NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21783 | 2i7k | 7287 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 0 1HT MET 0 -11.699 -28.521 -9.181 2 2H MET 0 2HT MET 0 -10.960 -27.083 -9.758 3 3H MET 0 3HT MET 0 -12.194 -26.999 -8.570 4 HA MET 0 HA MET 0 -10.867 -27.913 -6.943 5 1HB MET 0 2HB MET 0 -9.451 -28.957 -9.288 6 2HB MET 0 1HB MET 0 -8.368 -28.389 -8.026 7 1HG MET 0 2HG MET 0 -10.530 -29.999 -6.963 8 2HG MET 0 1HG MET 0 -9.582 -30.861 -8.173 9 1HE MET 0 1HE MET 0 -6.614 -31.828 -7.054 10 2HE MET 0 2HE MET 0 -8.213 -32.254 -7.661 11 3HE MET 0 3HE MET 0 -7.765 -32.653 -6.004 12 H GLU 1 H GLU 1 -9.433 -26.689 -5.719 13 HA GLU 1 HA GLU 1 -8.276 -24.872 -5.034 14 1HB GLU 1 2HB GLU 1 -7.401 -25.153 -7.848 15 2HB GLU 1 1HB GLU 1 -7.087 -23.604 -7.079 16 1HG GLU 1 2HG GLU 1 -6.167 -25.158 -5.149 17 2HG GLU 1 1HG GLU 1 -5.963 -26.285 -6.491 18 H GLU 2 H GLU 2 -9.555 -23.368 -4.273 19 HA GLU 2 HA GLU 2 -10.251 -21.073 -5.784 20 1HB GLU 2 2HB GLU 2 -12.033 -23.003 -6.297 21 2HB GLU 2 1HB GLU 2 -12.735 -22.387 -4.808 22 1HG GLU 2 2HG GLU 2 -13.732 -20.824 -6.009 23 2HG GLU 2 1HG GLU 2 -12.145 -20.121 -6.313 24 H VAL 3 H VAL 3 -11.146 -23.025 -2.948 25 HA VAL 3 HA VAL 3 -11.871 -20.824 -1.313 26 HB VAL 3 HB VAL 3 -11.648 -22.449 0.585 27 1HG1 VAL 3 1HG1 VAL 3 -13.489 -23.978 -0.342 28 2HG1 VAL 3 2HG1 VAL 3 -13.343 -23.027 -1.819 29 3HG1 VAL 3 3HG1 VAL 3 -13.791 -22.240 -0.305 30 1HG2 VAL 3 1HG2 VAL 3 -9.921 -23.806 -0.970 31 2HG2 VAL 3 2HG2 VAL 3 -11.399 -24.713 -1.295 32 3HG2 VAL 3 3HG2 VAL 3 -10.816 -24.539 0.360 33 H GLU 4 H GLU 4 -8.794 -22.063 -2.219 34 HA GLU 4 HA GLU 4 -7.374 -21.297 0.134 35 1HB GLU 4 2HB GLU 4 -6.633 -22.215 -2.596 36 2HB GLU 4 1HB GLU 4 -5.415 -21.338 -1.680 37 1HG GLU 4 2HG GLU 4 -6.860 -23.631 -0.430 38 2HG GLU 4 1HG GLU 4 -5.523 -23.919 -1.542 39 H GLN 5 H GLN 5 -8.730 -19.471 -2.390 40 HA GLN 5 HA GLN 5 -6.782 -17.359 -2.402 41 1HB GLN 5 2HB GLN 5 -9.533 -17.686 -3.569 42 2HB GLN 5 1HB GLN 5 -8.704 -16.136 -3.613 43 1HG GLN 5 2HG GLN 5 -7.825 -16.824 -5.530 44 2HG GLN 5 1HG GLN 5 -6.797 -17.869 -4.550 45 1HE2 GLN 5 1HE2 GLN 5 -7.028 -20.026 -4.682 46 2HE2 GLN 5 2HE2 GLN 5 -8.200 -20.824 -5.669 47 H THR 6 H THR 6 -9.792 -18.024 -0.716 48 HA THR 6 HA THR 6 -10.334 -15.463 0.260 49 HB THR 6 HB THR 6 -11.020 -17.473 2.218 50 HG1 THR 6 1HG THR 6 -11.939 -18.060 -0.395 51 1HG2 THR 6 1HG2 THR 6 -12.905 -16.330 2.244 52 2HG2 THR 6 2HG2 THR 6 -13.204 -16.673 0.540 53 3HG2 THR 6 3HG2 THR 6 -12.227 -15.280 1.002 54 HA PRO 7 HA PRO 7 -7.824 -16.840 4.315 55 1HB PRO 7 2HB PRO 7 -5.843 -18.534 2.867 56 2HB PRO 7 1HB PRO 7 -6.500 -18.714 4.498 57 1HG PRO 7 2HG PRO 7 -7.334 -20.281 2.518 58 2HG PRO 7 1HG PRO 7 -8.467 -19.680 3.743 59 1HD PRO 7 2HD PRO 7 -8.084 -18.804 0.919 60 2HD PRO 7 1HD PRO 7 -9.572 -18.894 1.884 61 H LEU 8 H LEU 8 -6.126 -16.738 1.175 62 HA LEU 8 HA LEU 8 -3.892 -15.268 2.007 63 1HB LEU 8 2HB LEU 8 -4.895 -16.284 -0.421 64 2HB LEU 8 1HB LEU 8 -4.666 -14.566 -0.684 65 HG LEU 8 HG LEU 8 -2.693 -15.787 -1.378 66 1HD1 LEU 8 1HD1 LEU 8 -2.008 -13.715 -0.687 67 2HD1 LEU 8 2HD1 LEU 8 -1.047 -14.744 0.373 68 3HD1 LEU 8 3HD1 LEU 8 -2.514 -13.978 0.981 69 1HD2 LEU 8 1HD2 LEU 8 -1.985 -16.627 1.367 70 2HD2 LEU 8 2HD2 LEU 8 -1.631 -17.387 -0.184 71 3HD2 LEU 8 3HD2 LEU 8 -3.228 -17.567 0.541 72 H GLN 9 H GLN 9 -7.051 -14.198 0.801 73 HA GLN 9 HA GLN 9 -6.513 -11.450 0.644 74 1HB GLN 9 2HB GLN 9 -8.559 -12.742 -0.208 75 2HB GLN 9 1HB GLN 9 -9.190 -12.590 1.426 76 1HG GLN 9 2HG GLN 9 -8.759 -10.069 1.119 77 2HG GLN 9 1HG GLN 9 -8.668 -10.455 -0.599 78 1HE2 GLN 9 1HE2 GLN 9 -10.529 -11.439 -1.591 79 2HE2 GLN 9 2HE2 GLN 9 -12.104 -11.123 -0.959 80 H GLU 10 H GLU 10 -7.536 -13.472 3.354 81 HA GLU 10 HA GLU 10 -8.143 -11.430 5.181 82 1HB GLU 10 2HB GLU 10 -8.663 -13.892 5.421 83 2HB GLU 10 1HB GLU 10 -6.982 -14.130 5.878 84 1HG GLU 10 2HG GLU 10 -7.550 -12.251 7.635 85 2HG GLU 10 1HG GLU 10 -9.194 -12.830 7.372 86 H ALA 11 H ALA 11 -5.100 -13.182 4.587 87 HA ALA 11 HA ALA 11 -3.569 -11.930 6.584 88 1HB ALA 11 1HB ALA 11 -2.439 -13.737 5.805 89 2HB ALA 11 2HB ALA 11 -1.670 -12.512 4.796 90 3HB ALA 11 3HB ALA 11 -2.976 -13.499 4.142 91 H LEU 12 H LEU 12 -3.982 -11.128 3.141 92 HA LEU 12 HA LEU 12 -2.261 -8.911 3.097 93 1HB LEU 12 2HB LEU 12 -4.418 -9.966 1.380 94 2HB LEU 12 1HB LEU 12 -4.091 -8.251 1.213 95 HG LEU 12 HG LEU 12 -1.635 -8.926 0.895 96 1HD1 LEU 12 1HD1 LEU 12 -1.542 -11.260 -0.199 97 2HD1 LEU 12 2HD1 LEU 12 -3.002 -11.582 0.732 98 3HD1 LEU 12 3HD1 LEU 12 -1.511 -11.142 1.559 99 1HD2 LEU 12 1HD2 LEU 12 -3.796 -8.657 -0.881 100 2HD2 LEU 12 2HD2 LEU 12 -2.838 -10.018 -1.464 101 3HD2 LEU 12 3HD2 LEU 12 -2.080 -8.446 -1.227 102 H ASN 13 H ASN 13 -5.730 -9.156 3.814 103 HA ASN 13 HA ASN 13 -6.290 -6.418 4.007 104 1HB ASN 13 2HB ASN 13 -7.558 -8.917 4.972 105 2HB ASN 13 1HB ASN 13 -8.004 -7.447 5.832 106 1HD2 ASN 13 1HD2 ASN 13 -9.391 -9.311 3.865 107 2HD2 ASN 13 2HD2 ASN 13 -10.071 -8.238 2.695 108 H GLN 14 H GLN 14 -4.912 -8.684 6.322 109 HA GLN 14 HA GLN 14 -5.040 -7.026 8.603 110 1HB GLN 14 2HB GLN 14 -3.922 -9.585 7.900 111 2HB GLN 14 1HB GLN 14 -2.746 -8.660 8.821 112 1HG GLN 14 2HG GLN 14 -3.934 -8.785 10.726 113 2HG GLN 14 1HG GLN 14 -5.484 -8.658 9.893 114 1HE2 GLN 14 1HE2 GLN 14 -6.694 -10.403 10.008 115 2HE2 GLN 14 2HE2 GLN 14 -6.131 -12.030 10.167 116 H LEU 15 H LEU 15 -2.524 -7.517 6.144 117 HA LEU 15 HA LEU 15 -0.550 -5.876 7.282 118 1HB LEU 15 2HB LEU 15 -0.967 -6.161 4.315 119 2HB LEU 15 1HB LEU 15 0.536 -5.902 5.179 120 HG LEU 15 HG LEU 15 -1.083 -8.446 5.073 121 1HD1 LEU 15 1HD1 LEU 15 1.772 -8.362 4.357 122 2HD1 LEU 15 2HD1 LEU 15 0.672 -7.530 3.259 123 3HD1 LEU 15 3HD1 LEU 15 0.435 -9.240 3.616 124 1HD2 LEU 15 1HD2 LEU 15 0.376 -9.447 6.606 125 2HD2 LEU 15 2HD2 LEU 15 -0.015 -7.890 7.335 126 3HD2 LEU 15 3HD2 LEU 15 1.529 -8.118 6.515 127 H MET 16 H MET 16 -3.141 -5.121 4.969 128 HA MET 16 HA MET 16 -2.451 -2.393 4.638 129 1HB MET 16 2HB MET 16 -4.600 -4.166 3.799 130 2HB MET 16 1HB MET 16 -5.195 -2.559 4.192 131 1HG MET 16 2HG MET 16 -4.701 -2.606 1.873 132 2HG MET 16 1HG MET 16 -3.471 -1.621 2.662 133 1HE MET 16 1HE MET 16 -0.822 -2.986 3.295 134 2HE MET 16 2HE MET 16 -1.299 -1.680 2.207 135 3HE MET 16 3HE MET 16 -0.289 -2.999 1.614 136 H ARG 17 H ARG 17 -4.713 -4.047 6.822 137 HA ARG 17 HA ARG 17 -5.832 -1.718 7.961 138 1HB ARG 17 2HB ARG 17 -5.675 -4.593 8.756 139 2HB ARG 17 1HB ARG 17 -6.186 -3.419 9.961 140 1HG ARG 17 2HG ARG 17 -7.697 -2.764 7.747 141 2HG ARG 17 1HG ARG 17 -7.636 -4.527 7.706 142 1HD ARG 17 2HD ARG 17 -8.099 -3.512 10.385 143 2HD ARG 17 1HD ARG 17 -9.326 -2.959 9.249 144 HE ARG 17 HE ARG 17 -8.944 -5.629 10.223 145 1HH1 ARG 17 1HH1 ARG 17 -10.203 -3.727 7.567 146 2HH1 ARG 17 2HH1 ARG 17 -11.327 -4.943 7.066 147 1HH2 ARG 17 1HH2 ARG 17 -10.425 -7.232 9.555 148 2HH2 ARG 17 2HH2 ARG 17 -11.455 -6.935 8.195 149 H GLN 18 H GLN 18 -3.113 -3.771 8.993 150 HA GLN 18 HA GLN 18 -2.520 -2.266 11.328 151 1HB GLN 18 2HB GLN 18 -1.707 -4.678 10.362 152 2HB GLN 18 1HB GLN 18 -0.289 -3.695 10.028 153 1HG GLN 18 2HG GLN 18 -0.631 -2.946 12.525 154 2HG GLN 18 1HG GLN 18 -1.482 -4.486 12.629 155 1HE2 GLN 18 1HE2 GLN 18 -0.013 -6.084 10.986 156 2HE2 GLN 18 2HE2 GLN 18 1.587 -6.261 11.611 157 H LEU 19 H LEU 19 -1.336 -2.191 8.002 158 HA LEU 19 HA LEU 19 0.718 -0.292 8.407 159 1HB LEU 19 2HB LEU 19 0.928 -1.500 6.443 160 2HB LEU 19 1HB LEU 19 -0.768 -1.346 6.039 161 HG LEU 19 HG LEU 19 0.766 1.176 6.024 162 1HD1 LEU 19 1HD1 LEU 19 2.495 0.138 4.961 163 2HD1 LEU 19 2HD1 LEU 19 1.443 0.449 3.581 164 3HD1 LEU 19 3HD1 LEU 19 1.478 -1.152 4.320 165 1HD2 LEU 19 1HD2 LEU 19 -1.682 0.227 5.085 166 2HD2 LEU 19 2HD2 LEU 19 -0.697 0.467 3.641 167 3HD2 LEU 19 3HD2 LEU 19 -0.955 1.801 4.764 168 H GLN 20 H GLN 20 -2.683 0.035 7.432 169 HA GLN 20 HA GLN 20 -2.604 2.833 6.999 170 1HB GLN 20 2HB GLN 20 -4.688 0.754 7.195 171 2HB GLN 20 1HB GLN 20 -5.213 2.366 7.654 172 1HG GLN 20 2HG GLN 20 -4.681 3.247 5.525 173 2HG GLN 20 1HG GLN 20 -3.806 1.789 5.065 174 1HE2 GLN 20 1HE2 GLN 20 -4.879 0.201 4.062 175 2HE2 GLN 20 2HE2 GLN 20 -6.585 0.165 3.807 176 H ARG 21 H ARG 21 -3.248 0.843 9.834 177 HA ARG 21 HA ARG 21 -4.246 2.838 11.545 178 1HB ARG 21 2HB ARG 21 -3.317 0.088 11.774 179 2HB ARG 21 1HB ARG 21 -2.908 1.045 13.189 180 1HG ARG 21 2HG ARG 21 -5.666 1.368 12.234 181 2HG ARG 21 1HG ARG 21 -5.256 -0.243 12.823 182 1HD ARG 21 2HD ARG 21 -4.148 1.362 14.740 183 2HD ARG 21 1HD ARG 21 -5.584 2.276 14.287 184 HE ARG 21 HE ARG 21 -6.878 0.681 15.292 185 1HH1 ARG 21 1HH1 ARG 21 -3.661 -0.629 14.838 186 2HH1 ARG 21 2HH1 ARG 21 -3.970 -2.047 15.782 187 1HH2 ARG 21 1HH2 ARG 21 -7.280 -1.193 16.535 188 2HH2 ARG 21 2HH2 ARG 21 -6.026 -2.367 16.745 189 H LYS 22 H LYS 22 -1.057 2.352 10.370 190 HA LYS 22 HA LYS 22 0.609 3.103 12.402 191 1HB LYS 22 2HB LYS 22 0.991 2.630 9.803 192 2HB LYS 22 1HB LYS 22 1.089 4.383 9.755 193 1HG LYS 22 2HG LYS 22 2.693 2.987 11.817 194 2HG LYS 22 1HG LYS 22 3.207 2.838 10.137 195 1HD LYS 22 2HD LYS 22 3.860 4.989 10.010 196 2HD LYS 22 1HD LYS 22 2.506 5.564 10.984 197 1HE LYS 22 2HE LYS 22 3.875 4.276 12.884 198 2HE LYS 22 1HE LYS 22 5.212 4.686 11.809 199 1HZ LYS 22 1HZ LYS 22 4.916 6.417 13.425 200 2HZ LYS 22 2HZ LYS 22 3.280 6.584 13.031 201 3HZ LYS 22 3HZ LYS 22 4.468 7.018 11.908 202 H ASP 23 H ASP 23 -0.421 5.540 9.984 203 HA ASP 23 HA ASP 23 -1.626 7.391 11.552 204 1HB ASP 23 2HB ASP 23 1.058 7.202 12.396 205 2HB ASP 23 1HB ASP 23 0.904 8.731 11.539 206 HA PRO 24 HA PRO 24 0.510 9.791 7.863 207 1HB PRO 24 2HB PRO 24 1.841 7.509 6.523 208 2HB PRO 24 1HB PRO 24 2.428 9.150 6.797 209 1HG PRO 24 2HG PRO 24 3.388 7.098 8.207 210 2HG PRO 24 1HG PRO 24 3.124 8.683 8.956 211 1HD PRO 24 2HD PRO 24 1.465 6.206 9.143 212 2HD PRO 24 1HD PRO 24 1.885 7.387 10.397 213 H SER 25 H SER 25 -0.467 6.409 7.434 214 HA SER 25 HA SER 25 -1.591 6.691 4.864 215 1HB SER 25 2HB SER 25 -0.992 4.517 5.996 216 2HB SER 25 1HB SER 25 -2.457 4.695 6.959 217 HG SER 25 HG SER 25 -2.274 3.627 4.595 218 H ALA 26 H ALA 26 -2.768 7.621 7.988 219 HA ALA 26 HA ALA 26 -5.522 7.508 7.657 220 1HB ALA 26 1HB ALA 26 -5.669 8.816 9.511 221 2HB ALA 26 2HB ALA 26 -4.407 9.923 8.968 222 3HB ALA 26 3HB ALA 26 -3.972 8.353 9.644 223 H PHE 27 H PHE 27 -3.198 9.783 6.332 224 HA PHE 27 HA PHE 27 -5.227 11.581 5.339 225 1HB PHE 27 2HB PHE 27 -2.252 11.472 4.809 226 2HB PHE 27 1HB PHE 27 -3.328 12.761 4.283 227 HD1 PHE 27 2HD PHE 27 -4.991 13.264 6.589 228 HD2 PHE 27 1HD PHE 27 -0.841 12.346 6.403 229 HE1 PHE 27 2HE PHE 27 -4.642 14.430 8.727 230 HE2 PHE 27 1HE PHE 27 -0.484 13.508 8.541 231 HZ PHE 27 HZ PHE 27 -2.385 14.554 9.705 232 H PHE 28 H PHE 28 -3.309 8.909 4.098 233 HA PHE 28 HA PHE 28 -4.428 9.342 1.415 234 1HB PHE 28 2HB PHE 28 -2.228 7.440 2.254 235 2HB PHE 28 1HB PHE 28 -2.721 7.811 0.607 236 HD1 PHE 28 1HD PHE 28 -2.855 10.615 0.388 237 HD2 PHE 28 2HD PHE 28 -0.156 8.292 2.720 238 HE1 PHE 28 1HE PHE 28 -1.217 12.448 0.312 239 HE2 PHE 28 2HE PHE 28 1.486 10.122 2.648 240 HZ PHE 28 HZ PHE 28 0.957 12.203 1.442 241 H SER 29 H SER 29 -5.903 8.210 3.763 242 HA SER 29 HA SER 29 -6.299 5.427 3.029 243 1HB SER 29 2HB SER 29 -6.233 6.080 5.413 244 2HB SER 29 1HB SER 29 -7.662 7.083 5.169 245 HG SER 29 HG SER 29 -7.439 4.337 5.399 246 H PHE 30 H PHE 30 -7.161 7.897 1.366 247 HA PHE 30 HA PHE 30 -9.724 6.794 0.580 248 1HB PHE 30 2HB PHE 30 -9.489 9.230 2.110 249 2HB PHE 30 1HB PHE 30 -10.124 9.588 0.510 250 HD1 PHE 30 1HD PHE 30 -10.658 7.451 3.493 251 HD2 PHE 30 2HD PHE 30 -12.366 9.177 -0.003 252 HE1 PHE 30 1HE PHE 30 -12.891 6.723 4.229 253 HE2 PHE 30 2HE PHE 30 -14.601 8.453 0.726 254 HZ PHE 30 HZ PHE 30 -14.866 7.225 2.845 255 HA PRO 31 HA PRO 31 -8.190 7.554 -3.495 256 1HB PRO 31 2HB PRO 31 -10.539 8.401 -4.720 257 2HB PRO 31 1HB PRO 31 -10.053 6.717 -4.501 258 1HG PRO 31 2HG PRO 31 -11.924 8.382 -2.872 259 2HG PRO 31 1HG PRO 31 -12.049 6.673 -3.331 260 1HD PRO 31 2HD PRO 31 -11.293 7.396 -0.870 261 2HD PRO 31 1HD PRO 31 -10.565 5.994 -1.680 262 H VAL 32 H VAL 32 -6.877 9.275 -3.723 263 HA VAL 32 HA VAL 32 -7.393 11.870 -2.897 264 HB VAL 32 HB VAL 32 -5.599 12.525 -4.646 265 1HG1 VAL 32 1HG1 VAL 32 -5.146 10.712 -2.292 266 2HG1 VAL 32 2HG1 VAL 32 -5.052 12.472 -2.356 267 3HG1 VAL 32 3HG1 VAL 32 -3.828 11.494 -3.166 268 1HG2 VAL 32 1HG2 VAL 32 -6.097 9.929 -5.480 269 2HG2 VAL 32 2HG2 VAL 32 -4.544 9.845 -4.650 270 3HG2 VAL 32 3HG2 VAL 32 -4.771 10.970 -5.989 271 H THR 33 H THR 33 -7.964 13.770 -3.929 272 HA THR 33 HA THR 33 -9.073 13.587 -6.628 273 HB THR 33 HB THR 33 -11.117 14.824 -5.857 274 HG1 THR 33 1HG THR 33 -10.383 14.010 -3.254 275 1HG2 THR 33 1HG2 THR 33 -11.170 12.353 -4.247 276 2HG2 THR 33 2HG2 THR 33 -10.819 12.189 -5.967 277 3HG2 THR 33 3HG2 THR 33 -12.315 12.962 -5.440 278 H ASP 34 H ASP 34 -10.191 16.099 -6.800 279 HA ASP 34 HA ASP 34 -7.887 17.743 -7.080 280 1HB ASP 34 2HB ASP 34 -10.297 17.697 -8.293 281 2HB ASP 34 1HB ASP 34 -10.568 19.007 -7.153 282 H PHE 35 H PHE 35 -9.726 17.037 -4.370 283 HA PHE 35 HA PHE 35 -9.039 19.608 -3.104 284 1HB PHE 35 2HB PHE 35 -11.223 17.711 -2.225 285 2HB PHE 35 1HB PHE 35 -10.915 19.335 -1.623 286 HD1 PHE 35 1HD PHE 35 -11.649 17.592 -4.843 287 HD2 PHE 35 2HD PHE 35 -12.234 21.040 -2.415 288 HE1 PHE 35 1HE PHE 35 -13.198 18.507 -6.521 289 HE2 PHE 35 2HE PHE 35 -13.784 21.959 -4.087 290 HZ PHE 35 HZ PHE 35 -14.269 20.694 -6.145 291 H ILE 36 H ILE 36 -9.363 16.115 -2.612 292 HA ILE 36 HA ILE 36 -8.065 16.053 -0.091 293 HB ILE 36 HB ILE 36 -8.769 13.980 -2.142 294 1HG1 ILE 36 2HG1 ILE 36 -9.491 14.067 0.778 295 2HG1 ILE 36 1HG1 ILE 36 -10.388 14.996 -0.419 296 1HG2 ILE 36 1HG2 ILE 36 -6.700 13.144 -1.409 297 2HG2 ILE 36 2HG2 ILE 36 -7.925 12.271 -0.488 298 3HG2 ILE 36 3HG2 ILE 36 -7.025 13.587 0.266 299 1HD1 ILE 36 1HD1 ILE 36 -11.089 13.024 -1.536 300 2HD1 ILE 36 2HD1 ILE 36 -11.383 12.790 0.187 301 3HD1 ILE 36 3HD1 ILE 36 -9.996 12.022 -0.582 302 H ALA 37 H ALA 37 -6.977 15.989 -3.417 303 HA ALA 37 HA ALA 37 -4.186 15.844 -2.470 304 1HB ALA 37 1HB ALA 37 -4.245 13.880 -3.621 305 2HB ALA 37 2HB ALA 37 -3.872 14.969 -4.953 306 3HB ALA 37 3HB ALA 37 -5.529 14.423 -4.701 307 HA PRO 38 HA PRO 38 -3.537 19.655 -4.572 308 1HB PRO 38 2HB PRO 38 -0.961 19.479 -5.343 309 2HB PRO 38 1HB PRO 38 -1.434 19.698 -3.657 310 1HG PRO 38 2HG PRO 38 -0.600 17.214 -5.093 311 2HG PRO 38 1HG PRO 38 -0.197 17.749 -3.452 312 1HD PRO 38 2HD PRO 38 -2.112 15.882 -4.009 313 2HD PRO 38 1HD PRO 38 -2.147 16.924 -2.576 314 H GLY 39 H GLY 39 -3.697 16.901 -6.239 315 1HA GLY 39 2HA GLY 39 -4.713 17.403 -8.543 316 2HA GLY 39 1HA GLY 39 -3.136 18.117 -8.852 317 H TYR 40 H TYR 40 -3.709 15.177 -6.985 318 HA TYR 40 HA TYR 40 -1.733 13.669 -8.228 319 1HB TYR 40 2HB TYR 40 -4.137 12.979 -6.584 320 2HB TYR 40 1HB TYR 40 -3.272 11.679 -7.397 321 HD1 TYR 40 2HD TYR 40 -2.010 14.765 -5.712 322 HD2 TYR 40 1HD TYR 40 -2.107 10.505 -5.749 323 HE1 TYR 40 2HE TYR 40 -0.384 14.714 -3.874 324 HE2 TYR 40 1HE TYR 40 -0.489 10.452 -3.909 325 HH TYR 40 HH TYR 40 0.711 11.649 -2.457 326 H SER 41 H SER 41 -5.235 13.705 -8.899 327 HA SER 41 HA SER 41 -5.191 11.777 -10.944 328 1HB SER 41 2HB SER 41 -7.104 13.985 -10.237 329 2HB SER 41 1HB SER 41 -7.357 12.997 -11.677 330 HG SER 41 HG SER 41 -8.321 11.739 -10.278 331 H MET 42 H MET 42 -4.306 15.148 -10.994 332 HA MET 42 HA MET 42 -4.494 15.372 -13.865 333 1HB MET 42 2HB MET 42 -3.550 17.204 -11.680 334 2HB MET 42 1HB MET 42 -3.298 17.599 -13.374 335 1HG MET 42 2HG MET 42 -5.517 17.963 -13.767 336 2HG MET 42 1HG MET 42 -6.037 16.870 -12.485 337 1HE MET 42 1HE MET 42 -7.810 18.718 -12.314 338 2HE MET 42 2HE MET 42 -7.663 20.003 -11.116 339 3HE MET 42 3HE MET 42 -7.567 18.315 -10.615 340 H ILE 43 H ILE 43 -1.892 14.975 -11.479 341 HA ILE 43 HA ILE 43 0.055 14.864 -13.678 342 HB ILE 43 HB ILE 43 0.486 16.430 -11.806 343 1HG1 ILE 43 2HG1 ILE 43 2.748 14.598 -11.493 344 2HG1 ILE 43 1HG1 ILE 43 2.249 14.797 -13.170 345 1HG2 ILE 43 1HG2 ILE 43 1.113 14.031 -10.120 346 2HG2 ILE 43 2HG2 ILE 43 -0.440 14.861 -10.053 347 3HG2 ILE 43 3HG2 ILE 43 1.038 15.725 -9.644 348 1HD1 ILE 43 1HD1 ILE 43 3.425 16.759 -11.290 349 2HD1 ILE 43 2HD1 ILE 43 2.291 17.348 -12.504 350 3HD1 ILE 43 3HD1 ILE 43 3.750 16.492 -13.002 351 H ILE 44 H ILE 44 -0.870 13.046 -10.756 352 HA ILE 44 HA ILE 44 0.682 10.761 -11.711 353 HB ILE 44 HB ILE 44 -0.487 11.499 -9.040 354 1HG1 ILE 44 2HG1 ILE 44 1.772 12.256 -9.598 355 2HG1 ILE 44 1HG1 ILE 44 1.803 11.090 -8.282 356 1HG2 ILE 44 1HG2 ILE 44 -1.184 9.203 -9.348 357 2HG2 ILE 44 2HG2 ILE 44 0.132 9.273 -8.184 358 3HG2 ILE 44 3HG2 ILE 44 0.444 8.745 -9.836 359 1HD1 ILE 44 1HD1 ILE 44 3.486 10.218 -9.486 360 2HD1 ILE 44 2HD1 ILE 44 2.914 10.920 -10.997 361 3HD1 ILE 44 3HD1 ILE 44 2.175 9.446 -10.375 362 H LYS 45 H LYS 45 -0.582 10.004 -13.361 363 HA LYS 45 HA LYS 45 -3.337 9.728 -13.434 364 1HB LYS 45 2HB LYS 45 -1.193 9.080 -15.093 365 2HB LYS 45 1HB LYS 45 -2.018 7.552 -14.823 366 1HG LYS 45 2HG LYS 45 -4.124 8.566 -15.568 367 2HG LYS 45 1HG LYS 45 -3.278 10.087 -15.858 368 1HD LYS 45 2HD LYS 45 -3.128 9.272 -17.962 369 2HD LYS 45 1HD LYS 45 -1.726 8.429 -17.297 370 1HE LYS 45 2HE LYS 45 -3.869 6.778 -16.678 371 2HE LYS 45 1HE LYS 45 -4.241 7.370 -18.296 372 1HZ LYS 45 1HZ LYS 45 -2.271 6.473 -19.148 373 2HZ LYS 45 2HZ LYS 45 -2.862 5.268 -18.120 374 3HZ LYS 45 3HZ LYS 45 -1.583 6.253 -17.617 375 H HIS 46 H HIS 46 -0.939 7.277 -12.424 376 HA HIS 46 HA HIS 46 -3.171 5.734 -11.275 377 1HB HIS 46 2HB HIS 46 -1.062 4.945 -13.013 378 2HB HIS 46 1HB HIS 46 -0.799 4.149 -11.467 379 HD1 HIS 46 1HD HIS 46 -3.897 3.773 -10.823 380 HD2 HIS 46 2HD HIS 46 -1.958 2.696 -14.339 381 HE1 HIS 46 1HE HIS 46 -5.315 1.967 -11.848 382 HE2 HIS 46 2HE HIS 46 -4.167 1.390 -14.014 383 HA PRO 47 HA PRO 47 -0.616 7.123 -7.664 384 1HB PRO 47 2HB PRO 47 -2.668 7.987 -6.135 385 2HB PRO 47 1HB PRO 47 -1.909 9.007 -7.361 386 1HG PRO 47 2HG PRO 47 -4.479 7.496 -7.478 387 2HG PRO 47 1HG PRO 47 -4.086 9.099 -8.122 388 1HD PRO 47 2HD PRO 47 -4.183 6.803 -9.636 389 2HD PRO 47 1HD PRO 47 -3.239 8.242 -10.058 390 H MET 48 H MET 48 -3.744 5.454 -7.679 391 HA MET 48 HA MET 48 -4.591 3.720 -6.488 392 1HB MET 48 2HB MET 48 -1.803 3.008 -7.132 393 2HB MET 48 1HB MET 48 -2.532 2.061 -5.841 394 1HG MET 48 2HG MET 48 -4.012 2.465 -8.396 395 2HG MET 48 1HG MET 48 -2.718 1.273 -8.307 396 1HE MET 48 1HE MET 48 -5.682 -0.510 -8.749 397 2HE MET 48 2HE MET 48 -5.663 1.231 -9.021 398 3HE MET 48 3HE MET 48 -6.796 0.531 -7.864 399 H ASP 49 H ASP 49 -5.050 5.253 -4.754 400 HA ASP 49 HA ASP 49 -3.370 5.574 -2.507 401 1HB ASP 49 2HB ASP 49 -6.381 5.802 -2.696 402 2HB ASP 49 1HB ASP 49 -5.399 6.388 -1.357 403 H PHE 50 H PHE 50 -4.117 4.885 -0.257 404 HA PHE 50 HA PHE 50 -3.955 2.078 -0.070 405 1HB PHE 50 2HB PHE 50 -4.715 4.136 2.012 406 2HB PHE 50 1HB PHE 50 -4.406 2.437 2.361 407 HD1 PHE 50 2HD PHE 50 -2.874 5.579 1.191 408 HD2 PHE 50 1HD PHE 50 -2.199 1.586 2.493 409 HE1 PHE 50 2HE PHE 50 -0.475 6.060 1.396 410 HE2 PHE 50 1HE PHE 50 0.203 2.062 2.705 411 HZ PHE 50 HZ PHE 50 1.069 4.300 2.152 412 H SER 51 H SER 51 -6.682 4.277 -0.140 413 HA SER 51 HA SER 51 -8.624 2.404 0.797 414 1HB SER 51 2HB SER 51 -9.183 4.702 1.021 415 2HB SER 51 1HB SER 51 -8.840 5.031 -0.675 416 HG SER 51 HG SER 51 -10.700 4.039 -1.255 417 H THR 52 H THR 52 -7.524 3.445 -2.415 418 HA THR 52 HA THR 52 -9.453 1.943 -3.859 419 HB THR 52 HB THR 52 -6.788 2.558 -5.061 420 HG1 THR 52 1HG THR 52 -7.188 4.707 -5.123 421 1HG2 THR 52 1HG2 THR 52 -8.170 3.351 -6.930 422 2HG2 THR 52 2HG2 THR 52 -9.618 2.922 -6.017 423 3HG2 THR 52 3HG2 THR 52 -8.485 1.666 -6.517 424 H MET 53 H MET 53 -6.073 1.299 -2.938 425 HA MET 53 HA MET 53 -5.875 -1.184 -4.246 426 1HB MET 53 2HB MET 53 -3.875 -1.560 -2.979 427 2HB MET 53 1HB MET 53 -3.932 0.137 -3.425 428 1HG MET 53 2HG MET 53 -4.743 0.672 -1.163 429 2HG MET 53 1HG MET 53 -4.593 -1.031 -0.730 430 1HE MET 53 1HE MET 53 -0.797 -1.668 -0.785 431 2HE MET 53 2HE MET 53 -1.791 -1.849 -2.232 432 3HE MET 53 3HE MET 53 -2.423 -2.343 -0.661 433 H LYS 54 H LYS 54 -6.762 -0.413 -0.866 434 HA LYS 54 HA LYS 54 -7.008 -3.053 0.036 435 1HB LYS 54 2HB LYS 54 -8.350 -2.175 1.858 436 2HB LYS 54 1HB LYS 54 -6.985 -1.113 1.546 437 1HG LYS 54 2HG LYS 54 -8.379 0.494 0.482 438 2HG LYS 54 1HG LYS 54 -9.754 -0.609 0.481 439 1HD LYS 54 2HD LYS 54 -8.648 -0.183 3.140 440 2HD LYS 54 1HD LYS 54 -9.205 1.310 2.384 441 1HE LYS 54 2HE LYS 54 -11.343 0.751 2.665 442 2HE LYS 54 1HE LYS 54 -11.084 -0.846 1.965 443 1HZ LYS 54 1HZ LYS 54 -11.794 -1.197 4.161 444 2HZ LYS 54 2HZ LYS 54 -10.754 -0.021 4.790 445 3HZ LYS 54 3HZ LYS 54 -10.124 -1.473 4.194 446 H GLU 55 H GLU 55 -9.352 -0.967 -1.602 447 HA GLU 55 HA GLU 55 -11.597 -2.650 -1.318 448 1HB GLU 55 2HB GLU 55 -11.170 -0.168 -2.382 449 2HB GLU 55 1HB GLU 55 -11.412 -1.126 -3.837 450 1HG GLU 55 2HG GLU 55 -13.514 -2.008 -2.624 451 2HG GLU 55 1HG GLU 55 -13.306 -0.597 -1.587 452 H LYS 56 H LYS 56 -8.985 -2.514 -3.679 453 HA LYS 56 HA LYS 56 -10.061 -4.435 -5.469 454 1HB LYS 56 2HB LYS 56 -7.719 -2.821 -5.292 455 2HB LYS 56 1HB LYS 56 -7.212 -4.483 -5.550 456 1HG LYS 56 2HG LYS 56 -7.497 -4.013 -7.710 457 2HG LYS 56 1HG LYS 56 -9.213 -4.249 -7.373 458 1HD LYS 56 2HD LYS 56 -9.649 -1.984 -7.333 459 2HD LYS 56 1HD LYS 56 -7.982 -1.564 -6.930 460 1HE LYS 56 2HE LYS 56 -7.271 -1.731 -9.110 461 2HE LYS 56 1HE LYS 56 -8.549 -2.861 -9.553 462 1HZ LYS 56 1HZ LYS 56 -8.578 0.048 -9.506 463 2HZ LYS 56 2HZ LYS 56 -9.998 -0.712 -8.991 464 3HZ LYS 56 3HZ LYS 56 -9.384 -1.027 -10.535 465 H ILE 57 H ILE 57 -8.029 -4.658 -2.581 466 HA ILE 57 HA ILE 57 -7.215 -7.332 -2.852 467 HB ILE 57 HB ILE 57 -7.863 -6.135 -0.167 468 1HG1 ILE 57 2HG1 ILE 57 -5.466 -5.553 -1.916 469 2HG1 ILE 57 1HG1 ILE 57 -6.626 -4.399 -1.276 470 1HG2 ILE 57 1HG2 ILE 57 -5.761 -8.072 -1.123 471 2HG2 ILE 57 2HG2 ILE 57 -7.199 -8.456 -0.175 472 3HG2 ILE 57 3HG2 ILE 57 -5.914 -7.474 0.530 473 1HD1 ILE 57 1HD1 ILE 57 -5.764 -5.348 1.028 474 2HD1 ILE 57 2HD1 ILE 57 -4.915 -4.063 0.170 475 3HD1 ILE 57 3HD1 ILE 57 -4.343 -5.726 0.055 476 H LYS 58 H LYS 58 -10.132 -5.914 -1.420 477 HA LYS 58 HA LYS 58 -11.239 -8.271 -0.374 478 1HB LYS 58 2HB LYS 58 -12.588 -5.778 -1.416 479 2HB LYS 58 1HB LYS 58 -13.423 -7.058 -0.544 480 1HG LYS 58 2HG LYS 58 -11.288 -6.445 1.096 481 2HG LYS 58 1HG LYS 58 -11.792 -4.879 0.456 482 1HD LYS 58 2HD LYS 58 -14.198 -5.890 1.051 483 2HD LYS 58 1HD LYS 58 -13.228 -6.765 2.237 484 1HE LYS 58 2HE LYS 58 -13.323 -3.770 1.881 485 2HE LYS 58 1HE LYS 58 -14.109 -4.685 3.167 486 1HZ LYS 58 1HZ LYS 58 -11.288 -4.017 2.819 487 2HZ LYS 58 2HZ LYS 58 -11.637 -5.523 3.504 488 3HZ LYS 58 3HZ LYS 58 -12.211 -4.110 4.233 489 H ASN 59 H ASN 59 -10.943 -7.224 -3.662 490 HA ASN 59 HA ASN 59 -12.930 -9.188 -4.561 491 1HB ASN 59 2HB ASN 59 -11.761 -6.709 -5.730 492 2HB ASN 59 1HB ASN 59 -12.249 -7.985 -6.839 493 1HD2 ASN 59 1HD2 ASN 59 -13.482 -6.239 -3.999 494 2HD2 ASN 59 2HD2 ASN 59 -15.105 -6.111 -4.577 495 H ASN 60 H ASN 60 -10.097 -9.727 -3.577 496 HA ASN 60 HA ASN 60 -8.383 -11.126 -4.045 497 1HB ASN 60 2HB ASN 60 -10.635 -12.185 -5.448 498 2HB ASN 60 1HB ASN 60 -9.199 -12.417 -6.439 499 1HD2 ASN 60 1HD2 ASN 60 -10.482 -12.896 -3.189 500 2HD2 ASN 60 2HD2 ASN 60 -9.547 -14.304 -2.834 501 H ASP 61 H ASP 61 -8.712 -8.454 -5.486 502 HA ASP 61 HA ASP 61 -7.287 -8.771 -7.953 503 1HB ASP 61 2HB ASP 61 -8.774 -6.748 -6.910 504 2HB ASP 61 1HB ASP 61 -7.151 -6.158 -6.567 505 H TYR 62 H TYR 62 -6.497 -8.302 -4.597 506 HA TYR 62 HA TYR 62 -3.631 -8.266 -5.260 507 1HB TYR 62 2HB TYR 62 -5.121 -7.112 -2.903 508 2HB TYR 62 1HB TYR 62 -3.375 -7.332 -2.908 509 HD1 TYR 62 1HD TYR 62 -2.035 -6.141 -4.739 510 HD2 TYR 62 2HD TYR 62 -6.080 -5.201 -3.830 511 HE1 TYR 62 1HE TYR 62 -1.765 -3.954 -5.825 512 HE2 TYR 62 2HE TYR 62 -5.821 -3.013 -4.915 513 HH TYR 62 HH TYR 62 -3.922 -2.181 -6.953 514 H GLN 63 H GLN 63 -2.961 -10.311 -5.135 515 HA GLN 63 HA GLN 63 -3.237 -11.720 -2.609 516 1HB GLN 63 2HB GLN 63 -5.074 -12.395 -4.394 517 2HB GLN 63 1HB GLN 63 -3.752 -13.336 -5.072 518 1HG GLN 63 2HG GLN 63 -3.551 -14.063 -2.498 519 2HG GLN 63 1HG GLN 63 -5.280 -13.726 -2.583 520 1HE2 GLN 63 1HE2 GLN 63 -2.733 -15.843 -3.507 521 2HE2 GLN 63 2HE2 GLN 63 -3.710 -17.028 -4.295 522 H SER 64 H SER 64 -1.166 -10.367 -4.303 523 HA SER 64 HA SER 64 0.831 -12.459 -4.109 524 1HB SER 64 2HB SER 64 0.146 -12.602 -6.448 525 2HB SER 64 1HB SER 64 0.381 -10.865 -6.646 526 HG SER 64 HG SER 64 2.274 -12.914 -6.424 527 H ILE 65 H ILE 65 2.771 -11.719 -3.537 528 HA ILE 65 HA ILE 65 3.045 -9.270 -2.262 529 HB ILE 65 HB ILE 65 5.543 -9.759 -2.392 530 1HG1 ILE 65 2HG1 ILE 65 4.643 -12.451 -3.399 531 2HG1 ILE 65 1HG1 ILE 65 5.253 -11.207 -4.485 532 1HG2 ILE 65 1HG2 ILE 65 3.695 -10.547 -0.667 533 2HG2 ILE 65 2HG2 ILE 65 5.378 -11.054 -0.534 534 3HG2 ILE 65 3HG2 ILE 65 4.188 -12.132 -1.260 535 1HD1 ILE 65 1HD1 ILE 65 6.965 -11.768 -2.175 536 2HD1 ILE 65 2HD1 ILE 65 7.378 -11.553 -3.876 537 3HD1 ILE 65 3HD1 ILE 65 6.768 -13.108 -3.306 538 H GLU 66 H GLU 66 3.857 -10.214 -5.559 539 HA GLU 66 HA GLU 66 5.308 -7.861 -6.229 540 1HB GLU 66 2HB GLU 66 5.482 -10.010 -7.464 541 2HB GLU 66 1HB GLU 66 3.841 -9.780 -8.053 542 1HG GLU 66 2HG GLU 66 4.639 -7.627 -9.087 543 2HG GLU 66 1HG GLU 66 6.276 -8.142 -8.688 544 H GLU 67 H GLU 67 1.920 -8.828 -6.537 545 HA GLU 67 HA GLU 67 1.059 -6.596 -8.047 546 1HB GLU 67 2HB GLU 67 -0.233 -8.683 -7.867 547 2HB GLU 67 1HB GLU 67 -0.505 -8.372 -6.158 548 1HG GLU 67 2HG GLU 67 -2.478 -7.654 -7.073 549 2HG GLU 67 1HG GLU 67 -1.561 -6.151 -7.012 550 H LEU 68 H LEU 68 1.002 -7.285 -4.561 551 HA LEU 68 HA LEU 68 -0.198 -4.867 -3.767 552 1HB LEU 68 2HB LEU 68 1.198 -7.096 -2.466 553 2HB LEU 68 1HB LEU 68 1.361 -5.567 -1.624 554 HG LEU 68 HG LEU 68 -1.188 -7.044 -2.263 555 1HD1 LEU 68 1HD1 LEU 68 -0.328 -7.956 -0.319 556 2HD1 LEU 68 2HD1 LEU 68 -1.379 -6.682 0.296 557 3HD1 LEU 68 3HD1 LEU 68 0.363 -6.425 0.218 558 1HD2 LEU 68 1HD2 LEU 68 -1.995 -4.940 -2.556 559 2HD2 LEU 68 2HD2 LEU 68 -0.716 -4.192 -1.601 560 3HD2 LEU 68 3HD2 LEU 68 -2.059 -5.003 -0.796 561 H LYS 69 H LYS 69 3.231 -5.814 -3.947 562 HA LYS 69 HA LYS 69 4.278 -3.394 -2.977 563 1HB LYS 69 2HB LYS 69 5.323 -5.793 -4.292 564 2HB LYS 69 1HB LYS 69 6.242 -4.337 -4.652 565 1HG LYS 69 2HG LYS 69 6.932 -4.064 -2.490 566 2HG LYS 69 1HG LYS 69 5.532 -4.902 -1.820 567 1HD LYS 69 2HD LYS 69 7.237 -6.424 -1.461 568 2HD LYS 69 1HD LYS 69 6.542 -6.991 -2.981 569 1HE LYS 69 2HE LYS 69 8.374 -5.284 -3.940 570 2HE LYS 69 1HE LYS 69 9.167 -5.738 -2.433 571 1HZ LYS 69 1HZ LYS 69 8.082 -7.883 -4.105 572 2HZ LYS 69 2HZ LYS 69 9.456 -7.872 -3.120 573 3HZ LYS 69 3HZ LYS 69 9.494 -7.116 -4.631 574 H ASP 70 H ASP 70 3.680 -4.468 -6.326 575 HA ASP 70 HA ASP 70 4.818 -2.273 -7.620 576 1HB ASP 70 2HB ASP 70 2.846 -4.360 -8.342 577 2HB ASP 70 1HB ASP 70 2.835 -2.910 -9.340 578 H ASN 71 H ASN 71 1.450 -2.723 -6.527 579 HA ASN 71 HA ASN 71 0.640 -0.141 -7.461 580 1HB ASN 71 2HB ASN 71 -0.669 -2.263 -5.788 581 2HB ASN 71 1HB ASN 71 -1.411 -0.676 -5.963 582 1HD2 ASN 71 1HD2 ASN 71 -1.255 0.060 -8.425 583 2HD2 ASN 71 2HD2 ASN 71 -1.891 -1.105 -9.529 584 H PHE 72 H PHE 72 1.346 -1.485 -4.230 585 HA PHE 72 HA PHE 72 0.817 0.844 -2.758 586 1HB PHE 72 2HB PHE 72 1.087 -1.264 -1.617 587 2HB PHE 72 1HB PHE 72 2.730 -1.439 -2.219 588 HD1 PHE 72 2HD PHE 72 1.018 1.466 -0.614 589 HD2 PHE 72 1HD PHE 72 4.117 -1.444 -0.381 590 HE1 PHE 72 2HE PHE 72 1.881 2.547 1.419 591 HE2 PHE 72 1HE PHE 72 4.979 -0.368 1.654 592 HZ PHE 72 HZ PHE 72 3.860 1.630 2.556 593 H LYS 73 H LYS 73 3.769 -0.297 -4.339 594 HA LYS 73 HA LYS 73 5.453 1.794 -3.461 595 1HB LYS 73 2HB LYS 73 6.248 -0.372 -4.415 596 2HB LYS 73 1HB LYS 73 5.704 0.164 -5.998 597 1HG LYS 73 2HG LYS 73 7.553 1.349 -6.329 598 2HG LYS 73 1HG LYS 73 7.436 2.116 -4.746 599 1HD LYS 73 2HD LYS 73 8.233 -0.693 -4.626 600 2HD LYS 73 1HD LYS 73 9.367 0.325 -5.517 601 1HE LYS 73 2HE LYS 73 9.420 1.880 -3.593 602 2HE LYS 73 1HE LYS 73 8.374 0.772 -2.703 603 1HZ LYS 73 1HZ LYS 73 10.145 -0.945 -3.066 604 2HZ LYS 73 2HZ LYS 73 10.578 0.323 -2.037 605 3HZ LYS 73 3HZ LYS 73 11.150 0.293 -3.628 606 H LEU 74 H LEU 74 3.270 1.459 -6.218 607 HA LEU 74 HA LEU 74 4.148 3.662 -7.711 608 1HB LEU 74 2HB LEU 74 1.655 2.067 -7.559 609 2HB LEU 74 1HB LEU 74 1.516 3.658 -8.286 610 HG LEU 74 HG LEU 74 3.670 1.815 -9.239 611 1HD1 LEU 74 1HD1 LEU 74 0.760 1.423 -9.575 612 2HD1 LEU 74 2HD1 LEU 74 2.080 0.257 -9.624 613 3HD1 LEU 74 3HD1 LEU 74 1.753 1.274 -11.025 614 1HD2 LEU 74 1HD2 LEU 74 1.994 3.985 -10.495 615 2HD2 LEU 74 2HD2 LEU 74 3.154 2.990 -11.375 616 3HD2 LEU 74 3HD2 LEU 74 3.708 4.056 -10.084 617 H MET 75 H MET 75 1.689 3.472 -5.118 618 HA MET 75 HA MET 75 0.986 6.218 -5.257 619 1HB MET 75 2HB MET 75 -0.183 4.189 -4.025 620 2HB MET 75 1HB MET 75 0.783 4.749 -2.667 621 1HG MET 75 2HG MET 75 -0.409 7.047 -3.758 622 2HG MET 75 1HG MET 75 -1.663 5.810 -3.725 623 1HE MET 75 1HE MET 75 0.953 7.714 -2.083 624 2HE MET 75 2HE MET 75 1.141 6.921 -0.520 625 3HE MET 75 3HE MET 75 0.109 8.342 -0.668 626 H CYS 76 H CYS 76 3.348 4.435 -3.302 627 HA CYS 76 HA CYS 76 4.152 6.587 -1.669 628 1HB CYS 76 2HB CYS 76 5.294 3.940 -2.413 629 2HB CYS 76 1HB CYS 76 6.398 5.126 -1.724 630 HG CYS 76 HG CYS 76 5.214 4.982 0.489 631 H THR 77 H THR 77 5.492 5.339 -4.722 632 HA THR 77 HA THR 77 7.548 7.285 -4.929 633 HB THR 77 HB THR 77 6.273 5.724 -7.183 634 HG1 THR 77 1HG THR 77 6.932 4.154 -5.865 635 1HG2 THR 77 1HG2 THR 77 9.141 6.559 -6.963 636 2HG2 THR 77 2HG2 THR 77 7.922 7.582 -7.724 637 3HG2 THR 77 3HG2 THR 77 8.259 5.980 -8.377 638 H ASN 78 H ASN 78 4.265 7.070 -6.264 639 HA ASN 78 HA ASN 78 4.439 9.443 -7.811 640 1HB ASN 78 2HB ASN 78 2.072 7.874 -6.783 641 2HB ASN 78 1HB ASN 78 1.938 9.254 -7.856 642 1HD2 ASN 78 1HD2 ASN 78 0.837 7.074 -8.789 643 2HD2 ASN 78 2HD2 ASN 78 1.800 6.305 -9.990 644 H ALA 79 H ALA 79 3.514 8.747 -4.495 645 HA ALA 79 HA ALA 79 2.314 11.276 -3.963 646 1HB ALA 79 1HB ALA 79 3.351 9.088 -2.180 647 2HB ALA 79 2HB ALA 79 1.678 9.517 -2.532 648 3HB ALA 79 3HB ALA 79 2.673 10.587 -1.545 649 H MET 80 H MET 80 5.590 9.971 -3.602 650 HA MET 80 HA MET 80 6.575 12.268 -2.208 651 1HB MET 80 2HB MET 80 8.793 11.285 -2.523 652 2HB MET 80 1HB MET 80 7.648 10.090 -1.936 653 1HG MET 80 2HG MET 80 7.688 8.891 -3.874 654 2HG MET 80 1HG MET 80 8.088 10.289 -4.866 655 1HE MET 80 1HE MET 80 10.888 9.862 -6.059 656 2HE MET 80 2HE MET 80 11.631 10.828 -4.784 657 3HE MET 80 3HE MET 80 10.000 11.205 -5.337 658 H ILE 81 H ILE 81 6.422 11.310 -5.608 659 HA ILE 81 HA ILE 81 8.191 13.334 -6.535 660 HB ILE 81 HB ILE 81 7.694 11.366 -7.909 661 1HG1 ILE 81 2HG1 ILE 81 6.796 13.017 -9.953 662 2HG1 ILE 81 1HG1 ILE 81 7.552 14.134 -8.822 663 1HG2 ILE 81 1HG2 ILE 81 5.582 11.189 -9.134 664 2HG2 ILE 81 2HG2 ILE 81 4.952 12.572 -8.239 665 3HG2 ILE 81 3HG2 ILE 81 5.346 11.077 -7.392 666 1HD1 ILE 81 1HD1 ILE 81 9.086 11.700 -9.440 667 2HD1 ILE 81 2HD1 ILE 81 9.621 13.370 -9.249 668 3HD1 ILE 81 3HD1 ILE 81 8.876 12.851 -10.760 669 H TYR 82 H TYR 82 4.628 13.182 -6.229 670 HA TYR 82 HA TYR 82 4.484 15.989 -7.041 671 1HB TYR 82 2HB TYR 82 2.879 14.189 -7.913 672 2HB TYR 82 1HB TYR 82 2.133 14.248 -6.318 673 HD1 TYR 82 2HD TYR 82 3.488 17.052 -8.373 674 HD2 TYR 82 1HD TYR 82 0.036 15.201 -6.707 675 HE1 TYR 82 2HE TYR 82 2.121 18.963 -9.093 676 HE2 TYR 82 1HE TYR 82 -1.334 17.107 -7.425 677 HH TYR 82 HH TYR 82 -0.145 20.020 -8.280 678 H ASN 83 H ASN 83 5.736 15.374 -4.526 679 HA ASN 83 HA ASN 83 4.304 17.203 -2.873 680 1HB ASN 83 2HB ASN 83 3.374 14.689 -2.539 681 2HB ASN 83 1HB ASN 83 4.715 14.661 -1.399 682 1HD2 ASN 83 1HD2 ASN 83 4.765 17.042 -0.249 683 2HD2 ASN 83 2HD2 ASN 83 3.267 17.412 0.525 684 H LYS 84 H LYS 84 6.139 18.404 -2.784 685 HA LYS 84 HA LYS 84 8.715 17.327 -2.204 686 1HB LYS 84 2HB LYS 84 7.710 20.178 -2.037 687 2HB LYS 84 1HB LYS 84 9.397 19.694 -1.958 688 1HG LYS 84 2HG LYS 84 8.998 18.636 -4.262 689 2HG LYS 84 1HG LYS 84 7.528 19.614 -4.296 690 1HD LYS 84 2HD LYS 84 9.420 21.427 -3.494 691 2HD LYS 84 1HD LYS 84 10.325 20.408 -4.616 692 1HE LYS 84 2HE LYS 84 8.730 20.817 -6.363 693 2HE LYS 84 1HE LYS 84 7.661 21.667 -5.248 694 1HZ LYS 84 1HZ LYS 84 8.813 23.296 -6.485 695 2HZ LYS 84 2HZ LYS 84 10.312 22.553 -6.235 696 3HZ LYS 84 3HZ LYS 84 9.513 23.301 -4.944 697 HA PRO 85 HA PRO 85 8.768 17.086 2.199 698 1HB PRO 85 2HB PRO 85 11.122 18.360 2.845 699 2HB PRO 85 1HB PRO 85 11.017 16.700 2.246 700 1HG PRO 85 2HG PRO 85 11.644 19.217 0.758 701 2HG PRO 85 1HG PRO 85 12.391 17.615 0.613 702 1HD PRO 85 2HD PRO 85 10.593 18.492 -1.173 703 2HD PRO 85 1HD PRO 85 10.655 16.787 -0.683 704 H GLU 86 H GLU 86 6.923 18.597 2.158 705 HA GLU 86 HA GLU 86 7.432 21.375 2.795 706 1HB GLU 86 2HB GLU 86 5.191 19.787 1.889 707 2HB GLU 86 1HB GLU 86 4.720 20.782 3.259 708 1HG GLU 86 2HG GLU 86 4.868 22.697 2.089 709 2HG GLU 86 1HG GLU 86 6.276 22.158 1.177 710 H THR 87 H THR 87 5.637 18.756 4.436 711 HA THR 87 HA THR 87 6.633 19.761 7.004 712 HB THR 87 HB THR 87 4.072 19.040 7.662 713 HG1 THR 87 1HG THR 87 3.570 18.959 5.375 714 1HG2 THR 87 1HG2 THR 87 3.678 21.664 7.294 715 2HG2 THR 87 2HG2 THR 87 5.439 21.609 7.241 716 3HG2 THR 87 3HG2 THR 87 4.579 20.991 8.650 717 H ILE 88 H ILE 88 4.111 17.343 6.398 718 HA ILE 88 HA ILE 88 5.991 15.249 7.263 719 HB ILE 88 HB ILE 88 3.063 15.297 8.002 720 1HG1 ILE 88 2HG1 ILE 88 4.394 15.651 10.361 721 2HG1 ILE 88 1HG1 ILE 88 5.383 16.613 9.270 722 1HG2 ILE 88 1HG2 ILE 88 5.377 13.514 8.611 723 2HG2 ILE 88 2HG2 ILE 88 3.722 13.097 8.167 724 3HG2 ILE 88 3HG2 ILE 88 4.079 13.681 9.792 725 1HD1 ILE 88 1HD1 ILE 88 2.812 17.195 10.419 726 2HD1 ILE 88 2HD1 ILE 88 2.770 17.326 8.660 727 3HD1 ILE 88 3HD1 ILE 88 3.944 18.260 9.586 728 H TYR 89 H TYR 89 4.215 16.299 4.701 729 HA TYR 89 HA TYR 89 2.862 13.964 3.847 730 1HB TYR 89 2HB TYR 89 3.884 16.387 2.375 731 2HB TYR 89 1HB TYR 89 3.065 15.070 1.548 732 HD1 TYR 89 2HD TYR 89 2.667 17.858 3.893 733 HD2 TYR 89 1HD TYR 89 0.687 14.719 1.817 734 HE1 TYR 89 2HE TYR 89 0.498 18.884 4.425 735 HE2 TYR 89 1HE TYR 89 -1.487 15.737 2.339 736 HH TYR 89 HH TYR 89 -2.097 18.535 2.993 737 H TYR 90 H TYR 90 6.080 15.283 3.071 738 HA TYR 90 HA TYR 90 6.828 13.208 1.300 739 1HB TYR 90 2HB TYR 90 7.959 15.419 1.400 740 2HB TYR 90 1HB TYR 90 8.637 14.978 2.963 741 HD1 TYR 90 1HD TYR 90 8.377 13.392 -0.423 742 HD2 TYR 90 2HD TYR 90 10.861 14.372 2.890 743 HE1 TYR 90 1HE TYR 90 10.292 12.352 -1.558 744 HE2 TYR 90 2HE TYR 90 12.783 13.337 1.763 745 HH TYR 90 HH TYR 90 12.818 12.559 -1.483 746 H LYS 91 H LYS 91 7.525 13.735 4.752 747 HA LYS 91 HA LYS 91 9.001 11.353 5.111 748 1HB LYS 91 2HB LYS 91 7.795 13.404 6.868 749 2HB LYS 91 1HB LYS 91 8.024 11.820 7.596 750 1HG LYS 91 2HG LYS 91 10.431 12.132 6.468 751 2HG LYS 91 1HG LYS 91 10.014 13.823 6.746 752 1HD LYS 91 2HD LYS 91 10.381 13.633 8.939 753 2HD LYS 91 1HD LYS 91 9.375 12.188 9.045 754 1HE LYS 91 2HE LYS 91 11.338 11.210 9.592 755 2HE LYS 91 1HE LYS 91 11.535 11.143 7.842 756 1HZ LYS 91 1HZ LYS 91 13.521 12.018 8.802 757 2HZ LYS 91 2HZ LYS 91 12.664 13.179 9.685 758 3HZ LYS 91 3HZ LYS 91 12.740 13.289 7.999 759 H ALA 92 H ALA 92 5.558 12.081 5.285 760 HA ALA 92 HA ALA 92 4.669 9.755 6.568 761 1HB ALA 92 1HB ALA 92 2.547 10.229 5.105 762 2HB ALA 92 2HB ALA 92 3.406 11.716 4.707 763 3HB ALA 92 3HB ALA 92 3.017 11.346 6.386 764 H ALA 93 H ALA 93 5.123 10.433 3.099 765 HA ALA 93 HA ALA 93 4.241 7.924 2.164 766 1HB ALA 93 1HB ALA 93 4.308 9.416 0.445 767 2HB ALA 93 2HB ALA 93 5.859 8.620 0.180 768 3HB ALA 93 3HB ALA 93 5.797 10.175 1.011 769 H LYS 94 H LYS 94 7.495 9.128 2.957 770 HA LYS 94 HA LYS 94 8.889 6.794 2.207 771 1HB LYS 94 2HB LYS 94 9.702 9.236 2.884 772 2HB LYS 94 1HB LYS 94 9.917 8.468 4.451 773 1HG LYS 94 2HG LYS 94 11.387 6.805 3.450 774 2HG LYS 94 1HG LYS 94 11.150 7.541 1.863 775 1HD LYS 94 2HD LYS 94 12.114 9.644 2.738 776 2HD LYS 94 1HD LYS 94 12.427 8.835 4.274 777 1HE LYS 94 2HE LYS 94 14.186 7.670 3.457 778 2HE LYS 94 1HE LYS 94 13.453 7.476 1.865 779 1HZ LYS 94 1HZ LYS 94 15.320 8.880 1.611 780 2HZ LYS 94 2HZ LYS 94 14.875 9.854 2.918 781 3HZ LYS 94 3HZ LYS 94 13.962 9.883 1.494 782 H LYS 95 H LYS 95 7.664 7.876 5.373 783 HA LYS 95 HA LYS 95 8.575 5.684 6.874 784 1HB LYS 95 2HB LYS 95 7.480 7.981 7.580 785 2HB LYS 95 1HB LYS 95 6.000 7.033 7.574 786 1HG LYS 95 2HG LYS 95 6.956 5.498 9.198 787 2HG LYS 95 1HG LYS 95 8.471 6.401 9.177 788 1HD LYS 95 2HD LYS 95 6.982 8.428 9.817 789 2HD LYS 95 1HD LYS 95 5.806 7.200 10.287 790 1HE LYS 95 2HE LYS 95 6.954 7.593 12.265 791 2HE LYS 95 1HE LYS 95 7.764 6.166 11.621 792 1HZ LYS 95 1HZ LYS 95 9.633 7.359 11.079 793 2HZ LYS 95 2HZ LYS 95 9.148 8.164 12.486 794 3HZ LYS 95 3HZ LYS 95 8.815 8.836 10.970 795 H LEU 96 H LEU 96 5.538 6.212 5.121 796 HA LEU 96 HA LEU 96 4.229 3.868 5.974 797 1HB LEU 96 2HB LEU 96 3.638 6.029 4.289 798 2HB LEU 96 1HB LEU 96 3.506 4.608 3.273 799 HG LEU 96 HG LEU 96 1.361 5.307 4.323 800 1HD1 LEU 96 1HD1 LEU 96 2.193 2.619 5.361 801 2HD1 LEU 96 2HD1 LEU 96 1.974 2.934 3.639 802 3HD1 LEU 96 3HD1 LEU 96 0.619 3.132 4.751 803 1HD2 LEU 96 1HD2 LEU 96 1.047 5.496 6.544 804 2HD2 LEU 96 2HD2 LEU 96 2.792 5.746 6.568 805 3HD2 LEU 96 3HD2 LEU 96 2.125 4.153 6.921 806 H LEU 97 H LEU 97 6.316 4.517 3.178 807 HA LEU 97 HA LEU 97 6.029 2.075 1.858 808 1HB LEU 97 2HB LEU 97 7.306 4.245 1.184 809 2HB LEU 97 1HB LEU 97 8.672 3.484 1.975 810 HG LEU 97 HG LEU 97 7.164 2.005 -0.153 811 1HD1 LEU 97 1HD1 LEU 97 8.080 4.456 -0.739 812 2HD1 LEU 97 2HD1 LEU 97 8.101 3.114 -1.882 813 3HD1 LEU 97 3HD1 LEU 97 9.557 3.525 -0.977 814 1HD2 LEU 97 1HD2 LEU 97 9.451 1.051 -0.513 815 2HD2 LEU 97 2HD2 LEU 97 8.749 0.702 1.065 816 3HD2 LEU 97 3HD2 LEU 97 9.985 1.947 0.907 817 H HIS 98 H HIS 98 8.320 3.015 4.410 818 HA HIS 98 HA HIS 98 9.704 0.553 4.499 819 1HB HIS 98 2HB HIS 98 9.586 3.002 6.114 820 2HB HIS 98 1HB HIS 98 9.961 1.555 7.042 821 HD1 HIS 98 1HD HIS 98 12.415 1.508 7.359 822 HD2 HIS 98 2HD HIS 98 11.374 2.700 3.515 823 HE1 HIS 98 1HE HIS 98 14.591 1.781 6.126 824 HE2 HIS 98 2HE HIS 98 13.938 2.526 3.810 825 H SER 99 H SER 99 6.865 1.762 6.226 826 HA SER 99 HA SER 99 6.620 -0.416 8.026 827 1HB SER 99 2HB SER 99 4.895 1.852 7.167 828 2HB SER 99 1HB SER 99 4.087 0.469 7.904 829 HG SER 99 HG SER 99 6.290 1.842 9.058 830 H GLY 100 H GLY 100 5.102 0.283 4.880 831 1HA GLY 100 2HA GLY 100 3.447 -2.000 4.814 832 2HA GLY 100 1HA GLY 100 3.965 -1.073 3.415 833 H MET 101 H MET 101 6.783 -1.494 3.760 834 HA MET 101 HA MET 101 7.061 -3.946 2.382 835 1HB MET 101 2HB MET 101 8.872 -1.824 3.364 836 2HB MET 101 1HB MET 101 9.602 -3.409 3.148 837 1HG MET 101 2HG MET 101 8.114 -3.016 0.841 838 2HG MET 101 1HG MET 101 8.832 -1.443 1.181 839 1HE MET 101 1HE MET 101 9.959 -3.710 -1.546 840 2HE MET 101 2HE MET 101 11.164 -2.422 -1.499 841 3HE MET 101 3HE MET 101 9.465 -2.053 -1.200 842 H LYS 102 H LYS 102 7.953 -3.001 5.709 843 HA LYS 102 HA LYS 102 9.041 -5.482 6.454 844 1HB LYS 102 2HB LYS 102 8.707 -4.729 8.789 845 2HB LYS 102 1HB LYS 102 9.481 -3.514 7.781 846 1HG LYS 102 2HG LYS 102 7.241 -2.435 7.517 847 2HG LYS 102 1HG LYS 102 6.624 -3.561 8.726 848 1HD LYS 102 2HD LYS 102 8.892 -1.614 9.139 849 2HD LYS 102 1HD LYS 102 7.232 -1.379 9.688 850 1HE LYS 102 2HE LYS 102 7.955 -2.313 11.597 851 2HE LYS 102 1HE LYS 102 7.798 -3.832 10.718 852 1HZ LYS 102 1HZ LYS 102 9.948 -3.693 11.766 853 2HZ LYS 102 2HZ LYS 102 10.278 -2.221 11.002 854 3HZ LYS 102 3HZ LYS 102 10.145 -3.635 10.086 855 H ILE 103 H ILE 103 5.729 -4.221 6.763 856 HA ILE 103 HA ILE 103 4.707 -6.492 8.124 857 HB ILE 103 HB ILE 103 3.144 -4.563 6.396 858 1HG1 ILE 103 2HG1 ILE 103 3.346 -4.370 9.382 859 2HG1 ILE 103 1HG1 ILE 103 4.615 -3.671 8.385 860 1HG2 ILE 103 1HG2 ILE 103 1.484 -5.312 8.389 861 2HG2 ILE 103 2HG2 ILE 103 2.422 -6.790 8.176 862 3HG2 ILE 103 3HG2 ILE 103 1.551 -6.093 6.810 863 1HD1 ILE 103 1HD1 ILE 103 1.910 -2.730 8.912 864 2HD1 ILE 103 2HD1 ILE 103 2.360 -2.687 7.206 865 3HD1 ILE 103 3HD1 ILE 103 3.346 -1.843 8.400 866 H LEU 104 H LEU 104 5.083 -5.696 4.706 867 HA LEU 104 HA LEU 104 3.463 -7.689 3.598 868 1HB LEU 104 2HB LEU 104 5.339 -5.790 2.660 869 2HB LEU 104 1HB LEU 104 5.808 -7.341 1.995 870 HG LEU 104 HG LEU 104 2.941 -6.806 1.753 871 1HD1 LEU 104 1HD1 LEU 104 2.919 -4.954 0.446 872 2HD1 LEU 104 2HD1 LEU 104 4.562 -5.209 -0.142 873 3HD1 LEU 104 3HD1 LEU 104 4.295 -4.538 1.466 874 1HD2 LEU 104 1HD2 LEU 104 4.400 -8.621 0.671 875 2HD2 LEU 104 2HD2 LEU 104 4.912 -7.351 -0.441 876 3HD2 LEU 104 3HD2 LEU 104 3.211 -7.800 -0.339 877 H SER 105 H SER 105 6.585 -7.929 5.130 878 HA SER 105 HA SER 105 7.060 -10.596 4.063 879 1HB SER 105 2HB SER 105 8.803 -8.634 4.679 880 2HB SER 105 1HB SER 105 8.811 -9.523 6.203 881 HG SER 105 HG SER 105 9.274 -10.654 3.637 882 H GLN 106 H GLN 106 4.796 -9.934 5.962 883 HA GLN 106 HA GLN 106 5.519 -11.738 8.168 884 1HB GLN 106 2HB GLN 106 4.336 -9.255 8.270 885 2HB GLN 106 1HB GLN 106 2.955 -10.338 8.374 886 1HG GLN 106 2HG GLN 106 3.702 -11.304 10.354 887 2HG GLN 106 1HG GLN 106 5.350 -10.724 10.125 888 1HE2 GLN 106 1HE2 GLN 106 2.066 -9.381 10.368 889 2HE2 GLN 106 2HE2 GLN 106 2.496 -8.088 11.428 890 H GLU 107 H GLU 107 3.067 -11.072 5.703 891 HA GLU 107 HA GLU 107 1.379 -13.265 6.326 892 1HB GLU 107 2HB GLU 107 0.403 -12.857 4.076 893 2HB GLU 107 1HB GLU 107 0.504 -11.407 5.063 894 1HG GLU 107 2HG GLU 107 2.009 -10.413 3.701 895 2HG GLU 107 1HG GLU 107 2.784 -11.928 3.261 896 H ARG 108 H ARG 108 4.167 -12.886 4.200 897 HA ARG 108 HA ARG 108 3.978 -15.745 3.511 898 1HB ARG 108 2HB ARG 108 5.275 -13.479 1.985 899 2HB ARG 108 1HB ARG 108 5.368 -15.173 1.525 900 1HG ARG 108 2HG ARG 108 2.630 -14.323 1.927 901 2HG ARG 108 1HG ARG 108 3.461 -13.335 0.723 902 1HD ARG 108 2HD ARG 108 4.260 -15.851 0.032 903 2HD ARG 108 1HD ARG 108 2.622 -16.143 0.616 904 HE ARG 108 HE ARG 108 2.496 -13.967 -1.103 905 1HH1 ARG 108 1HH1 ARG 108 3.313 -17.368 -1.292 906 2HH1 ARG 108 2HH1 ARG 108 2.824 -17.521 -2.944 907 1HH2 ARG 108 1HH2 ARG 108 1.852 -14.175 -3.282 908 2HH2 ARG 108 2HH2 ARG 108 1.995 -15.707 -4.075 909 H LEU 109 H LEU 109 5.010 -16.018 5.678 910 HA LEU 109 HA LEU 109 7.922 -15.586 5.538 911 1HB LEU 109 2HB LEU 109 6.372 -14.593 7.436 912 2HB LEU 109 1HB LEU 109 6.544 -16.201 8.111 913 HG LEU 109 HG LEU 109 9.054 -14.857 7.298 914 1HD1 LEU 109 1HD1 LEU 109 8.877 -13.841 9.761 915 2HD1 LEU 109 2HD1 LEU 109 7.182 -13.732 9.289 916 3HD1 LEU 109 3HD1 LEU 109 8.421 -12.940 8.316 917 1HD2 LEU 109 1HD2 LEU 109 9.927 -15.971 9.209 918 2HD2 LEU 109 2HD2 LEU 109 8.888 -17.117 8.362 919 3HD2 LEU 109 3HD2 LEU 109 8.310 -16.318 9.823 920 H GLU 110 H GLU 110 8.610 -17.438 4.577 921 HA GLU 110 HA GLU 110 7.589 -20.022 5.087 922 1HB GLU 110 2HB GLU 110 8.899 -19.329 3.062 923 2HB GLU 110 1HB GLU 110 10.345 -19.320 4.061 924 1HG GLU 110 2HG GLU 110 10.541 -21.402 3.215 925 2HG GLU 110 1HG GLU 110 9.514 -21.787 4.595 926 H HIS 111 H HIS 111 10.315 -18.220 6.453 927 HA HIS 111 HA HIS 111 10.230 -19.765 8.860 928 1HB HIS 111 2HB HIS 111 11.549 -21.257 7.340 929 2HB HIS 111 1HB HIS 111 12.750 -19.978 7.198 930 HD1 HIS 111 1HD HIS 111 13.712 -19.197 9.712 931 HD2 HIS 111 2HD HIS 111 12.133 -23.019 9.296 932 HE1 HIS 111 1HE HIS 111 14.615 -20.510 11.654 933 HE2 HIS 111 2HE HIS 111 13.727 -22.845 11.326 934 H HIS 112 H HIS 112 12.507 -17.755 6.974 935 HA HIS 112 HA HIS 112 12.382 -15.684 9.005 936 1HB HIS 112 2HB HIS 112 14.734 -17.449 8.617 937 2HB HIS 112 1HB HIS 112 15.072 -15.730 8.759 938 HD1 HIS 112 1HD HIS 112 16.063 -17.642 10.914 939 HD2 HIS 112 2HD HIS 112 12.415 -15.663 11.106 940 HE1 HIS 112 1HE HIS 112 15.469 -17.563 13.355 941 HE2 HIS 112 2HE HIS 112 13.206 -16.457 13.434 942 H HIS 113 H HIS 113 14.696 -16.487 6.402 943 HA HIS 113 HA HIS 113 13.910 -13.986 5.049 944 1HB HIS 113 2HB HIS 113 16.470 -14.840 5.987 945 2HB HIS 113 1HB HIS 113 16.521 -14.793 4.229 946 HD1 HIS 113 1HD HIS 113 16.001 -12.439 3.112 947 HD2 HIS 113 2HD HIS 113 16.518 -12.395 7.234 948 HE1 HIS 113 1HE HIS 113 16.371 -10.029 3.714 949 HE2 HIS 113 2HE HIS 113 16.620 -10.018 6.222 950 H HIS 114 H HIS 114 15.127 -14.235 2.650 951 HA HIS 114 HA HIS 114 14.141 -16.779 1.551 952 1HB HIS 114 2HB HIS 114 13.742 -14.007 0.414 953 2HB HIS 114 1HB HIS 114 13.419 -15.490 -0.477 954 HD1 HIS 114 1HD HIS 114 11.872 -13.124 1.818 955 HD2 HIS 114 2HD HIS 114 11.305 -17.103 0.757 956 HE1 HIS 114 1HE HIS 114 9.554 -13.707 2.605 957 HE2 HIS 114 2HE HIS 114 9.207 -16.096 1.887 958 H HIS 115 H HIS 115 15.957 -13.888 0.459 959 HA HIS 115 HA HIS 115 18.389 -15.231 0.074 960 1HB HIS 115 2HB HIS 115 18.421 -15.260 -2.432 961 2HB HIS 115 1HB HIS 115 17.331 -16.439 -1.714 962 HD1 HIS 115 1HD HIS 115 14.921 -16.336 -2.399 963 HD2 HIS 115 2HD HIS 115 17.062 -12.981 -3.587 964 HE1 HIS 115 1HE HIS 115 13.373 -15.052 -3.906 965 HE2 HIS 115 2HE HIS 115 14.631 -12.940 -4.462 966 H HIS 116 H HIS 116 20.006 -13.791 -0.223 967 HA HIS 116 HA HIS 116 21.096 -11.818 -0.437 968 1HB HIS 116 2HB HIS 116 18.921 -11.577 -2.452 969 2HB HIS 116 1HB HIS 116 19.777 -10.103 -2.022 970 HD1 HIS 116 1HD HIS 116 21.974 -9.718 -3.138 971 HD2 HIS 116 2HD HIS 116 20.702 -13.660 -3.489 972 HE1 HIS 116 1HE HIS 116 23.615 -10.817 -4.692 973 HE2 HIS 116 2HE HIS 116 22.894 -13.230 -4.793 Start of MODEL 2 1 1H MET 0 1HT MET 0 0.811 -24.980 -1.512 2 2H MET 0 2HT MET 0 1.609 -24.858 -3.027 3 3H MET 0 3HT MET 0 1.622 -26.343 -2.166 4 HA MET 0 HA MET 0 0.083 -26.607 -3.848 5 1HB MET 0 2HB MET 0 -1.245 -25.883 -1.225 6 2HB MET 0 1HB MET 0 -2.065 -26.727 -2.532 7 1HG MET 0 2HG MET 0 0.014 -28.351 -2.285 8 2HG MET 0 1HG MET 0 0.011 -27.692 -0.650 9 1HE MET 0 1HE MET 0 -1.981 -31.281 -1.793 10 2HE MET 0 2HE MET 0 -0.574 -30.428 -2.429 11 3HE MET 0 3HE MET 0 -2.163 -30.162 -3.146 12 H GLU 1 H GLU 1 -1.706 -25.863 -5.104 13 HA GLU 1 HA GLU 1 -2.092 -22.943 -5.005 14 1HB GLU 1 2HB GLU 1 -0.787 -23.833 -6.978 15 2HB GLU 1 1HB GLU 1 -2.249 -24.670 -7.481 16 1HG GLU 1 2HG GLU 1 -3.251 -22.776 -8.202 17 2HG GLU 1 1HG GLU 1 -2.505 -21.776 -6.959 18 H GLU 2 H GLU 2 -4.151 -22.127 -5.541 19 HA GLU 2 HA GLU 2 -6.417 -22.041 -5.571 20 1HB GLU 2 2HB GLU 2 -5.841 -24.590 -6.855 21 2HB GLU 2 1HB GLU 2 -7.366 -24.625 -5.980 22 1HG GLU 2 2HG GLU 2 -6.738 -22.374 -7.843 23 2HG GLU 2 1HG GLU 2 -7.338 -23.911 -8.460 24 H VAL 3 H VAL 3 -8.151 -22.337 -4.170 25 HA VAL 3 HA VAL 3 -9.240 -22.862 -2.242 26 HB VAL 3 HB VAL 3 -7.337 -25.161 -1.828 27 1HG1 VAL 3 1HG1 VAL 3 -8.646 -24.947 0.072 28 2HG1 VAL 3 2HG1 VAL 3 -9.543 -26.125 -0.886 29 3HG1 VAL 3 3HG1 VAL 3 -10.068 -24.442 -0.839 30 1HG2 VAL 3 1HG2 VAL 3 -8.042 -25.643 -3.976 31 2HG2 VAL 3 2HG2 VAL 3 -9.615 -24.881 -3.745 32 3HG2 VAL 3 3HG2 VAL 3 -9.275 -26.446 -3.007 33 H GLU 4 H GLU 4 -6.206 -21.693 -2.414 34 HA GLU 4 HA GLU 4 -6.061 -21.261 0.492 35 1HB GLU 4 2HB GLU 4 -3.601 -21.334 0.356 36 2HB GLU 4 1HB GLU 4 -4.327 -22.871 -0.094 37 1HG GLU 4 2HG GLU 4 -3.088 -22.815 -1.929 38 2HG GLU 4 1HG GLU 4 -4.095 -21.481 -2.487 39 H GLN 5 H GLN 5 -6.896 -19.720 -2.119 40 HA GLN 5 HA GLN 5 -5.089 -17.467 -2.053 41 1HB GLN 5 2HB GLN 5 -7.726 -17.803 -3.495 42 2HB GLN 5 1HB GLN 5 -6.596 -16.476 -3.724 43 1HG GLN 5 2HG GLN 5 -5.106 -17.755 -4.893 44 2HG GLN 5 1HG GLN 5 -5.619 -19.254 -4.121 45 1HE2 GLN 5 1HE2 GLN 5 -8.043 -19.732 -4.598 46 2HE2 GLN 5 2HE2 GLN 5 -8.486 -19.625 -6.264 47 H THR 6 H THR 6 -8.073 -18.388 -0.541 48 HA THR 6 HA THR 6 -8.913 -15.751 0.150 49 HB THR 6 HB THR 6 -9.968 -17.595 2.028 50 HG1 THR 6 1HG THR 6 -10.252 -18.620 -0.587 51 1HG2 THR 6 1HG2 THR 6 -11.553 -16.128 1.414 52 2HG2 THR 6 2HG2 THR 6 -11.951 -17.390 0.249 53 3HG2 THR 6 3HG2 THR 6 -10.964 -16.013 -0.244 54 HA PRO 7 HA PRO 7 -7.030 -17.083 4.544 55 1HB PRO 7 2HB PRO 7 -4.784 -18.682 3.408 56 2HB PRO 7 1HB PRO 7 -5.673 -18.904 4.919 57 1HG PRO 7 2HG PRO 7 -6.137 -20.488 2.834 58 2HG PRO 7 1HG PRO 7 -7.466 -19.934 3.868 59 1HD PRO 7 2HD PRO 7 -6.679 -19.020 1.141 60 2HD PRO 7 1HD PRO 7 -8.295 -19.182 1.854 61 H LEU 8 H LEU 8 -4.859 -16.885 1.710 62 HA LEU 8 HA LEU 8 -2.970 -15.198 3.006 63 1HB LEU 8 2HB LEU 8 -1.962 -14.908 0.824 64 2HB LEU 8 1HB LEU 8 -2.358 -16.593 1.093 65 HG LEU 8 HG LEU 8 -4.513 -16.048 -0.266 66 1HD1 LEU 8 1HD1 LEU 8 -3.282 -14.256 -2.030 67 2HD1 LEU 8 2HD1 LEU 8 -3.082 -13.559 -0.424 68 3HD1 LEU 8 3HD1 LEU 8 -4.693 -13.964 -1.014 69 1HD2 LEU 8 1HD2 LEU 8 -2.791 -17.583 -1.005 70 2HD2 LEU 8 2HD2 LEU 8 -1.782 -16.236 -1.534 71 3HD2 LEU 8 3HD2 LEU 8 -3.310 -16.568 -2.352 72 H GLN 9 H GLN 9 -5.828 -14.610 1.038 73 HA GLN 9 HA GLN 9 -5.440 -11.879 0.515 74 1HB GLN 9 2HB GLN 9 -7.153 -13.321 -0.577 75 2HB GLN 9 1HB GLN 9 -8.071 -13.315 0.923 76 1HG GLN 9 2HG GLN 9 -7.843 -10.682 0.568 77 2HG GLN 9 1HG GLN 9 -7.735 -11.200 -1.114 78 1HE2 GLN 9 1HE2 GLN 9 -9.718 -10.236 -1.606 79 2HE2 GLN 9 2HE2 GLN 9 -11.219 -10.927 -1.101 80 H GLU 10 H GLU 10 -6.933 -13.542 3.267 81 HA GLU 10 HA GLU 10 -7.935 -11.283 4.599 82 1HB GLU 10 2HB GLU 10 -8.436 -13.699 5.140 83 2HB GLU 10 1HB GLU 10 -6.864 -13.780 5.922 84 1HG GLU 10 2HG GLU 10 -7.572 -12.697 7.744 85 2HG GLU 10 1HG GLU 10 -8.527 -11.546 6.815 86 H ALA 11 H ALA 11 -4.770 -12.877 4.755 87 HA ALA 11 HA ALA 11 -3.657 -11.335 6.824 88 1HB ALA 11 1HB ALA 11 -2.597 -13.381 6.110 89 2HB ALA 11 2HB ALA 11 -1.468 -12.043 5.901 90 3HB ALA 11 3HB ALA 11 -2.308 -12.714 4.503 91 H LEU 12 H LEU 12 -3.651 -10.871 3.297 92 HA LEU 12 HA LEU 12 -2.014 -8.620 3.170 93 1HB LEU 12 2HB LEU 12 -4.254 -9.632 1.455 94 2HB LEU 12 1HB LEU 12 -3.543 -8.066 1.119 95 HG LEU 12 HG LEU 12 -2.018 -10.674 1.186 96 1HD1 LEU 12 1HD1 LEU 12 -2.653 -9.031 -1.246 97 2HD1 LEU 12 2HD1 LEU 12 -3.723 -10.317 -0.685 98 3HD1 LEU 12 3HD1 LEU 12 -2.064 -10.691 -1.154 99 1HD2 LEU 12 1HD2 LEU 12 -0.316 -9.232 1.536 100 2HD2 LEU 12 2HD2 LEU 12 -1.234 -7.839 0.962 101 3HD2 LEU 12 3HD2 LEU 12 -0.482 -8.938 -0.195 102 H ASN 13 H ASN 13 -5.534 -8.834 3.654 103 HA ASN 13 HA ASN 13 -5.996 -6.040 3.735 104 1HB ASN 13 2HB ASN 13 -7.616 -8.242 5.041 105 2HB ASN 13 1HB ASN 13 -8.166 -6.602 4.718 106 1HD2 ASN 13 1HD2 ASN 13 -9.003 -9.363 3.792 107 2HD2 ASN 13 2HD2 ASN 13 -9.105 -9.212 2.073 108 H GLN 14 H GLN 14 -5.288 -8.441 6.234 109 HA GLN 14 HA GLN 14 -5.654 -6.747 8.462 110 1HB GLN 14 2HB GLN 14 -4.864 -9.432 8.004 111 2HB GLN 14 1HB GLN 14 -3.613 -8.690 8.992 112 1HG GLN 14 2HG GLN 14 -4.981 -8.429 10.780 113 2HG GLN 14 1HG GLN 14 -6.425 -8.224 9.789 114 1HE2 GLN 14 1HE2 GLN 14 -7.042 -10.256 8.544 115 2HE2 GLN 14 2HE2 GLN 14 -6.981 -11.737 9.430 116 H LEU 15 H LEU 15 -2.890 -7.375 6.372 117 HA LEU 15 HA LEU 15 -0.989 -5.974 7.963 118 1HB LEU 15 2HB LEU 15 -1.075 -7.132 5.231 119 2HB LEU 15 1HB LEU 15 0.114 -5.876 5.517 120 HG LEU 15 HG LEU 15 1.118 -7.185 7.309 121 1HD1 LEU 15 1HD1 LEU 15 -0.635 -9.510 6.642 122 2HD1 LEU 15 2HD1 LEU 15 -1.166 -8.316 7.826 123 3HD1 LEU 15 3HD1 LEU 15 0.330 -9.211 8.087 124 1HD2 LEU 15 1HD2 LEU 15 1.875 -9.144 5.923 125 2HD2 LEU 15 2HD2 LEU 15 2.047 -7.564 5.158 126 3HD2 LEU 15 3HD2 LEU 15 0.718 -8.625 4.696 127 H MET 16 H MET 16 -2.989 -5.102 5.168 128 HA MET 16 HA MET 16 -1.957 -2.509 4.791 129 1HB MET 16 2HB MET 16 -3.953 -4.121 3.612 130 2HB MET 16 1HB MET 16 -4.748 -2.629 4.095 131 1HG MET 16 2HG MET 16 -4.063 -2.021 2.027 132 2HG MET 16 1HG MET 16 -2.631 -1.549 2.942 133 1HE MET 16 1HE MET 16 -0.774 -1.620 1.915 134 2HE MET 16 2HE MET 16 -0.102 -2.795 0.785 135 3HE MET 16 3HE MET 16 -0.061 -3.116 2.519 136 H ARG 17 H ARG 17 -4.775 -3.646 6.672 137 HA ARG 17 HA ARG 17 -5.576 -1.068 7.508 138 1HB ARG 17 2HB ARG 17 -6.888 -2.226 9.249 139 2HB ARG 17 1HB ARG 17 -7.128 -2.918 7.653 140 1HG ARG 17 2HG ARG 17 -6.354 -4.914 8.279 141 2HG ARG 17 1HG ARG 17 -5.005 -4.216 9.172 142 1HD ARG 17 2HD ARG 17 -6.845 -3.537 10.884 143 2HD ARG 17 1HD ARG 17 -7.789 -4.798 10.089 144 HE ARG 17 HE ARG 17 -5.456 -6.042 10.638 145 1HH1 ARG 17 1HH1 ARG 17 -7.672 -4.186 12.616 146 2HH1 ARG 17 2HH1 ARG 17 -7.294 -5.051 14.066 147 1HH2 ARG 17 1HH2 ARG 17 -4.966 -7.178 12.551 148 2HH2 ARG 17 2HH2 ARG 17 -5.760 -6.750 14.029 149 H GLN 18 H GLN 18 -3.287 -3.400 8.832 150 HA GLN 18 HA GLN 18 -2.874 -2.121 11.319 151 1HB GLN 18 2HB GLN 18 -1.716 -4.323 9.848 152 2HB GLN 18 1HB GLN 18 -0.457 -3.356 10.603 153 1HG GLN 18 2HG GLN 18 -2.029 -3.544 12.700 154 2HG GLN 18 1HG GLN 18 -2.615 -4.972 11.849 155 1HE2 GLN 18 1HE2 GLN 18 -0.324 -5.908 10.682 156 2HE2 GLN 18 2HE2 GLN 18 0.794 -6.400 11.904 157 H LEU 19 H LEU 19 -1.085 -1.933 8.236 158 HA LEU 19 HA LEU 19 0.760 0.014 9.169 159 1HB LEU 19 2HB LEU 19 1.335 0.323 6.783 160 2HB LEU 19 1HB LEU 19 1.380 -1.348 7.306 161 HG LEU 19 HG LEU 19 -1.057 -1.401 6.309 162 1HD1 LEU 19 1HD1 LEU 19 -0.430 1.207 5.728 163 2HD1 LEU 19 2HD1 LEU 19 -1.688 0.252 4.950 164 3HD1 LEU 19 3HD1 LEU 19 -0.093 0.373 4.212 165 1HD2 LEU 19 1HD2 LEU 19 0.249 -2.892 5.252 166 2HD2 LEU 19 2HD2 LEU 19 1.611 -1.779 5.144 167 3HD2 LEU 19 3HD2 LEU 19 0.290 -1.672 3.981 168 H GLN 20 H GLN 20 -2.376 0.187 7.599 169 HA GLN 20 HA GLN 20 -2.300 2.955 6.991 170 1HB GLN 20 2HB GLN 20 -3.856 1.335 5.931 171 2HB GLN 20 1HB GLN 20 -4.719 1.206 7.458 172 1HG GLN 20 2HG GLN 20 -4.734 3.893 7.060 173 2HG GLN 20 1HG GLN 20 -4.807 3.292 5.404 174 1HE2 GLN 20 1HE2 GLN 20 -6.734 4.515 7.526 175 2HE2 GLN 20 2HE2 GLN 20 -8.153 3.548 7.340 176 H ARG 21 H ARG 21 -3.355 1.117 9.802 177 HA ARG 21 HA ARG 21 -4.625 3.229 11.180 178 1HB ARG 21 2HB ARG 21 -3.924 0.480 11.686 179 2HB ARG 21 1HB ARG 21 -3.565 1.465 13.098 180 1HG ARG 21 2HG ARG 21 -5.698 1.202 13.647 181 2HG ARG 21 1HG ARG 21 -6.064 2.344 12.351 182 1HD ARG 21 2HD ARG 21 -5.691 -0.466 11.532 183 2HD ARG 21 1HD ARG 21 -7.114 -0.136 12.517 184 HE ARG 21 HE ARG 21 -6.654 0.677 9.794 185 1HH1 ARG 21 1HH1 ARG 21 -8.452 1.349 12.724 186 2HH1 ARG 21 2HH1 ARG 21 -9.750 2.140 11.895 187 1HH2 ARG 21 1HH2 ARG 21 -8.369 1.723 8.707 188 2HH2 ARG 21 2HH2 ARG 21 -9.702 2.352 9.615 189 H LYS 22 H LYS 22 -1.306 2.623 10.593 190 HA LYS 22 HA LYS 22 0.065 3.440 12.791 191 1HB LYS 22 2HB LYS 22 0.546 3.985 9.875 192 2HB LYS 22 1HB LYS 22 1.656 4.583 11.098 193 1HG LYS 22 2HG LYS 22 0.892 1.694 11.026 194 2HG LYS 22 1HG LYS 22 2.137 2.327 9.947 195 1HD LYS 22 2HD LYS 22 3.603 2.736 11.650 196 2HD LYS 22 1HD LYS 22 2.322 3.013 12.832 197 1HE LYS 22 2HE LYS 22 1.849 0.462 12.455 198 2HE LYS 22 1HE LYS 22 3.518 0.447 11.886 199 1HZ LYS 22 1HZ LYS 22 2.702 1.531 14.525 200 2HZ LYS 22 2HZ LYS 22 4.274 1.229 13.979 201 3HZ LYS 22 3HZ LYS 22 3.226 -0.062 14.291 202 H ASP 23 H ASP 23 -0.534 5.833 10.211 203 HA ASP 23 HA ASP 23 -1.930 7.737 11.579 204 1HB ASP 23 2HB ASP 23 0.577 7.534 12.784 205 2HB ASP 23 1HB ASP 23 0.678 8.974 11.780 206 HA PRO 24 HA PRO 24 0.687 9.892 8.016 207 1HB PRO 24 2HB PRO 24 1.887 7.421 6.890 208 2HB PRO 24 1HB PRO 24 2.593 9.029 7.083 209 1HG PRO 24 2HG PRO 24 3.319 7.037 8.688 210 2HG PRO 24 1HG PRO 24 3.101 8.678 9.323 211 1HD PRO 24 2HD PRO 24 1.284 6.318 9.529 212 2HD PRO 24 1HD PRO 24 1.692 7.546 10.745 213 H SER 25 H SER 25 -0.678 6.653 7.760 214 HA SER 25 HA SER 25 -1.544 6.811 5.080 215 1HB SER 25 2HB SER 25 -2.091 5.045 7.398 216 2HB SER 25 1HB SER 25 -3.301 5.058 6.117 217 HG SER 25 HG SER 25 -0.929 3.844 6.148 218 H ALA 26 H ALA 26 -2.822 8.180 8.000 219 HA ALA 26 HA ALA 26 -5.528 8.393 7.452 220 1HB ALA 26 1HB ALA 26 -4.205 10.778 8.608 221 2HB ALA 26 2HB ALA 26 -4.016 9.248 9.463 222 3HB ALA 26 3HB ALA 26 -5.627 9.893 9.155 223 H PHE 27 H PHE 27 -2.854 10.157 6.032 224 HA PHE 27 HA PHE 27 -4.565 12.117 4.771 225 1HB PHE 27 2HB PHE 27 -1.681 11.633 4.060 226 2HB PHE 27 1HB PHE 27 -2.604 13.124 3.945 227 HD1 PHE 27 2HD PHE 27 -3.803 13.400 6.563 228 HD2 PHE 27 1HD PHE 27 0.076 12.012 5.498 229 HE1 PHE 27 2HE PHE 27 -2.956 14.090 8.767 230 HE2 PHE 27 1HE PHE 27 0.930 12.698 7.701 231 HZ PHE 27 HZ PHE 27 -0.586 13.740 9.337 232 H PHE 28 H PHE 28 -3.131 9.042 3.938 233 HA PHE 28 HA PHE 28 -4.162 9.329 1.187 234 1HB PHE 28 2HB PHE 28 -2.143 7.241 1.943 235 2HB PHE 28 1HB PHE 28 -2.454 7.964 0.372 236 HD1 PHE 28 1HD PHE 28 -1.083 8.741 3.743 237 HD2 PHE 28 2HD PHE 28 -1.119 9.694 -0.407 238 HE1 PHE 28 1HE PHE 28 0.792 10.296 4.088 239 HE2 PHE 28 2HE PHE 28 0.756 11.248 -0.066 240 HZ PHE 28 HZ PHE 28 1.715 11.551 2.181 241 H SER 29 H SER 29 -5.681 8.529 3.569 242 HA SER 29 HA SER 29 -6.157 5.682 3.145 243 1HB SER 29 2HB SER 29 -5.973 6.417 5.457 244 2HB SER 29 1HB SER 29 -7.256 7.601 5.215 245 HG SER 29 HG SER 29 -8.730 5.986 5.080 246 H PHE 30 H PHE 30 -7.070 8.175 1.429 247 HA PHE 30 HA PHE 30 -9.661 7.021 0.796 248 1HB PHE 30 2HB PHE 30 -9.370 9.508 2.214 249 2HB PHE 30 1HB PHE 30 -10.049 9.822 0.620 250 HD1 PHE 30 2HD PHE 30 -10.506 7.700 3.637 251 HD2 PHE 30 1HD PHE 30 -12.309 9.486 0.221 252 HE1 PHE 30 2HE PHE 30 -12.724 7.010 4.451 253 HE2 PHE 30 1HE PHE 30 -14.528 8.801 1.029 254 HZ PHE 30 HZ PHE 30 -14.739 7.561 3.146 255 HA PRO 31 HA PRO 31 -8.275 7.482 -3.368 256 1HB PRO 31 2HB PRO 31 -11.076 8.326 -3.951 257 2HB PRO 31 1HB PRO 31 -10.104 7.058 -4.704 258 1HG PRO 31 2HG PRO 31 -12.043 6.444 -2.987 259 2HG PRO 31 1HG PRO 31 -10.514 5.545 -2.995 260 1HD PRO 31 2HD PRO 31 -11.480 7.630 -1.089 261 2HD PRO 31 1HD PRO 31 -10.510 6.177 -0.777 262 H VAL 32 H VAL 32 -6.951 9.255 -3.420 263 HA VAL 32 HA VAL 32 -7.644 11.884 -2.901 264 HB VAL 32 HB VAL 32 -5.673 12.467 -4.460 265 1HG1 VAL 32 1HG1 VAL 32 -5.384 12.584 -2.128 266 2HG1 VAL 32 2HG1 VAL 32 -4.061 11.578 -2.719 267 3HG1 VAL 32 3HG1 VAL 32 -5.461 10.831 -1.948 268 1HG2 VAL 32 1HG2 VAL 32 -6.009 9.823 -5.186 269 2HG2 VAL 32 2HG2 VAL 32 -4.580 9.812 -4.156 270 3HG2 VAL 32 3HG2 VAL 32 -4.636 10.854 -5.577 271 H THR 33 H THR 33 -8.150 13.663 -4.150 272 HA THR 33 HA THR 33 -8.941 13.204 -6.929 273 HB THR 33 HB THR 33 -10.815 14.891 -5.402 274 HG1 THR 33 1HG THR 33 -11.824 13.212 -4.369 275 1HG2 THR 33 1HG2 THR 33 -11.946 14.500 -7.259 276 2HG2 THR 33 2HG2 THR 33 -12.212 12.862 -6.661 277 3HG2 THR 33 3HG2 THR 33 -10.854 13.196 -7.734 278 H ASP 34 H ASP 34 -10.064 15.682 -7.445 279 HA ASP 34 HA ASP 34 -7.734 17.323 -7.612 280 1HB ASP 34 2HB ASP 34 -10.033 17.081 -9.079 281 2HB ASP 34 1HB ASP 34 -10.307 18.597 -8.230 282 H PHE 35 H PHE 35 -9.845 16.868 -5.079 283 HA PHE 35 HA PHE 35 -9.406 19.600 -4.069 284 1HB PHE 35 2HB PHE 35 -11.762 19.284 -4.327 285 2HB PHE 35 1HB PHE 35 -11.692 17.677 -3.616 286 HD1 PHE 35 1HD PHE 35 -11.211 17.453 -1.166 287 HD2 PHE 35 2HD PHE 35 -12.079 21.192 -3.002 288 HE1 PHE 35 1HE PHE 35 -11.758 18.406 1.040 289 HE2 PHE 35 2HE PHE 35 -12.624 22.152 -0.804 290 HZ PHE 35 HZ PHE 35 -12.463 20.760 1.221 291 H ILE 36 H ILE 36 -9.624 16.167 -3.225 292 HA ILE 36 HA ILE 36 -8.667 16.450 -0.571 293 HB ILE 36 HB ILE 36 -9.041 14.139 -2.441 294 1HG1 ILE 36 2HG1 ILE 36 -10.300 13.510 -0.132 295 2HG1 ILE 36 1HG1 ILE 36 -10.341 15.266 -0.032 296 1HG2 ILE 36 1HG2 ILE 36 -7.086 13.390 -1.447 297 2HG2 ILE 36 2HG2 ILE 36 -8.349 12.692 -0.434 298 3HG2 ILE 36 3HG2 ILE 36 -7.477 14.125 0.109 299 1HD1 ILE 36 1HD1 ILE 36 -11.351 15.266 -2.330 300 2HD1 ILE 36 2HD1 ILE 36 -12.354 14.578 -1.054 301 3HD1 ILE 36 3HD1 ILE 36 -11.505 13.515 -2.177 302 H ALA 37 H ALA 37 -7.127 15.734 -3.674 303 HA ALA 37 HA ALA 37 -4.488 15.772 -2.374 304 1HB ALA 37 1HB ALA 37 -5.542 14.497 -4.850 305 2HB ALA 37 2HB ALA 37 -4.494 13.836 -3.597 306 3HB ALA 37 3HB ALA 37 -3.841 14.955 -4.791 307 HA PRO 38 HA PRO 38 -3.499 19.618 -4.274 308 1HB PRO 38 2HB PRO 38 -0.733 18.987 -4.634 309 2HB PRO 38 1HB PRO 38 -1.468 19.941 -3.347 310 1HG PRO 38 2HG PRO 38 -0.297 17.454 -3.026 311 2HG PRO 38 1HG PRO 38 -1.441 18.198 -1.898 312 1HD PRO 38 2HD PRO 38 -1.888 16.071 -3.927 313 2HD PRO 38 1HD PRO 38 -2.668 16.322 -2.356 314 H GLY 39 H GLY 39 -3.521 16.924 -5.991 315 1HA GLY 39 2HA GLY 39 -4.072 17.489 -8.423 316 2HA GLY 39 1HA GLY 39 -2.432 18.125 -8.446 317 H TYR 40 H TYR 40 -3.465 15.200 -6.760 318 HA TYR 40 HA TYR 40 -1.374 13.617 -7.654 319 1HB TYR 40 2HB TYR 40 -3.990 13.108 -6.370 320 2HB TYR 40 1HB TYR 40 -3.275 11.736 -7.210 321 HD1 TYR 40 2HD TYR 40 -1.906 14.484 -5.073 322 HD2 TYR 40 1HD TYR 40 -2.231 10.287 -5.731 323 HE1 TYR 40 2HE TYR 40 -0.457 14.070 -3.133 324 HE2 TYR 40 1HE TYR 40 -0.784 9.868 -3.796 325 HH TYR 40 HH TYR 40 0.055 12.325 -1.555 326 H SER 41 H SER 41 -4.712 13.698 -8.913 327 HA SER 41 HA SER 41 -4.232 11.890 -11.041 328 1HB SER 41 2HB SER 41 -6.404 13.938 -10.588 329 2HB SER 41 1HB SER 41 -6.390 12.838 -11.967 330 HG SER 41 HG SER 41 -6.780 11.171 -10.667 331 H MET 42 H MET 42 -3.727 15.328 -10.728 332 HA MET 42 HA MET 42 -3.626 15.919 -13.515 333 1HB MET 42 2HB MET 42 -4.091 17.578 -11.699 334 2HB MET 42 1HB MET 42 -2.397 17.481 -11.242 335 1HG MET 42 2HG MET 42 -1.682 18.546 -13.176 336 2HG MET 42 1HG MET 42 -3.182 18.202 -14.037 337 1HE MET 42 1HE MET 42 -1.517 20.724 -13.922 338 2HE MET 42 2HE MET 42 -1.356 21.265 -12.250 339 3HE MET 42 3HE MET 42 -2.420 22.130 -13.361 340 H ILE 43 H ILE 43 -1.327 14.574 -11.306 341 HA ILE 43 HA ILE 43 0.810 14.961 -13.301 342 HB ILE 43 HB ILE 43 1.218 16.072 -11.117 343 1HG1 ILE 43 2HG1 ILE 43 3.440 14.497 -10.760 344 2HG1 ILE 43 1HG1 ILE 43 2.967 14.095 -12.407 345 1HG2 ILE 43 1HG2 ILE 43 0.565 13.411 -10.110 346 2HG2 ILE 43 2HG2 ILE 43 0.508 14.976 -9.308 347 3HG2 ILE 43 3HG2 ILE 43 2.030 14.095 -9.412 348 1HD1 ILE 43 1HD1 ILE 43 3.760 16.751 -11.283 349 2HD1 ILE 43 2HD1 ILE 43 2.883 16.612 -12.805 350 3HD1 ILE 43 3HD1 ILE 43 4.469 15.860 -12.630 351 H ILE 44 H ILE 44 -0.865 12.692 -11.246 352 HA ILE 44 HA ILE 44 0.471 10.496 -12.626 353 HB ILE 44 HB ILE 44 0.725 11.092 -9.869 354 1HG1 ILE 44 2HG1 ILE 44 1.775 8.579 -10.223 355 2HG1 ILE 44 1HG1 ILE 44 1.739 9.209 -11.862 356 1HG2 ILE 44 1HG2 ILE 44 0.002 8.967 -8.839 357 2HG2 ILE 44 2HG2 ILE 44 -0.855 8.567 -10.327 358 3HG2 ILE 44 3HG2 ILE 44 -1.345 9.970 -9.376 359 1HD1 ILE 44 1HD1 ILE 44 2.888 10.811 -9.620 360 2HD1 ILE 44 2HD1 ILE 44 3.183 10.944 -11.354 361 3HD1 ILE 44 3HD1 ILE 44 3.836 9.578 -10.450 362 H LYS 45 H LYS 45 -0.960 9.578 -13.808 363 HA LYS 45 HA LYS 45 -3.701 9.809 -13.749 364 1HB LYS 45 2HB LYS 45 -1.824 7.826 -14.937 365 2HB LYS 45 1HB LYS 45 -3.542 7.452 -14.953 366 1HG LYS 45 2HG LYS 45 -3.427 10.067 -15.851 367 2HG LYS 45 1HG LYS 45 -2.029 9.293 -16.599 368 1HD LYS 45 2HD LYS 45 -4.640 7.859 -16.658 369 2HD LYS 45 1HD LYS 45 -4.421 9.242 -17.731 370 1HE LYS 45 2HE LYS 45 -3.838 7.072 -18.783 371 2HE LYS 45 1HE LYS 45 -2.501 8.220 -18.754 372 1HZ LYS 45 1HZ LYS 45 -2.846 6.095 -16.713 373 2HZ LYS 45 2HZ LYS 45 -1.479 7.051 -16.990 374 3HZ LYS 45 3HZ LYS 45 -1.933 5.879 -18.120 375 H HIS 46 H HIS 46 -1.944 6.859 -12.702 376 HA HIS 46 HA HIS 46 -4.241 6.257 -10.959 377 1HB HIS 46 2HB HIS 46 -2.525 4.570 -12.687 378 2HB HIS 46 1HB HIS 46 -3.016 3.870 -11.150 379 HD1 HIS 46 1HD HIS 46 -4.028 3.791 -14.475 380 HD2 HIS 46 2HD HIS 46 -6.074 4.428 -10.915 381 HE1 HIS 46 1HE HIS 46 -6.437 3.270 -14.982 382 HE2 HIS 46 2HE HIS 46 -7.666 3.735 -12.831 383 HA PRO 47 HA PRO 47 -0.898 6.900 -7.886 384 1HB PRO 47 2HB PRO 47 -2.464 7.996 -5.990 385 2HB PRO 47 1HB PRO 47 -1.836 8.934 -7.349 386 1HG PRO 47 2HG PRO 47 -4.559 7.788 -6.933 387 2HG PRO 47 1HG PRO 47 -4.088 9.336 -7.653 388 1HD PRO 47 2HD PRO 47 -4.799 7.088 -9.088 389 2HD PRO 47 1HD PRO 47 -3.809 8.418 -9.720 390 H MET 48 H MET 48 -4.098 5.475 -7.568 391 HA MET 48 HA MET 48 -4.961 3.788 -6.318 392 1HB MET 48 2HB MET 48 -2.114 2.811 -6.584 393 2HB MET 48 1HB MET 48 -3.458 1.822 -6.030 394 1HG MET 48 2HG MET 48 -3.112 3.069 -8.744 395 2HG MET 48 1HG MET 48 -3.047 1.355 -8.339 396 1HE MET 48 1HE MET 48 -5.284 0.992 -6.318 397 2HE MET 48 2HE MET 48 -5.329 -0.111 -7.693 398 3HE MET 48 3HE MET 48 -6.789 0.748 -7.205 399 H ASP 49 H ASP 49 -5.350 5.157 -4.490 400 HA ASP 49 HA ASP 49 -3.488 5.448 -2.363 401 1HB ASP 49 2HB ASP 49 -6.504 5.711 -2.342 402 2HB ASP 49 1HB ASP 49 -5.429 6.242 -1.052 403 H PHE 50 H PHE 50 -4.088 4.695 -0.079 404 HA PHE 50 HA PHE 50 -3.906 1.895 0.025 405 1HB PHE 50 2HB PHE 50 -4.742 3.770 2.251 406 2HB PHE 50 1HB PHE 50 -4.146 2.126 2.448 407 HD1 PHE 50 2HD PHE 50 -1.879 2.038 0.615 408 HD2 PHE 50 1HD PHE 50 -3.160 5.150 3.223 409 HE1 PHE 50 2HE PHE 50 0.424 2.894 0.719 410 HE2 PHE 50 1HE PHE 50 -0.859 6.011 3.330 411 HZ PHE 50 HZ PHE 50 0.936 4.883 2.077 412 H SER 51 H SER 51 -6.671 4.057 0.211 413 HA SER 51 HA SER 51 -8.547 2.079 1.075 414 1HB SER 51 2HB SER 51 -10.069 3.974 -0.185 415 2HB SER 51 1HB SER 51 -9.539 4.076 1.494 416 HG SER 51 HG SER 51 -8.416 5.300 -0.793 417 H THR 52 H THR 52 -7.630 3.441 -2.071 418 HA THR 52 HA THR 52 -9.569 2.106 -3.617 419 HB THR 52 HB THR 52 -6.870 2.716 -4.756 420 HG1 THR 52 1HG THR 52 -8.755 4.698 -3.999 421 1HG2 THR 52 1HG2 THR 52 -9.559 2.439 -5.759 422 2HG2 THR 52 2HG2 THR 52 -8.024 2.462 -6.625 423 3HG2 THR 52 3HG2 THR 52 -8.838 3.976 -6.235 424 H MET 53 H MET 53 -6.196 1.253 -2.853 425 HA MET 53 HA MET 53 -6.162 -1.152 -4.329 426 1HB MET 53 2HB MET 53 -4.138 -1.700 -3.094 427 2HB MET 53 1HB MET 53 -4.112 -0.016 -3.594 428 1HG MET 53 2HG MET 53 -4.782 0.654 -1.334 429 2HG MET 53 1HG MET 53 -4.770 -1.038 -0.839 430 1HE MET 53 1HE MET 53 -1.378 -2.192 -0.658 431 2HE MET 53 2HE MET 53 -1.501 -1.896 -2.391 432 3HE MET 53 3HE MET 53 -2.894 -2.511 -1.500 433 H LYS 54 H LYS 54 -6.948 -0.468 -0.930 434 HA LYS 54 HA LYS 54 -7.221 -3.115 -0.054 435 1HB LYS 54 2HB LYS 54 -8.222 -0.473 0.880 436 2HB LYS 54 1HB LYS 54 -9.016 -1.907 1.519 437 1HG LYS 54 2HG LYS 54 -6.718 -2.746 2.148 438 2HG LYS 54 1HG LYS 54 -6.126 -1.129 1.766 439 1HD LYS 54 2HD LYS 54 -6.509 -1.046 4.066 440 2HD LYS 54 1HD LYS 54 -7.959 -0.309 3.380 441 1HE LYS 54 2HE LYS 54 -8.423 -3.092 3.519 442 2HE LYS 54 1HE LYS 54 -7.727 -2.608 5.065 443 1HZ LYS 54 1HZ LYS 54 -9.440 -0.773 5.055 444 2HZ LYS 54 2HZ LYS 54 -10.034 -2.338 5.283 445 3HZ LYS 54 3HZ LYS 54 -10.191 -1.588 3.776 446 H GLU 55 H GLU 55 -9.522 -0.963 -1.656 447 HA GLU 55 HA GLU 55 -11.798 -2.611 -1.371 448 1HB GLU 55 2HB GLU 55 -11.209 -0.116 -2.536 449 2HB GLU 55 1HB GLU 55 -11.861 -1.107 -3.835 450 1HG GLU 55 2HG GLU 55 -13.734 -1.671 -2.151 451 2HG GLU 55 1HG GLU 55 -13.157 -0.248 -1.284 452 H LYS 56 H LYS 56 -9.323 -2.371 -3.894 453 HA LYS 56 HA LYS 56 -10.515 -4.248 -5.650 454 1HB LYS 56 2HB LYS 56 -7.961 -2.803 -5.469 455 2HB LYS 56 1HB LYS 56 -7.853 -4.368 -6.262 456 1HG LYS 56 2HG LYS 56 -9.281 -3.741 -7.982 457 2HG LYS 56 1HG LYS 56 -9.961 -2.400 -7.057 458 1HD LYS 56 2HD LYS 56 -8.561 -1.104 -8.228 459 2HD LYS 56 1HD LYS 56 -7.296 -1.753 -7.182 460 1HE LYS 56 2HE LYS 56 -6.652 -3.355 -8.779 461 2HE LYS 56 1HE LYS 56 -8.125 -3.133 -9.719 462 1HZ LYS 56 1HZ LYS 56 -6.484 -0.762 -9.409 463 2HZ LYS 56 2HZ LYS 56 -7.282 -1.357 -10.776 464 3HZ LYS 56 3HZ LYS 56 -5.787 -2.003 -10.324 465 H ILE 57 H ILE 57 -8.159 -4.563 -3.016 466 HA ILE 57 HA ILE 57 -7.403 -7.223 -3.491 467 HB ILE 57 HB ILE 57 -7.642 -5.865 -0.799 468 1HG1 ILE 57 2HG1 ILE 57 -5.028 -6.217 -2.186 469 2HG1 ILE 57 1HG1 ILE 57 -6.093 -4.952 -2.788 470 1HG2 ILE 57 1HG2 ILE 57 -6.497 -8.457 -1.704 471 2HG2 ILE 57 2HG2 ILE 57 -7.358 -8.058 -0.218 472 3HG2 ILE 57 3HG2 ILE 57 -5.674 -7.579 -0.416 473 1HD1 ILE 57 1HD1 ILE 57 -5.992 -4.756 0.041 474 2HD1 ILE 57 2HD1 ILE 57 -5.417 -3.611 -1.170 475 3HD1 ILE 57 3HD1 ILE 57 -4.344 -4.878 -0.576 476 H LYS 58 H LYS 58 -10.140 -5.870 -1.696 477 HA LYS 58 HA LYS 58 -11.110 -8.250 -0.574 478 1HB LYS 58 2HB LYS 58 -12.550 -5.731 -1.409 479 2HB LYS 58 1HB LYS 58 -13.320 -7.039 -0.520 480 1HG LYS 58 2HG LYS 58 -11.816 -6.715 1.339 481 2HG LYS 58 1HG LYS 58 -10.926 -5.487 0.440 482 1HD LYS 58 2HD LYS 58 -12.513 -3.899 0.767 483 2HD LYS 58 1HD LYS 58 -13.839 -5.062 0.715 484 1HE LYS 58 2HE LYS 58 -13.681 -4.152 2.936 485 2HE LYS 58 1HE LYS 58 -13.190 -5.845 2.970 486 1HZ LYS 58 1HZ LYS 58 -11.343 -3.517 2.919 487 2HZ LYS 58 2HZ LYS 58 -10.881 -5.143 2.981 488 3HZ LYS 58 3HZ LYS 58 -11.710 -4.450 4.281 489 H ASN 59 H ASN 59 -11.311 -7.016 -3.825 490 HA ASN 59 HA ASN 59 -13.341 -8.977 -4.582 491 1HB ASN 59 2HB ASN 59 -12.174 -6.535 -5.840 492 2HB ASN 59 1HB ASN 59 -12.824 -7.779 -6.901 493 1HD2 ASN 59 1HD2 ASN 59 -13.769 -6.184 -3.857 494 2HD2 ASN 59 2HD2 ASN 59 -15.406 -5.900 -4.326 495 H ASN 60 H ASN 60 -10.457 -9.607 -3.832 496 HA ASN 60 HA ASN 60 -8.823 -11.035 -4.438 497 1HB ASN 60 2HB ASN 60 -10.862 -11.919 -6.481 498 2HB ASN 60 1HB ASN 60 -9.400 -12.801 -6.063 499 1HD2 ASN 60 1HD2 ASN 60 -9.332 -12.618 -3.354 500 2HD2 ASN 60 2HD2 ASN 60 -10.709 -13.403 -2.670 501 H ASP 61 H ASP 61 -9.148 -8.362 -5.823 502 HA ASP 61 HA ASP 61 -8.058 -8.712 -8.455 503 1HB ASP 61 2HB ASP 61 -9.357 -6.668 -7.296 504 2HB ASP 61 1HB ASP 61 -7.700 -6.132 -7.018 505 H TYR 62 H TYR 62 -6.803 -8.156 -5.232 506 HA TYR 62 HA TYR 62 -4.067 -8.464 -6.275 507 1HB TYR 62 2HB TYR 62 -4.978 -6.747 -3.955 508 2HB TYR 62 1HB TYR 62 -3.298 -7.040 -4.386 509 HD1 TYR 62 2HD TYR 62 -2.773 -6.512 -6.966 510 HD2 TYR 62 1HD TYR 62 -5.921 -4.782 -4.687 511 HE1 TYR 62 2HE TYR 62 -2.843 -4.611 -8.517 512 HE2 TYR 62 1HE TYR 62 -6.001 -2.871 -6.227 513 HH TYR 62 HH TYR 62 -3.816 -2.671 -9.028 514 H GLN 63 H GLN 63 -3.478 -10.473 -5.766 515 HA GLN 63 HA GLN 63 -3.732 -11.338 -2.990 516 1HB GLN 63 2HB GLN 63 -4.578 -13.497 -3.559 517 2HB GLN 63 1HB GLN 63 -5.606 -12.319 -4.360 518 1HG GLN 63 2HG GLN 63 -3.909 -12.741 -6.350 519 2HG GLN 63 1HG GLN 63 -3.706 -14.279 -5.511 520 1HE2 GLN 63 1HE2 GLN 63 -6.250 -14.722 -4.574 521 2HE2 GLN 63 2HE2 GLN 63 -7.324 -14.951 -5.906 522 H SER 64 H SER 64 -1.662 -10.402 -5.026 523 HA SER 64 HA SER 64 0.275 -12.542 -4.522 524 1HB SER 64 2HB SER 64 1.262 -11.231 -6.754 525 2HB SER 64 1HB SER 64 0.422 -12.782 -6.769 526 HG SER 64 HG SER 64 -0.823 -11.664 -8.095 527 H ILE 65 H ILE 65 2.042 -11.894 -3.511 528 HA ILE 65 HA ILE 65 2.274 -9.446 -2.265 529 HB ILE 65 HB ILE 65 4.505 -10.038 -1.648 530 1HG1 ILE 65 2HG1 ILE 65 5.269 -10.761 -3.935 531 2HG1 ILE 65 1HG1 ILE 65 5.804 -11.799 -2.621 532 1HG2 ILE 65 1HG2 ILE 65 2.574 -11.294 -0.687 533 2HG2 ILE 65 2HG2 ILE 65 4.131 -12.113 -0.570 534 3HG2 ILE 65 3HG2 ILE 65 2.964 -12.607 -1.797 535 1HD1 ILE 65 1HD1 ILE 65 5.163 -13.238 -4.352 536 2HD1 ILE 65 2HD1 ILE 65 3.679 -12.339 -4.666 537 3HD1 ILE 65 3HD1 ILE 65 3.838 -13.291 -3.191 538 H GLU 66 H GLU 66 3.502 -10.462 -5.404 539 HA GLU 66 HA GLU 66 5.133 -8.175 -5.866 540 1HB GLU 66 2HB GLU 66 4.801 -10.588 -7.110 541 2HB GLU 66 1HB GLU 66 3.984 -9.503 -8.229 542 1HG GLU 66 2HG GLU 66 5.975 -8.158 -8.442 543 2HG GLU 66 1HG GLU 66 6.801 -9.138 -7.233 544 H GLU 67 H GLU 67 1.787 -9.026 -6.669 545 HA GLU 67 HA GLU 67 1.244 -6.701 -8.219 546 1HB GLU 67 2HB GLU 67 -0.395 -8.861 -6.947 547 2HB GLU 67 1HB GLU 67 -1.200 -7.412 -7.539 548 1HG GLU 67 2HG GLU 67 0.690 -8.745 -9.382 549 2HG GLU 67 1HG GLU 67 -0.822 -9.580 -9.034 550 H LEU 68 H LEU 68 0.560 -7.647 -4.887 551 HA LEU 68 HA LEU 68 -0.799 -5.364 -4.049 552 1HB LEU 68 2HB LEU 68 -0.525 -7.571 -2.843 553 2HB LEU 68 1HB LEU 68 1.077 -7.033 -2.373 554 HG LEU 68 HG LEU 68 -0.697 -6.764 -0.626 555 1HD1 LEU 68 1HD1 LEU 68 1.455 -5.206 -1.219 556 2HD1 LEU 68 2HD1 LEU 68 0.492 -5.089 0.255 557 3HD1 LEU 68 3HD1 LEU 68 0.163 -4.010 -1.102 558 1HD2 LEU 68 1HD2 LEU 68 -2.454 -6.048 -2.288 559 2HD2 LEU 68 2HD2 LEU 68 -1.659 -4.473 -2.323 560 3HD2 LEU 68 3HD2 LEU 68 -2.350 -5.080 -0.817 561 H LYS 69 H LYS 69 2.662 -6.095 -4.139 562 HA LYS 69 HA LYS 69 3.551 -3.752 -2.838 563 1HB LYS 69 2HB LYS 69 4.743 -6.012 -4.168 564 2HB LYS 69 1HB LYS 69 5.543 -4.532 -4.673 565 1HG LYS 69 2HG LYS 69 5.344 -4.217 -1.950 566 2HG LYS 69 1HG LYS 69 5.653 -5.944 -2.133 567 1HD LYS 69 2HD LYS 69 7.306 -3.718 -3.332 568 2HD LYS 69 1HD LYS 69 7.734 -4.667 -1.907 569 1HE LYS 69 2HE LYS 69 7.705 -6.708 -3.305 570 2HE LYS 69 1HE LYS 69 7.377 -5.707 -4.717 571 1HZ LYS 69 1HZ LYS 69 9.856 -6.096 -3.258 572 2HZ LYS 69 2HZ LYS 69 9.552 -4.509 -3.753 573 3HZ LYS 69 3HZ LYS 69 9.606 -5.756 -4.895 574 H ASP 70 H ASP 70 2.936 -4.504 -6.245 575 HA ASP 70 HA ASP 70 4.042 -2.205 -7.385 576 1HB ASP 70 2HB ASP 70 2.022 -4.217 -8.210 577 2HB ASP 70 1HB ASP 70 1.999 -2.686 -9.078 578 H ASN 71 H ASN 71 0.754 -2.780 -6.154 579 HA ASN 71 HA ASN 71 -0.225 -0.204 -6.856 580 1HB ASN 71 2HB ASN 71 -1.308 -2.595 -5.851 581 2HB ASN 71 1HB ASN 71 -1.660 -1.371 -4.636 582 1HD2 ASN 71 1HD2 ASN 71 -1.447 -1.158 -8.173 583 2HD2 ASN 71 2HD2 ASN 71 -3.061 -0.587 -8.401 584 H PHE 72 H PHE 72 0.851 -1.586 -3.742 585 HA PHE 72 HA PHE 72 0.443 0.750 -2.218 586 1HB PHE 72 2HB PHE 72 0.746 -1.470 -1.198 587 2HB PHE 72 1HB PHE 72 2.415 -1.506 -1.756 588 HD1 PHE 72 2HD PHE 72 0.060 0.111 0.572 589 HD2 PHE 72 1HD PHE 72 4.131 -0.357 -0.579 590 HE1 PHE 72 2HE PHE 72 0.774 1.209 2.654 591 HE2 PHE 72 1HE PHE 72 4.851 0.738 1.501 592 HZ PHE 72 HZ PHE 72 3.170 1.526 3.122 593 H LYS 73 H LYS 73 3.328 -0.510 -3.848 594 HA LYS 73 HA LYS 73 5.062 1.581 -3.082 595 1HB LYS 73 2HB LYS 73 5.645 -0.739 -4.042 596 2HB LYS 73 1HB LYS 73 5.372 -0.012 -5.618 597 1HG LYS 73 2HG LYS 73 7.317 1.095 -5.582 598 2HG LYS 73 1HG LYS 73 7.155 1.529 -3.880 599 1HD LYS 73 2HD LYS 73 8.772 0.037 -3.487 600 2HD LYS 73 1HD LYS 73 7.561 -1.204 -3.811 601 1HE LYS 73 2HE LYS 73 9.242 -1.825 -5.258 602 2HE LYS 73 1HE LYS 73 8.240 -0.817 -6.301 603 1HZ LYS 73 1HZ LYS 73 9.839 1.045 -5.436 604 2HZ LYS 73 2HZ LYS 73 10.298 0.042 -6.719 605 3HZ LYS 73 3HZ LYS 73 10.885 -0.258 -5.160 606 H LEU 74 H LEU 74 2.861 1.178 -5.819 607 HA LEU 74 HA LEU 74 3.792 3.279 -7.424 608 1HB LEU 74 2HB LEU 74 1.314 1.702 -7.212 609 2HB LEU 74 1HB LEU 74 1.100 3.303 -7.897 610 HG LEU 74 HG LEU 74 3.217 1.464 -8.965 611 1HD1 LEU 74 1HD1 LEU 74 1.198 1.166 -10.741 612 2HD1 LEU 74 2HD1 LEU 74 0.303 1.190 -9.222 613 3HD1 LEU 74 3HD1 LEU 74 1.586 0.006 -9.472 614 1HD2 LEU 74 1HD2 LEU 74 2.892 4.005 -9.494 615 2HD2 LEU 74 2HD2 LEU 74 1.598 3.415 -10.537 616 3HD2 LEU 74 3HD2 LEU 74 3.254 2.864 -10.788 617 H MET 75 H MET 75 1.352 3.279 -4.821 618 HA MET 75 HA MET 75 0.688 6.020 -5.089 619 1HB MET 75 2HB MET 75 -0.490 4.074 -3.749 620 2HB MET 75 1HB MET 75 0.515 4.664 -2.434 621 1HG MET 75 2HG MET 75 -0.633 6.948 -3.557 622 2HG MET 75 1HG MET 75 -1.922 5.749 -3.507 623 1HE MET 75 1HE MET 75 0.476 7.120 0.189 624 2HE MET 75 2HE MET 75 0.576 7.939 -1.369 625 3HE MET 75 3HE MET 75 1.183 6.292 -1.199 626 H CYS 76 H CYS 76 3.049 4.299 -3.088 627 HA CYS 76 HA CYS 76 3.914 6.530 -1.592 628 1HB CYS 76 2HB CYS 76 4.963 3.806 -2.154 629 2HB CYS 76 1HB CYS 76 6.120 5.001 -1.579 630 HG CYS 76 HG CYS 76 4.959 5.086 0.654 631 H THR 77 H THR 77 5.057 5.134 -4.652 632 HA THR 77 HA THR 77 7.234 6.940 -4.956 633 HB THR 77 HB THR 77 5.802 5.351 -7.095 634 HG1 THR 77 1HG THR 77 7.936 4.661 -5.365 635 1HG2 THR 77 1HG2 THR 77 7.603 7.235 -7.605 636 2HG2 THR 77 2HG2 THR 77 7.505 5.732 -8.523 637 3HG2 THR 77 3HG2 THR 77 8.698 5.905 -7.235 638 H ASN 78 H ASN 78 3.953 6.841 -6.347 639 HA ASN 78 HA ASN 78 4.227 9.199 -7.886 640 1HB ASN 78 2HB ASN 78 1.712 7.889 -6.823 641 2HB ASN 78 1HB ASN 78 1.788 9.076 -8.113 642 1HD2 ASN 78 1HD2 ASN 78 0.534 7.031 -8.950 643 2HD2 ASN 78 2HD2 ASN 78 1.492 5.929 -9.861 644 H ALA 79 H ALA 79 3.145 8.580 -4.588 645 HA ALA 79 HA ALA 79 2.109 11.184 -4.099 646 1HB ALA 79 1HB ALA 79 2.238 10.506 -1.698 647 2HB ALA 79 2HB ALA 79 3.003 9.006 -2.220 648 3HB ALA 79 3HB ALA 79 1.356 9.378 -2.728 649 H MET 80 H MET 80 5.254 9.646 -3.447 650 HA MET 80 HA MET 80 6.334 11.882 -2.066 651 1HB MET 80 2HB MET 80 8.460 10.756 -2.199 652 2HB MET 80 1HB MET 80 7.213 9.570 -1.845 653 1HG MET 80 2HG MET 80 7.225 8.826 -4.148 654 2HG MET 80 1HG MET 80 8.405 10.065 -4.565 655 1HE MET 80 1HE MET 80 10.447 9.771 -4.880 656 2HE MET 80 2HE MET 80 10.597 8.097 -5.410 657 3HE MET 80 3HE MET 80 11.617 8.705 -4.105 658 H ILE 81 H ILE 81 6.467 10.849 -5.468 659 HA ILE 81 HA ILE 81 8.315 12.800 -6.314 660 HB ILE 81 HB ILE 81 7.734 10.863 -7.710 661 1HG1 ILE 81 2HG1 ILE 81 6.917 13.091 -9.472 662 2HG1 ILE 81 1HG1 ILE 81 8.384 13.368 -8.537 663 1HG2 ILE 81 1HG2 ILE 81 5.374 10.691 -7.334 664 2HG2 ILE 81 2HG2 ILE 81 5.650 10.923 -9.058 665 3HG2 ILE 81 3HG2 ILE 81 5.093 12.267 -8.066 666 1HD1 ILE 81 1HD1 ILE 81 9.426 11.443 -9.489 667 2HD1 ILE 81 2HD1 ILE 81 8.772 12.432 -10.796 668 3HD1 ILE 81 3HD1 ILE 81 7.928 10.969 -10.287 669 H TYR 82 H TYR 82 4.799 12.887 -5.925 670 HA TYR 82 HA TYR 82 4.761 15.668 -6.847 671 1HB TYR 82 2HB TYR 82 3.009 13.767 -7.454 672 2HB TYR 82 1HB TYR 82 2.277 14.280 -5.937 673 HD1 TYR 82 2HD TYR 82 3.901 16.130 -8.759 674 HD2 TYR 82 1HD TYR 82 0.434 15.611 -6.346 675 HE1 TYR 82 2HE TYR 82 2.816 18.002 -9.922 676 HE2 TYR 82 1HE TYR 82 -0.657 17.482 -7.509 677 HH TYR 82 HH TYR 82 0.390 18.733 -10.380 678 H ASN 83 H ASN 83 5.980 14.821 -4.276 679 HA ASN 83 HA ASN 83 4.910 16.896 -2.661 680 1HB ASN 83 2HB ASN 83 3.538 14.521 -2.369 681 2HB ASN 83 1HB ASN 83 4.717 14.445 -1.063 682 1HD2 ASN 83 1HD2 ASN 83 4.948 16.984 -0.220 683 2HD2 ASN 83 2HD2 ASN 83 3.434 17.584 0.353 684 H LYS 84 H LYS 84 7.070 17.553 -2.763 685 HA LYS 84 HA LYS 84 9.224 15.912 -1.847 686 1HB LYS 84 2HB LYS 84 8.871 18.702 -2.778 687 2HB LYS 84 1HB LYS 84 10.231 18.425 -1.699 688 1HG LYS 84 2HG LYS 84 11.383 17.238 -3.232 689 2HG LYS 84 1HG LYS 84 9.930 16.513 -3.924 690 1HD LYS 84 2HD LYS 84 9.618 19.140 -4.596 691 2HD LYS 84 1HD LYS 84 11.370 18.953 -4.684 692 1HE LYS 84 2HE LYS 84 10.939 18.230 -6.771 693 2HE LYS 84 1HE LYS 84 10.576 16.710 -5.958 694 1HZ LYS 84 1HZ LYS 84 8.653 16.920 -7.084 695 2HZ LYS 84 2HZ LYS 84 8.782 18.598 -7.243 696 3HZ LYS 84 3HZ LYS 84 8.216 17.928 -5.797 697 HA PRO 85 HA PRO 85 9.414 16.607 2.510 698 1HB PRO 85 2HB PRO 85 11.982 18.075 2.339 699 2HB PRO 85 1HB PRO 85 11.600 16.569 3.178 700 1HG PRO 85 2HG PRO 85 13.061 16.572 0.943 701 2HG PRO 85 1HG PRO 85 11.892 15.281 1.275 702 1HD PRO 85 2HD PRO 85 11.645 17.640 -0.550 703 2HD PRO 85 1HD PRO 85 11.120 15.962 -0.799 704 H GLU 86 H GLU 86 7.649 18.217 2.075 705 HA GLU 86 HA GLU 86 8.383 21.013 2.392 706 1HB GLU 86 2HB GLU 86 6.429 19.864 0.959 707 2HB GLU 86 1HB GLU 86 5.539 20.157 2.446 708 1HG GLU 86 2HG GLU 86 5.488 22.380 2.134 709 2HG GLU 86 1HG GLU 86 7.110 22.432 1.447 710 H THR 87 H THR 87 6.043 18.860 4.029 711 HA THR 87 HA THR 87 6.814 20.098 6.577 712 HB THR 87 HB THR 87 4.415 20.096 7.260 713 HG1 THR 87 1HG THR 87 3.973 19.495 4.522 714 1HG2 THR 87 1HG2 THR 87 3.929 22.136 6.404 715 2HG2 THR 87 2HG2 THR 87 4.419 21.692 4.768 716 3HG2 THR 87 3HG2 THR 87 5.639 22.058 5.989 717 H ILE 88 H ILE 88 4.236 17.756 5.954 718 HA ILE 88 HA ILE 88 5.866 15.675 7.250 719 HB ILE 88 HB ILE 88 3.922 14.864 8.483 720 1HG1 ILE 88 2HG1 ILE 88 2.229 15.846 6.853 721 2HG1 ILE 88 1HG1 ILE 88 1.828 15.978 8.559 722 1HG2 ILE 88 1HG2 ILE 88 5.171 17.460 8.931 723 2HG2 ILE 88 2HG2 ILE 88 4.955 16.095 10.026 724 3HG2 ILE 88 3HG2 ILE 88 3.644 17.248 9.787 725 1HD1 ILE 88 1HD1 ILE 88 3.235 18.317 7.873 726 2HD1 ILE 88 2HD1 ILE 88 1.529 18.145 8.281 727 3HD1 ILE 88 3HD1 ILE 88 2.050 18.030 6.602 728 H TYR 89 H TYR 89 4.328 16.485 4.471 729 HA TYR 89 HA TYR 89 2.874 14.110 3.885 730 1HB TYR 89 2HB TYR 89 3.632 16.562 2.473 731 2HB TYR 89 1HB TYR 89 3.611 15.141 1.436 732 HD1 TYR 89 1HD TYR 89 1.384 13.575 2.438 733 HD2 TYR 89 2HD TYR 89 1.735 17.794 2.004 734 HE1 TYR 89 1HE TYR 89 -1.057 13.749 2.228 735 HE2 TYR 89 2HE TYR 89 -0.708 17.979 1.791 736 HH TYR 89 HH TYR 89 -2.713 15.335 1.231 737 H TYR 90 H TYR 90 6.152 15.238 3.065 738 HA TYR 90 HA TYR 90 6.876 12.991 1.517 739 1HB TYR 90 2HB TYR 90 8.112 15.151 1.513 740 2HB TYR 90 1HB TYR 90 8.706 14.788 3.129 741 HD1 TYR 90 1HD TYR 90 8.704 13.476 -0.361 742 HD2 TYR 90 2HD TYR 90 10.695 13.584 3.398 743 HE1 TYR 90 1HE TYR 90 10.612 12.279 -1.344 744 HE2 TYR 90 2HE TYR 90 12.610 12.387 2.426 745 HH TYR 90 HH TYR 90 12.948 10.772 0.411 746 H LYS 91 H LYS 91 7.449 13.744 4.949 747 HA LYS 91 HA LYS 91 8.792 11.325 5.546 748 1HB LYS 91 2HB LYS 91 8.809 13.464 6.909 749 2HB LYS 91 1HB LYS 91 7.221 12.999 7.501 750 1HG LYS 91 2HG LYS 91 8.049 11.419 8.875 751 2HG LYS 91 1HG LYS 91 9.316 10.944 7.743 752 1HD LYS 91 2HD LYS 91 10.698 11.974 9.183 753 2HD LYS 91 1HD LYS 91 10.114 13.457 8.427 754 1HE LYS 91 2HE LYS 91 8.957 12.173 10.901 755 2HE LYS 91 1HE LYS 91 10.029 13.571 10.881 756 1HZ LYS 91 1HZ LYS 91 7.661 14.158 11.098 757 2HZ LYS 91 2HZ LYS 91 7.360 13.485 9.575 758 3HZ LYS 91 3HZ LYS 91 8.370 14.833 9.721 759 H ALA 92 H ALA 92 5.387 12.263 5.606 760 HA ALA 92 HA ALA 92 4.332 10.102 7.030 761 1HB ALA 92 1HB ALA 92 3.220 11.929 4.937 762 2HB ALA 92 2HB ALA 92 2.802 11.797 6.646 763 3HB ALA 92 3HB ALA 92 2.269 10.559 5.509 764 H ALA 93 H ALA 93 4.904 10.463 3.535 765 HA ALA 93 HA ALA 93 3.942 7.901 2.808 766 1HB ALA 93 1HB ALA 93 4.575 8.416 0.668 767 2HB ALA 93 2HB ALA 93 6.056 9.226 1.182 768 3HB ALA 93 3HB ALA 93 4.499 10.035 1.362 769 H LYS 94 H LYS 94 7.173 9.118 3.615 770 HA LYS 94 HA LYS 94 8.613 6.789 2.986 771 1HB LYS 94 2HB LYS 94 9.290 9.289 3.828 772 2HB LYS 94 1HB LYS 94 9.602 8.354 5.282 773 1HG LYS 94 2HG LYS 94 11.628 8.116 4.326 774 2HG LYS 94 1HG LYS 94 10.823 6.782 3.498 775 1HD LYS 94 2HD LYS 94 10.645 9.485 2.273 776 2HD LYS 94 1HD LYS 94 12.196 8.646 2.188 777 1HE LYS 94 2HE LYS 94 10.692 6.637 1.390 778 2HE LYS 94 1HE LYS 94 9.572 7.929 0.963 779 1HZ LYS 94 1HZ LYS 94 11.779 8.891 -0.116 780 2HZ LYS 94 2HZ LYS 94 10.753 7.835 -0.949 781 3HZ LYS 94 3HZ LYS 94 12.153 7.243 -0.209 782 H LYS 95 H LYS 95 7.208 7.873 6.080 783 HA LYS 95 HA LYS 95 8.064 5.674 7.611 784 1HB LYS 95 2HB LYS 95 6.417 7.976 8.000 785 2HB LYS 95 1HB LYS 95 5.559 6.571 8.618 786 1HG LYS 95 2HG LYS 95 6.730 6.857 10.484 787 2HG LYS 95 1HG LYS 95 8.110 6.218 9.587 788 1HD LYS 95 2HD LYS 95 9.094 8.160 10.141 789 2HD LYS 95 1HD LYS 95 8.133 8.830 8.820 790 1HE LYS 95 2HE LYS 95 6.957 10.090 10.229 791 2HE LYS 95 1HE LYS 95 6.574 8.695 11.238 792 1HZ LYS 95 1HZ LYS 95 8.522 9.004 12.498 793 2HZ LYS 95 2HZ LYS 95 7.840 10.543 12.345 794 3HZ LYS 95 3HZ LYS 95 9.172 10.112 11.397 795 H LEU 96 H LEU 96 5.026 6.247 5.852 796 HA LEU 96 HA LEU 96 3.763 3.838 6.587 797 1HB LEU 96 2HB LEU 96 3.087 6.073 5.091 798 2HB LEU 96 1HB LEU 96 3.079 4.777 3.911 799 HG LEU 96 HG LEU 96 0.859 5.222 4.937 800 1HD1 LEU 96 1HD1 LEU 96 0.687 3.139 4.139 801 2HD1 LEU 96 2HD1 LEU 96 0.783 2.658 5.834 802 3HD1 LEU 96 3HD1 LEU 96 2.230 2.638 4.830 803 1HD2 LEU 96 1HD2 LEU 96 1.608 3.828 7.425 804 2HD2 LEU 96 2HD2 LEU 96 0.449 5.130 7.152 805 3HD2 LEU 96 3HD2 LEU 96 2.169 5.493 7.277 806 H LEU 97 H LEU 97 5.851 4.681 3.846 807 HA LEU 97 HA LEU 97 5.634 2.282 2.416 808 1HB LEU 97 2HB LEU 97 6.857 4.570 1.891 809 2HB LEU 97 1HB LEU 97 8.248 3.716 2.527 810 HG LEU 97 HG LEU 97 6.567 2.619 0.279 811 1HD1 LEU 97 1HD1 LEU 97 8.011 3.579 -1.303 812 2HD1 LEU 97 2HD1 LEU 97 9.162 4.088 -0.067 813 3HD1 LEU 97 3HD1 LEU 97 7.598 4.891 -0.200 814 1HD2 LEU 97 1HD2 LEU 97 8.774 1.433 -0.170 815 2HD2 LEU 97 2HD2 LEU 97 7.855 0.904 1.239 816 3HD2 LEU 97 3HD2 LEU 97 9.256 1.957 1.444 817 H HIS 98 H HIS 98 7.825 3.230 5.041 818 HA HIS 98 HA HIS 98 9.440 0.934 5.043 819 1HB HIS 98 2HB HIS 98 8.709 2.898 7.212 820 2HB HIS 98 1HB HIS 98 9.803 1.552 7.506 821 HD1 HIS 98 1HD HIS 98 10.508 2.577 4.180 822 HD2 HIS 98 2HD HIS 98 11.420 4.091 7.942 823 HE1 HIS 98 1HE HIS 98 12.480 4.094 3.833 824 HE2 HIS 98 2HE HIS 98 13.086 4.908 6.140 825 H SER 99 H SER 99 6.367 1.629 6.660 826 HA SER 99 HA SER 99 6.288 -0.801 8.149 827 1HB SER 99 2HB SER 99 4.927 1.425 8.474 828 2HB SER 99 1HB SER 99 3.792 0.665 7.358 829 HG SER 99 HG SER 99 3.471 -0.975 8.795 830 H GLY 100 H GLY 100 5.024 0.213 5.004 831 1HA GLY 100 2HA GLY 100 3.503 -2.133 4.508 832 2HA GLY 100 1HA GLY 100 4.029 -0.966 3.303 833 H MET 101 H MET 101 6.861 -1.255 3.745 834 HA MET 101 HA MET 101 7.334 -3.503 2.086 835 1HB MET 101 2HB MET 101 9.704 -2.924 2.324 836 2HB MET 101 1HB MET 101 8.734 -1.520 1.934 837 1HG MET 101 2HG MET 101 8.865 -0.732 4.186 838 2HG MET 101 1HG MET 101 9.652 -2.218 4.711 839 1HE MET 101 1HE MET 101 12.313 -2.352 4.911 840 2HE MET 101 2HE MET 101 13.215 -1.973 3.443 841 3HE MET 101 3HE MET 101 11.831 -3.063 3.371 842 H LYS 102 H LYS 102 7.845 -2.890 5.551 843 HA LYS 102 HA LYS 102 9.193 -5.334 6.055 844 1HB LYS 102 2HB LYS 102 8.722 -4.898 8.435 845 2HB LYS 102 1HB LYS 102 9.405 -3.502 7.619 846 1HG LYS 102 2HG LYS 102 7.171 -2.514 7.456 847 2HG LYS 102 1HG LYS 102 6.500 -3.910 8.302 848 1HD LYS 102 2HD LYS 102 6.780 -2.209 9.927 849 2HD LYS 102 1HD LYS 102 8.082 -3.369 10.191 850 1HE LYS 102 2HE LYS 102 9.595 -1.915 8.886 851 2HE LYS 102 1HE LYS 102 8.292 -0.741 8.727 852 1HZ LYS 102 1HZ LYS 102 10.092 -0.618 10.646 853 2HZ LYS 102 2HZ LYS 102 8.962 -1.601 11.431 854 3HZ LYS 102 3HZ LYS 102 8.504 -0.077 10.860 855 H ILE 103 H ILE 103 5.766 -4.383 6.428 856 HA ILE 103 HA ILE 103 4.887 -6.845 7.456 857 HB ILE 103 HB ILE 103 2.628 -6.136 6.678 858 1HG1 ILE 103 2HG1 ILE 103 2.890 -3.476 6.073 859 2HG1 ILE 103 1HG1 ILE 103 4.237 -4.189 5.197 860 1HG2 ILE 103 1HG2 ILE 103 2.523 -4.132 8.172 861 2HG2 ILE 103 2HG2 ILE 103 4.280 -4.219 8.290 862 3HG2 ILE 103 3HG2 ILE 103 3.290 -5.554 8.876 863 1HD1 ILE 103 1HD1 ILE 103 2.411 -5.874 4.378 864 2HD1 ILE 103 2HD1 ILE 103 2.586 -4.289 3.624 865 3HD1 ILE 103 3HD1 ILE 103 1.315 -4.564 4.815 866 H LEU 104 H LEU 104 5.216 -5.652 4.136 867 HA LEU 104 HA LEU 104 3.905 -7.820 2.883 868 1HB LEU 104 2HB LEU 104 5.622 -5.581 2.042 869 2HB LEU 104 1HB LEU 104 5.674 -6.986 0.994 870 HG LEU 104 HG LEU 104 2.997 -5.952 1.791 871 1HD1 LEU 104 1HD1 LEU 104 3.132 -4.428 -0.242 872 2HD1 LEU 104 2HD1 LEU 104 4.883 -4.570 -0.091 873 3HD1 LEU 104 3HD1 LEU 104 3.936 -3.881 1.228 874 1HD2 LEU 104 1HD2 LEU 104 2.911 -6.492 -0.847 875 2HD2 LEU 104 2HD2 LEU 104 2.627 -7.694 0.410 876 3HD2 LEU 104 3HD2 LEU 104 4.212 -7.572 -0.348 877 H SER 105 H SER 105 7.184 -7.391 4.053 878 HA SER 105 HA SER 105 8.372 -9.547 2.658 879 1HB SER 105 2HB SER 105 9.154 -8.336 5.323 880 2HB SER 105 1HB SER 105 10.161 -9.409 4.351 881 HG SER 105 HG SER 105 10.618 -7.158 4.037 882 H GLN 106 H GLN 106 6.491 -9.366 5.617 883 HA GLN 106 HA GLN 106 7.149 -11.938 6.609 884 1HB GLN 106 2HB GLN 106 5.066 -9.899 7.182 885 2HB GLN 106 1HB GLN 106 4.740 -11.546 7.708 886 1HG GLN 106 2HG GLN 106 6.984 -11.499 8.850 887 2HG GLN 106 1HG GLN 106 7.027 -9.772 8.506 888 1HE2 GLN 106 1HE2 GLN 106 4.749 -8.741 9.094 889 2HE2 GLN 106 2HE2 GLN 106 4.229 -9.093 10.703 890 H GLU 107 H GLU 107 4.834 -10.820 4.229 891 HA GLU 107 HA GLU 107 3.051 -12.946 4.169 892 1HB GLU 107 2HB GLU 107 3.936 -10.884 2.251 893 2HB GLU 107 1HB GLU 107 3.235 -12.323 1.527 894 1HG GLU 107 2HG GLU 107 1.891 -10.685 3.665 895 2HG GLU 107 1HG GLU 107 1.623 -10.477 1.937 896 H ARG 108 H ARG 108 6.148 -12.615 2.446 897 HA ARG 108 HA ARG 108 5.963 -15.433 1.640 898 1HB ARG 108 2HB ARG 108 8.046 -14.773 0.250 899 2HB ARG 108 1HB ARG 108 6.464 -14.210 -0.266 900 1HG ARG 108 2HG ARG 108 6.943 -12.042 0.152 901 2HG ARG 108 1HG ARG 108 7.976 -12.419 1.530 902 1HD ARG 108 2HD ARG 108 9.649 -13.321 -0.143 903 2HD ARG 108 1HD ARG 108 8.654 -12.583 -1.396 904 HE ARG 108 HE ARG 108 9.102 -10.542 0.323 905 1HH1 ARG 108 1HH1 ARG 108 11.224 -12.791 -1.319 906 2HH1 ARG 108 2HH1 ARG 108 12.551 -11.682 -1.385 907 1HH2 ARG 108 1HH2 ARG 108 10.853 -9.085 0.231 908 2HH2 ARG 108 2HH2 ARG 108 12.340 -9.578 -0.505 909 H LEU 109 H LEU 109 8.083 -13.166 3.337 910 HA LEU 109 HA LEU 109 9.950 -13.446 4.602 911 1HB LEU 109 2HB LEU 109 9.637 -14.813 6.499 912 2HB LEU 109 1HB LEU 109 8.048 -14.248 6.030 913 HG LEU 109 HG LEU 109 8.757 -16.857 4.889 914 1HD1 LEU 109 1HD1 LEU 109 8.753 -18.137 6.832 915 2HD1 LEU 109 2HD1 LEU 109 8.184 -16.797 7.829 916 3HD1 LEU 109 3HD1 LEU 109 9.838 -16.801 7.215 917 1HD2 LEU 109 1HD2 LEU 109 6.546 -16.424 4.604 918 2HD2 LEU 109 2HD2 LEU 109 6.428 -15.465 6.079 919 3HD2 LEU 109 3HD2 LEU 109 6.453 -17.226 6.171 920 H GLU 110 H GLU 110 11.238 -15.691 5.665 921 HA GLU 110 HA GLU 110 12.470 -16.797 3.239 922 1HB GLU 110 2HB GLU 110 13.485 -16.362 6.044 923 2HB GLU 110 1HB GLU 110 14.337 -17.392 4.901 924 1HG GLU 110 2HG GLU 110 13.627 -14.685 3.959 925 2HG GLU 110 1HG GLU 110 14.858 -14.788 5.217 926 H HIS 111 H HIS 111 11.824 -18.779 2.695 927 HA HIS 111 HA HIS 111 11.248 -20.976 2.801 928 1HB HIS 111 2HB HIS 111 12.675 -20.637 5.419 929 2HB HIS 111 1HB HIS 111 11.815 -22.136 5.095 930 HD1 HIS 111 1HD HIS 111 12.602 -22.305 2.036 931 HD2 HIS 111 2HD HIS 111 15.220 -21.644 5.196 932 HE1 HIS 111 1HE HIS 111 14.854 -23.047 1.207 933 HE2 HIS 111 2HE HIS 111 16.406 -22.722 3.167 934 H HIS 112 H HIS 112 9.971 -22.594 4.464 935 HA HIS 112 HA HIS 112 7.689 -21.027 5.476 936 1HB HIS 112 2HB HIS 112 7.742 -23.533 3.823 937 2HB HIS 112 1HB HIS 112 6.369 -23.189 4.867 938 HD1 HIS 112 1HD HIS 112 6.376 -20.052 4.278 939 HD2 HIS 112 2HD HIS 112 6.399 -23.098 1.449 940 HE1 HIS 112 1HE HIS 112 5.408 -19.038 2.192 941 HE2 HIS 112 2HE HIS 112 5.345 -20.924 0.522 942 H HIS 113 H HIS 113 8.649 -24.467 5.642 943 HA HIS 113 HA HIS 113 7.850 -24.595 8.405 944 1HB HIS 113 2HB HIS 113 8.668 -26.512 6.318 945 2HB HIS 113 1HB HIS 113 9.139 -26.958 7.953 946 HD1 HIS 113 1HD HIS 113 6.726 -26.199 9.583 947 HD2 HIS 113 2HD HIS 113 6.439 -27.957 5.828 948 HE1 HIS 113 1HE HIS 113 4.454 -27.273 9.515 949 HE2 HIS 113 2HE HIS 113 4.271 -28.261 7.205 950 H HIS 114 H HIS 114 9.088 -24.199 10.115 951 HA HIS 114 HA HIS 114 11.878 -23.573 9.773 952 1HB HIS 114 2HB HIS 114 9.935 -23.422 12.049 953 2HB HIS 114 1HB HIS 114 11.661 -23.327 12.379 954 HD1 HIS 114 1HD HIS 114 12.358 -21.620 9.791 955 HD2 HIS 114 2HD HIS 114 9.389 -20.765 12.571 956 HE1 HIS 114 1HE HIS 114 11.950 -19.147 9.600 957 HE2 HIS 114 2HE HIS 114 10.235 -18.637 11.372 958 H HIS 115 H HIS 115 13.543 -24.885 10.059 959 HA HIS 115 HA HIS 115 13.544 -27.016 11.976 960 1HB HIS 115 2HB HIS 115 12.463 -27.707 9.550 961 2HB HIS 115 1HB HIS 115 14.154 -28.151 9.336 962 HD1 HIS 115 1HD HIS 115 14.769 -29.219 12.160 963 HD2 HIS 115 2HD HIS 115 11.332 -30.138 10.009 964 HE1 HIS 115 1HE HIS 115 13.946 -31.399 13.106 965 HE2 HIS 115 2HE HIS 115 11.812 -31.883 11.856 966 H HIS 116 H HIS 116 15.120 -25.722 9.057 967 HA HIS 116 HA HIS 116 17.741 -26.470 10.087 968 1HB HIS 116 2HB HIS 116 16.935 -25.145 7.485 969 2HB HIS 116 1HB HIS 116 18.571 -25.640 7.902 970 HD1 HIS 116 1HD HIS 116 17.977 -28.453 9.028 971 HD2 HIS 116 2HD HIS 116 16.340 -26.939 5.521 972 HE1 HIS 116 1HE HIS 116 17.335 -30.463 7.664 973 HE2 HIS 116 2HE HIS 116 16.441 -29.524 5.504 Start of MODEL 3 1 1H MET 0 1HT MET 0 -4.566 -27.639 -5.147 2 2H MET 0 2HT MET 0 -3.486 -28.812 -4.515 3 3H MET 0 3HT MET 0 -3.278 -28.225 -6.113 4 HA MET 0 HA MET 0 -2.826 -26.867 -3.557 5 1HB MET 0 2HB MET 0 -0.607 -26.545 -4.445 6 2HB MET 0 1HB MET 0 -1.036 -28.241 -4.596 7 1HG MET 0 2HG MET 0 -1.815 -26.992 -6.999 8 2HG MET 0 1HG MET 0 -0.201 -26.403 -6.612 9 1HE MET 0 1HE MET 0 1.157 -29.926 -5.497 10 2HE MET 0 2HE MET 0 1.153 -28.193 -5.173 11 3HE MET 0 3HE MET 0 2.110 -28.838 -6.506 12 H GLU 1 H GLU 1 -3.755 -26.374 -6.916 13 HA GLU 1 HA GLU 1 -3.515 -23.475 -6.587 14 1HB GLU 1 2HB GLU 1 -3.522 -25.299 -8.889 15 2HB GLU 1 1HB GLU 1 -4.495 -23.853 -9.121 16 1HG GLU 1 2HG GLU 1 -1.732 -23.574 -8.053 17 2HG GLU 1 1HG GLU 1 -1.967 -23.885 -9.773 18 H GLU 2 H GLU 2 -5.311 -22.090 -7.192 19 HA GLU 2 HA GLU 2 -7.441 -21.355 -6.925 20 1HB GLU 2 2HB GLU 2 -7.837 -24.031 -8.207 21 2HB GLU 2 1HB GLU 2 -9.240 -23.138 -7.640 22 1HG GLU 2 2HG GLU 2 -9.192 -21.777 -9.386 23 2HG GLU 2 1HG GLU 2 -7.472 -21.450 -9.172 24 H VAL 3 H VAL 3 -6.113 -22.621 -4.655 25 HA VAL 3 HA VAL 3 -8.517 -23.276 -3.096 26 HB VAL 3 HB VAL 3 -7.177 -24.876 -1.731 27 1HG1 VAL 3 1HG1 VAL 3 -7.137 -26.672 -3.566 28 2HG1 VAL 3 2HG1 VAL 3 -7.751 -25.400 -4.624 29 3HG1 VAL 3 3HG1 VAL 3 -8.672 -25.883 -3.199 30 1HG2 VAL 3 1HG2 VAL 3 -4.949 -24.625 -2.013 31 2HG2 VAL 3 2HG2 VAL 3 -5.107 -24.107 -3.690 32 3HG2 VAL 3 3HG2 VAL 3 -5.201 -25.819 -3.285 33 H GLU 4 H GLU 4 -5.141 -22.151 -2.997 34 HA GLU 4 HA GLU 4 -5.572 -21.029 -0.340 35 1HB GLU 4 2HB GLU 4 -3.073 -20.942 -2.035 36 2HB GLU 4 1HB GLU 4 -3.202 -20.563 -0.324 37 1HG GLU 4 2HG GLU 4 -3.885 -22.934 0.068 38 2HG GLU 4 1HG GLU 4 -3.517 -23.253 -1.626 39 H GLN 5 H GLN 5 -7.171 -19.841 -2.271 40 HA GLN 5 HA GLN 5 -5.888 -17.324 -2.994 41 1HB GLN 5 2HB GLN 5 -7.913 -16.854 -4.262 42 2HB GLN 5 1HB GLN 5 -7.291 -18.445 -4.675 43 1HG GLN 5 2HG GLN 5 -8.970 -19.452 -3.173 44 2HG GLN 5 1HG GLN 5 -9.621 -17.843 -2.864 45 1HE2 GLN 5 1HE2 GLN 5 -11.106 -19.980 -3.931 46 2HE2 GLN 5 2HE2 GLN 5 -11.572 -19.562 -5.541 47 H THR 6 H THR 6 -8.299 -18.618 -0.805 48 HA THR 6 HA THR 6 -9.253 -16.056 0.053 49 HB THR 6 HB THR 6 -9.845 -17.987 2.037 50 HG1 THR 6 1HG THR 6 -10.309 -19.777 0.992 51 1HG2 THR 6 1HG2 THR 6 -11.818 -17.599 -0.105 52 2HG2 THR 6 2HG2 THR 6 -11.236 -16.134 0.685 53 3HG2 THR 6 3HG2 THR 6 -11.975 -17.416 1.642 54 HA PRO 7 HA PRO 7 -6.541 -17.287 4.014 55 1HB PRO 7 2HB PRO 7 -4.415 -18.706 2.480 56 2HB PRO 7 1HB PRO 7 -5.024 -19.012 4.111 57 1HG PRO 7 2HG PRO 7 -5.716 -20.598 2.094 58 2HG PRO 7 1HG PRO 7 -6.891 -20.153 3.345 59 1HD PRO 7 2HD PRO 7 -6.622 -19.142 0.549 60 2HD PRO 7 1HD PRO 7 -8.087 -19.445 1.506 61 H LEU 8 H LEU 8 -4.907 -16.900 0.858 62 HA LEU 8 HA LEU 8 -2.865 -15.189 1.757 63 1HB LEU 8 2HB LEU 8 -3.836 -16.176 -0.772 64 2HB LEU 8 1HB LEU 8 -3.449 -14.470 -0.900 65 HG LEU 8 HG LEU 8 -1.220 -15.269 0.325 66 1HD1 LEU 8 1HD1 LEU 8 -0.538 -17.428 -0.117 67 2HD1 LEU 8 2HD1 LEU 8 -1.728 -17.656 -1.398 68 3HD1 LEU 8 3HD1 LEU 8 -2.239 -17.654 0.290 69 1HD2 LEU 8 1HD2 LEU 8 -1.406 -15.846 -2.598 70 2HD2 LEU 8 2HD2 LEU 8 -0.148 -15.005 -1.696 71 3HD2 LEU 8 3HD2 LEU 8 -1.690 -14.208 -2.010 72 H GLN 9 H GLN 9 -6.122 -14.520 0.554 73 HA GLN 9 HA GLN 9 -5.933 -11.725 0.367 74 1HB GLN 9 2HB GLN 9 -7.803 -13.276 -0.454 75 2HB GLN 9 1HB GLN 9 -8.428 -13.203 1.188 76 1HG GLN 9 2HG GLN 9 -8.273 -10.618 0.810 77 2HG GLN 9 1HG GLN 9 -8.305 -11.078 -0.891 78 1HE2 GLN 9 1HE2 GLN 9 -10.317 -9.844 -0.876 79 2HE2 GLN 9 2HE2 GLN 9 -11.778 -10.635 -0.399 80 H GLU 10 H GLU 10 -6.741 -13.835 3.093 81 HA GLU 10 HA GLU 10 -7.562 -11.860 4.904 82 1HB GLU 10 2HB GLU 10 -7.816 -14.355 5.161 83 2HB GLU 10 1HB GLU 10 -6.118 -14.417 5.616 84 1HG GLU 10 2HG GLU 10 -6.554 -13.764 7.695 85 2HG GLU 10 1HG GLU 10 -7.588 -12.445 7.151 86 H ALA 11 H ALA 11 -4.338 -13.260 4.337 87 HA ALA 11 HA ALA 11 -2.976 -11.797 6.327 88 1HB ALA 11 1HB ALA 11 -1.867 -13.683 5.453 89 2HB ALA 11 2HB ALA 11 -0.940 -12.297 4.881 90 3HB ALA 11 3HB ALA 11 -2.052 -13.125 3.791 91 H LEU 12 H LEU 12 -3.750 -11.080 2.959 92 HA LEU 12 HA LEU 12 -2.162 -8.765 2.694 93 1HB LEU 12 2HB LEU 12 -3.933 -10.229 1.082 94 2HB LEU 12 1HB LEU 12 -4.599 -8.608 1.149 95 HG LEU 12 HG LEU 12 -1.694 -8.867 0.568 96 1HD1 LEU 12 1HD1 LEU 12 -3.433 -9.042 -1.794 97 2HD1 LEU 12 2HD1 LEU 12 -3.327 -10.510 -0.824 98 3HD1 LEU 12 3HD1 LEU 12 -1.863 -9.778 -1.479 99 1HD2 LEU 12 1HD2 LEU 12 -1.936 -6.809 -0.352 100 2HD2 LEU 12 2HD2 LEU 12 -3.326 -6.758 0.732 101 3HD2 LEU 12 3HD2 LEU 12 -3.552 -7.150 -0.973 102 H ASN 13 H ASN 13 -5.568 -9.197 3.643 103 HA ASN 13 HA ASN 13 -6.210 -6.471 3.894 104 1HB ASN 13 2HB ASN 13 -7.355 -8.849 5.377 105 2HB ASN 13 1HB ASN 13 -8.067 -7.240 5.353 106 1HD2 ASN 13 1HD2 ASN 13 -8.630 -10.117 4.222 107 2HD2 ASN 13 2HD2 ASN 13 -9.238 -9.768 2.643 108 H GLN 14 H GLN 14 -4.870 -8.784 6.222 109 HA GLN 14 HA GLN 14 -4.940 -7.068 8.464 110 1HB GLN 14 2HB GLN 14 -3.185 -9.451 7.848 111 2HB GLN 14 1HB GLN 14 -3.217 -8.633 9.404 112 1HG GLN 14 2HG GLN 14 -5.626 -9.158 9.585 113 2HG GLN 14 1HG GLN 14 -5.506 -10.069 8.082 114 1HE2 GLN 14 1HE2 GLN 14 -4.434 -12.037 8.064 115 2HE2 GLN 14 2HE2 GLN 14 -4.021 -12.878 9.516 116 H LEU 15 H LEU 15 -2.436 -7.717 6.037 117 HA LEU 15 HA LEU 15 -0.369 -6.204 7.157 118 1HB LEU 15 2HB LEU 15 0.170 -7.651 5.376 119 2HB LEU 15 1HB LEU 15 -1.052 -6.960 4.328 120 HG LEU 15 HG LEU 15 1.147 -5.158 5.190 121 1HD1 LEU 15 1HD1 LEU 15 1.537 -7.334 3.141 122 2HD1 LEU 15 2HD1 LEU 15 2.329 -7.245 4.714 123 3HD1 LEU 15 3HD1 LEU 15 2.659 -6.020 3.490 124 1HD2 LEU 15 1HD2 LEU 15 0.707 -4.066 3.226 125 2HD2 LEU 15 2HD2 LEU 15 -0.881 -4.758 3.557 126 3HD2 LEU 15 3HD2 LEU 15 0.193 -5.533 2.394 127 H MET 16 H MET 16 -2.935 -5.257 4.891 128 HA MET 16 HA MET 16 -2.114 -2.565 4.589 129 1HB MET 16 2HB MET 16 -4.787 -3.916 4.193 130 2HB MET 16 1HB MET 16 -4.508 -2.219 3.827 131 1HG MET 16 2HG MET 16 -3.074 -4.549 2.573 132 2HG MET 16 1HG MET 16 -4.366 -3.607 1.833 133 1HE MET 16 1HE MET 16 -4.156 -0.947 1.515 134 2HE MET 16 2HE MET 16 -2.630 -0.066 1.575 135 3HE MET 16 3HE MET 16 -3.375 -0.639 3.066 136 H ARG 17 H ARG 17 -4.340 -4.154 6.845 137 HA ARG 17 HA ARG 17 -5.325 -1.785 8.039 138 1HB ARG 17 2HB ARG 17 -5.218 -4.659 8.921 139 2HB ARG 17 1HB ARG 17 -5.818 -3.405 9.999 140 1HG ARG 17 2HG ARG 17 -7.279 -2.829 7.841 141 2HG ARG 17 1HG ARG 17 -7.030 -4.554 7.561 142 1HD ARG 17 2HD ARG 17 -8.025 -3.441 10.175 143 2HD ARG 17 1HD ARG 17 -9.103 -3.914 8.865 144 HE ARG 17 HE ARG 17 -7.312 -6.019 9.503 145 1HH1 ARG 17 1HH1 ARG 17 -10.196 -4.412 10.676 146 2HH1 ARG 17 2HH1 ARG 17 -10.780 -5.806 11.516 147 1HH2 ARG 17 1HH2 ARG 17 -8.092 -7.856 10.619 148 2HH2 ARG 17 2HH2 ARG 17 -9.587 -7.758 11.484 149 H GLN 18 H GLN 18 -2.534 -3.843 8.738 150 HA GLN 18 HA GLN 18 -1.831 -2.617 11.191 151 1HB GLN 18 2HB GLN 18 -1.003 -4.845 10.022 152 2HB GLN 18 1HB GLN 18 0.270 -3.789 9.428 153 1HG GLN 18 2HG GLN 18 0.692 -3.126 11.813 154 2HG GLN 18 1HG GLN 18 -0.415 -4.414 12.285 155 1HE2 GLN 18 1HE2 GLN 18 0.258 -6.389 10.492 156 2HE2 GLN 18 2HE2 GLN 18 1.878 -6.909 10.789 157 H LEU 19 H LEU 19 -0.657 -2.101 7.861 158 HA LEU 19 HA LEU 19 1.139 -0.017 8.575 159 1HB LEU 19 2HB LEU 19 1.275 0.442 6.162 160 2HB LEU 19 1HB LEU 19 1.512 -1.249 6.549 161 HG LEU 19 HG LEU 19 -1.077 -1.384 5.989 162 1HD1 LEU 19 1HD1 LEU 19 -0.494 0.532 3.859 163 2HD1 LEU 19 2HD1 LEU 19 -0.683 1.262 5.453 164 3HD1 LEU 19 3HD1 LEU 19 -1.975 0.269 4.780 165 1HD2 LEU 19 1HD2 LEU 19 1.382 -1.741 4.500 166 2HD2 LEU 19 2HD2 LEU 19 0.009 -1.408 3.444 167 3HD2 LEU 19 3HD2 LEU 19 -0.055 -2.761 4.572 168 H GLN 20 H GLN 20 -2.213 -0.047 7.454 169 HA GLN 20 HA GLN 20 -2.440 2.754 7.078 170 1HB GLN 20 2HB GLN 20 -3.970 0.937 6.161 171 2HB GLN 20 1HB GLN 20 -4.713 0.893 7.754 172 1HG GLN 20 2HG GLN 20 -4.624 3.597 6.942 173 2HG GLN 20 1HG GLN 20 -5.230 2.652 5.581 174 1HE2 GLN 20 1HE2 GLN 20 -7.359 2.582 5.545 175 2HE2 GLN 20 2HE2 GLN 20 -8.401 2.500 6.919 176 H ARG 21 H ARG 21 -2.999 0.638 9.837 177 HA ARG 21 HA ARG 21 -4.244 2.555 11.511 178 1HB ARG 21 2HB ARG 21 -4.272 0.043 11.781 179 2HB ARG 21 1HB ARG 21 -2.635 0.167 12.408 180 1HG ARG 21 2HG ARG 21 -3.930 1.970 13.972 181 2HG ARG 21 1HG ARG 21 -5.204 0.784 13.679 182 1HD ARG 21 2HD ARG 21 -2.682 -0.504 14.280 183 2HD ARG 21 1HD ARG 21 -3.147 0.618 15.557 184 HE ARG 21 HE ARG 21 -4.903 -0.757 16.104 185 1HH1 ARG 21 1HH1 ARG 21 -3.557 -1.790 13.037 186 2HH1 ARG 21 2HH1 ARG 21 -4.464 -3.263 12.994 187 1HH2 ARG 21 1HH2 ARG 21 -6.099 -2.698 16.039 188 2HH2 ARG 21 2HH2 ARG 21 -5.907 -3.779 14.699 189 H LYS 22 H LYS 22 -0.975 2.188 10.541 190 HA LYS 22 HA LYS 22 0.543 2.920 12.685 191 1HB LYS 22 2HB LYS 22 1.144 2.515 10.155 192 2HB LYS 22 1HB LYS 22 1.076 4.267 10.066 193 1HG LYS 22 2HG LYS 22 3.122 4.414 10.893 194 2HG LYS 22 1HG LYS 22 2.632 3.528 12.340 195 1HD LYS 22 2HD LYS 22 2.866 1.437 10.793 196 2HD LYS 22 1HD LYS 22 3.865 2.509 9.814 197 1HE LYS 22 2HE LYS 22 5.462 1.597 11.173 198 2HE LYS 22 1HE LYS 22 5.016 3.013 12.124 199 1HZ LYS 22 1HZ LYS 22 3.510 1.596 13.411 200 2HZ LYS 22 2HZ LYS 22 5.111 1.066 13.519 201 3HZ LYS 22 3HZ LYS 22 4.014 0.244 12.526 202 H ASP 23 H ASP 23 -0.474 5.404 10.309 203 HA ASP 23 HA ASP 23 -1.828 7.160 11.831 204 1HB ASP 23 2HB ASP 23 0.866 7.060 12.808 205 2HB ASP 23 1HB ASP 23 0.547 8.655 12.143 206 HA PRO 24 HA PRO 24 0.558 9.737 8.419 207 1HB PRO 24 2HB PRO 24 2.052 7.529 7.128 208 2HB PRO 24 1HB PRO 24 2.576 9.172 7.506 209 1HG PRO 24 2HG PRO 24 3.461 7.094 8.926 210 2HG PRO 24 1HG PRO 24 3.096 8.645 9.701 211 1HD PRO 24 2HD PRO 24 1.485 6.131 9.660 212 2HD PRO 24 1HD PRO 24 1.771 7.272 10.987 213 H SER 25 H SER 25 -0.675 6.494 8.072 214 HA SER 25 HA SER 25 -1.375 6.572 5.339 215 1HB SER 25 2HB SER 25 -1.704 4.763 7.541 216 2HB SER 25 1HB SER 25 -3.245 4.936 6.701 217 HG SER 25 HG SER 25 -2.449 3.758 5.167 218 H ALA 26 H ALA 26 -2.833 7.996 8.140 219 HA ALA 26 HA ALA 26 -5.503 8.190 7.409 220 1HB ALA 26 1HB ALA 26 -4.241 10.532 8.725 221 2HB ALA 26 2HB ALA 26 -4.167 8.975 9.549 222 3HB ALA 26 3HB ALA 26 -5.728 9.673 9.122 223 H PHE 27 H PHE 27 -2.757 9.932 6.123 224 HA PHE 27 HA PHE 27 -4.244 12.084 4.983 225 1HB PHE 27 2HB PHE 27 -1.464 11.034 4.458 226 2HB PHE 27 1HB PHE 27 -2.134 12.430 3.621 227 HD1 PHE 27 2HD PHE 27 -1.010 11.133 6.873 228 HD2 PHE 27 1HD PHE 27 -2.358 14.541 4.709 229 HE1 PHE 27 2HE PHE 27 -0.298 12.586 8.726 230 HE2 PHE 27 1HE PHE 27 -1.649 16.000 6.559 231 HZ PHE 27 HZ PHE 27 -0.617 15.024 8.570 232 H PHE 28 H PHE 28 -2.778 9.151 3.553 233 HA PHE 28 HA PHE 28 -4.359 9.617 1.121 234 1HB PHE 28 2HB PHE 28 -2.221 7.519 1.448 235 2HB PHE 28 1HB PHE 28 -2.832 8.237 -0.039 236 HD1 PHE 28 1HD PHE 28 -2.498 10.865 -0.176 237 HD2 PHE 28 2HD PHE 28 -0.181 8.224 2.224 238 HE1 PHE 28 1HE PHE 28 -0.678 12.516 -0.124 239 HE2 PHE 28 2HE PHE 28 1.645 9.870 2.280 240 HZ PHE 28 HZ PHE 28 1.398 12.021 1.105 241 H SER 29 H SER 29 -5.592 8.627 3.564 242 HA SER 29 HA SER 29 -6.049 5.809 3.247 243 1HB SER 29 2HB SER 29 -6.168 7.246 5.414 244 2HB SER 29 1HB SER 29 -7.808 7.614 4.881 245 HG SER 29 HG SER 29 -6.697 5.160 5.679 246 H PHE 30 H PHE 30 -7.238 8.508 1.620 247 HA PHE 30 HA PHE 30 -9.595 6.999 0.731 248 1HB PHE 30 2HB PHE 30 -10.361 9.525 0.207 249 2HB PHE 30 1HB PHE 30 -10.751 8.700 1.707 250 HD1 PHE 30 1HD PHE 30 -8.076 10.830 0.217 251 HD2 PHE 30 2HD PHE 30 -10.295 9.771 3.691 252 HE1 PHE 30 1HE PHE 30 -6.953 12.620 1.475 253 HE2 PHE 30 2HE PHE 30 -9.176 11.558 4.954 254 HZ PHE 30 HZ PHE 30 -7.504 12.988 3.848 255 HA PRO 31 HA PRO 31 -8.076 7.448 -3.385 256 1HB PRO 31 2HB PRO 31 -10.341 7.884 -4.830 257 2HB PRO 31 1HB PRO 31 -9.918 6.311 -4.146 258 1HG PRO 31 2HG PRO 31 -11.810 8.381 -3.105 259 2HG PRO 31 1HG PRO 31 -12.001 6.619 -3.171 260 1HD PRO 31 2HD PRO 31 -11.303 7.924 -0.903 261 2HD PRO 31 1HD PRO 31 -10.734 6.283 -1.275 262 H VAL 32 H VAL 32 -6.833 9.271 -3.531 263 HA VAL 32 HA VAL 32 -7.766 11.899 -3.323 264 HB VAL 32 HB VAL 32 -5.637 12.488 -4.652 265 1HG1 VAL 32 1HG1 VAL 32 -5.538 11.063 -1.999 266 2HG1 VAL 32 2HG1 VAL 32 -5.823 12.783 -2.274 267 3HG1 VAL 32 3HG1 VAL 32 -4.249 12.078 -2.649 268 1HG2 VAL 32 1HG2 VAL 32 -4.439 9.962 -3.902 269 2HG2 VAL 32 2HG2 VAL 32 -4.304 10.878 -5.400 270 3HG2 VAL 32 3HG2 VAL 32 -5.665 9.786 -5.154 271 H THR 33 H THR 33 -7.907 13.555 -4.933 272 HA THR 33 HA THR 33 -8.389 12.694 -7.674 273 HB THR 33 HB THR 33 -10.588 13.849 -7.726 274 HG1 THR 33 1HG THR 33 -11.550 14.445 -5.786 275 1HG2 THR 33 1HG2 THR 33 -10.504 11.405 -7.327 276 2HG2 THR 33 2HG2 THR 33 -11.916 12.196 -6.629 277 3HG2 THR 33 3HG2 THR 33 -10.567 11.728 -5.594 278 H ASP 34 H ASP 34 -9.450 14.989 -8.710 279 HA ASP 34 HA ASP 34 -7.199 16.721 -8.775 280 1HB ASP 34 2HB ASP 34 -9.268 16.196 -10.476 281 2HB ASP 34 1HB ASP 34 -9.728 17.773 -9.847 282 H PHE 35 H PHE 35 -9.712 16.485 -6.553 283 HA PHE 35 HA PHE 35 -9.364 19.293 -5.734 284 1HB PHE 35 2HB PHE 35 -11.641 19.027 -6.421 285 2HB PHE 35 1HB PHE 35 -11.786 17.496 -5.567 286 HD1 PHE 35 1HD PHE 35 -11.823 17.489 -3.072 287 HD2 PHE 35 2HD PHE 35 -12.067 21.075 -5.344 288 HE1 PHE 35 1HE PHE 35 -12.722 18.669 -1.104 289 HE2 PHE 35 2HE PHE 35 -12.964 22.263 -3.385 290 HZ PHE 35 HZ PHE 35 -13.292 21.061 -1.262 291 H ILE 36 H ILE 36 -9.889 15.954 -4.668 292 HA ILE 36 HA ILE 36 -9.527 16.396 -1.911 293 HB ILE 36 HB ILE 36 -9.287 13.958 -3.657 294 1HG1 ILE 36 2HG1 ILE 36 -11.193 14.474 -1.381 295 2HG1 ILE 36 1HG1 ILE 36 -11.516 15.054 -3.012 296 1HG2 ILE 36 1HG2 ILE 36 -7.709 13.482 -1.991 297 2HG2 ILE 36 2HG2 ILE 36 -9.189 12.663 -1.488 298 3HG2 ILE 36 3HG2 ILE 36 -8.713 14.180 -0.722 299 1HD1 ILE 36 1HD1 ILE 36 -12.675 13.021 -2.779 300 2HD1 ILE 36 2HD1 ILE 36 -11.275 12.215 -2.072 301 3HD1 ILE 36 3HD1 ILE 36 -11.264 12.668 -3.777 302 H ALA 37 H ALA 37 -7.278 15.749 -4.547 303 HA ALA 37 HA ALA 37 -5.014 15.893 -2.667 304 1HB ALA 37 1HB ALA 37 -4.399 14.036 -3.748 305 2HB ALA 37 2HB ALA 37 -3.953 15.112 -5.069 306 3HB ALA 37 3HB ALA 37 -5.529 14.323 -5.069 307 HA PRO 38 HA PRO 38 -3.627 19.715 -4.372 308 1HB PRO 38 2HB PRO 38 -0.949 19.413 -4.574 309 2HB PRO 38 1HB PRO 38 -1.774 19.604 -3.024 310 1HG PRO 38 2HG PRO 38 -0.804 17.112 -4.369 311 2HG PRO 38 1HG PRO 38 -0.696 17.576 -2.661 312 1HD PRO 38 2HD PRO 38 -2.566 15.851 -3.592 313 2HD PRO 38 1HD PRO 38 -2.862 16.933 -2.219 314 H GLY 39 H GLY 39 -3.519 17.034 -6.171 315 1HA GLY 39 2HA GLY 39 -3.989 17.717 -8.617 316 2HA GLY 39 1HA GLY 39 -2.327 18.285 -8.538 317 H TYR 40 H TYR 40 -3.489 15.363 -6.945 318 HA TYR 40 HA TYR 40 -1.437 13.754 -7.978 319 1HB TYR 40 2HB TYR 40 -4.007 13.201 -6.534 320 2HB TYR 40 1HB TYR 40 -3.151 11.855 -7.280 321 HD1 TYR 40 2HD TYR 40 -2.088 14.865 -5.318 322 HD2 TYR 40 1HD TYR 40 -1.967 10.618 -5.705 323 HE1 TYR 40 2HE TYR 40 -0.605 14.732 -3.368 324 HE2 TYR 40 1HE TYR 40 -0.486 10.485 -3.753 325 HH TYR 40 HH TYR 40 0.275 13.303 -1.802 326 H SER 41 H SER 41 -4.865 14.007 -8.908 327 HA SER 41 HA SER 41 -4.780 12.125 -10.994 328 1HB SER 41 2HB SER 41 -6.602 14.422 -10.346 329 2HB SER 41 1HB SER 41 -6.791 13.542 -11.864 330 HG SER 41 HG SER 41 -6.851 12.418 -9.254 331 H MET 42 H MET 42 -3.666 15.420 -10.860 332 HA MET 42 HA MET 42 -3.670 15.875 -13.681 333 1HB MET 42 2HB MET 42 -3.158 17.393 -11.326 334 2HB MET 42 1HB MET 42 -1.770 17.557 -12.392 335 1HG MET 42 2HG MET 42 -3.887 17.878 -14.105 336 2HG MET 42 1HG MET 42 -4.454 18.651 -12.627 337 1HE MET 42 1HE MET 42 -2.564 20.959 -15.634 338 2HE MET 42 2HE MET 42 -4.205 20.575 -15.118 339 3HE MET 42 3HE MET 42 -3.184 19.319 -15.812 340 H ILE 43 H ILE 43 -1.062 15.141 -11.337 341 HA ILE 43 HA ILE 43 0.734 14.638 -13.602 342 HB ILE 43 HB ILE 43 1.262 16.127 -11.485 343 1HG1 ILE 43 2HG1 ILE 43 3.522 14.354 -12.270 344 2HG1 ILE 43 1HG1 ILE 43 2.702 15.250 -13.544 345 1HG2 ILE 43 1HG2 ILE 43 2.614 14.906 -9.833 346 2HG2 ILE 43 2HG2 ILE 43 2.101 13.387 -10.564 347 3HG2 ILE 43 3HG2 ILE 43 0.911 14.445 -9.800 348 1HD1 ILE 43 1HD1 ILE 43 4.230 16.812 -13.039 349 2HD1 ILE 43 2HD1 ILE 43 4.477 16.196 -11.404 350 3HD1 ILE 43 3HD1 ILE 43 3.086 17.220 -11.758 351 H ILE 44 H ILE 44 -0.400 13.089 -10.617 352 HA ILE 44 HA ILE 44 0.827 10.569 -11.414 353 HB ILE 44 HB ILE 44 -0.531 11.487 -8.881 354 1HG1 ILE 44 2HG1 ILE 44 1.749 12.205 -9.072 355 2HG1 ILE 44 1HG1 ILE 44 1.697 10.887 -7.909 356 1HG2 ILE 44 1HG2 ILE 44 0.397 8.697 -9.545 357 2HG2 ILE 44 2HG2 ILE 44 -1.259 9.211 -9.235 358 3HG2 ILE 44 3HG2 ILE 44 -0.069 9.256 -7.939 359 1HD1 ILE 44 1HD1 ILE 44 3.550 10.356 -9.148 360 2HD1 ILE 44 2HD1 ILE 44 2.849 10.951 -10.652 361 3HD1 ILE 44 3HD1 ILE 44 2.305 9.418 -9.971 362 H LYS 45 H LYS 45 -0.449 10.011 -13.182 363 HA LYS 45 HA LYS 45 -3.192 10.072 -13.418 364 1HB LYS 45 2HB LYS 45 -1.075 9.067 -14.911 365 2HB LYS 45 1HB LYS 45 -2.085 7.659 -14.606 366 1HG LYS 45 2HG LYS 45 -4.034 9.078 -15.427 367 2HG LYS 45 1HG LYS 45 -2.812 10.209 -16.017 368 1HD LYS 45 2HD LYS 45 -1.795 8.309 -17.294 369 2HD LYS 45 1HD LYS 45 -3.181 7.324 -16.820 370 1HE LYS 45 2HE LYS 45 -4.422 9.525 -17.814 371 2HE LYS 45 1HE LYS 45 -2.974 9.477 -18.819 372 1HZ LYS 45 1HZ LYS 45 -3.651 6.963 -19.017 373 2HZ LYS 45 2HZ LYS 45 -4.353 8.135 -20.014 374 3HZ LYS 45 3HZ LYS 45 -5.190 7.568 -18.658 375 H HIS 46 H HIS 46 -1.218 7.411 -12.085 376 HA HIS 46 HA HIS 46 -3.690 6.340 -10.894 377 1HB HIS 46 2HB HIS 46 -1.891 5.071 -12.717 378 2HB HIS 46 1HB HIS 46 -1.806 4.235 -11.171 379 HD1 HIS 46 1HD HIS 46 -4.695 4.281 -10.272 380 HD2 HIS 46 2HD HIS 46 -3.543 3.519 -14.189 381 HE1 HIS 46 1HE HIS 46 -6.603 3.006 -11.296 382 HE2 HIS 46 2HE HIS 46 -5.919 2.626 -13.690 383 HA PRO 47 HA PRO 47 -0.782 7.141 -7.415 384 1HB PRO 47 2HB PRO 47 -2.641 8.101 -5.704 385 2HB PRO 47 1HB PRO 47 -1.858 9.111 -6.922 386 1HG PRO 47 2HG PRO 47 -4.573 7.879 -6.935 387 2HG PRO 47 1HG PRO 47 -4.051 9.460 -7.539 388 1HD PRO 47 2HD PRO 47 -4.490 7.254 -9.131 389 2HD PRO 47 1HD PRO 47 -3.443 8.616 -9.566 390 H MET 48 H MET 48 -4.011 5.695 -7.356 391 HA MET 48 HA MET 48 -4.925 3.955 -6.214 392 1HB MET 48 2HB MET 48 -2.122 2.843 -6.100 393 2HB MET 48 1HB MET 48 -3.634 1.949 -6.140 394 1HG MET 48 2HG MET 48 -3.208 3.715 -8.440 395 2HG MET 48 1HG MET 48 -2.031 2.413 -8.287 396 1HE MET 48 1HE MET 48 -5.792 3.154 -7.882 397 2HE MET 48 2HE MET 48 -5.711 1.706 -6.880 398 3HE MET 48 3HE MET 48 -6.576 1.667 -8.415 399 H ASP 49 H ASP 49 -5.458 5.196 -4.374 400 HA ASP 49 HA ASP 49 -3.672 5.428 -2.145 401 1HB ASP 49 2HB ASP 49 -6.646 5.923 -2.368 402 2HB ASP 49 1HB ASP 49 -5.675 6.301 -0.949 403 H PHE 50 H PHE 50 -4.445 4.715 0.072 404 HA PHE 50 HA PHE 50 -4.435 1.915 0.193 405 1HB PHE 50 2HB PHE 50 -5.420 3.692 2.423 406 2HB PHE 50 1HB PHE 50 -4.626 2.124 2.553 407 HD1 PHE 50 1HD PHE 50 -2.295 2.285 0.939 408 HD2 PHE 50 2HD PHE 50 -4.080 5.326 3.323 409 HE1 PHE 50 1HE PHE 50 -0.120 3.415 1.119 410 HE2 PHE 50 2HE PHE 50 -1.907 6.460 3.507 411 HZ PHE 50 HZ PHE 50 0.078 5.507 2.404 412 H SER 51 H SER 51 -7.113 4.199 0.172 413 HA SER 51 HA SER 51 -9.107 2.337 0.995 414 1HB SER 51 2HB SER 51 -9.024 5.101 0.375 415 2HB SER 51 1HB SER 51 -10.222 4.377 -0.697 416 HG SER 51 HG SER 51 -11.354 4.770 1.103 417 H THR 52 H THR 52 -7.896 3.405 -2.165 418 HA THR 52 HA THR 52 -9.792 1.993 -3.717 419 HB THR 52 HB THR 52 -7.060 2.440 -4.807 420 HG1 THR 52 1HG THR 52 -8.791 4.555 -4.046 421 1HG2 THR 52 1HG2 THR 52 -8.081 2.732 -6.772 422 2HG2 THR 52 2HG2 THR 52 -9.403 3.664 -6.070 423 3HG2 THR 52 3HG2 THR 52 -9.422 1.902 -5.984 424 H MET 53 H MET 53 -6.444 1.192 -2.778 425 HA MET 53 HA MET 53 -6.435 -1.339 -4.041 426 1HB MET 53 2HB MET 53 -4.395 -1.788 -2.771 427 2HB MET 53 1HB MET 53 -4.357 -0.185 -3.487 428 1HG MET 53 2HG MET 53 -5.093 0.710 -1.257 429 2HG MET 53 1HG MET 53 -4.813 -0.905 -0.607 430 1HE MET 53 1HE MET 53 -1.081 -1.462 -0.876 431 2HE MET 53 2HE MET 53 -1.895 -1.627 -2.431 432 3HE MET 53 3HE MET 53 -2.690 -2.182 -0.956 433 H LYS 54 H LYS 54 -7.108 -0.375 -0.670 434 HA LYS 54 HA LYS 54 -7.365 -2.956 0.390 435 1HB LYS 54 2HB LYS 54 -7.263 -0.811 1.703 436 2HB LYS 54 1HB LYS 54 -8.944 -0.532 1.270 437 1HG LYS 54 2HG LYS 54 -8.119 -3.067 2.630 438 2HG LYS 54 1HG LYS 54 -8.389 -1.589 3.553 439 1HD LYS 54 2HD LYS 54 -10.593 -1.749 1.878 440 2HD LYS 54 1HD LYS 54 -10.308 -3.420 2.367 441 1HE LYS 54 2HE LYS 54 -10.864 -3.021 4.520 442 2HE LYS 54 1HE LYS 54 -10.145 -1.412 4.518 443 1HZ LYS 54 1HZ LYS 54 -12.719 -2.069 3.191 444 2HZ LYS 54 2HZ LYS 54 -12.057 -0.531 3.431 445 3HZ LYS 54 3HZ LYS 54 -12.599 -1.434 4.756 446 H GLU 55 H GLU 55 -9.793 -0.840 -1.121 447 HA GLU 55 HA GLU 55 -11.996 -2.574 -0.738 448 1HB GLU 55 2HB GLU 55 -12.153 -0.148 -1.344 449 2HB GLU 55 1HB GLU 55 -11.613 -0.561 -2.964 450 1HG GLU 55 2HG GLU 55 -13.700 -0.980 -3.553 451 2HG GLU 55 1HG GLU 55 -13.793 -2.252 -2.338 452 H LYS 56 H LYS 56 -9.571 -2.273 -3.267 453 HA LYS 56 HA LYS 56 -10.740 -4.068 -5.115 454 1HB LYS 56 2HB LYS 56 -8.329 -2.518 -4.902 455 2HB LYS 56 1HB LYS 56 -7.927 -4.153 -5.403 456 1HG LYS 56 2HG LYS 56 -8.297 -3.288 -7.447 457 2HG LYS 56 1HG LYS 56 -9.968 -3.702 -7.063 458 1HD LYS 56 2HD LYS 56 -9.558 -1.168 -5.953 459 2HD LYS 56 1HD LYS 56 -8.776 -1.118 -7.533 460 1HE LYS 56 2HE LYS 56 -10.967 -0.466 -7.981 461 2HE LYS 56 1HE LYS 56 -10.941 -2.174 -8.416 462 1HZ LYS 56 1HZ LYS 56 -11.690 -1.568 -5.669 463 2HZ LYS 56 2HZ LYS 56 -12.324 -2.714 -6.740 464 3HZ LYS 56 3HZ LYS 56 -12.799 -1.096 -6.860 465 H ILE 57 H ILE 57 -8.363 -4.506 -2.502 466 HA ILE 57 HA ILE 57 -7.728 -7.186 -3.016 467 HB ILE 57 HB ILE 57 -7.841 -5.863 -0.301 468 1HG1 ILE 57 2HG1 ILE 57 -5.268 -6.238 -1.729 469 2HG1 ILE 57 1HG1 ILE 57 -6.328 -4.983 -2.359 470 1HG2 ILE 57 1HG2 ILE 57 -5.786 -7.831 -0.588 471 2HG2 ILE 57 2HG2 ILE 57 -7.338 -8.535 -1.040 472 3HG2 ILE 57 3HG2 ILE 57 -7.135 -7.790 0.546 473 1HD1 ILE 57 1HD1 ILE 57 -4.581 -4.886 -0.132 474 2HD1 ILE 57 2HD1 ILE 57 -6.233 -4.694 0.452 475 3HD1 ILE 57 3HD1 ILE 57 -5.605 -3.609 -0.788 476 H LYS 58 H LYS 58 -10.372 -5.758 -1.137 477 HA LYS 58 HA LYS 58 -11.381 -8.109 0.002 478 1HB LYS 58 2HB LYS 58 -12.609 -5.460 -0.698 479 2HB LYS 58 1HB LYS 58 -13.617 -6.768 -0.091 480 1HG LYS 58 2HG LYS 58 -11.184 -5.745 1.354 481 2HG LYS 58 1HG LYS 58 -12.814 -5.132 1.628 482 1HD LYS 58 2HD LYS 58 -12.273 -8.070 1.806 483 2HD LYS 58 1HD LYS 58 -11.860 -7.017 3.159 484 1HE LYS 58 2HE LYS 58 -14.586 -7.297 1.893 485 2HE LYS 58 1HE LYS 58 -14.084 -7.993 3.433 486 1HZ LYS 58 1HZ LYS 58 -13.512 -5.443 3.868 487 2HZ LYS 58 2HZ LYS 58 -15.026 -6.110 4.211 488 3HZ LYS 58 3HZ LYS 58 -14.789 -5.245 2.778 489 H ASN 59 H ASN 59 -11.531 -6.972 -3.275 490 HA ASN 59 HA ASN 59 -13.613 -8.933 -3.939 491 1HB ASN 59 2HB ASN 59 -12.633 -6.417 -5.207 492 2HB ASN 59 1HB ASN 59 -13.291 -7.670 -6.253 493 1HD2 ASN 59 1HD2 ASN 59 -14.009 -5.126 -4.126 494 2HD2 ASN 59 2HD2 ASN 59 -15.723 -5.326 -4.087 495 H ASN 60 H ASN 60 -10.655 -9.435 -3.381 496 HA ASN 60 HA ASN 60 -9.013 -10.808 -4.116 497 1HB ASN 60 2HB ASN 60 -11.396 -11.907 -5.138 498 2HB ASN 60 1HB ASN 60 -10.233 -11.958 -6.460 499 1HD2 ASN 60 1HD2 ASN 60 -10.249 -12.507 -2.949 500 2HD2 ASN 60 2HD2 ASN 60 -9.348 -13.980 -3.008 501 H ASP 61 H ASP 61 -9.515 -8.085 -5.356 502 HA ASP 61 HA ASP 61 -8.526 -8.232 -8.034 503 1HB ASP 61 2HB ASP 61 -9.806 -6.303 -6.738 504 2HB ASP 61 1HB ASP 61 -8.168 -5.777 -6.370 505 H TYR 62 H TYR 62 -7.112 -7.784 -4.847 506 HA TYR 62 HA TYR 62 -4.439 -8.038 -6.046 507 1HB TYR 62 2HB TYR 62 -5.255 -6.401 -3.637 508 2HB TYR 62 1HB TYR 62 -3.586 -6.693 -4.116 509 HD1 TYR 62 1HD TYR 62 -3.203 -6.158 -6.759 510 HD2 TYR 62 2HD TYR 62 -6.127 -4.361 -4.244 511 HE1 TYR 62 1HE TYR 62 -3.323 -4.233 -8.283 512 HE2 TYR 62 2HE TYR 62 -6.251 -2.429 -5.757 513 HH TYR 62 HH TYR 62 -3.993 -1.919 -8.290 514 H GLN 63 H GLN 63 -3.733 -10.001 -5.649 515 HA GLN 63 HA GLN 63 -3.780 -11.029 -2.927 516 1HB GLN 63 2HB GLN 63 -5.773 -11.894 -4.379 517 2HB GLN 63 1HB GLN 63 -4.547 -12.877 -5.167 518 1HG GLN 63 2HG GLN 63 -4.015 -13.408 -2.575 519 2HG GLN 63 1HG GLN 63 -5.755 -13.128 -2.502 520 1HE2 GLN 63 1HE2 GLN 63 -3.292 -15.305 -3.310 521 2HE2 GLN 63 2HE2 GLN 63 -4.273 -16.533 -4.022 522 H SER 64 H SER 64 -1.878 -9.973 -5.039 523 HA SER 64 HA SER 64 0.043 -12.185 -4.913 524 1HB SER 64 2HB SER 64 0.348 -10.254 -7.142 525 2HB SER 64 1HB SER 64 0.606 -11.997 -7.119 526 HG SER 64 HG SER 64 -1.492 -12.331 -7.546 527 H ILE 65 H ILE 65 1.972 -11.656 -4.114 528 HA ILE 65 HA ILE 65 2.398 -9.371 -2.630 529 HB ILE 65 HB ILE 65 4.867 -9.983 -2.786 530 1HG1 ILE 65 2HG1 ILE 65 4.537 -12.671 -3.598 531 2HG1 ILE 65 1HG1 ILE 65 3.838 -11.675 -4.869 532 1HG2 ILE 65 1HG2 ILE 65 4.582 -11.367 -1.032 533 2HG2 ILE 65 2HG2 ILE 65 3.420 -12.385 -1.884 534 3HG2 ILE 65 3HG2 ILE 65 2.907 -10.844 -1.195 535 1HD1 ILE 65 1HD1 ILE 65 6.628 -12.049 -4.084 536 2HD1 ILE 65 2HD1 ILE 65 6.173 -10.375 -4.400 537 3HD1 ILE 65 3HD1 ILE 65 5.933 -11.603 -5.641 538 H GLU 66 H GLU 66 3.334 -10.047 -5.977 539 HA GLU 66 HA GLU 66 4.827 -7.651 -6.336 540 1HB GLU 66 2HB GLU 66 4.499 -9.947 -7.789 541 2HB GLU 66 1HB GLU 66 3.556 -8.798 -8.729 542 1HG GLU 66 2HG GLU 66 5.602 -7.288 -8.629 543 2HG GLU 66 1HG GLU 66 6.475 -8.706 -8.054 544 H GLU 67 H GLU 67 1.456 -8.567 -6.938 545 HA GLU 67 HA GLU 67 0.700 -6.176 -8.265 546 1HB GLU 67 2HB GLU 67 -0.870 -8.320 -6.839 547 2HB GLU 67 1HB GLU 67 -1.642 -6.944 -7.616 548 1HG GLU 67 2HG GLU 67 -0.169 -7.754 -9.664 549 2HG GLU 67 1HG GLU 67 -0.282 -9.289 -8.808 550 H LEU 68 H LEU 68 0.312 -7.255 -4.889 551 HA LEU 68 HA LEU 68 -0.963 -4.873 -4.023 552 1HB LEU 68 2HB LEU 68 -0.563 -5.681 -1.760 553 2HB LEU 68 1HB LEU 68 -1.192 -6.955 -2.786 554 HG LEU 68 HG LEU 68 1.388 -7.529 -3.056 555 1HD1 LEU 68 1HD1 LEU 68 2.087 -7.175 -0.443 556 2HD1 LEU 68 2HD1 LEU 68 1.285 -5.651 -0.820 557 3HD1 LEU 68 3HD1 LEU 68 2.654 -6.189 -1.792 558 1HD2 LEU 68 1HD2 LEU 68 -0.139 -9.147 -2.264 559 2HD2 LEU 68 2HD2 LEU 68 -0.433 -8.248 -0.777 560 3HD2 LEU 68 3HD2 LEU 68 1.124 -9.033 -1.039 561 H LYS 69 H LYS 69 2.397 -5.894 -4.195 562 HA LYS 69 HA LYS 69 3.459 -3.769 -2.642 563 1HB LYS 69 2HB LYS 69 4.674 -5.886 -3.123 564 2HB LYS 69 1HB LYS 69 4.844 -5.376 -4.797 565 1HG LYS 69 2HG LYS 69 6.231 -3.529 -4.158 566 2HG LYS 69 1HG LYS 69 5.933 -3.839 -2.447 567 1HD LYS 69 2HD LYS 69 7.818 -5.041 -2.491 568 2HD LYS 69 1HD LYS 69 6.884 -6.257 -3.364 569 1HE LYS 69 2HE LYS 69 7.563 -4.591 -5.387 570 2HE LYS 69 1HE LYS 69 8.959 -4.402 -4.326 571 1HZ LYS 69 1HZ LYS 69 7.967 -7.092 -5.019 572 2HZ LYS 69 2HZ LYS 69 9.516 -6.621 -4.529 573 3HZ LYS 69 3HZ LYS 69 8.976 -6.253 -6.088 574 H ASP 70 H ASP 70 3.073 -4.244 -6.150 575 HA ASP 70 HA ASP 70 4.288 -1.865 -6.982 576 1HB ASP 70 2HB ASP 70 3.145 -3.974 -8.273 577 2HB ASP 70 1HB ASP 70 1.947 -2.718 -8.565 578 H ASN 71 H ASN 71 0.931 -2.520 -6.045 579 HA ASN 71 HA ASN 71 -0.090 0.032 -6.702 580 1HB ASN 71 2HB ASN 71 -1.068 -2.390 -5.513 581 2HB ASN 71 1HB ASN 71 -1.591 -1.020 -4.540 582 1HD2 ASN 71 1HD2 ASN 71 -3.375 -0.037 -5.151 583 2HD2 ASN 71 2HD2 ASN 71 -4.092 -0.120 -6.718 584 H PHE 72 H PHE 72 1.007 -1.321 -3.584 585 HA PHE 72 HA PHE 72 0.552 1.019 -2.068 586 1HB PHE 72 2HB PHE 72 0.878 -1.233 -1.075 587 2HB PHE 72 1HB PHE 72 2.570 -1.182 -1.555 588 HD1 PHE 72 1HD PHE 72 0.160 1.025 0.267 589 HD2 PHE 72 2HD PHE 72 4.052 -0.695 0.126 590 HE1 PHE 72 1HE PHE 72 0.724 2.132 2.390 591 HE2 PHE 72 2HE PHE 72 4.620 0.410 2.249 592 HZ PHE 72 HZ PHE 72 2.954 1.826 3.382 593 H LYS 73 H LYS 73 3.436 -0.228 -3.707 594 HA LYS 73 HA LYS 73 5.161 1.873 -2.927 595 1HB LYS 73 2HB LYS 73 5.591 -0.516 -4.062 596 2HB LYS 73 1HB LYS 73 5.645 0.480 -5.508 597 1HG LYS 73 2HG LYS 73 7.223 1.617 -3.361 598 2HG LYS 73 1HG LYS 73 7.728 -0.028 -3.759 599 1HD LYS 73 2HD LYS 73 8.197 0.533 -5.985 600 2HD LYS 73 1HD LYS 73 7.277 2.035 -5.892 601 1HE LYS 73 2HE LYS 73 8.933 3.026 -4.460 602 2HE LYS 73 1HE LYS 73 9.798 1.495 -4.330 603 1HZ LYS 73 1HZ LYS 73 10.752 1.761 -6.341 604 2HZ LYS 73 2HZ LYS 73 10.473 3.402 -6.041 605 3HZ LYS 73 3HZ LYS 73 9.408 2.529 -7.024 606 H LEU 74 H LEU 74 2.970 1.442 -5.665 607 HA LEU 74 HA LEU 74 3.888 3.551 -7.270 608 1HB LEU 74 2HB LEU 74 1.364 2.014 -7.031 609 2HB LEU 74 1HB LEU 74 1.245 3.575 -7.820 610 HG LEU 74 HG LEU 74 3.279 1.544 -8.699 611 1HD1 LEU 74 1HD1 LEU 74 1.804 0.378 -9.952 612 2HD1 LEU 74 2HD1 LEU 74 0.743 1.765 -10.199 613 3HD1 LEU 74 3HD1 LEU 74 0.687 0.871 -8.680 614 1HD2 LEU 74 1HD2 LEU 74 3.174 4.079 -9.367 615 2HD2 LEU 74 2HD2 LEU 74 1.898 3.524 -10.450 616 3HD2 LEU 74 3HD2 LEU 74 3.520 2.844 -10.576 617 H MET 75 H MET 75 1.405 3.536 -4.693 618 HA MET 75 HA MET 75 0.755 6.281 -4.982 619 1HB MET 75 2HB MET 75 -0.513 4.378 -3.704 620 2HB MET 75 1HB MET 75 0.479 4.894 -2.346 621 1HG MET 75 2HG MET 75 -1.106 6.896 -3.911 622 2HG MET 75 1HG MET 75 -1.875 5.914 -2.663 623 1HE MET 75 1HE MET 75 -0.051 6.829 0.535 624 2HE MET 75 2HE MET 75 1.146 6.078 -0.519 625 3HE MET 75 3HE MET 75 -0.507 5.464 -0.486 626 H CYS 76 H CYS 76 3.065 4.566 -2.916 627 HA CYS 76 HA CYS 76 3.857 6.803 -1.389 628 1HB CYS 76 2HB CYS 76 4.983 4.099 -1.932 629 2HB CYS 76 1HB CYS 76 6.068 5.314 -1.265 630 HG CYS 76 HG CYS 76 4.548 3.743 0.481 631 H THR 77 H THR 77 5.252 5.349 -4.332 632 HA THR 77 HA THR 77 7.328 7.284 -4.580 633 HB THR 77 HB THR 77 6.162 5.536 -6.754 634 HG1 THR 77 1HG THR 77 7.446 3.963 -6.065 635 1HG2 THR 77 1HG2 THR 77 9.027 6.280 -6.626 636 2HG2 THR 77 2HG2 THR 77 7.877 7.479 -7.216 637 3HG2 THR 77 3HG2 THR 77 8.008 5.914 -8.019 638 H ASN 78 H ASN 78 4.070 6.988 -5.942 639 HA ASN 78 HA ASN 78 4.288 9.194 -7.715 640 1HB ASN 78 2HB ASN 78 1.932 7.713 -6.560 641 2HB ASN 78 1HB ASN 78 1.750 9.068 -7.655 642 1HD2 ASN 78 1HD2 ASN 78 0.617 6.922 -8.546 643 2HD2 ASN 78 2HD2 ASN 78 1.544 6.109 -9.749 644 H ALA 79 H ALA 79 3.174 8.828 -4.384 645 HA ALA 79 HA ALA 79 2.137 11.464 -4.127 646 1HB ALA 79 1HB ALA 79 1.335 9.863 -2.585 647 2HB ALA 79 2HB ALA 79 2.326 10.980 -1.649 648 3HB ALA 79 3HB ALA 79 2.966 9.401 -2.099 649 H MET 80 H MET 80 5.274 9.977 -3.372 650 HA MET 80 HA MET 80 6.380 12.292 -2.164 651 1HB MET 80 2HB MET 80 8.512 11.158 -2.285 652 2HB MET 80 1HB MET 80 7.269 10.024 -1.779 653 1HG MET 80 2HG MET 80 7.181 9.102 -4.028 654 2HG MET 80 1HG MET 80 8.408 10.252 -4.558 655 1HE MET 80 1HE MET 80 11.561 9.099 -2.591 656 2HE MET 80 2HE MET 80 10.442 10.439 -2.346 657 3HE MET 80 3HE MET 80 11.001 10.044 -3.971 658 H ILE 81 H ILE 81 6.351 11.107 -5.511 659 HA ILE 81 HA ILE 81 8.234 12.983 -6.488 660 HB ILE 81 HB ILE 81 7.699 11.009 -7.802 661 1HG1 ILE 81 2HG1 ILE 81 6.758 12.714 -9.859 662 2HG1 ILE 81 1HG1 ILE 81 7.765 13.700 -8.803 663 1HG2 ILE 81 1HG2 ILE 81 4.969 12.236 -8.123 664 2HG2 ILE 81 2HG2 ILE 81 5.372 10.719 -7.323 665 3HG2 ILE 81 3HG2 ILE 81 5.575 10.875 -9.065 666 1HD1 ILE 81 1HD1 ILE 81 9.506 11.862 -9.022 667 2HD1 ILE 81 2HD1 ILE 81 9.208 12.871 -10.437 668 3HD1 ILE 81 3HD1 ILE 81 8.520 11.250 -10.350 669 H TYR 82 H TYR 82 4.672 13.097 -6.223 670 HA TYR 82 HA TYR 82 4.718 15.846 -7.228 671 1HB TYR 82 2HB TYR 82 2.980 14.168 -8.009 672 2HB TYR 82 1HB TYR 82 2.275 14.270 -6.397 673 HD1 TYR 82 2HD TYR 82 3.527 16.732 -8.940 674 HD2 TYR 82 1HD TYR 82 0.394 15.583 -6.298 675 HE1 TYR 82 2HE TYR 82 2.232 18.707 -9.623 676 HE2 TYR 82 1HE TYR 82 -0.902 17.552 -6.975 677 HH TYR 82 HH TYR 82 -0.460 19.816 -7.940 678 H ASN 83 H ASN 83 5.829 15.067 -4.574 679 HA ASN 83 HA ASN 83 4.670 17.215 -3.073 680 1HB ASN 83 2HB ASN 83 3.322 14.951 -2.645 681 2HB ASN 83 1HB ASN 83 4.659 14.658 -1.536 682 1HD2 ASN 83 1HD2 ASN 83 5.180 16.632 -0.119 683 2HD2 ASN 83 2HD2 ASN 83 3.816 17.418 0.589 684 H LYS 84 H LYS 84 6.716 18.084 -3.115 685 HA LYS 84 HA LYS 84 9.069 16.683 -2.391 686 1HB LYS 84 2HB LYS 84 8.347 19.570 -2.752 687 2HB LYS 84 1HB LYS 84 9.890 19.155 -2.020 688 1HG LYS 84 2HG LYS 84 10.707 19.015 -4.076 689 2HG LYS 84 1HG LYS 84 9.757 17.541 -4.268 690 1HD LYS 84 2HD LYS 84 8.879 18.652 -6.025 691 2HD LYS 84 1HD LYS 84 7.868 19.397 -4.786 692 1HE LYS 84 2HE LYS 84 10.450 20.717 -5.129 693 2HE LYS 84 1HE LYS 84 9.459 20.735 -6.586 694 1HZ LYS 84 1HZ LYS 84 7.618 21.588 -5.119 695 2HZ LYS 84 2HZ LYS 84 8.902 22.657 -5.376 696 3HZ LYS 84 3HZ LYS 84 8.782 21.819 -3.911 697 HA PRO 85 HA PRO 85 9.165 16.733 2.009 698 1HB PRO 85 2HB PRO 85 11.615 17.837 2.601 699 2HB PRO 85 1HB PRO 85 11.379 16.168 2.073 700 1HG PRO 85 2HG PRO 85 12.201 18.561 0.481 701 2HG PRO 85 1HG PRO 85 12.823 16.902 0.411 702 1HD PRO 85 2HD PRO 85 11.097 17.837 -1.419 703 2HD PRO 85 1HD PRO 85 11.036 16.152 -0.857 704 H GLU 86 H GLU 86 7.445 18.421 1.823 705 HA GLU 86 HA GLU 86 8.209 21.155 2.361 706 1HB GLU 86 2HB GLU 86 5.730 19.703 1.696 707 2HB GLU 86 1HB GLU 86 5.514 21.091 2.752 708 1HG GLU 86 2HG GLU 86 5.211 21.806 0.501 709 2HG GLU 86 1HG GLU 86 6.731 22.476 1.091 710 H THR 87 H THR 87 6.087 18.848 4.092 711 HA THR 87 HA THR 87 7.189 19.854 6.619 712 HB THR 87 HB THR 87 4.887 19.812 7.603 713 HG1 THR 87 1HG THR 87 4.091 19.576 4.887 714 1HG2 THR 87 1HG2 THR 87 5.140 21.994 7.287 715 2HG2 THR 87 2HG2 THR 87 4.097 21.782 5.882 716 3HG2 THR 87 3HG2 THR 87 5.850 21.776 5.689 717 H ILE 88 H ILE 88 4.412 17.735 6.533 718 HA ILE 88 HA ILE 88 6.135 15.543 7.418 719 HB ILE 88 HB ILE 88 4.414 16.596 9.007 720 1HG1 ILE 88 2HG1 ILE 88 3.847 14.342 9.927 721 2HG1 ILE 88 1HG1 ILE 88 4.518 13.638 8.461 722 1HG2 ILE 88 1HG2 ILE 88 2.381 14.753 7.929 723 2HG2 ILE 88 2HG2 ILE 88 2.647 16.236 7.009 724 3HG2 ILE 88 3HG2 ILE 88 2.196 16.324 8.711 725 1HD1 ILE 88 1HD1 ILE 88 5.859 14.556 10.831 726 2HD1 ILE 88 2HD1 ILE 88 6.491 15.359 9.393 727 3HD1 ILE 88 3HD1 ILE 88 6.478 13.596 9.488 728 H TYR 89 H TYR 89 4.146 16.509 4.849 729 HA TYR 89 HA TYR 89 2.809 14.151 4.159 730 1HB TYR 89 2HB TYR 89 3.714 16.569 2.671 731 2HB TYR 89 1HB TYR 89 3.236 15.163 1.727 732 HD1 TYR 89 1HD TYR 89 1.954 17.085 4.680 733 HD2 TYR 89 2HD TYR 89 1.053 15.125 1.011 734 HE1 TYR 89 1HE TYR 89 -0.404 17.731 4.921 735 HE2 TYR 89 2HE TYR 89 -1.308 15.765 1.243 736 HH TYR 89 HH TYR 89 -2.654 16.851 4.078 737 H TYR 90 H TYR 90 6.055 15.277 3.213 738 HA TYR 90 HA TYR 90 6.672 13.055 1.577 739 1HB TYR 90 2HB TYR 90 7.863 15.287 1.605 740 2HB TYR 90 1HB TYR 90 8.665 14.758 3.081 741 HD1 TYR 90 1HD TYR 90 8.116 13.717 -0.461 742 HD2 TYR 90 2HD TYR 90 10.687 13.617 2.927 743 HE1 TYR 90 1HE TYR 90 9.848 12.614 -1.814 744 HE2 TYR 90 2HE TYR 90 12.425 12.514 1.582 745 HH TYR 90 HH TYR 90 12.071 10.930 -0.945 746 H LYS 91 H LYS 91 7.481 13.767 4.972 747 HA LYS 91 HA LYS 91 8.911 11.376 5.443 748 1HB LYS 91 2HB LYS 91 7.435 13.091 7.449 749 2HB LYS 91 1HB LYS 91 8.687 11.913 7.813 750 1HG LYS 91 2HG LYS 91 10.157 13.352 6.239 751 2HG LYS 91 1HG LYS 91 8.936 14.594 6.518 752 1HD LYS 91 2HD LYS 91 10.218 15.114 8.295 753 2HD LYS 91 1HD LYS 91 9.396 13.749 9.054 754 1HE LYS 91 2HE LYS 91 11.811 13.165 7.431 755 2HE LYS 91 1HE LYS 91 12.053 13.969 8.983 756 1HZ LYS 91 1HZ LYS 91 10.769 11.341 8.492 757 2HZ LYS 91 2HZ LYS 91 10.686 12.144 9.978 758 3HZ LYS 91 3HZ LYS 91 12.183 11.655 9.366 759 H ALA 92 H ALA 92 5.491 12.195 5.717 760 HA ALA 92 HA ALA 92 4.616 9.939 7.138 761 1HB ALA 92 1HB ALA 92 2.411 10.422 5.874 762 2HB ALA 92 2HB ALA 92 3.270 11.827 5.240 763 3HB ALA 92 3HB ALA 92 3.043 11.643 6.978 764 H ALA 93 H ALA 93 4.917 10.500 3.635 765 HA ALA 93 HA ALA 93 3.895 8.009 2.804 766 1HB ALA 93 1HB ALA 93 4.563 8.580 0.664 767 2HB ALA 93 2HB ALA 93 5.995 9.443 1.227 768 3HB ALA 93 3HB ALA 93 4.397 10.158 1.432 769 H LYS 94 H LYS 94 7.206 9.078 3.513 770 HA LYS 94 HA LYS 94 8.509 6.700 2.751 771 1HB LYS 94 2HB LYS 94 9.206 9.066 4.417 772 2HB LYS 94 1HB LYS 94 10.202 7.627 4.597 773 1HG LYS 94 2HG LYS 94 10.837 7.669 2.314 774 2HG LYS 94 1HG LYS 94 9.626 8.895 1.933 775 1HD LYS 94 2HD LYS 94 11.838 9.893 2.045 776 2HD LYS 94 1HD LYS 94 10.824 10.502 3.355 777 1HE LYS 94 2HE LYS 94 11.971 9.300 4.972 778 2HE LYS 94 1HE LYS 94 12.603 8.140 3.805 779 1HZ LYS 94 1HZ LYS 94 14.245 9.584 3.126 780 2HZ LYS 94 2HZ LYS 94 14.158 9.934 4.778 781 3HZ LYS 94 3HZ LYS 94 13.424 10.966 3.656 782 H LYS 95 H LYS 95 7.193 7.772 5.872 783 HA LYS 95 HA LYS 95 8.104 5.616 7.420 784 1HB LYS 95 2HB LYS 95 6.459 7.886 7.810 785 2HB LYS 95 1HB LYS 95 5.537 6.494 8.355 786 1HG LYS 95 2HG LYS 95 6.668 7.223 10.253 787 2HG LYS 95 1HG LYS 95 7.617 5.848 9.683 788 1HD LYS 95 2HD LYS 95 8.426 8.435 8.558 789 2HD LYS 95 1HD LYS 95 8.634 8.303 10.306 790 1HE LYS 95 2HE LYS 95 9.537 5.969 8.757 791 2HE LYS 95 1HE LYS 95 10.443 7.453 8.466 792 1HZ LYS 95 1HZ LYS 95 9.908 6.493 11.210 793 2HZ LYS 95 2HZ LYS 95 11.096 7.575 10.685 794 3HZ LYS 95 3HZ LYS 95 11.234 5.929 10.325 795 H LEU 96 H LEU 96 5.057 6.047 5.631 796 HA LEU 96 HA LEU 96 3.890 3.601 6.417 797 1HB LEU 96 2HB LEU 96 3.167 5.794 4.810 798 2HB LEU 96 1HB LEU 96 3.063 4.389 3.767 799 HG LEU 96 HG LEU 96 0.906 4.804 4.748 800 1HD1 LEU 96 1HD1 LEU 96 1.355 2.496 4.425 801 2HD1 LEU 96 2HD1 LEU 96 0.560 2.659 5.990 802 3HD1 LEU 96 3HD1 LEU 96 2.302 2.408 5.909 803 1HD2 LEU 96 1HD2 LEU 96 1.063 5.964 6.687 804 2HD2 LEU 96 2HD2 LEU 96 2.485 5.079 7.236 805 3HD2 LEU 96 3HD2 LEU 96 0.886 4.352 7.373 806 H LEU 97 H LEU 97 5.926 4.471 3.638 807 HA LEU 97 HA LEU 97 5.739 2.062 2.225 808 1HB LEU 97 2HB LEU 97 7.052 4.427 1.847 809 2HB LEU 97 1HB LEU 97 8.388 3.348 2.197 810 HG LEU 97 HG LEU 97 6.338 2.791 0.054 811 1HD1 LEU 97 1HD1 LEU 97 9.104 3.832 -0.449 812 2HD1 LEU 97 2HD1 LEU 97 7.734 4.921 -0.235 813 3HD1 LEU 97 3HD1 LEU 97 7.729 3.748 -1.552 814 1HD2 LEU 97 1HD2 LEU 97 9.090 1.698 0.006 815 2HD2 LEU 97 2HD2 LEU 97 7.570 0.973 -0.512 816 3HD2 LEU 97 3HD2 LEU 97 7.982 1.027 1.200 817 H HIS 98 H HIS 98 8.019 3.049 4.767 818 HA HIS 98 HA HIS 98 9.548 0.673 4.736 819 1HB HIS 98 2HB HIS 98 9.521 3.123 6.209 820 2HB HIS 98 1HB HIS 98 9.597 1.789 7.355 821 HD1 HIS 98 1HD HIS 98 12.051 2.694 7.871 822 HD2 HIS 98 2HD HIS 98 11.484 1.095 4.076 823 HE1 HIS 98 1HE HIS 98 14.359 2.274 6.965 824 HE2 HIS 98 2HE HIS 98 13.992 1.345 4.652 825 H SER 99 H SER 99 6.760 1.673 6.715 826 HA SER 99 HA SER 99 6.741 -0.623 8.365 827 1HB SER 99 2HB SER 99 4.336 0.046 8.818 828 2HB SER 99 1HB SER 99 5.542 1.289 9.140 829 HG SER 99 HG SER 99 3.522 1.797 7.840 830 H GLY 100 H GLY 100 4.940 0.176 5.397 831 1HA GLY 100 2HA GLY 100 3.390 -2.151 5.250 832 2HA GLY 100 1HA GLY 100 3.872 -1.171 3.873 833 H MET 101 H MET 101 6.594 -1.483 3.843 834 HA MET 101 HA MET 101 6.940 -3.928 2.531 835 1HB MET 101 2HB MET 101 8.759 -1.790 3.529 836 2HB MET 101 1HB MET 101 9.482 -3.337 3.110 837 1HG MET 101 2HG MET 101 8.019 -2.971 0.916 838 2HG MET 101 1HG MET 101 8.241 -1.285 1.380 839 1HE MET 101 1HE MET 101 9.253 -3.203 -1.191 840 2HE MET 101 2HE MET 101 10.817 -2.481 -1.568 841 3HE MET 101 3HE MET 101 9.414 -1.450 -1.290 842 H LYS 102 H LYS 102 7.531 -2.996 5.886 843 HA LYS 102 HA LYS 102 8.970 -5.245 6.716 844 1HB LYS 102 2HB LYS 102 8.068 -2.925 7.880 845 2HB LYS 102 1HB LYS 102 7.097 -4.146 8.689 846 1HG LYS 102 2HG LYS 102 9.881 -4.909 8.526 847 2HG LYS 102 1HG LYS 102 9.651 -3.363 9.342 848 1HD LYS 102 2HD LYS 102 8.600 -4.304 11.108 849 2HD LYS 102 1HD LYS 102 7.760 -5.487 10.104 850 1HE LYS 102 2HE LYS 102 9.605 -6.937 10.075 851 2HE LYS 102 1HE LYS 102 10.707 -5.683 10.642 852 1HZ LYS 102 1HZ LYS 102 10.397 -6.760 12.586 853 2HZ LYS 102 2HZ LYS 102 8.884 -7.376 12.156 854 3HZ LYS 102 3HZ LYS 102 9.025 -5.776 12.685 855 H ILE 103 H ILE 103 5.472 -4.595 6.739 856 HA ILE 103 HA ILE 103 4.682 -7.042 7.903 857 HB ILE 103 HB ILE 103 2.957 -5.603 5.912 858 1HG1 ILE 103 2HG1 ILE 103 3.711 -3.772 7.205 859 2HG1 ILE 103 1HG1 ILE 103 2.164 -4.223 7.908 860 1HG2 ILE 103 1HG2 ILE 103 2.584 -7.494 8.147 861 2HG2 ILE 103 2HG2 ILE 103 1.698 -7.333 6.632 862 3HG2 ILE 103 3HG2 ILE 103 1.361 -6.235 7.970 863 1HD1 ILE 103 1HD1 ILE 103 3.286 -4.077 9.837 864 2HD1 ILE 103 2HD1 ILE 103 4.856 -4.281 9.062 865 3HD1 ILE 103 3HD1 ILE 103 3.860 -5.691 9.421 866 H LEU 104 H LEU 104 5.231 -6.083 4.546 867 HA LEU 104 HA LEU 104 4.206 -8.390 3.306 868 1HB LEU 104 2HB LEU 104 5.717 -6.061 2.538 869 2HB LEU 104 1HB LEU 104 6.378 -7.486 1.760 870 HG LEU 104 HG LEU 104 3.437 -7.197 1.626 871 1HD1 LEU 104 1HD1 LEU 104 3.571 -5.033 1.028 872 2HD1 LEU 104 2HD1 LEU 104 4.100 -5.701 -0.516 873 3HD1 LEU 104 3HD1 LEU 104 5.292 -5.129 0.652 874 1HD2 LEU 104 1HD2 LEU 104 5.671 -8.289 0.014 875 2HD2 LEU 104 2HD2 LEU 104 4.259 -7.703 -0.865 876 3HD2 LEU 104 3HD2 LEU 104 4.077 -8.964 0.353 877 H SER 105 H SER 105 7.194 -7.832 5.005 878 HA SER 105 HA SER 105 8.426 -10.245 3.938 879 1HB SER 105 2HB SER 105 9.360 -8.027 5.736 880 2HB SER 105 1HB SER 105 10.260 -9.542 5.650 881 HG SER 105 HG SER 105 9.711 -7.709 3.564 882 H GLN 106 H GLN 106 5.970 -10.247 5.747 883 HA GLN 106 HA GLN 106 7.059 -11.873 7.942 884 1HB GLN 106 2HB GLN 106 4.866 -9.961 7.768 885 2HB GLN 106 1HB GLN 106 4.362 -11.493 8.470 886 1HG GLN 106 2HG GLN 106 6.004 -11.325 10.193 887 2HG GLN 106 1HG GLN 106 6.742 -9.921 9.421 888 1HE2 GLN 106 1HE2 GLN 106 5.753 -7.923 9.583 889 2HE2 GLN 106 2HE2 GLN 106 4.487 -7.603 10.715 890 H GLU 107 H GLU 107 4.693 -11.822 5.321 891 HA GLU 107 HA GLU 107 3.698 -14.459 5.870 892 1HB GLU 107 2HB GLU 107 3.362 -12.565 3.548 893 2HB GLU 107 1HB GLU 107 2.669 -14.181 3.548 894 1HG GLU 107 2HG GLU 107 1.016 -12.553 4.209 895 2HG GLU 107 1HG GLU 107 1.385 -13.626 5.557 896 H ARG 108 H ARG 108 6.156 -13.072 3.757 897 HA ARG 108 HA ARG 108 6.685 -15.698 2.573 898 1HB ARG 108 2HB ARG 108 7.341 -12.886 1.833 899 2HB ARG 108 1HB ARG 108 8.450 -14.146 1.311 900 1HG ARG 108 2HG ARG 108 6.814 -15.196 -0.003 901 2HG ARG 108 1HG ARG 108 5.503 -14.306 0.772 902 1HD ARG 108 2HD ARG 108 5.646 -13.046 -1.101 903 2HD ARG 108 1HD ARG 108 6.921 -12.244 -0.186 904 HE ARG 108 HE ARG 108 8.465 -13.088 -1.653 905 1HH1 ARG 108 1HH1 ARG 108 5.441 -14.797 -2.113 906 2HH1 ARG 108 2HH1 ARG 108 5.973 -15.602 -3.550 907 1HH2 ARG 108 1HH2 ARG 108 9.159 -14.153 -3.549 908 2HH2 ARG 108 2HH2 ARG 108 8.083 -15.238 -4.365 909 H LEU 109 H LEU 109 7.330 -15.191 5.375 910 HA LEU 109 HA LEU 109 10.254 -15.078 5.385 911 1HB LEU 109 2HB LEU 109 8.663 -13.830 7.031 912 2HB LEU 109 1HB LEU 109 8.551 -15.380 7.836 913 HG LEU 109 HG LEU 109 10.212 -13.862 8.865 914 1HD1 LEU 109 1HD1 LEU 109 11.521 -16.277 7.632 915 2HD1 LEU 109 2HD1 LEU 109 10.406 -16.340 8.995 916 3HD1 LEU 109 3HD1 LEU 109 11.939 -15.483 9.150 917 1HD2 LEU 109 1HD2 LEU 109 10.871 -12.959 6.509 918 2HD2 LEU 109 2HD2 LEU 109 12.022 -14.294 6.531 919 3HD2 LEU 109 3HD2 LEU 109 12.080 -13.059 7.789 920 H GLU 110 H GLU 110 7.770 -17.112 6.978 921 HA GLU 110 HA GLU 110 8.831 -19.551 6.023 922 1HB GLU 110 2HB GLU 110 10.301 -18.482 8.147 923 2HB GLU 110 1HB GLU 110 9.285 -19.711 8.886 924 1HG GLU 110 2HG GLU 110 10.203 -21.421 7.577 925 2HG GLU 110 1HG GLU 110 10.919 -20.283 6.438 926 H HIS 111 H HIS 111 7.523 -18.569 9.202 927 HA HIS 111 HA HIS 111 5.068 -20.064 8.575 928 1HB HIS 111 2HB HIS 111 6.768 -21.236 10.142 929 2HB HIS 111 1HB HIS 111 6.256 -20.055 11.342 930 HD1 HIS 111 1HD HIS 111 3.885 -21.724 8.923 931 HD2 HIS 111 2HD HIS 111 4.888 -21.826 12.954 932 HE1 HIS 111 1HE HIS 111 2.129 -23.152 10.017 933 HE2 HIS 111 2HE HIS 111 2.801 -23.263 12.441 934 H HIS 112 H HIS 112 3.260 -19.504 10.142 935 HA HIS 112 HA HIS 112 2.758 -16.743 10.056 936 1HB HIS 112 2HB HIS 112 1.047 -18.606 10.101 937 2HB HIS 112 1HB HIS 112 1.339 -18.733 11.833 938 HD1 HIS 112 1HD HIS 112 0.209 -17.038 13.333 939 HD2 HIS 112 2HD HIS 112 -0.214 -16.163 9.291 940 HE1 HIS 112 1HE HIS 112 -1.475 -15.174 13.220 941 HE2 HIS 112 2HE HIS 112 -1.696 -14.641 10.767 942 H HIS 113 H HIS 113 2.321 -15.287 11.839 943 HA HIS 113 HA HIS 113 4.323 -15.560 13.945 944 1HB HIS 113 2HB HIS 113 3.207 -13.365 12.447 945 2HB HIS 113 1HB HIS 113 3.009 -13.067 14.170 946 HD1 HIS 113 1HD HIS 113 5.893 -14.455 12.089 947 HD2 HIS 113 2HD HIS 113 5.109 -11.602 15.008 948 HE1 HIS 113 1HE HIS 113 8.112 -13.390 12.602 949 HE2 HIS 113 2HE HIS 113 7.632 -11.750 14.453 950 H HIS 114 H HIS 114 3.278 -13.978 15.944 951 HA HIS 114 HA HIS 114 1.905 -13.940 17.755 952 1HB HIS 114 2HB HIS 114 0.122 -14.593 15.596 953 2HB HIS 114 1HB HIS 114 -0.344 -15.504 17.027 954 HD1 HIS 114 1HD HIS 114 -2.046 -13.162 15.807 955 HD2 HIS 114 2HD HIS 114 0.566 -12.825 19.023 956 HE1 HIS 114 1HE HIS 114 -2.828 -11.152 17.102 957 HE2 HIS 114 2HE HIS 114 -1.184 -10.922 18.998 958 H HIS 115 H HIS 115 0.990 -15.369 19.448 959 HA HIS 115 HA HIS 115 1.961 -18.140 19.233 960 1HB HIS 115 2HB HIS 115 2.656 -17.962 21.647 961 2HB HIS 115 1HB HIS 115 3.619 -16.999 20.536 962 HD1 HIS 115 1HD HIS 115 4.143 -14.790 21.496 963 HD2 HIS 115 2HD HIS 115 0.412 -16.144 22.725 964 HE1 HIS 115 1HE HIS 115 3.236 -12.990 22.998 965 HE2 HIS 115 2HE HIS 115 0.936 -13.787 23.648 966 H HIS 116 H HIS 116 1.158 -19.272 21.490 967 HA HIS 116 HA HIS 116 -1.638 -19.532 21.188 968 1HB HIS 116 2HB HIS 116 0.163 -20.459 23.440 969 2HB HIS 116 1HB HIS 116 -1.514 -20.950 23.236 970 HD1 HIS 116 1HD HIS 116 0.753 -23.032 23.247 971 HD2 HIS 116 2HD HIS 116 -0.806 -21.300 19.806 972 HE1 HIS 116 1HE HIS 116 1.268 -24.647 21.389 973 HE2 HIS 116 2HE HIS 116 0.240 -23.618 19.332 Start of MODEL 4 1 1H MET 0 1HT MET 0 -5.023 -30.920 -5.939 2 2H MET 0 2HT MET 0 -4.242 -29.940 -4.766 3 3H MET 0 3HT MET 0 -3.723 -29.903 -6.402 4 HA MET 0 HA MET 0 -5.667 -28.873 -7.105 5 1HB MET 0 2HB MET 0 -6.605 -29.747 -4.409 6 2HB MET 0 1HB MET 0 -7.304 -28.282 -5.086 7 1HG MET 0 2HG MET 0 -8.485 -29.400 -6.636 8 2HG MET 0 1HG MET 0 -7.216 -30.592 -6.902 9 1HE MET 0 1HE MET 0 -10.376 -32.119 -6.597 10 2HE MET 0 2HE MET 0 -9.228 -33.365 -6.105 11 3HE MET 0 3HE MET 0 -8.777 -32.190 -7.340 12 H GLU 1 H GLU 1 -5.203 -26.791 -7.400 13 HA GLU 1 HA GLU 1 -4.071 -25.267 -5.144 14 1HB GLU 1 2HB GLU 1 -2.741 -25.866 -7.419 15 2HB GLU 1 1HB GLU 1 -3.502 -24.359 -7.908 16 1HG GLU 1 2HG GLU 1 -2.358 -24.062 -5.299 17 2HG GLU 1 1HG GLU 1 -1.154 -24.705 -6.414 18 H GLU 2 H GLU 2 -4.212 -22.763 -5.801 19 HA GLU 2 HA GLU 2 -5.549 -20.940 -5.927 20 1HB GLU 2 2HB GLU 2 -6.503 -22.656 -8.146 21 2HB GLU 2 1HB GLU 2 -7.574 -21.351 -7.658 22 1HG GLU 2 2HG GLU 2 -5.912 -19.711 -8.106 23 2HG GLU 2 1HG GLU 2 -4.678 -20.947 -8.346 24 H VAL 3 H VAL 3 -6.176 -23.175 -4.053 25 HA VAL 3 HA VAL 3 -9.040 -22.643 -3.625 26 HB VAL 3 HB VAL 3 -8.987 -24.663 -2.130 27 1HG1 VAL 3 1HG1 VAL 3 -8.597 -26.229 -4.259 28 2HG1 VAL 3 2HG1 VAL 3 -8.684 -24.664 -5.070 29 3HG1 VAL 3 3HG1 VAL 3 -10.024 -25.210 -4.064 30 1HG2 VAL 3 1HG2 VAL 3 -6.313 -24.487 -2.200 31 2HG2 VAL 3 2HG2 VAL 3 -6.559 -25.660 -3.493 32 3HG2 VAL 3 3HG2 VAL 3 -7.171 -25.992 -1.874 33 H GLU 4 H GLU 4 -5.854 -22.380 -2.227 34 HA GLU 4 HA GLU 4 -6.959 -21.585 0.358 35 1HB GLU 4 2HB GLU 4 -4.125 -22.081 -0.561 36 2HB GLU 4 1HB GLU 4 -4.537 -21.489 1.041 37 1HG GLU 4 2HG GLU 4 -5.863 -23.531 1.423 38 2HG GLU 4 1HG GLU 4 -5.352 -24.127 -0.155 39 H GLN 5 H GLN 5 -7.384 -19.892 -1.964 40 HA GLN 5 HA GLN 5 -5.593 -17.651 -1.712 41 1HB GLN 5 2HB GLN 5 -8.018 -18.266 -3.347 42 2HB GLN 5 1HB GLN 5 -7.533 -16.586 -3.156 43 1HG GLN 5 2HG GLN 5 -5.307 -17.151 -4.030 44 2HG GLN 5 1HG GLN 5 -5.842 -18.810 -4.275 45 1HE2 GLN 5 1HE2 GLN 5 -7.229 -19.286 -5.953 46 2HE2 GLN 5 2HE2 GLN 5 -7.570 -18.168 -7.225 47 H THR 6 H THR 6 -8.600 -18.667 -0.305 48 HA THR 6 HA THR 6 -9.665 -16.225 0.511 49 HB THR 6 HB THR 6 -10.201 -18.072 2.577 50 HG1 THR 6 1HG THR 6 -10.581 -19.419 0.143 51 1HG2 THR 6 1HG2 THR 6 -11.664 -16.950 0.274 52 2HG2 THR 6 2HG2 THR 6 -12.070 -16.963 1.990 53 3HG2 THR 6 3HG2 THR 6 -12.327 -18.409 1.012 54 HA PRO 7 HA PRO 7 -7.275 -16.817 4.779 55 1HB PRO 7 2HB PRO 7 -4.912 -18.244 4.373 56 2HB PRO 7 1HB PRO 7 -6.359 -18.848 5.178 57 1HG PRO 7 2HG PRO 7 -5.438 -19.259 2.376 58 2HG PRO 7 1HG PRO 7 -6.271 -20.384 3.464 59 1HD PRO 7 2HD PRO 7 -7.565 -19.150 1.469 60 2HD PRO 7 1HD PRO 7 -8.354 -19.455 3.031 61 H LEU 8 H LEU 8 -5.395 -16.911 1.765 62 HA LEU 8 HA LEU 8 -3.331 -15.184 2.514 63 1HB LEU 8 2HB LEU 8 -4.319 -16.357 0.073 64 2HB LEU 8 1HB LEU 8 -3.854 -14.691 -0.207 65 HG LEU 8 HG LEU 8 -1.820 -16.038 1.332 66 1HD1 LEU 8 1HD1 LEU 8 -3.034 -17.879 -0.208 67 2HD1 LEU 8 2HD1 LEU 8 -1.308 -17.889 0.156 68 3HD1 LEU 8 3HD1 LEU 8 -1.884 -17.217 -1.369 69 1HD2 LEU 8 1HD2 LEU 8 -1.296 -14.047 0.182 70 2HD2 LEU 8 2HD2 LEU 8 -1.956 -14.654 -1.335 71 3HD2 LEU 8 3HD2 LEU 8 -0.463 -15.333 -0.689 72 H GLN 9 H GLN 9 -6.566 -14.486 1.274 73 HA GLN 9 HA GLN 9 -6.222 -11.729 0.813 74 1HB GLN 9 2HB GLN 9 -8.171 -13.269 0.123 75 2HB GLN 9 1HB GLN 9 -8.816 -12.954 1.729 76 1HG GLN 9 2HG GLN 9 -8.560 -10.470 1.113 77 2HG GLN 9 1HG GLN 9 -8.417 -11.051 -0.545 78 1HE2 GLN 9 1HE2 GLN 9 -10.246 -11.030 -1.629 79 2HE2 GLN 9 2HE2 GLN 9 -11.829 -11.238 -0.967 80 H GLU 10 H GLU 10 -7.165 -13.542 3.707 81 HA GLU 10 HA GLU 10 -7.875 -11.366 5.329 82 1HB GLU 10 2HB GLU 10 -8.082 -13.957 5.708 83 2HB GLU 10 1HB GLU 10 -6.518 -13.770 6.489 84 1HG GLU 10 2HG GLU 10 -7.406 -12.830 8.304 85 2HG GLU 10 1HG GLU 10 -8.484 -11.804 7.362 86 H ALA 11 H ALA 11 -4.746 -13.011 4.910 87 HA ALA 11 HA ALA 11 -3.272 -11.513 6.768 88 1HB ALA 11 1HB ALA 11 -1.287 -12.271 5.565 89 2HB ALA 11 2HB ALA 11 -2.293 -12.787 4.212 90 3HB ALA 11 3HB ALA 11 -2.438 -13.589 5.776 91 H LEU 12 H LEU 12 -3.885 -10.982 3.312 92 HA LEU 12 HA LEU 12 -2.262 -8.707 3.014 93 1HB LEU 12 2HB LEU 12 -3.665 -10.235 1.304 94 2HB LEU 12 1HB LEU 12 -4.754 -8.866 1.420 95 HG LEU 12 HG LEU 12 -1.896 -8.261 0.912 96 1HD1 LEU 12 1HD1 LEU 12 -2.710 -8.552 -1.625 97 2HD1 LEU 12 2HD1 LEU 12 -3.569 -9.901 -0.880 98 3HD1 LEU 12 3HD1 LEU 12 -1.815 -9.789 -0.742 99 1HD2 LEU 12 1HD2 LEU 12 -4.539 -7.060 0.499 100 2HD2 LEU 12 2HD2 LEU 12 -3.408 -6.831 -0.832 101 3HD2 LEU 12 3HD2 LEU 12 -2.976 -6.300 0.792 102 H ASN 13 H ASN 13 -5.649 -9.074 3.983 103 HA ASN 13 HA ASN 13 -6.240 -6.297 4.050 104 1HB ASN 13 2HB ASN 13 -7.537 -8.600 5.530 105 2HB ASN 13 1HB ASN 13 -8.191 -6.968 5.431 106 1HD2 ASN 13 1HD2 ASN 13 -9.272 -9.551 4.516 107 2HD2 ASN 13 2HD2 ASN 13 -9.603 -9.344 2.834 108 H GLN 14 H GLN 14 -4.875 -8.562 6.372 109 HA GLN 14 HA GLN 14 -5.065 -6.896 8.652 110 1HB GLN 14 2HB GLN 14 -3.818 -9.448 7.964 111 2HB GLN 14 1HB GLN 14 -2.869 -8.511 9.110 112 1HG GLN 14 2HG GLN 14 -4.166 -9.341 10.700 113 2HG GLN 14 1HG GLN 14 -5.456 -8.315 10.073 114 1HE2 GLN 14 1HE2 GLN 14 -3.914 -11.444 9.384 115 2HE2 GLN 14 2HE2 GLN 14 -5.385 -12.284 9.049 116 H LEU 15 H LEU 15 -2.394 -7.481 6.351 117 HA LEU 15 HA LEU 15 -0.579 -5.734 7.644 118 1HB LEU 15 2HB LEU 15 0.703 -5.796 5.525 119 2HB LEU 15 1HB LEU 15 0.303 -7.376 6.161 120 HG LEU 15 HG LEU 15 -1.708 -7.206 4.464 121 1HD1 LEU 15 1HD1 LEU 15 -1.679 -5.386 3.187 122 2HD1 LEU 15 2HD1 LEU 15 -0.217 -6.024 2.437 123 3HD1 LEU 15 3HD1 LEU 15 -0.095 -4.906 3.794 124 1HD2 LEU 15 1HD2 LEU 15 -0.187 -8.221 2.732 125 2HD2 LEU 15 2HD2 LEU 15 -0.116 -8.955 4.334 126 3HD2 LEU 15 3HD2 LEU 15 1.156 -7.850 3.813 127 H MET 16 H MET 16 -2.907 -5.242 5.025 128 HA MET 16 HA MET 16 -2.122 -2.584 4.429 129 1HB MET 16 2HB MET 16 -4.351 -4.371 3.703 130 2HB MET 16 1HB MET 16 -4.752 -2.659 3.688 131 1HG MET 16 2HG MET 16 -2.501 -3.958 2.171 132 2HG MET 16 1HG MET 16 -4.039 -3.426 1.498 133 1HE MET 16 1HE MET 16 -0.426 -1.098 1.163 134 2HE MET 16 2HE MET 16 -1.076 -2.573 0.449 135 3HE MET 16 3HE MET 16 -0.451 -2.591 2.098 136 H ARG 17 H ARG 17 -4.650 -3.910 6.568 137 HA ARG 17 HA ARG 17 -5.670 -1.373 7.334 138 1HB ARG 17 2HB ARG 17 -6.914 -2.525 9.025 139 2HB ARG 17 1HB ARG 17 -6.913 -3.524 7.582 140 1HG ARG 17 2HG ARG 17 -5.182 -4.942 8.556 141 2HG ARG 17 1HG ARG 17 -5.158 -3.930 9.999 142 1HD ARG 17 2HD ARG 17 -6.488 -5.896 10.421 143 2HD ARG 17 1HD ARG 17 -7.532 -4.476 10.386 144 HE ARG 17 HE ARG 17 -7.687 -5.397 7.852 145 1HH1 ARG 17 1HH1 ARG 17 -8.094 -6.961 10.960 146 2HH1 ARG 17 2HH1 ARG 17 -9.257 -8.100 10.375 147 1HH2 ARG 17 1HH2 ARG 17 -9.240 -6.897 7.091 148 2HH2 ARG 17 2HH2 ARG 17 -9.906 -8.065 8.181 149 H GLN 18 H GLN 18 -3.165 -3.482 8.653 150 HA GLN 18 HA GLN 18 -2.733 -2.073 11.058 151 1HB GLN 18 2HB GLN 18 -1.913 -4.385 10.524 152 2HB GLN 18 1HB GLN 18 -0.688 -3.655 9.499 153 1HG GLN 18 2HG GLN 18 0.388 -2.642 11.339 154 2HG GLN 18 1HG GLN 18 -0.966 -2.989 12.415 155 1HE2 GLN 18 1HE2 GLN 18 0.958 -4.911 10.130 156 2HE2 GLN 18 2HE2 GLN 18 1.359 -6.160 11.254 157 H LEU 19 H LEU 19 -1.103 -1.853 7.883 158 HA LEU 19 HA LEU 19 0.662 0.221 8.681 159 1HB LEU 19 2HB LEU 19 1.128 0.515 6.296 160 2HB LEU 19 1HB LEU 19 1.210 -1.162 6.788 161 HG LEU 19 HG LEU 19 -1.249 -1.255 5.887 162 1HD1 LEU 19 1HD1 LEU 19 -1.995 0.624 4.971 163 2HD1 LEU 19 2HD1 LEU 19 -0.778 0.429 3.710 164 3HD1 LEU 19 3HD1 LEU 19 -0.420 1.396 5.139 165 1HD2 LEU 19 1HD2 LEU 19 1.369 -1.611 4.695 166 2HD2 LEU 19 2HD2 LEU 19 0.124 -1.286 3.488 167 3HD2 LEU 19 3HD2 LEU 19 -0.062 -2.637 4.606 168 H GLN 20 H GLN 20 -2.548 0.203 7.220 169 HA GLN 20 HA GLN 20 -2.649 2.980 6.650 170 1HB GLN 20 2HB GLN 20 -4.142 1.110 5.723 171 2HB GLN 20 1HB GLN 20 -5.061 1.269 7.214 172 1HG GLN 20 2HG GLN 20 -5.673 3.502 6.698 173 2HG GLN 20 1HG GLN 20 -4.532 3.572 5.356 174 1HE2 GLN 20 1HE2 GLN 20 -7.510 2.092 6.493 175 2HE2 GLN 20 2HE2 GLN 20 -8.150 1.741 4.929 176 H ARG 21 H ARG 21 -3.750 1.041 9.407 177 HA ARG 21 HA ARG 21 -4.965 3.161 10.828 178 1HB ARG 21 2HB ARG 21 -4.113 0.388 11.453 179 2HB ARG 21 1HB ARG 21 -4.348 1.470 12.817 180 1HG ARG 21 2HG ARG 21 -6.588 1.517 12.571 181 2HG ARG 21 1HG ARG 21 -6.506 1.458 10.811 182 1HD ARG 21 2HD ARG 21 -7.329 -0.624 11.156 183 2HD ARG 21 1HD ARG 21 -5.620 -1.005 11.350 184 HE ARG 21 HE ARG 21 -6.909 -0.261 13.808 185 1HH1 ARG 21 1HH1 ARG 21 -6.262 -2.914 11.618 186 2HH1 ARG 21 2HH1 ARG 21 -6.444 -4.129 12.839 187 1HH2 ARG 21 1HH2 ARG 21 -7.156 -1.872 15.413 188 2HH2 ARG 21 2HH2 ARG 21 -6.953 -3.538 14.989 189 H LYS 22 H LYS 22 -1.662 2.416 10.317 190 HA LYS 22 HA LYS 22 -0.341 3.091 12.599 191 1HB LYS 22 2HB LYS 22 0.800 2.375 10.576 192 2HB LYS 22 1HB LYS 22 0.365 3.869 9.763 193 1HG LYS 22 2HG LYS 22 2.367 4.613 10.377 194 2HG LYS 22 1HG LYS 22 1.699 4.754 12.004 195 1HD LYS 22 2HD LYS 22 2.873 2.170 11.031 196 2HD LYS 22 1HD LYS 22 3.905 3.453 11.669 197 1HE LYS 22 2HE LYS 22 1.838 3.233 13.515 198 2HE LYS 22 1HE LYS 22 2.214 1.568 13.073 199 1HZ LYS 22 1HZ LYS 22 4.066 3.606 14.177 200 2HZ LYS 22 2HZ LYS 22 4.592 2.133 13.533 201 3HZ LYS 22 3HZ LYS 22 3.589 2.148 14.893 202 H ASP 23 H ASP 23 -0.757 5.560 10.041 203 HA ASP 23 HA ASP 23 -2.076 7.514 11.380 204 1HB ASP 23 2HB ASP 23 0.423 7.154 12.643 205 2HB ASP 23 1HB ASP 23 0.513 8.675 11.767 206 HA PRO 24 HA PRO 24 0.847 9.607 8.026 207 1HB PRO 24 2HB PRO 24 1.964 7.102 6.887 208 2HB PRO 24 1HB PRO 24 2.746 8.662 7.161 209 1HG PRO 24 2HG PRO 24 3.279 6.598 8.749 210 2HG PRO 24 1HG PRO 24 3.107 8.231 9.417 211 1HD PRO 24 2HD PRO 24 1.159 5.964 9.447 212 2HD PRO 24 1HD PRO 24 1.564 7.125 10.726 213 H SER 25 H SER 25 -0.902 6.592 7.711 214 HA SER 25 HA SER 25 -1.634 7.073 4.951 215 1HB SER 25 2HB SER 25 -2.627 4.955 6.872 216 2HB SER 25 1HB SER 25 -2.913 4.996 5.133 217 HG SER 25 HG SER 25 -1.175 3.636 5.605 218 H ALA 26 H ALA 26 -2.612 8.628 7.614 219 HA ALA 26 HA ALA 26 -5.393 8.395 7.711 220 1HB ALA 26 1HB ALA 26 -3.909 10.974 8.148 221 2HB ALA 26 2HB ALA 26 -3.883 9.648 9.310 222 3HB ALA 26 3HB ALA 26 -5.408 10.434 8.905 223 H PHE 27 H PHE 27 -3.336 10.196 5.496 224 HA PHE 27 HA PHE 27 -5.667 11.426 4.228 225 1HB PHE 27 2HB PHE 27 -2.758 11.789 3.502 226 2HB PHE 27 1HB PHE 27 -4.114 12.796 3.009 227 HD1 PHE 27 1HD PHE 27 -5.560 13.519 5.267 228 HD2 PHE 27 2HD PHE 27 -1.371 12.817 5.002 229 HE1 PHE 27 1HE PHE 27 -5.197 14.970 7.222 230 HE2 PHE 27 2HE PHE 27 -1.000 14.265 6.956 231 HZ PHE 27 HZ PHE 27 -2.914 15.344 8.068 232 H PHE 28 H PHE 28 -3.235 8.965 3.629 233 HA PHE 28 HA PHE 28 -4.067 8.635 0.864 234 1HB PHE 28 2HB PHE 28 -2.106 6.982 2.463 235 2HB PHE 28 1HB PHE 28 -2.303 6.979 0.714 236 HD1 PHE 28 1HD PHE 28 -2.368 9.739 -0.035 237 HD2 PHE 28 2HD PHE 28 -0.046 7.846 2.989 238 HE1 PHE 28 1HE PHE 28 -0.681 11.520 -0.222 239 HE2 PHE 28 2HE PHE 28 1.644 9.624 2.808 240 HZ PHE 28 HZ PHE 28 1.327 11.465 1.202 241 H SER 29 H SER 29 -5.339 7.660 3.759 242 HA SER 29 HA SER 29 -5.916 4.923 3.259 243 1HB SER 29 2HB SER 29 -6.016 5.660 5.521 244 2HB SER 29 1HB SER 29 -7.120 6.973 5.124 245 HG SER 29 HG SER 29 -7.834 4.701 6.032 246 H PHE 30 H PHE 30 -7.139 7.754 1.849 247 HA PHE 30 HA PHE 30 -9.423 6.251 0.776 248 1HB PHE 30 2HB PHE 30 -9.470 8.735 2.302 249 2HB PHE 30 1HB PHE 30 -10.230 8.916 0.725 250 HD1 PHE 30 1HD PHE 30 -10.220 6.610 3.662 251 HD2 PHE 30 2HD PHE 30 -12.455 8.376 0.497 252 HE1 PHE 30 1HE PHE 30 -12.275 5.574 4.535 253 HE2 PHE 30 2HE PHE 30 -14.508 7.344 1.367 254 HZ PHE 30 HZ PHE 30 -14.422 5.941 3.389 255 HA PRO 31 HA PRO 31 -8.083 7.389 -3.254 256 1HB PRO 31 2HB PRO 31 -10.802 8.368 -3.905 257 2HB PRO 31 1HB PRO 31 -9.860 7.078 -4.657 258 1HG PRO 31 2HG PRO 31 -11.949 6.523 -3.087 259 2HG PRO 31 1HG PRO 31 -10.493 5.511 -3.076 260 1HD PRO 31 2HD PRO 31 -11.367 7.595 -1.113 261 2HD PRO 31 1HD PRO 31 -10.613 6.015 -0.819 262 H VAL 32 H VAL 32 -6.944 9.113 -3.902 263 HA VAL 32 HA VAL 32 -7.222 11.651 -2.759 264 HB VAL 32 HB VAL 32 -5.711 12.461 -4.590 265 1HG1 VAL 32 1HG1 VAL 32 -4.486 11.915 -2.761 266 2HG1 VAL 32 2HG1 VAL 32 -3.862 10.704 -3.880 267 3HG1 VAL 32 3HG1 VAL 32 -5.097 10.262 -2.701 268 1HG2 VAL 32 1HG2 VAL 32 -5.278 11.251 -6.402 269 2HG2 VAL 32 2HG2 VAL 32 -6.666 10.274 -5.931 270 3HG2 VAL 32 3HG2 VAL 32 -5.042 9.775 -5.466 271 H THR 33 H THR 33 -7.841 13.655 -3.667 272 HA THR 33 HA THR 33 -9.436 13.636 -6.093 273 HB THR 33 HB THR 33 -10.817 14.966 -3.847 274 HG1 THR 33 1HG THR 33 -10.278 13.119 -2.738 275 1HG2 THR 33 1HG2 THR 33 -12.524 13.162 -5.096 276 2HG2 THR 33 2HG2 THR 33 -11.492 13.792 -6.379 277 3HG2 THR 33 3HG2 THR 33 -12.417 14.900 -5.368 278 H ASP 34 H ASP 34 -10.637 16.184 -5.668 279 HA ASP 34 HA ASP 34 -8.418 17.861 -6.282 280 1HB ASP 34 2HB ASP 34 -11.107 17.898 -6.848 281 2HB ASP 34 1HB ASP 34 -10.950 19.208 -5.685 282 H PHE 35 H PHE 35 -9.545 16.832 -3.323 283 HA PHE 35 HA PHE 35 -8.649 19.302 -1.989 284 1HB PHE 35 2HB PHE 35 -10.952 18.971 -1.453 285 2HB PHE 35 1HB PHE 35 -10.710 17.251 -1.173 286 HD1 PHE 35 1HD PHE 35 -9.469 16.504 0.854 287 HD2 PHE 35 2HD PHE 35 -10.632 20.554 0.260 288 HE1 PHE 35 1HE PHE 35 -9.167 16.940 3.258 289 HE2 PHE 35 2HE PHE 35 -10.329 20.998 2.661 290 HZ PHE 35 HZ PHE 35 -9.597 19.190 4.164 291 H ILE 36 H ILE 36 -8.752 15.765 -1.797 292 HA ILE 36 HA ILE 36 -6.883 15.515 0.311 293 HB ILE 36 HB ILE 36 -8.002 13.629 -1.737 294 1HG1 ILE 36 2HG1 ILE 36 -8.358 12.565 0.771 295 2HG1 ILE 36 1HG1 ILE 36 -8.429 14.295 1.088 296 1HG2 ILE 36 1HG2 ILE 36 -5.743 13.063 0.159 297 2HG2 ILE 36 2HG2 ILE 36 -5.784 12.839 -1.590 298 3HG2 ILE 36 3HG2 ILE 36 -6.754 11.800 -0.545 299 1HD1 ILE 36 1HD1 ILE 36 -10.625 13.841 0.677 300 2HD1 ILE 36 2HD1 ILE 36 -10.260 12.580 -0.502 301 3HD1 ILE 36 3HD1 ILE 36 -10.083 14.279 -0.944 302 H ALA 37 H ALA 37 -6.593 15.651 -3.198 303 HA ALA 37 HA ALA 37 -3.659 15.599 -2.912 304 1HB ALA 37 1HB ALA 37 -4.083 13.704 -4.166 305 2HB ALA 37 2HB ALA 37 -3.804 14.914 -5.417 306 3HB ALA 37 3HB ALA 37 -5.450 14.437 -5.005 307 HA PRO 38 HA PRO 38 -3.838 19.688 -4.615 308 1HB PRO 38 2HB PRO 38 -1.235 20.082 -5.133 309 2HB PRO 38 1HB PRO 38 -1.869 20.055 -3.485 310 1HG PRO 38 2HG PRO 38 -0.415 17.935 -5.002 311 2HG PRO 38 1HG PRO 38 -0.288 18.375 -3.291 312 1HD PRO 38 2HD PRO 38 -1.728 16.231 -4.250 313 2HD PRO 38 1HD PRO 38 -2.038 17.036 -2.701 314 H GLY 39 H GLY 39 -3.278 17.042 -6.380 315 1HA GLY 39 2HA GLY 39 -4.183 17.650 -8.781 316 2HA GLY 39 1HA GLY 39 -2.584 18.375 -8.877 317 H TYR 40 H TYR 40 -3.463 15.368 -7.236 318 HA TYR 40 HA TYR 40 -1.314 13.890 -8.221 319 1HB TYR 40 2HB TYR 40 -3.897 13.208 -6.899 320 2HB TYR 40 1HB TYR 40 -3.012 11.904 -7.682 321 HD1 TYR 40 2HD TYR 40 -1.797 14.858 -5.750 322 HD2 TYR 40 1HD TYR 40 -2.060 10.614 -5.981 323 HE1 TYR 40 2HE TYR 40 -0.373 14.665 -3.758 324 HE2 TYR 40 1HE TYR 40 -0.641 10.416 -3.990 325 HH TYR 40 HH TYR 40 1.245 12.792 -2.824 326 H SER 41 H SER 41 -4.638 14.137 -9.442 327 HA SER 41 HA SER 41 -4.359 12.208 -11.492 328 1HB SER 41 2HB SER 41 -6.500 13.357 -10.484 329 2HB SER 41 1HB SER 41 -6.245 14.516 -11.787 330 HG SER 41 HG SER 41 -6.624 11.713 -12.026 331 H MET 42 H MET 42 -3.381 15.546 -11.305 332 HA MET 42 HA MET 42 -3.204 15.953 -14.137 333 1HB MET 42 2HB MET 42 -3.110 17.578 -11.856 334 2HB MET 42 1HB MET 42 -1.525 17.736 -12.599 335 1HG MET 42 2HG MET 42 -2.990 18.050 -14.781 336 2HG MET 42 1HG MET 42 -4.187 18.571 -13.598 337 1HE MET 42 1HE MET 42 -4.110 20.572 -15.219 338 2HE MET 42 2HE MET 42 -2.537 20.608 -16.015 339 3HE MET 42 3HE MET 42 -3.036 21.952 -14.989 340 H ILE 43 H ILE 43 -0.860 15.125 -11.588 341 HA ILE 43 HA ILE 43 1.227 14.911 -13.644 342 HB ILE 43 HB ILE 43 1.587 16.286 -11.537 343 1HG1 ILE 43 2HG1 ILE 43 3.946 15.185 -11.214 344 2HG1 ILE 43 1HG1 ILE 43 3.444 14.167 -12.559 345 1HG2 ILE 43 1HG2 ILE 43 1.526 13.549 -10.342 346 2HG2 ILE 43 2HG2 ILE 43 0.800 15.044 -9.758 347 3HG2 ILE 43 3HG2 ILE 43 2.542 14.806 -9.644 348 1HD1 ILE 43 1HD1 ILE 43 4.644 15.916 -13.530 349 2HD1 ILE 43 2HD1 ILE 43 3.867 17.130 -12.514 350 3HD1 ILE 43 3HD1 ILE 43 2.952 16.336 -13.796 351 H ILE 44 H ILE 44 -0.356 13.053 -11.092 352 HA ILE 44 HA ILE 44 1.023 10.637 -12.037 353 HB ILE 44 HB ILE 44 -0.138 11.382 -9.364 354 1HG1 ILE 44 2HG1 ILE 44 2.211 11.922 -9.821 355 2HG1 ILE 44 1HG1 ILE 44 2.072 10.703 -8.561 356 1HG2 ILE 44 1HG2 ILE 44 0.190 9.066 -8.614 357 2HG2 ILE 44 2HG2 ILE 44 0.546 8.586 -10.272 358 3HG2 ILE 44 3HG2 ILE 44 -1.056 9.186 -9.851 359 1HD1 ILE 44 1HD1 ILE 44 2.356 9.102 -10.678 360 2HD1 ILE 44 2HD1 ILE 44 3.719 9.749 -9.764 361 3HD1 ILE 44 3HD1 ILE 44 3.220 10.521 -11.269 362 H LYS 45 H LYS 45 -0.268 10.042 -13.714 363 HA LYS 45 HA LYS 45 -2.960 10.167 -14.060 364 1HB LYS 45 2HB LYS 45 -0.856 8.879 -15.333 365 2HB LYS 45 1HB LYS 45 -1.971 7.578 -14.940 366 1HG LYS 45 2HG LYS 45 -3.468 9.762 -15.988 367 2HG LYS 45 1HG LYS 45 -2.112 9.435 -17.068 368 1HD LYS 45 2HD LYS 45 -2.788 7.192 -17.398 369 2HD LYS 45 1HD LYS 45 -3.923 7.258 -16.047 370 1HE LYS 45 2HE LYS 45 -4.758 9.303 -17.721 371 2HE LYS 45 1HE LYS 45 -4.286 8.017 -18.831 372 1HZ LYS 45 1HZ LYS 45 -5.802 6.530 -17.817 373 2HZ LYS 45 2HZ LYS 45 -6.655 7.966 -18.078 374 3HZ LYS 45 3HZ LYS 45 -6.105 7.582 -16.526 375 H HIS 46 H HIS 46 -1.278 7.397 -12.526 376 HA HIS 46 HA HIS 46 -3.828 6.745 -11.206 377 1HB HIS 46 2HB HIS 46 -2.479 5.181 -13.126 378 2HB HIS 46 1HB HIS 46 -2.230 4.382 -11.577 379 HD1 HIS 46 1HD HIS 46 -4.068 2.909 -10.823 380 HD2 HIS 46 2HD HIS 46 -5.356 5.667 -13.645 381 HE1 HIS 46 1HE HIS 46 -6.458 2.301 -11.310 382 HE2 HIS 46 2HE HIS 46 -7.250 4.053 -12.938 383 HA PRO 47 HA PRO 47 -0.729 7.192 -7.855 384 1HB PRO 47 2HB PRO 47 -2.946 8.134 -6.246 385 2HB PRO 47 1HB PRO 47 -1.508 9.012 -6.768 386 1HG PRO 47 2HG PRO 47 -4.023 9.553 -7.677 387 2HG PRO 47 1HG PRO 47 -2.550 9.881 -8.603 388 1HD PRO 47 2HD PRO 47 -4.485 7.610 -8.859 389 2HD PRO 47 1HD PRO 47 -3.639 8.523 -10.127 390 H MET 48 H MET 48 -3.935 5.761 -7.864 391 HA MET 48 HA MET 48 -4.911 4.091 -6.668 392 1HB MET 48 2HB MET 48 -2.085 3.099 -6.988 393 2HB MET 48 1HB MET 48 -3.363 2.104 -6.303 394 1HG MET 48 2HG MET 48 -3.251 3.267 -9.071 395 2HG MET 48 1HG MET 48 -3.123 1.569 -8.620 396 1HE MET 48 1HE MET 48 -5.020 -0.002 -8.330 397 2HE MET 48 2HE MET 48 -6.663 0.447 -7.875 398 3HE MET 48 3HE MET 48 -5.328 0.739 -6.759 399 H ASP 49 H ASP 49 -5.438 5.244 -4.783 400 HA ASP 49 HA ASP 49 -3.654 5.471 -2.557 401 1HB ASP 49 2HB ASP 49 -6.588 5.967 -2.957 402 2HB ASP 49 1HB ASP 49 -5.887 6.002 -1.342 403 H PHE 50 H PHE 50 -4.309 4.608 -0.361 404 HA PHE 50 HA PHE 50 -4.190 1.810 -0.379 405 1HB PHE 50 2HB PHE 50 -5.038 3.610 1.899 406 2HB PHE 50 1HB PHE 50 -4.525 1.933 2.045 407 HD1 PHE 50 1HD PHE 50 -2.252 2.046 0.044 408 HD2 PHE 50 2HD PHE 50 -3.381 4.640 3.223 409 HE1 PHE 50 1HE PHE 50 0.082 2.788 0.262 410 HE2 PHE 50 2HE PHE 50 -1.047 5.385 3.446 411 HZ PHE 50 HZ PHE 50 0.687 4.460 1.964 412 H SER 51 H SER 51 -6.960 3.965 -0.309 413 HA SER 51 HA SER 51 -8.859 2.015 0.543 414 1HB SER 51 2HB SER 51 -9.550 4.251 0.826 415 2HB SER 51 1HB SER 51 -9.108 4.691 -0.822 416 HG SER 51 HG SER 51 -10.928 3.813 -1.564 417 H THR 52 H THR 52 -7.757 3.155 -2.632 418 HA THR 52 HA THR 52 -9.612 1.722 -4.190 419 HB THR 52 HB THR 52 -6.815 2.212 -5.156 420 HG1 THR 52 1HG THR 52 -8.767 4.234 -4.747 421 1HG2 THR 52 1HG2 THR 52 -9.234 1.578 -6.407 422 2HG2 THR 52 2HG2 THR 52 -7.706 2.026 -7.164 423 3HG2 THR 52 3HG2 THR 52 -8.906 3.265 -6.800 424 H MET 53 H MET 53 -6.334 0.883 -3.092 425 HA MET 53 HA MET 53 -6.309 -1.672 -4.331 426 1HB MET 53 2HB MET 53 -4.311 -2.116 -3.013 427 2HB MET 53 1HB MET 53 -4.238 -0.519 -3.737 428 1HG MET 53 2HG MET 53 -4.954 0.438 -1.562 429 2HG MET 53 1HG MET 53 -4.850 -1.180 -0.866 430 1HE MET 53 1HE MET 53 -2.143 -2.018 -2.847 431 2HE MET 53 2HE MET 53 -2.601 -2.651 -1.265 432 3HE MET 53 3HE MET 53 -1.005 -1.939 -1.501 433 H LYS 54 H LYS 54 -7.144 -0.576 -1.055 434 HA LYS 54 HA LYS 54 -7.437 -3.089 0.142 435 1HB LYS 54 2HB LYS 54 -7.493 -0.770 1.234 436 2HB LYS 54 1HB LYS 54 -9.193 -0.727 0.788 437 1HG LYS 54 2HG LYS 54 -9.517 -2.830 2.081 438 2HG LYS 54 1HG LYS 54 -7.843 -2.693 2.625 439 1HD LYS 54 2HD LYS 54 -8.792 -1.591 4.355 440 2HD LYS 54 1HD LYS 54 -8.733 -0.227 3.237 441 1HE LYS 54 2HE LYS 54 -11.103 -1.957 3.004 442 2HE LYS 54 1HE LYS 54 -10.972 -1.059 4.514 443 1HZ LYS 54 1HZ LYS 54 -12.199 0.218 2.909 444 2HZ LYS 54 2HZ LYS 54 -10.950 0.092 1.776 445 3HZ LYS 54 3HZ LYS 54 -10.715 0.983 3.195 446 H GLU 55 H GLU 55 -9.794 -1.114 -1.646 447 HA GLU 55 HA GLU 55 -11.995 -2.862 -1.307 448 1HB GLU 55 2HB GLU 55 -11.695 -0.374 -2.342 449 2HB GLU 55 1HB GLU 55 -11.841 -1.310 -3.821 450 1HG GLU 55 2HG GLU 55 -13.970 -2.199 -3.082 451 2HG GLU 55 1HG GLU 55 -13.817 -1.342 -1.549 452 H LYS 56 H LYS 56 -9.388 -2.685 -3.663 453 HA LYS 56 HA LYS 56 -10.418 -4.592 -5.488 454 1HB LYS 56 2HB LYS 56 -7.980 -3.053 -5.144 455 2HB LYS 56 1HB LYS 56 -7.636 -4.688 -5.685 456 1HG LYS 56 2HG LYS 56 -8.210 -4.160 -7.752 457 2HG LYS 56 1HG LYS 56 -9.813 -3.659 -7.210 458 1HD LYS 56 2HD LYS 56 -9.229 -1.446 -7.079 459 2HD LYS 56 1HD LYS 56 -7.530 -1.803 -6.760 460 1HE LYS 56 2HE LYS 56 -7.291 -1.120 -8.904 461 2HE LYS 56 1HE LYS 56 -7.730 -2.792 -9.242 462 1HZ LYS 56 1HZ LYS 56 -8.988 -1.140 -10.559 463 2HZ LYS 56 2HZ LYS 56 -9.677 -0.552 -9.131 464 3HZ LYS 56 3HZ LYS 56 -9.982 -2.140 -9.626 465 H ILE 57 H ILE 57 -8.175 -4.851 -2.730 466 HA ILE 57 HA ILE 57 -7.501 -7.548 -3.067 467 HB ILE 57 HB ILE 57 -7.779 -6.166 -0.398 468 1HG1 ILE 57 2HG1 ILE 57 -5.123 -6.364 -1.690 469 2HG1 ILE 57 1HG1 ILE 57 -6.233 -5.210 -2.419 470 1HG2 ILE 57 1HG2 ILE 57 -5.633 -8.107 -0.830 471 2HG2 ILE 57 2HG2 ILE 57 -7.254 -8.787 -0.944 472 3HG2 ILE 57 3HG2 ILE 57 -6.755 -7.938 0.519 473 1HD1 ILE 57 1HD1 ILE 57 -6.295 -4.880 0.407 474 2HD1 ILE 57 2HD1 ILE 57 -5.769 -3.742 -0.833 475 3HD1 ILE 57 3HD1 ILE 57 -4.619 -4.884 -0.138 476 H LYS 58 H LYS 58 -10.257 -6.054 -1.417 477 HA LYS 58 HA LYS 58 -11.301 -8.356 -0.206 478 1HB LYS 58 2HB LYS 58 -12.052 -5.679 -0.437 479 2HB LYS 58 1HB LYS 58 -13.381 -6.570 -1.169 480 1HG LYS 58 2HG LYS 58 -14.099 -7.348 0.796 481 2HG LYS 58 1HG LYS 58 -12.467 -7.701 1.365 482 1HD LYS 58 2HD LYS 58 -13.184 -4.842 1.158 483 2HD LYS 58 1HD LYS 58 -14.027 -5.767 2.403 484 1HE LYS 58 2HE LYS 58 -11.485 -6.613 2.784 485 2HE LYS 58 1HE LYS 58 -11.195 -4.969 2.217 486 1HZ LYS 58 1HZ LYS 58 -13.065 -4.461 3.981 487 2HZ LYS 58 2HZ LYS 58 -11.439 -4.586 4.429 488 3HZ LYS 58 3HZ LYS 58 -12.487 -5.889 4.675 489 H ASN 59 H ASN 59 -11.275 -7.386 -3.541 490 HA ASN 59 HA ASN 59 -13.267 -9.430 -4.237 491 1HB ASN 59 2HB ASN 59 -12.266 -6.949 -5.555 492 2HB ASN 59 1HB ASN 59 -12.833 -8.260 -6.579 493 1HD2 ASN 59 1HD2 ASN 59 -13.780 -6.219 -3.852 494 2HD2 ASN 59 2HD2 ASN 59 -15.471 -6.231 -4.207 495 H ASN 60 H ASN 60 -10.311 -9.796 -3.494 496 HA ASN 60 HA ASN 60 -8.599 -11.161 -4.065 497 1HB ASN 60 2HB ASN 60 -10.908 -12.354 -5.203 498 2HB ASN 60 1HB ASN 60 -9.614 -12.495 -6.387 499 1HD2 ASN 60 1HD2 ASN 60 -10.256 -12.952 -2.934 500 2HD2 ASN 60 2HD2 ASN 60 -9.260 -14.350 -2.758 501 H ASP 61 H ASP 61 -9.088 -8.524 -5.474 502 HA ASP 61 HA ASP 61 -7.933 -8.821 -8.083 503 1HB ASP 61 2HB ASP 61 -8.401 -6.429 -6.303 504 2HB ASP 61 1HB ASP 61 -7.683 -6.299 -7.902 505 H TYR 62 H TYR 62 -6.757 -8.104 -4.854 506 HA TYR 62 HA TYR 62 -3.997 -8.225 -5.872 507 1HB TYR 62 2HB TYR 62 -5.140 -6.581 -3.611 508 2HB TYR 62 1HB TYR 62 -3.413 -6.846 -3.819 509 HD1 TYR 62 1HD TYR 62 -2.619 -6.345 -6.367 510 HD2 TYR 62 2HD TYR 62 -5.964 -4.594 -4.411 511 HE1 TYR 62 1HE TYR 62 -2.516 -4.436 -7.912 512 HE2 TYR 62 2HE TYR 62 -5.872 -2.682 -5.950 513 HH TYR 62 HH TYR 62 -4.899 -2.383 -8.462 514 H GLN 63 H GLN 63 -3.288 -10.205 -5.425 515 HA GLN 63 HA GLN 63 -3.358 -11.145 -2.675 516 1HB GLN 63 2HB GLN 63 -5.357 -12.108 -3.817 517 2HB GLN 63 1HB GLN 63 -4.285 -12.865 -4.983 518 1HG GLN 63 2HG GLN 63 -3.440 -13.548 -2.342 519 2HG GLN 63 1HG GLN 63 -5.164 -13.873 -2.510 520 1HE2 GLN 63 1HE2 GLN 63 -3.460 -15.940 -2.104 521 2HE2 GLN 63 2HE2 GLN 63 -3.314 -16.889 -3.539 522 H SER 64 H SER 64 -1.441 -10.143 -4.802 523 HA SER 64 HA SER 64 0.492 -12.333 -4.545 524 1HB SER 64 2HB SER 64 -0.239 -12.288 -6.872 525 2HB SER 64 1HB SER 64 0.100 -10.561 -6.969 526 HG SER 64 HG SER 64 1.863 -11.574 -7.809 527 H ILE 65 H ILE 65 2.475 -11.759 -3.948 528 HA ILE 65 HA ILE 65 2.936 -9.424 -2.536 529 HB ILE 65 HB ILE 65 5.368 -10.027 -2.683 530 1HG1 ILE 65 2HG1 ILE 65 5.382 -12.616 -3.572 531 2HG1 ILE 65 1HG1 ILE 65 4.303 -11.851 -4.732 532 1HG2 ILE 65 1HG2 ILE 65 3.197 -11.689 -1.615 533 2HG2 ILE 65 2HG2 ILE 65 4.561 -10.930 -0.792 534 3HG2 ILE 65 3HG2 ILE 65 4.790 -12.446 -1.664 535 1HD1 ILE 65 1HD1 ILE 65 6.972 -11.960 -4.997 536 2HD1 ILE 65 2HD1 ILE 65 6.804 -10.405 -4.183 537 3HD1 ILE 65 3HD1 ILE 65 5.965 -10.699 -5.706 538 H GLU 66 H GLU 66 3.790 -10.227 -5.880 539 HA GLU 66 HA GLU 66 5.216 -7.821 -6.396 540 1HB GLU 66 2HB GLU 66 5.460 -9.938 -7.709 541 2HB GLU 66 1HB GLU 66 3.866 -9.648 -8.393 542 1HG GLU 66 2HG GLU 66 5.583 -7.342 -8.687 543 2HG GLU 66 1HG GLU 66 6.303 -8.786 -9.394 544 H GLU 67 H GLU 67 1.856 -8.816 -6.824 545 HA GLU 67 HA GLU 67 1.039 -6.536 -8.310 546 1HB GLU 67 2HB GLU 67 -0.114 -8.852 -8.004 547 2HB GLU 67 1HB GLU 67 -0.815 -8.129 -6.563 548 1HG GLU 67 2HG GLU 67 -2.444 -7.720 -8.103 549 2HG GLU 67 1HG GLU 67 -1.514 -6.226 -8.195 550 H LEU 68 H LEU 68 0.824 -7.405 -4.885 551 HA LEU 68 HA LEU 68 -0.515 -5.106 -3.996 552 1HB LEU 68 2HB LEU 68 -0.019 -7.339 -2.791 553 2HB LEU 68 1HB LEU 68 1.503 -6.596 -2.344 554 HG LEU 68 HG LEU 68 0.366 -4.865 -1.106 555 1HD1 LEU 68 1HD1 LEU 68 -2.165 -5.110 -0.832 556 2HD1 LEU 68 2HD1 LEU 68 -2.104 -6.076 -2.307 557 3HD1 LEU 68 3HD1 LEU 68 -1.572 -4.395 -2.332 558 1HD2 LEU 68 1HD2 LEU 68 -0.287 -7.718 -0.590 559 2HD2 LEU 68 2HD2 LEU 68 -1.043 -6.488 0.422 560 3HD2 LEU 68 3HD2 LEU 68 0.714 -6.600 0.337 561 H LYS 69 H LYS 69 2.967 -5.875 -4.023 562 HA LYS 69 HA LYS 69 3.861 -3.451 -2.953 563 1HB LYS 69 2HB LYS 69 5.146 -5.670 -3.421 564 2HB LYS 69 1HB LYS 69 5.471 -4.949 -4.991 565 1HG LYS 69 2HG LYS 69 6.984 -3.522 -4.166 566 2HG LYS 69 1HG LYS 69 6.026 -3.181 -2.724 567 1HD LYS 69 2HD LYS 69 7.420 -4.454 -1.548 568 2HD LYS 69 1HD LYS 69 6.895 -5.849 -2.491 569 1HE LYS 69 2HE LYS 69 8.608 -5.046 -4.235 570 2HE LYS 69 1HE LYS 69 9.264 -4.060 -2.929 571 1HZ LYS 69 1HZ LYS 69 9.264 -6.291 -1.648 572 2HZ LYS 69 2HZ LYS 69 10.492 -5.983 -2.769 573 3HZ LYS 69 3HZ LYS 69 9.203 -6.992 -3.187 574 H ASP 70 H ASP 70 3.141 -4.375 -6.293 575 HA ASP 70 HA ASP 70 4.255 -2.149 -7.574 576 1HB ASP 70 2HB ASP 70 2.985 -4.388 -8.442 577 2HB ASP 70 1HB ASP 70 1.732 -3.181 -8.720 578 H ASN 71 H ASN 71 0.964 -2.633 -6.279 579 HA ASN 71 HA ASN 71 0.067 -0.038 -7.075 580 1HB ASN 71 2HB ASN 71 -1.434 -2.017 -6.673 581 2HB ASN 71 1HB ASN 71 -1.147 -1.809 -4.947 582 1HD2 ASN 71 1HD2 ASN 71 -1.747 0.268 -4.010 583 2HD2 ASN 71 2HD2 ASN 71 -3.095 1.122 -4.668 584 H PHE 72 H PHE 72 1.025 -1.419 -3.934 585 HA PHE 72 HA PHE 72 0.643 0.890 -2.396 586 1HB PHE 72 2HB PHE 72 0.977 -1.339 -1.418 587 2HB PHE 72 1HB PHE 72 2.639 -1.352 -1.990 588 HD1 PHE 72 1HD PHE 72 0.312 0.544 0.205 589 HD2 PHE 72 2HD PHE 72 4.337 -0.557 -0.632 590 HE1 PHE 72 1HE PHE 72 1.035 1.604 2.304 591 HE2 PHE 72 2HE PHE 72 5.066 0.501 1.466 592 HZ PHE 72 HZ PHE 72 3.414 1.584 2.936 593 H LYS 73 H LYS 73 3.508 -0.293 -4.115 594 HA LYS 73 HA LYS 73 5.220 1.811 -3.312 595 1HB LYS 73 2HB LYS 73 5.926 -0.435 -4.240 596 2HB LYS 73 1HB LYS 73 5.496 0.174 -5.831 597 1HG LYS 73 2HG LYS 73 7.178 2.098 -4.616 598 2HG LYS 73 1HG LYS 73 7.917 0.514 -4.378 599 1HD LYS 73 2HD LYS 73 6.849 0.930 -7.073 600 2HD LYS 73 1HD LYS 73 8.140 2.049 -6.638 601 1HE LYS 73 2HE LYS 73 8.635 -0.754 -5.908 602 2HE LYS 73 1HE LYS 73 8.525 -0.451 -7.641 603 1HZ LYS 73 1HZ LYS 73 10.779 -0.198 -6.330 604 2HZ LYS 73 2HZ LYS 73 10.188 1.361 -6.054 605 3HZ LYS 73 3HZ LYS 73 10.400 0.805 -7.637 606 H LEU 74 H LEU 74 2.995 1.421 -6.035 607 HA LEU 74 HA LEU 74 3.903 3.546 -7.619 608 1HB LEU 74 2HB LEU 74 1.273 2.160 -7.305 609 2HB LEU 74 1HB LEU 74 1.339 3.639 -8.241 610 HG LEU 74 HG LEU 74 3.219 1.398 -8.880 611 1HD1 LEU 74 1HD1 LEU 74 0.800 1.419 -10.492 612 2HD1 LEU 74 2HD1 LEU 74 0.491 0.990 -8.809 613 3HD1 LEU 74 3HD1 LEU 74 1.659 0.067 -9.756 614 1HD2 LEU 74 1HD2 LEU 74 2.802 2.377 -11.194 615 2HD2 LEU 74 2HD2 LEU 74 3.711 3.371 -10.055 616 3HD2 LEU 74 3HD2 LEU 74 2.007 3.715 -10.362 617 H MET 75 H MET 75 1.436 3.522 -5.022 618 HA MET 75 HA MET 75 0.854 6.291 -5.252 619 1HB MET 75 2HB MET 75 -0.464 4.377 -4.023 620 2HB MET 75 1HB MET 75 0.514 4.869 -2.648 621 1HG MET 75 2HG MET 75 -0.995 6.924 -4.214 622 2HG MET 75 1HG MET 75 -1.827 5.928 -3.018 623 1HE MET 75 1HE MET 75 0.941 5.722 -0.913 624 2HE MET 75 2HE MET 75 -0.788 5.580 -0.594 625 3HE MET 75 3HE MET 75 0.168 6.800 0.248 626 H CYS 76 H CYS 76 3.102 4.470 -3.208 627 HA CYS 76 HA CYS 76 3.926 6.601 -1.579 628 1HB CYS 76 2HB CYS 76 5.075 3.950 -2.327 629 2HB CYS 76 1HB CYS 76 6.125 5.116 -1.534 630 HG CYS 76 HG CYS 76 4.861 4.854 0.600 631 H THR 77 H THR 77 5.348 5.328 -4.593 632 HA THR 77 HA THR 77 7.401 7.305 -4.716 633 HB THR 77 HB THR 77 6.298 5.600 -6.960 634 HG1 THR 77 1HG THR 77 7.097 4.053 -5.789 635 1HG2 THR 77 1HG2 THR 77 7.953 6.290 -8.267 636 2HG2 THR 77 2HG2 THR 77 9.140 6.178 -6.967 637 3HG2 THR 77 3HG2 THR 77 8.147 7.625 -7.132 638 H ASN 78 H ASN 78 4.217 6.965 -6.256 639 HA ASN 78 HA ASN 78 4.393 9.243 -7.905 640 1HB ASN 78 2HB ASN 78 2.038 7.713 -6.796 641 2HB ASN 78 1HB ASN 78 1.858 9.073 -7.888 642 1HD2 ASN 78 1HD2 ASN 78 0.751 6.968 -8.863 643 2HD2 ASN 78 2HD2 ASN 78 1.714 6.150 -10.031 644 H ALA 79 H ALA 79 3.285 8.786 -4.582 645 HA ALA 79 HA ALA 79 2.243 11.430 -4.291 646 1HB ALA 79 1HB ALA 79 1.365 9.730 -2.868 647 2HB ALA 79 2HB ALA 79 2.238 10.876 -1.850 648 3HB ALA 79 3HB ALA 79 2.971 9.326 -2.261 649 H MET 80 H MET 80 5.307 9.855 -3.422 650 HA MET 80 HA MET 80 6.405 12.088 -2.067 651 1HB MET 80 2HB MET 80 7.266 9.442 -2.831 652 2HB MET 80 1HB MET 80 8.536 10.606 -3.177 653 1HG MET 80 2HG MET 80 8.351 11.421 -0.843 654 2HG MET 80 1HG MET 80 7.195 10.127 -0.529 655 1HE MET 80 1HE MET 80 11.601 9.896 -1.474 656 2HE MET 80 2HE MET 80 10.361 10.819 -2.323 657 3HE MET 80 3HE MET 80 10.677 9.143 -2.774 658 H ILE 81 H ILE 81 6.517 11.060 -5.468 659 HA ILE 81 HA ILE 81 8.435 12.983 -6.274 660 HB ILE 81 HB ILE 81 7.970 11.015 -7.647 661 1HG1 ILE 81 2HG1 ILE 81 7.698 12.249 -9.873 662 2HG1 ILE 81 1HG1 ILE 81 7.525 13.716 -8.915 663 1HG2 ILE 81 1HG2 ILE 81 5.975 10.789 -8.969 664 2HG2 ILE 81 2HG2 ILE 81 5.342 12.311 -8.344 665 3HG2 ILE 81 3HG2 ILE 81 5.534 10.928 -7.270 666 1HD1 ILE 81 1HD1 ILE 81 9.796 12.684 -7.870 667 2HD1 ILE 81 2HD1 ILE 81 9.740 13.856 -9.188 668 3HD1 ILE 81 3HD1 ILE 81 9.908 12.136 -9.541 669 H TYR 82 H TYR 82 4.856 13.022 -6.335 670 HA TYR 82 HA TYR 82 4.818 15.703 -7.402 671 1HB TYR 82 2HB TYR 82 3.039 13.991 -7.866 672 2HB TYR 82 1HB TYR 82 2.514 14.164 -6.195 673 HD1 TYR 82 2HD TYR 82 3.580 16.777 -8.643 674 HD2 TYR 82 1HD TYR 82 0.419 15.156 -6.302 675 HE1 TYR 82 2HE TYR 82 2.138 18.657 -9.297 676 HE2 TYR 82 1HE TYR 82 -1.028 17.029 -6.952 677 HH TYR 82 HH TYR 82 0.101 19.840 -8.340 678 H ASN 83 H ASN 83 4.949 14.303 -4.239 679 HA ASN 83 HA ASN 83 4.247 16.897 -3.039 680 1HB ASN 83 2HB ASN 83 3.040 14.611 -2.445 681 2HB ASN 83 1HB ASN 83 4.436 14.415 -1.388 682 1HD2 ASN 83 1HD2 ASN 83 1.356 15.349 -1.372 683 2HD2 ASN 83 2HD2 ASN 83 1.387 16.541 -0.123 684 H LYS 84 H LYS 84 6.172 17.954 -3.035 685 HA LYS 84 HA LYS 84 8.666 16.755 -2.366 686 1HB LYS 84 2HB LYS 84 9.551 19.025 -2.375 687 2HB LYS 84 1HB LYS 84 8.487 18.790 -3.754 688 1HG LYS 84 2HG LYS 84 6.935 19.794 -1.593 689 2HG LYS 84 1HG LYS 84 8.377 20.794 -1.760 690 1HD LYS 84 2HD LYS 84 7.249 20.187 -4.345 691 2HD LYS 84 1HD LYS 84 6.036 20.913 -3.288 692 1HE LYS 84 2HE LYS 84 8.785 22.060 -3.759 693 2HE LYS 84 1HE LYS 84 7.341 22.556 -4.638 694 1HZ LYS 84 1HZ LYS 84 8.074 23.902 -2.589 695 2HZ LYS 84 2HZ LYS 84 7.389 22.645 -1.686 696 3HZ LYS 84 3HZ LYS 84 6.432 23.532 -2.765 697 HA PRO 85 HA PRO 85 8.777 16.801 2.040 698 1HB PRO 85 2HB PRO 85 11.186 18.024 2.584 699 2HB PRO 85 1HB PRO 85 11.008 16.334 2.102 700 1HG PRO 85 2HG PRO 85 11.725 18.714 0.442 701 2HG PRO 85 1HG PRO 85 12.399 17.075 0.399 702 1HD PRO 85 2HD PRO 85 10.622 17.913 -1.427 703 2HD PRO 85 1HD PRO 85 10.614 16.243 -0.827 704 H GLU 86 H GLU 86 6.987 18.399 1.898 705 HA GLU 86 HA GLU 86 7.601 21.175 2.356 706 1HB GLU 86 2HB GLU 86 5.478 19.925 1.262 707 2HB GLU 86 1HB GLU 86 4.872 20.151 2.895 708 1HG GLU 86 2HG GLU 86 4.134 22.059 1.872 709 2HG GLU 86 1HG GLU 86 5.662 22.609 2.557 710 H THR 87 H THR 87 5.823 18.740 4.289 711 HA THR 87 HA THR 87 7.035 19.856 6.705 712 HB THR 87 HB THR 87 4.501 19.392 7.613 713 HG1 THR 87 1HG THR 87 3.872 19.197 5.313 714 1HG2 THR 87 1HG2 THR 87 5.451 22.022 6.505 715 2HG2 THR 87 2HG2 THR 87 5.850 21.379 8.099 716 3HG2 THR 87 3HG2 THR 87 4.178 21.779 7.700 717 H ILE 88 H ILE 88 4.309 17.608 6.408 718 HA ILE 88 HA ILE 88 6.071 15.459 7.383 719 HB ILE 88 HB ILE 88 3.152 15.737 8.097 720 1HG1 ILE 88 2HG1 ILE 88 4.858 16.127 10.356 721 2HG1 ILE 88 1HG1 ILE 88 5.366 17.245 9.096 722 1HG2 ILE 88 1HG2 ILE 88 4.266 14.222 10.029 723 2HG2 ILE 88 2HG2 ILE 88 5.281 13.780 8.656 724 3HG2 ILE 88 3HG2 ILE 88 3.534 13.564 8.566 725 1HD1 ILE 88 1HD1 ILE 88 3.801 18.552 10.026 726 2HD1 ILE 88 2HD1 ILE 88 2.910 17.192 10.708 727 3HD1 ILE 88 3HD1 ILE 88 2.704 17.617 9.008 728 H TYR 89 H TYR 89 4.258 16.435 4.776 729 HA TYR 89 HA TYR 89 2.835 14.097 4.083 730 1HB TYR 89 2HB TYR 89 3.929 16.362 2.412 731 2HB TYR 89 1HB TYR 89 2.987 15.043 1.726 732 HD1 TYR 89 1HD TYR 89 0.607 14.848 2.180 733 HD2 TYR 89 2HD TYR 89 2.884 18.039 3.833 734 HE1 TYR 89 1HE TYR 89 -1.472 16.036 2.734 735 HE2 TYR 89 2HE TYR 89 0.811 19.236 4.393 736 HH TYR 89 HH TYR 89 -1.951 18.823 3.125 737 H TYR 90 H TYR 90 6.090 15.239 3.177 738 HA TYR 90 HA TYR 90 6.725 13.014 1.541 739 1HB TYR 90 2HB TYR 90 7.989 15.117 1.415 740 2HB TYR 90 1HB TYR 90 8.591 14.866 3.051 741 HD1 TYR 90 1HD TYR 90 10.222 13.046 3.502 742 HD2 TYR 90 2HD TYR 90 8.964 13.987 -0.453 743 HE1 TYR 90 1HE TYR 90 12.136 11.793 2.602 744 HE2 TYR 90 2HE TYR 90 10.874 12.736 -1.363 745 HH TYR 90 HH TYR 90 13.231 12.069 -0.484 746 H LYS 91 H LYS 91 7.460 13.738 4.948 747 HA LYS 91 HA LYS 91 8.898 11.391 5.497 748 1HB LYS 91 2HB LYS 91 7.576 13.500 7.092 749 2HB LYS 91 1HB LYS 91 7.803 11.962 7.910 750 1HG LYS 91 2HG LYS 91 9.803 12.805 8.447 751 2HG LYS 91 1HG LYS 91 10.252 12.315 6.812 752 1HD LYS 91 2HD LYS 91 8.961 14.932 6.923 753 2HD LYS 91 1HD LYS 91 10.460 14.856 7.850 754 1HE LYS 91 2HE LYS 91 10.842 13.533 5.347 755 2HE LYS 91 1HE LYS 91 10.137 15.122 5.052 756 1HZ LYS 91 1HZ LYS 91 12.487 15.349 5.066 757 2HZ LYS 91 2HZ LYS 91 12.638 14.516 6.530 758 3HZ LYS 91 3HZ LYS 91 11.918 16.047 6.499 759 H ALA 92 H ALA 92 5.428 12.106 5.704 760 HA ALA 92 HA ALA 92 4.581 9.768 6.973 761 1HB ALA 92 1HB ALA 92 2.454 10.250 5.452 762 2HB ALA 92 2HB ALA 92 3.293 11.782 5.221 763 3HB ALA 92 3HB ALA 92 2.864 11.251 6.846 764 H ALA 93 H ALA 93 4.980 10.439 3.495 765 HA ALA 93 HA ALA 93 4.103 7.916 2.583 766 1HB ALA 93 1HB ALA 93 5.161 8.505 0.462 767 2HB ALA 93 2HB ALA 93 6.011 9.837 1.245 768 3HB ALA 93 3HB ALA 93 4.253 9.868 1.115 769 H LYS 94 H LYS 94 7.353 9.160 3.321 770 HA LYS 94 HA LYS 94 8.775 6.854 2.556 771 1HB LYS 94 2HB LYS 94 9.666 9.209 3.082 772 2HB LYS 94 1HB LYS 94 9.648 8.705 4.765 773 1HG LYS 94 2HG LYS 94 11.450 7.376 4.527 774 2HG LYS 94 1HG LYS 94 10.993 6.864 2.902 775 1HD LYS 94 2HD LYS 94 11.570 9.495 2.499 776 2HD LYS 94 1HD LYS 94 12.715 9.079 3.776 777 1HE LYS 94 2HE LYS 94 14.010 8.365 2.089 778 2HE LYS 94 1HE LYS 94 12.965 6.945 2.102 779 1HZ LYS 94 1HZ LYS 94 13.140 7.767 -0.122 780 2HZ LYS 94 2HZ LYS 94 12.701 9.331 0.351 781 3HZ LYS 94 3HZ LYS 94 11.569 8.076 0.425 782 H LYS 95 H LYS 95 7.434 7.861 5.688 783 HA LYS 95 HA LYS 95 8.412 5.667 7.180 784 1HB LYS 95 2HB LYS 95 6.084 7.536 7.633 785 2HB LYS 95 1HB LYS 95 6.550 6.295 8.787 786 1HG LYS 95 2HG LYS 95 8.669 7.327 9.156 787 2HG LYS 95 1HG LYS 95 8.403 8.467 7.835 788 1HD LYS 95 2HD LYS 95 6.660 9.568 9.036 789 2HD LYS 95 1HD LYS 95 6.641 8.310 10.274 790 1HE LYS 95 2HE LYS 95 9.235 9.107 10.375 791 2HE LYS 95 1HE LYS 95 8.436 10.617 9.942 792 1HZ LYS 95 1HZ LYS 95 8.146 8.995 12.376 793 2HZ LYS 95 2HZ LYS 95 6.851 9.958 11.872 794 3HZ LYS 95 3HZ LYS 95 8.347 10.667 12.220 795 H LEU 96 H LEU 96 5.300 6.239 5.549 796 HA LEU 96 HA LEU 96 4.074 3.825 6.342 797 1HB LEU 96 2HB LEU 96 3.278 6.061 4.957 798 2HB LEU 96 1HB LEU 96 3.276 4.833 3.707 799 HG LEU 96 HG LEU 96 1.075 5.146 4.819 800 1HD1 LEU 96 1HD1 LEU 96 1.851 2.400 5.569 801 2HD1 LEU 96 2HD1 LEU 96 2.180 2.886 3.906 802 3HD1 LEU 96 3HD1 LEU 96 0.538 2.973 4.541 803 1HD2 LEU 96 1HD2 LEU 96 1.777 3.624 7.194 804 2HD2 LEU 96 2HD2 LEU 96 0.798 5.081 7.031 805 3HD2 LEU 96 3HD2 LEU 96 2.552 5.206 7.144 806 H LEU 97 H LEU 97 6.005 4.675 3.492 807 HA LEU 97 HA LEU 97 5.693 2.301 2.050 808 1HB LEU 97 2HB LEU 97 6.825 4.519 1.371 809 2HB LEU 97 1HB LEU 97 8.268 3.854 2.110 810 HG LEU 97 HG LEU 97 6.778 2.437 -0.093 811 1HD1 LEU 97 1HD1 LEU 97 7.974 3.512 -1.712 812 2HD1 LEU 97 2HD1 LEU 97 9.296 3.926 -0.621 813 3HD1 LEU 97 3HD1 LEU 97 7.784 4.831 -0.557 814 1HD2 LEU 97 1HD2 LEU 97 9.269 1.992 1.436 815 2HD2 LEU 97 2HD2 LEU 97 9.332 1.661 -0.294 816 3HD2 LEU 97 3HD2 LEU 97 8.152 0.833 0.719 817 H HIS 98 H HIS 98 8.093 3.181 4.514 818 HA HIS 98 HA HIS 98 9.568 0.776 4.375 819 1HB HIS 98 2HB HIS 98 9.407 3.077 6.249 820 2HB HIS 98 1HB HIS 98 10.125 1.591 6.865 821 HD1 HIS 98 1HD HIS 98 10.549 3.947 3.911 822 HD2 HIS 98 2HD HIS 98 12.755 1.322 6.260 823 HE1 HIS 98 1HE HIS 98 12.929 4.183 3.130 824 HE2 HIS 98 2HE HIS 98 14.237 2.544 4.527 825 H SER 99 H SER 99 6.909 1.799 6.520 826 HA SER 99 HA SER 99 6.931 -0.521 8.131 827 1HB SER 99 2HB SER 99 4.438 0.191 8.517 828 2HB SER 99 1HB SER 99 5.739 1.223 9.105 829 HG SER 99 HG SER 99 5.305 2.673 7.587 830 H GLY 100 H GLY 100 4.993 0.342 5.270 831 1HA GLY 100 2HA GLY 100 3.438 -1.987 5.153 832 2HA GLY 100 1HA GLY 100 3.832 -0.963 3.780 833 H MET 101 H MET 101 6.670 -1.324 3.878 834 HA MET 101 HA MET 101 6.921 -3.657 2.316 835 1HB MET 101 2HB MET 101 8.754 -1.594 3.385 836 2HB MET 101 1HB MET 101 9.490 -3.139 2.985 837 1HG MET 101 2HG MET 101 8.117 -2.799 0.752 838 2HG MET 101 1HG MET 101 8.251 -1.106 1.219 839 1HE MET 101 1HE MET 101 9.155 -0.564 -0.757 840 2HE MET 101 2HE MET 101 10.639 -1.132 -1.522 841 3HE MET 101 3HE MET 101 10.710 0.119 -0.281 842 H LYS 102 H LYS 102 7.777 -2.990 5.703 843 HA LYS 102 HA LYS 102 8.988 -5.521 6.163 844 1HB LYS 102 2HB LYS 102 8.034 -3.289 7.914 845 2HB LYS 102 1HB LYS 102 8.386 -4.848 8.648 846 1HG LYS 102 2HG LYS 102 10.285 -3.295 8.754 847 2HG LYS 102 1HG LYS 102 10.660 -4.761 7.848 848 1HD LYS 102 2HD LYS 102 11.069 -3.611 5.976 849 2HD LYS 102 1HD LYS 102 9.589 -2.669 6.151 850 1HE LYS 102 2HE LYS 102 11.089 -0.981 6.390 851 2HE LYS 102 1HE LYS 102 11.021 -1.507 8.070 852 1HZ LYS 102 1HZ LYS 102 13.053 -2.586 7.897 853 2HZ LYS 102 2HZ LYS 102 13.302 -1.180 6.992 854 3HZ LYS 102 3HZ LYS 102 13.010 -2.648 6.205 855 H ILE 103 H ILE 103 5.736 -4.238 6.756 856 HA ILE 103 HA ILE 103 4.727 -6.566 8.017 857 HB ILE 103 HB ILE 103 3.077 -4.584 6.444 858 1HG1 ILE 103 2HG1 ILE 103 3.403 -4.352 9.399 859 2HG1 ILE 103 1HG1 ILE 103 4.722 -3.770 8.392 860 1HG2 ILE 103 1HG2 ILE 103 1.949 -6.664 7.105 861 2HG2 ILE 103 2HG2 ILE 103 1.284 -5.256 7.930 862 3HG2 ILE 103 3HG2 ILE 103 2.373 -6.348 8.786 863 1HD1 ILE 103 1HD1 ILE 103 2.540 -2.653 7.188 864 2HD1 ILE 103 2HD1 ILE 103 3.593 -1.853 8.355 865 3HD1 ILE 103 3HD1 ILE 103 2.098 -2.618 8.895 866 H LEU 104 H LEU 104 4.924 -5.584 4.627 867 HA LEU 104 HA LEU 104 3.250 -7.569 3.542 868 1HB LEU 104 2HB LEU 104 5.036 -5.564 2.554 869 2HB LEU 104 1HB LEU 104 5.370 -7.069 1.722 870 HG LEU 104 HG LEU 104 2.531 -6.169 1.930 871 1HD1 LEU 104 1HD1 LEU 104 3.283 -4.148 1.144 872 2HD1 LEU 104 2HD1 LEU 104 3.060 -5.033 -0.366 873 3HD1 LEU 104 3HD1 LEU 104 4.674 -4.857 0.325 874 1HD2 LEU 104 1HD2 LEU 104 2.480 -7.214 -0.334 875 2HD2 LEU 104 2HD2 LEU 104 2.934 -8.322 0.960 876 3HD2 LEU 104 3HD2 LEU 104 4.171 -7.665 -0.111 877 H SER 105 H SER 105 6.735 -7.552 4.219 878 HA SER 105 HA SER 105 7.314 -10.089 3.129 879 1HB SER 105 2HB SER 105 8.745 -8.634 5.366 880 2HB SER 105 1HB SER 105 9.393 -9.978 4.427 881 HG SER 105 HG SER 105 9.229 -7.327 3.796 882 H GLN 106 H GLN 106 5.915 -9.117 6.169 883 HA GLN 106 HA GLN 106 6.451 -11.320 7.771 884 1HB GLN 106 2HB GLN 106 4.991 -9.050 8.079 885 2HB GLN 106 1HB GLN 106 3.706 -10.246 7.961 886 1HG GLN 106 2HG GLN 106 4.128 -10.074 10.241 887 2HG GLN 106 1HG GLN 106 4.980 -11.539 9.755 888 1HE2 GLN 106 1HE2 GLN 106 5.234 -8.538 11.276 889 2HE2 GLN 106 2HE2 GLN 106 6.953 -8.490 11.445 890 H GLU 107 H GLU 107 4.080 -10.939 5.188 891 HA GLU 107 HA GLU 107 2.480 -13.176 5.639 892 1HB GLU 107 2HB GLU 107 3.284 -11.727 3.129 893 2HB GLU 107 1HB GLU 107 2.266 -13.158 3.057 894 1HG GLU 107 2HG GLU 107 0.768 -11.913 4.741 895 2HG GLU 107 1HG GLU 107 1.669 -10.481 4.248 896 H ARG 108 H ARG 108 5.662 -12.920 4.146 897 HA ARG 108 HA ARG 108 5.724 -15.856 3.924 898 1HB ARG 108 2HB ARG 108 7.297 -15.590 2.051 899 2HB ARG 108 1HB ARG 108 5.749 -14.829 1.720 900 1HG ARG 108 2HG ARG 108 7.365 -12.839 2.876 901 2HG ARG 108 1HG ARG 108 8.376 -13.687 1.704 902 1HD ARG 108 2HD ARG 108 5.778 -13.245 0.580 903 2HD ARG 108 1HD ARG 108 6.409 -11.724 1.210 904 HE ARG 108 HE ARG 108 7.999 -11.729 -0.439 905 1HH1 ARG 108 1HH1 ARG 108 6.512 -14.897 -0.298 906 2HH1 ARG 108 2HH1 ARG 108 7.281 -15.459 -1.743 907 1HH2 ARG 108 1HH2 ARG 108 9.017 -12.478 -2.339 908 2HH2 ARG 108 2HH2 ARG 108 8.704 -14.086 -2.903 909 H LEU 109 H LEU 109 6.397 -15.518 6.267 910 HA LEU 109 HA LEU 109 8.964 -14.439 6.839 911 1HB LEU 109 2HB LEU 109 8.734 -15.483 9.024 912 2HB LEU 109 1HB LEU 109 7.262 -14.648 8.570 913 HG LEU 109 HG LEU 109 7.210 -17.467 7.821 914 1HD1 LEU 109 1HD1 LEU 109 7.109 -16.978 10.769 915 2HD1 LEU 109 2HD1 LEU 109 8.643 -17.343 9.978 916 3HD1 LEU 109 3HD1 LEU 109 7.309 -18.494 9.889 917 1HD2 LEU 109 1HD2 LEU 109 5.460 -15.558 9.343 918 2HD2 LEU 109 2HD2 LEU 109 5.074 -17.273 9.203 919 3HD2 LEU 109 3HD2 LEU 109 5.191 -16.276 7.755 920 H GLU 110 H GLU 110 10.938 -15.380 6.979 921 HA GLU 110 HA GLU 110 12.633 -16.816 6.543 922 1HB GLU 110 2HB GLU 110 10.706 -18.301 8.021 923 2HB GLU 110 1HB GLU 110 11.384 -19.368 6.797 924 1HG GLU 110 2HG GLU 110 13.628 -18.878 7.584 925 2HG GLU 110 1HG GLU 110 12.977 -17.759 8.783 926 H HIS 111 H HIS 111 10.838 -16.002 4.355 927 HA HIS 111 HA HIS 111 11.236 -18.278 2.524 928 1HB HIS 111 2HB HIS 111 9.098 -16.206 2.714 929 2HB HIS 111 1HB HIS 111 9.535 -16.796 1.116 930 HD1 HIS 111 1HD HIS 111 7.533 -18.195 0.593 931 HD2 HIS 111 2HD HIS 111 9.169 -19.096 4.304 932 HE1 HIS 111 1HE HIS 111 6.311 -20.243 1.384 933 HE2 HIS 111 2HE HIS 111 7.420 -20.852 3.564 934 H HIS 112 H HIS 112 11.526 -14.769 2.888 935 HA HIS 112 HA HIS 112 12.634 -14.219 0.355 936 1HB HIS 112 2HB HIS 112 13.503 -12.122 1.481 937 2HB HIS 112 1HB HIS 112 11.766 -12.385 1.594 938 HD1 HIS 112 1HD HIS 112 13.752 -14.429 3.934 939 HD2 HIS 112 2HD HIS 112 11.927 -10.694 3.921 940 HE1 HIS 112 1HE HIS 112 13.645 -13.727 6.342 941 HE2 HIS 112 2HE HIS 112 12.599 -11.435 6.306 942 H HIS 113 H HIS 113 14.918 -13.116 0.273 943 HA HIS 113 HA HIS 113 16.829 -15.128 1.226 944 1HB HIS 113 2HB HIS 113 18.349 -14.084 -0.527 945 2HB HIS 113 1HB HIS 113 16.948 -14.960 -1.128 946 HD1 HIS 113 1HD HIS 113 18.560 -11.653 -1.154 947 HD2 HIS 113 2HD HIS 113 14.871 -13.259 -2.179 948 HE1 HIS 113 1HE HIS 113 17.447 -9.913 -2.587 949 HE2 HIS 113 2HE HIS 113 15.187 -10.880 -3.142 950 H HIS 114 H HIS 114 16.387 -11.601 1.020 951 HA HIS 114 HA HIS 114 18.726 -11.173 2.711 952 1HB HIS 114 2HB HIS 114 16.859 -9.287 1.273 953 2HB HIS 114 1HB HIS 114 18.096 -8.726 2.389 954 HD1 HIS 114 1HD HIS 114 20.179 -10.994 1.271 955 HD2 HIS 114 2HD HIS 114 18.180 -8.044 -0.867 956 HE1 HIS 114 1HE HIS 114 21.547 -10.623 -0.807 957 HE2 HIS 114 2HE HIS 114 20.239 -8.942 -2.148 958 H HIS 115 H HIS 115 18.472 -9.510 4.500 959 HA HIS 115 HA HIS 115 15.976 -9.189 5.807 960 1HB HIS 115 2HB HIS 115 16.557 -10.577 7.842 961 2HB HIS 115 1HB HIS 115 16.090 -11.485 6.411 962 HD1 HIS 115 1HD HIS 115 19.541 -10.245 6.242 963 HD2 HIS 115 2HD HIS 115 17.587 -13.610 7.704 964 HE1 HIS 115 1HE HIS 115 21.334 -11.967 6.578 965 HE2 HIS 115 2HE HIS 115 20.146 -13.956 7.567 966 H HIS 116 H HIS 116 18.045 -7.459 5.079 967 HA HIS 116 HA HIS 116 19.229 -6.703 7.665 968 1HB HIS 116 2HB HIS 116 20.165 -6.457 4.852 969 2HB HIS 116 1HB HIS 116 20.585 -5.150 5.952 970 HD1 HIS 116 1HD HIS 116 22.307 -7.712 4.622 971 HD2 HIS 116 2HD HIS 116 21.402 -6.862 8.588 972 HE1 HIS 116 1HE HIS 116 24.044 -8.920 5.982 973 HE2 HIS 116 2HE HIS 116 23.463 -8.409 8.381 Start of MODEL 5 1 1H MET 0 1HT MET 0 -2.062 -29.401 -3.783 2 2H MET 0 2HT MET 0 -2.353 -27.963 -2.893 3 3H MET 0 3HT MET 0 -1.530 -27.892 -4.396 4 HA MET 0 HA MET 0 -3.604 -28.923 -5.359 5 1HB MET 0 2HB MET 0 -4.580 -27.878 -2.692 6 2HB MET 0 1HB MET 0 -5.641 -28.255 -4.042 7 1HG MET 0 2HG MET 0 -3.791 -30.396 -3.224 8 2HG MET 0 1HG MET 0 -5.053 -29.975 -2.069 9 1HE MET 0 1HE MET 0 -8.191 -30.920 -3.235 10 2HE MET 0 2HE MET 0 -7.024 -30.591 -1.955 11 3HE MET 0 3HE MET 0 -7.242 -32.238 -2.547 12 H GLU 1 H GLU 1 -2.662 -26.023 -3.595 13 HA GLU 1 HA GLU 1 -2.671 -23.818 -4.121 14 1HB GLU 1 2HB GLU 1 -2.388 -25.202 -6.654 15 2HB GLU 1 1HB GLU 1 -3.241 -23.679 -6.860 16 1HG GLU 1 2HG GLU 1 -1.307 -22.699 -5.438 17 2HG GLU 1 1HG GLU 1 -0.460 -24.175 -5.898 18 H GLU 2 H GLU 2 -5.171 -25.217 -3.431 19 HA GLU 2 HA GLU 2 -7.094 -23.347 -4.649 20 1HB GLU 2 2HB GLU 2 -7.281 -25.959 -4.994 21 2HB GLU 2 1HB GLU 2 -7.989 -25.906 -3.385 22 1HG GLU 2 2HG GLU 2 -9.862 -24.833 -4.089 23 2HG GLU 2 1HG GLU 2 -9.032 -24.006 -5.406 24 H VAL 3 H VAL 3 -8.678 -22.437 -3.287 25 HA VAL 3 HA VAL 3 -9.493 -21.483 -1.394 26 HB VAL 3 HB VAL 3 -8.247 -23.737 0.177 27 1HG1 VAL 3 1HG1 VAL 3 -10.355 -21.697 0.678 28 2HG1 VAL 3 2HG1 VAL 3 -9.096 -22.309 1.748 29 3HG1 VAL 3 3HG1 VAL 3 -10.528 -23.286 1.424 30 1HG2 VAL 3 1HG2 VAL 3 -9.430 -25.054 -1.242 31 2HG2 VAL 3 2HG2 VAL 3 -10.530 -23.756 -1.707 32 3HG2 VAL 3 3HG2 VAL 3 -10.757 -24.597 -0.173 33 H GLU 4 H GLU 4 -6.545 -21.203 -2.296 34 HA GLU 4 HA GLU 4 -5.332 -20.283 0.198 35 1HB GLU 4 2HB GLU 4 -4.254 -20.606 -2.603 36 2HB GLU 4 1HB GLU 4 -3.339 -19.850 -1.306 37 1HG GLU 4 2HG GLU 4 -4.478 -22.554 -0.838 38 2HG GLU 4 1HG GLU 4 -3.068 -22.397 -1.887 39 H GLN 5 H GLN 5 -7.060 -19.067 -2.488 40 HA GLN 5 HA GLN 5 -5.978 -16.468 -2.671 41 1HB GLN 5 2HB GLN 5 -8.169 -15.904 -3.754 42 2HB GLN 5 1HB GLN 5 -7.329 -17.270 -4.469 43 1HG GLN 5 2HG GLN 5 -9.222 -18.399 -4.299 44 2HG GLN 5 1HG GLN 5 -8.986 -18.406 -2.553 45 1HE2 GLN 5 1HE2 GLN 5 -10.566 -17.567 -1.370 46 2HE2 GLN 5 2HE2 GLN 5 -11.782 -16.480 -1.935 47 H THR 6 H THR 6 -8.535 -17.853 -0.669 48 HA THR 6 HA THR 6 -9.505 -15.409 0.364 49 HB THR 6 HB THR 6 -9.838 -17.509 2.291 50 HG1 THR 6 1HG THR 6 -10.308 -19.199 1.114 51 1HG2 THR 6 1HG2 THR 6 -11.574 -15.992 2.147 52 2HG2 THR 6 2HG2 THR 6 -12.221 -17.419 1.339 53 3HG2 THR 6 3HG2 THR 6 -11.623 -16.061 0.386 54 HA PRO 7 HA PRO 7 -6.683 -16.398 4.271 55 1HB PRO 7 2HB PRO 7 -4.588 -17.978 2.870 56 2HB PRO 7 1HB PRO 7 -5.239 -18.166 4.501 57 1HG PRO 7 2HG PRO 7 -5.921 -19.860 2.566 58 2HG PRO 7 1HG PRO 7 -7.114 -19.316 3.762 59 1HD PRO 7 2HD PRO 7 -6.750 -18.458 0.924 60 2HD PRO 7 1HD PRO 7 -8.246 -18.709 1.844 61 H LEU 8 H LEU 8 -5.251 -16.173 1.027 62 HA LEU 8 HA LEU 8 -3.068 -14.531 1.773 63 1HB LEU 8 2HB LEU 8 -4.094 -15.705 -0.622 64 2HB LEU 8 1HB LEU 8 -3.768 -14.011 -0.929 65 HG LEU 8 HG LEU 8 -1.556 -15.185 0.496 66 1HD1 LEU 8 1HD1 LEU 8 -1.763 -16.430 -2.181 67 2HD1 LEU 8 2HD1 LEU 8 -2.694 -17.162 -0.875 68 3HD1 LEU 8 3HD1 LEU 8 -0.946 -16.994 -0.723 69 1HD2 LEU 8 1HD2 LEU 8 -1.292 -14.414 -2.337 70 2HD2 LEU 8 2HD2 LEU 8 -0.358 -13.911 -0.930 71 3HD2 LEU 8 3HD2 LEU 8 -1.926 -13.176 -1.256 72 H GLN 9 H GLN 9 -6.295 -13.754 0.446 73 HA GLN 9 HA GLN 9 -5.823 -10.964 0.272 74 1HB GLN 9 2HB GLN 9 -8.211 -10.710 -0.025 75 2HB GLN 9 1HB GLN 9 -7.637 -12.073 -0.971 76 1HG GLN 9 2HG GLN 9 -8.832 -13.574 0.217 77 2HG GLN 9 1HG GLN 9 -8.655 -12.689 1.730 78 1HE2 GLN 9 1HE2 GLN 9 -9.918 -11.569 -1.385 79 2HE2 GLN 9 2HE2 GLN 9 -11.499 -11.195 -0.804 80 H GLU 10 H GLU 10 -7.015 -13.037 2.854 81 HA GLU 10 HA GLU 10 -7.938 -11.007 4.582 82 1HB GLU 10 2HB GLU 10 -8.248 -13.581 4.721 83 2HB GLU 10 1HB GLU 10 -6.710 -13.566 5.573 84 1HG GLU 10 2HG GLU 10 -7.572 -12.416 7.383 85 2HG GLU 10 1HG GLU 10 -8.935 -11.783 6.460 86 H ALA 11 H ALA 11 -4.787 -12.630 4.304 87 HA ALA 11 HA ALA 11 -3.490 -11.366 6.437 88 1HB ALA 11 1HB ALA 11 -2.356 -12.399 3.838 89 2HB ALA 11 2HB ALA 11 -2.506 -13.282 5.357 90 3HB ALA 11 3HB ALA 11 -1.391 -11.922 5.235 91 H LEU 12 H LEU 12 -3.736 -10.434 3.015 92 HA LEU 12 HA LEU 12 -2.134 -8.140 3.129 93 1HB LEU 12 2HB LEU 12 -4.180 -9.219 1.300 94 2HB LEU 12 1HB LEU 12 -3.970 -7.480 1.232 95 HG LEU 12 HG LEU 12 -1.454 -8.998 1.156 96 1HD1 LEU 12 1HD1 LEU 12 -3.322 -10.280 -0.209 97 2HD1 LEU 12 2HD1 LEU 12 -1.682 -10.090 -0.827 98 3HD1 LEU 12 3HD1 LEU 12 -2.967 -9.027 -1.399 99 1HD2 LEU 12 1HD2 LEU 12 -0.746 -7.214 -0.027 100 2HD2 LEU 12 2HD2 LEU 12 -2.181 -6.450 0.656 101 3HD2 LEU 12 3HD2 LEU 12 -2.229 -7.116 -0.976 102 H ASN 13 H ASN 13 -5.589 -8.595 3.765 103 HA ASN 13 HA ASN 13 -6.242 -5.866 4.089 104 1HB ASN 13 2HB ASN 13 -7.533 -8.393 5.123 105 2HB ASN 13 1HB ASN 13 -8.205 -6.792 5.423 106 1HD2 ASN 13 1HD2 ASN 13 -10.068 -7.662 4.281 107 2HD2 ASN 13 2HD2 ASN 13 -10.094 -7.610 2.555 108 H GLN 14 H GLN 14 -5.113 -8.333 6.367 109 HA GLN 14 HA GLN 14 -5.431 -6.794 8.716 110 1HB GLN 14 2HB GLN 14 -4.054 -9.290 7.962 111 2HB GLN 14 1HB GLN 14 -3.342 -8.436 9.324 112 1HG GLN 14 2HG GLN 14 -5.079 -8.877 10.688 113 2HG GLN 14 1HG GLN 14 -6.269 -8.756 9.392 114 1HE2 GLN 14 1HE2 GLN 14 -5.939 -10.576 7.688 115 2HE2 GLN 14 2HE2 GLN 14 -5.791 -12.166 8.347 116 H LEU 15 H LEU 15 -2.742 -7.168 6.445 117 HA LEU 15 HA LEU 15 -0.918 -5.566 7.939 118 1HB LEU 15 2HB LEU 15 -0.886 -6.224 4.992 119 2HB LEU 15 1HB LEU 15 0.460 -5.607 5.928 120 HG LEU 15 HG LEU 15 -0.832 -8.238 6.600 121 1HD1 LEU 15 1HD1 LEU 15 1.550 -7.893 4.791 122 2HD1 LEU 15 2HD1 LEU 15 -0.088 -8.188 4.204 123 3HD1 LEU 15 3HD1 LEU 15 0.717 -9.389 5.214 124 1HD2 LEU 15 1HD2 LEU 15 0.723 -7.009 8.190 125 2HD2 LEU 15 2HD2 LEU 15 2.003 -7.337 7.025 126 3HD2 LEU 15 3HD2 LEU 15 1.149 -8.673 7.795 127 H MET 16 H MET 16 -3.226 -4.936 5.342 128 HA MET 16 HA MET 16 -2.426 -2.296 4.764 129 1HB MET 16 2HB MET 16 -3.951 -3.847 3.410 130 2HB MET 16 1HB MET 16 -5.238 -3.340 4.494 131 1HG MET 16 2HG MET 16 -5.264 -2.067 2.432 132 2HG MET 16 1HG MET 16 -4.928 -1.032 3.816 133 1HE MET 16 1HE MET 16 -1.599 -2.496 0.971 134 2HE MET 16 2HE MET 16 -3.292 -2.930 0.736 135 3HE MET 16 3HE MET 16 -2.422 -3.514 2.154 136 H ARG 17 H ARG 17 -4.950 -3.575 6.939 137 HA ARG 17 HA ARG 17 -5.892 -1.062 7.805 138 1HB ARG 17 2HB ARG 17 -6.927 -2.276 9.673 139 2HB ARG 17 1HB ARG 17 -7.216 -3.071 8.133 140 1HG ARG 17 2HG ARG 17 -6.113 -4.926 8.738 141 2HG ARG 17 1HG ARG 17 -4.857 -4.032 9.591 142 1HD ARG 17 2HD ARG 17 -7.292 -3.707 11.014 143 2HD ARG 17 1HD ARG 17 -7.090 -5.423 10.659 144 HE ARG 17 HE ARG 17 -4.692 -4.257 11.672 145 1HH1 ARG 17 1HH1 ARG 17 -7.811 -5.519 12.645 146 2HH1 ARG 17 2HH1 ARG 17 -7.276 -5.954 14.232 147 1HH2 ARG 17 1HH2 ARG 17 -3.995 -4.830 13.765 148 2HH2 ARG 17 2HH2 ARG 17 -5.110 -5.565 14.868 149 H GLN 18 H GLN 18 -3.283 -3.136 8.953 150 HA GLN 18 HA GLN 18 -2.744 -1.779 11.361 151 1HB GLN 18 2HB GLN 18 -1.840 -4.046 10.559 152 2HB GLN 18 1HB GLN 18 -0.640 -3.117 9.671 153 1HG GLN 18 2HG GLN 18 -0.002 -2.049 11.852 154 2HG GLN 18 1HG GLN 18 -1.046 -3.226 12.647 155 1HE2 GLN 18 1HE2 GLN 18 1.701 -2.953 10.444 156 2HE2 GLN 18 2HE2 GLN 18 2.478 -4.412 10.946 157 H LEU 19 H LEU 19 -1.566 -1.319 8.052 158 HA LEU 19 HA LEU 19 0.302 0.723 8.629 159 1HB LEU 19 2HB LEU 19 -1.030 -0.347 6.210 160 2HB LEU 19 1HB LEU 19 -0.430 1.295 6.091 161 HG LEU 19 HG LEU 19 1.521 -0.581 7.216 162 1HD1 LEU 19 1HD1 LEU 19 0.281 -2.021 5.582 163 2HD1 LEU 19 2HD1 LEU 19 1.994 -1.794 5.228 164 3HD1 LEU 19 3HD1 LEU 19 0.778 -0.899 4.317 165 1HD2 LEU 19 1HD2 LEU 19 1.476 1.527 5.073 166 2HD2 LEU 19 2HD2 LEU 19 2.891 0.522 5.380 167 3HD2 LEU 19 3HD2 LEU 19 2.268 1.577 6.647 168 H GLN 20 H GLN 20 -3.131 0.784 7.746 169 HA GLN 20 HA GLN 20 -3.425 3.557 7.464 170 1HB GLN 20 2HB GLN 20 -5.104 1.311 7.371 171 2HB GLN 20 1HB GLN 20 -5.786 2.344 8.619 172 1HG GLN 20 2HG GLN 20 -5.099 3.962 6.382 173 2HG GLN 20 1HG GLN 20 -6.024 2.572 5.815 174 1HE2 GLN 20 1HE2 GLN 20 -6.099 5.541 7.529 175 2HE2 GLN 20 2HE2 GLN 20 -7.794 5.560 7.857 176 H ARG 21 H ARG 21 -3.646 1.492 10.326 177 HA ARG 21 HA ARG 21 -4.533 3.512 12.107 178 1HB ARG 21 2HB ARG 21 -3.270 0.812 12.487 179 2HB ARG 21 1HB ARG 21 -3.594 1.860 13.860 180 1HG ARG 21 2HG ARG 21 -5.795 1.454 13.812 181 2HG ARG 21 1HG ARG 21 -5.869 1.502 12.050 182 1HD ARG 21 2HD ARG 21 -4.645 -0.776 12.176 183 2HD ARG 21 1HD ARG 21 -5.191 -0.794 13.851 184 HE ARG 21 HE ARG 21 -6.794 -1.181 11.493 185 1HH1 ARG 21 1HH1 ARG 21 -6.844 -0.253 14.871 186 2HH1 ARG 21 2HH1 ARG 21 -8.513 -0.657 15.085 187 1HH2 ARG 21 1HH2 ARG 21 -8.996 -1.708 11.781 188 2HH2 ARG 21 2HH2 ARG 21 -9.735 -1.485 13.332 189 H LYS 22 H LYS 22 -1.451 2.894 10.731 190 HA LYS 22 HA LYS 22 0.363 3.579 12.666 191 1HB LYS 22 2HB LYS 22 0.822 2.909 10.272 192 2HB LYS 22 1HB LYS 22 0.507 4.575 9.817 193 1HG LYS 22 2HG LYS 22 2.470 5.336 10.704 194 2HG LYS 22 1HG LYS 22 2.535 4.068 11.930 195 1HD LYS 22 2HD LYS 22 2.746 3.236 9.090 196 2HD LYS 22 1HD LYS 22 4.132 4.074 9.792 197 1HE LYS 22 2HE LYS 22 2.956 1.922 11.435 198 2HE LYS 22 1HE LYS 22 3.735 1.405 9.941 199 1HZ LYS 22 1HZ LYS 22 4.909 2.632 12.324 200 2HZ LYS 22 2HZ LYS 22 5.610 3.001 10.829 201 3HZ LYS 22 3HZ LYS 22 5.509 1.393 11.338 202 H ASP 23 H ASP 23 -0.673 6.021 10.269 203 HA ASP 23 HA ASP 23 -1.731 7.957 11.833 204 1HB ASP 23 2HB ASP 23 1.067 7.670 12.460 205 2HB ASP 23 1HB ASP 23 0.755 9.271 11.806 206 HA PRO 24 HA PRO 24 0.347 10.256 8.093 207 1HB PRO 24 2HB PRO 24 2.031 8.707 6.584 208 2HB PRO 24 1HB PRO 24 2.564 9.767 7.894 209 1HG PRO 24 2HG PRO 24 2.065 6.817 7.931 210 2HG PRO 24 1HG PRO 24 3.397 7.734 8.658 211 1HD PRO 24 2HD PRO 24 1.334 6.838 10.106 212 2HD PRO 24 1HD PRO 24 2.105 8.393 10.466 213 H SER 25 H SER 25 -0.553 6.872 7.908 214 HA SER 25 HA SER 25 -1.296 6.752 5.201 215 1HB SER 25 2HB SER 25 -2.384 5.200 7.560 216 2HB SER 25 1HB SER 25 -2.697 4.811 5.870 217 HG SER 25 HG SER 25 -0.977 3.580 6.553 218 H ALA 26 H ALA 26 -2.876 8.206 7.928 219 HA ALA 26 HA ALA 26 -5.542 8.164 7.206 220 1HB ALA 26 1HB ALA 26 -3.845 10.039 8.754 221 2HB ALA 26 2HB ALA 26 -5.258 9.113 9.255 222 3HB ALA 26 3HB ALA 26 -5.459 10.576 8.290 223 H PHE 27 H PHE 27 -2.934 10.022 5.793 224 HA PHE 27 HA PHE 27 -4.592 11.900 4.422 225 1HB PHE 27 2HB PHE 27 -1.776 11.117 3.659 226 2HB PHE 27 1HB PHE 27 -2.602 12.629 3.311 227 HD1 PHE 27 2HD PHE 27 -3.745 13.327 5.924 228 HD2 PHE 27 1HD PHE 27 0.058 11.689 4.935 229 HE1 PHE 27 2HE PHE 27 -2.794 14.307 7.970 230 HE2 PHE 27 1HE PHE 27 1.013 12.666 6.981 231 HZ PHE 27 HZ PHE 27 -0.412 13.978 8.500 232 H PHE 28 H PHE 28 -2.866 8.953 3.381 233 HA PHE 28 HA PHE 28 -4.343 9.038 0.844 234 1HB PHE 28 2HB PHE 28 -2.127 7.108 1.504 235 2HB PHE 28 1HB PHE 28 -2.687 7.631 -0.079 236 HD1 PHE 28 2HD PHE 28 -2.637 10.449 -0.085 237 HD2 PHE 28 1HD PHE 28 0.024 7.781 1.892 238 HE1 PHE 28 2HE PHE 28 -0.881 12.169 -0.132 239 HE2 PHE 28 1HE PHE 28 1.785 9.496 1.848 240 HZ PHE 28 HZ PHE 28 1.334 11.695 0.834 241 H SER 29 H SER 29 -5.605 8.254 3.363 242 HA SER 29 HA SER 29 -5.910 5.396 3.331 243 1HB SER 29 2HB SER 29 -6.173 6.323 5.467 244 2HB SER 29 1HB SER 29 -7.173 7.646 4.873 245 HG SER 29 HG SER 29 -8.000 4.932 4.823 246 H PHE 30 H PHE 30 -7.396 8.032 1.689 247 HA PHE 30 HA PHE 30 -9.489 6.227 0.691 248 1HB PHE 30 2HB PHE 30 -10.618 8.648 0.298 249 2HB PHE 30 1HB PHE 30 -10.898 7.669 1.730 250 HD1 PHE 30 2HD PHE 30 -8.365 10.141 0.517 251 HD2 PHE 30 1HD PHE 30 -10.809 8.786 3.728 252 HE1 PHE 30 2HE PHE 30 -7.535 11.982 1.922 253 HE2 PHE 30 1HE PHE 30 -9.986 10.628 5.136 254 HZ PHE 30 HZ PHE 30 -8.347 12.230 4.234 255 HA PRO 31 HA PRO 31 -8.049 6.824 -3.432 256 1HB PRO 31 2HB PRO 31 -10.867 7.478 -4.146 257 2HB PRO 31 1HB PRO 31 -9.773 6.281 -4.850 258 1HG PRO 31 2HG PRO 31 -11.741 5.529 -3.223 259 2HG PRO 31 1HG PRO 31 -10.154 4.740 -3.165 260 1HD PRO 31 2HD PRO 31 -11.350 6.731 -1.289 261 2HD PRO 31 1HD PRO 31 -10.279 5.356 -0.953 262 H VAL 32 H VAL 32 -6.897 8.601 -3.860 263 HA VAL 32 HA VAL 32 -7.609 11.213 -3.219 264 HB VAL 32 HB VAL 32 -5.856 11.903 -4.915 265 1HG1 VAL 32 1HG1 VAL 32 -4.019 11.097 -3.506 266 2HG1 VAL 32 2HG1 VAL 32 -5.120 9.950 -2.742 267 3HG1 VAL 32 3HG1 VAL 32 -5.380 11.684 -2.551 268 1HG2 VAL 32 1HG2 VAL 32 -4.595 9.368 -5.090 269 2HG2 VAL 32 2HG2 VAL 32 -5.139 10.427 -6.391 270 3HG2 VAL 32 3HG2 VAL 32 -6.237 9.227 -5.715 271 H THR 33 H THR 33 -7.855 13.044 -4.720 272 HA THR 33 HA THR 33 -8.949 12.625 -7.323 273 HB THR 33 HB THR 33 -11.153 13.899 -6.373 274 HG1 THR 33 1HG THR 33 -11.556 13.427 -4.378 275 1HG2 THR 33 1HG2 THR 33 -11.310 10.972 -6.114 276 2HG2 THR 33 2HG2 THR 33 -10.780 11.608 -7.673 277 3HG2 THR 33 3HG2 THR 33 -12.337 12.096 -7.000 278 H ASP 34 H ASP 34 -10.371 14.954 -7.667 279 HA ASP 34 HA ASP 34 -8.295 16.896 -7.721 280 1HB ASP 34 2HB ASP 34 -10.609 16.485 -9.137 281 2HB ASP 34 1HB ASP 34 -11.034 17.872 -8.143 282 H PHE 35 H PHE 35 -10.223 15.930 -5.192 283 HA PHE 35 HA PHE 35 -10.035 18.567 -3.891 284 1HB PHE 35 2HB PHE 35 -12.357 18.195 -4.172 285 2HB PHE 35 1HB PHE 35 -12.213 16.487 -3.780 286 HD1 PHE 35 2HD PHE 35 -11.844 15.795 -1.415 287 HD2 PHE 35 1HD PHE 35 -12.692 19.824 -2.496 288 HE1 PHE 35 2HE PHE 35 -12.463 16.284 0.914 289 HE2 PHE 35 1HE PHE 35 -13.312 20.320 -0.169 290 HZ PHE 35 HZ PHE 35 -13.200 18.549 1.541 291 H ILE 36 H ILE 36 -9.961 15.057 -3.519 292 HA ILE 36 HA ILE 36 -9.089 15.074 -0.813 293 HB ILE 36 HB ILE 36 -9.090 12.944 -2.948 294 1HG1 ILE 36 2HG1 ILE 36 -10.741 13.251 -0.431 295 2HG1 ILE 36 1HG1 ILE 36 -11.279 13.721 -2.039 296 1HG2 ILE 36 1HG2 ILE 36 -8.599 11.347 -1.129 297 2HG2 ILE 36 2HG2 ILE 36 -8.278 12.714 -0.063 298 3HG2 ILE 36 3HG2 ILE 36 -7.266 12.445 -1.481 299 1HD1 ILE 36 1HD1 ILE 36 -12.199 11.575 -1.403 300 2HD1 ILE 36 2HD1 ILE 36 -10.575 10.934 -1.154 301 3HD1 ILE 36 3HD1 ILE 36 -11.102 11.399 -2.772 302 H ALA 37 H ALA 37 -7.480 15.014 -3.944 303 HA ALA 37 HA ALA 37 -4.856 14.980 -2.602 304 1HB ALA 37 1HB ALA 37 -5.805 14.007 -5.244 305 2HB ALA 37 2HB ALA 37 -4.669 13.278 -4.108 306 3HB ALA 37 3HB ALA 37 -4.156 14.618 -5.129 307 HA PRO 38 HA PRO 38 -4.208 19.149 -3.846 308 1HB PRO 38 2HB PRO 38 -1.370 18.853 -4.134 309 2HB PRO 38 1HB PRO 38 -2.259 19.547 -2.779 310 1HG PRO 38 2HG PRO 38 -0.858 17.167 -2.704 311 2HG PRO 38 1HG PRO 38 -2.142 17.626 -1.579 312 1HD PRO 38 2HD PRO 38 -2.238 15.782 -3.914 313 2HD PRO 38 1HD PRO 38 -3.116 15.708 -2.376 314 H GLY 39 H GLY 39 -3.787 16.726 -5.930 315 1HA GLY 39 2HA GLY 39 -4.350 17.675 -8.273 316 2HA GLY 39 1HA GLY 39 -2.751 18.383 -8.115 317 H TYR 40 H TYR 40 -3.729 15.178 -6.996 318 HA TYR 40 HA TYR 40 -1.506 13.889 -8.147 319 1HB TYR 40 2HB TYR 40 -4.082 12.930 -6.952 320 2HB TYR 40 1HB TYR 40 -3.040 11.788 -7.793 321 HD1 TYR 40 1HD TYR 40 -2.147 14.661 -5.596 322 HD2 TYR 40 2HD TYR 40 -2.108 10.436 -6.124 323 HE1 TYR 40 1HE TYR 40 -0.794 14.425 -3.561 324 HE2 TYR 40 2HE TYR 40 -0.759 10.192 -4.088 325 HH TYR 40 HH TYR 40 -0.208 12.812 -1.912 326 H SER 41 H SER 41 -4.779 14.434 -9.343 327 HA SER 41 HA SER 41 -4.690 12.657 -11.514 328 1HB SER 41 2HB SER 41 -6.324 15.038 -10.800 329 2HB SER 41 1HB SER 41 -6.344 14.528 -12.488 330 HG SER 41 HG SER 41 -7.023 12.974 -10.210 331 H MET 42 H MET 42 -3.199 15.765 -11.067 332 HA MET 42 HA MET 42 -2.786 16.314 -13.846 333 1HB MET 42 2HB MET 42 -2.041 17.569 -11.276 334 2HB MET 42 1HB MET 42 -0.961 17.886 -12.627 335 1HG MET 42 2HG MET 42 -3.931 18.373 -12.632 336 2HG MET 42 1HG MET 42 -2.695 19.602 -12.362 337 1HE MET 42 1HE MET 42 -0.588 19.836 -14.709 338 2HE MET 42 2HE MET 42 -1.710 20.900 -13.861 339 3HE MET 42 3HE MET 42 -1.729 20.822 -15.621 340 H ILE 43 H ILE 43 -0.749 14.929 -11.265 341 HA ILE 43 HA ILE 43 1.248 14.294 -13.344 342 HB ILE 43 HB ILE 43 1.799 15.911 -11.354 343 1HG1 ILE 43 2HG1 ILE 43 3.776 13.725 -11.974 344 2HG1 ILE 43 1HG1 ILE 43 3.303 14.924 -13.172 345 1HG2 ILE 43 1HG2 ILE 43 2.816 14.803 -9.445 346 2HG2 ILE 43 2HG2 ILE 43 2.336 13.232 -10.083 347 3HG2 ILE 43 3HG2 ILE 43 1.106 14.390 -9.572 348 1HD1 ILE 43 1HD1 ILE 43 5.283 15.122 -11.174 349 2HD1 ILE 43 2HD1 ILE 43 4.014 16.281 -10.783 350 3HD1 ILE 43 3HD1 ILE 43 4.796 16.331 -12.363 351 H ILE 44 H ILE 44 -0.314 13.067 -10.414 352 HA ILE 44 HA ILE 44 0.848 10.427 -10.841 353 HB ILE 44 HB ILE 44 -0.801 11.578 -8.589 354 1HG1 ILE 44 2HG1 ILE 44 1.390 12.381 -8.392 355 2HG1 ILE 44 1HG1 ILE 44 1.360 10.979 -7.330 356 1HG2 ILE 44 1HG2 ILE 44 0.151 8.765 -9.023 357 2HG2 ILE 44 2HG2 ILE 44 -1.483 9.327 -8.679 358 3HG2 ILE 44 3HG2 ILE 44 -0.244 9.398 -7.426 359 1HD1 ILE 44 1HD1 ILE 44 2.320 9.685 -9.308 360 2HD1 ILE 44 2HD1 ILE 44 3.380 10.822 -8.479 361 3HD1 ILE 44 3HD1 ILE 44 2.647 11.265 -10.019 362 H LYS 45 H LYS 45 -0.241 9.772 -12.701 363 HA LYS 45 HA LYS 45 -2.962 9.916 -13.221 364 1HB LYS 45 2HB LYS 45 -0.720 8.245 -14.196 365 2HB LYS 45 1HB LYS 45 -2.336 7.630 -14.505 366 1HG LYS 45 2HG LYS 45 -2.307 10.385 -15.188 367 2HG LYS 45 1HG LYS 45 -0.894 9.620 -15.918 368 1HD LYS 45 2HD LYS 45 -2.713 7.771 -16.533 369 2HD LYS 45 1HD LYS 45 -3.783 9.170 -16.431 370 1HE LYS 45 2HE LYS 45 -2.408 10.358 -18.054 371 2HE LYS 45 1HE LYS 45 -1.294 8.993 -18.129 372 1HZ LYS 45 1HZ LYS 45 -2.758 8.882 -19.990 373 2HZ LYS 45 2HZ LYS 45 -4.129 9.036 -19.013 374 3HZ LYS 45 3HZ LYS 45 -3.189 7.632 -18.934 375 H HIS 46 H HIS 46 -1.289 6.931 -12.140 376 HA HIS 46 HA HIS 46 -3.823 6.124 -10.874 377 1HB HIS 46 2HB HIS 46 -2.015 4.724 -12.645 378 2HB HIS 46 1HB HIS 46 -2.215 3.842 -11.135 379 HD1 HIS 46 1HD HIS 46 -5.053 3.955 -10.470 380 HD2 HIS 46 2HD HIS 46 -3.793 3.770 -14.424 381 HE1 HIS 46 1HE HIS 46 -7.019 3.067 -11.759 382 HE2 HIS 46 2HE HIS 46 -6.199 2.870 -14.134 383 HA PRO 47 HA PRO 47 -1.030 6.535 -7.285 384 1HB PRO 47 2HB PRO 47 -2.875 7.502 -5.584 385 2HB PRO 47 1HB PRO 47 -2.047 8.528 -6.756 386 1HG PRO 47 2HG PRO 47 -4.804 7.414 -6.823 387 2HG PRO 47 1HG PRO 47 -4.203 8.969 -7.419 388 1HD PRO 47 2HD PRO 47 -4.718 6.730 -8.986 389 2HD PRO 47 1HD PRO 47 -3.713 8.110 -9.459 390 H MET 48 H MET 48 -4.351 5.311 -7.237 391 HA MET 48 HA MET 48 -5.352 3.579 -6.157 392 1HB MET 48 2HB MET 48 -2.603 2.322 -6.254 393 2HB MET 48 1HB MET 48 -4.144 1.483 -6.133 394 1HG MET 48 2HG MET 48 -3.838 3.256 -8.465 395 2HG MET 48 1HG MET 48 -2.789 1.840 -8.434 396 1HE MET 48 1HE MET 48 -7.386 1.586 -8.146 397 2HE MET 48 2HE MET 48 -6.429 3.037 -7.855 398 3HE MET 48 3HE MET 48 -6.381 1.703 -6.702 399 H ASP 49 H ASP 49 -5.662 4.898 -4.283 400 HA ASP 49 HA ASP 49 -3.846 5.011 -2.127 401 1HB ASP 49 2HB ASP 49 -6.803 5.535 -2.361 402 2HB ASP 49 1HB ASP 49 -5.958 5.676 -0.822 403 H PHE 50 H PHE 50 -4.525 4.234 0.128 404 HA PHE 50 HA PHE 50 -4.377 1.438 0.173 405 1HB PHE 50 2HB PHE 50 -5.298 3.145 2.491 406 2HB PHE 50 1HB PHE 50 -4.488 1.581 2.554 407 HD1 PHE 50 2HD PHE 50 -2.293 1.890 0.684 408 HD2 PHE 50 1HD PHE 50 -3.868 4.670 3.496 409 HE1 PHE 50 2HE PHE 50 -0.119 3.032 0.765 410 HE2 PHE 50 1HE PHE 50 -1.695 5.818 3.579 411 HZ PHE 50 HZ PHE 50 0.182 4.999 2.212 412 H SER 51 H SER 51 -7.172 3.576 0.326 413 HA SER 51 HA SER 51 -9.004 1.545 1.168 414 1HB SER 51 2HB SER 51 -9.868 3.629 1.646 415 2HB SER 51 1HB SER 51 -9.252 4.345 0.160 416 HG SER 51 HG SER 51 -11.562 2.774 0.552 417 H THR 52 H THR 52 -8.067 2.898 -1.977 418 HA THR 52 HA THR 52 -9.974 1.489 -3.511 419 HB THR 52 HB THR 52 -7.355 2.108 -4.764 420 HG1 THR 52 1HG THR 52 -7.718 4.326 -4.653 421 1HG2 THR 52 1HG2 THR 52 -10.136 2.027 -5.528 422 2HG2 THR 52 2HG2 THR 52 -8.686 2.003 -6.528 423 3HG2 THR 52 3HG2 THR 52 -9.370 3.541 -6.005 424 H MET 53 H MET 53 -6.595 0.759 -2.681 425 HA MET 53 HA MET 53 -6.511 -1.674 -4.145 426 1HB MET 53 2HB MET 53 -4.413 -2.104 -3.006 427 2HB MET 53 1HB MET 53 -4.479 -0.431 -3.536 428 1HG MET 53 2HG MET 53 -5.105 0.229 -1.238 429 2HG MET 53 1HG MET 53 -4.908 -1.449 -0.737 430 1HE MET 53 1HE MET 53 -2.890 -2.763 -1.487 431 2HE MET 53 2HE MET 53 -1.276 -2.216 -1.036 432 3HE MET 53 3HE MET 53 -1.859 -1.981 -2.684 433 H LYS 54 H LYS 54 -7.185 -0.914 -0.738 434 HA LYS 54 HA LYS 54 -7.288 -3.539 0.235 435 1HB LYS 54 2HB LYS 54 -7.302 -1.427 1.605 436 2HB LYS 54 1HB LYS 54 -9.000 -1.238 1.188 437 1HG LYS 54 2HG LYS 54 -9.142 -3.693 2.154 438 2HG LYS 54 1HG LYS 54 -7.691 -3.177 3.015 439 1HD LYS 54 2HD LYS 54 -9.089 -2.295 4.520 440 2HD LYS 54 1HD LYS 54 -9.387 -1.032 3.323 441 1HE LYS 54 2HE LYS 54 -11.427 -1.858 2.755 442 2HE LYS 54 1HE LYS 54 -10.953 -3.531 3.057 443 1HZ LYS 54 1HZ LYS 54 -12.521 -2.921 4.706 444 2HZ LYS 54 2HZ LYS 54 -11.705 -1.483 5.067 445 3HZ LYS 54 3HZ LYS 54 -11.013 -2.972 5.473 446 H GLU 55 H GLU 55 -9.844 -1.514 -1.184 447 HA GLU 55 HA GLU 55 -11.941 -3.386 -0.848 448 1HB GLU 55 2HB GLU 55 -11.965 -0.832 -1.504 449 2HB GLU 55 1HB GLU 55 -11.921 -1.466 -3.143 450 1HG GLU 55 2HG GLU 55 -13.919 -2.756 -1.457 451 2HG GLU 55 1HG GLU 55 -14.170 -1.023 -1.651 452 H LYS 56 H LYS 56 -9.549 -2.866 -3.374 453 HA LYS 56 HA LYS 56 -10.678 -4.637 -5.281 454 1HB LYS 56 2HB LYS 56 -8.005 -3.341 -4.915 455 2HB LYS 56 1HB LYS 56 -8.174 -4.643 -6.085 456 1HG LYS 56 2HG LYS 56 -10.243 -3.162 -6.851 457 2HG LYS 56 1HG LYS 56 -9.253 -1.887 -6.137 458 1HD LYS 56 2HD LYS 56 -7.731 -1.977 -7.791 459 2HD LYS 56 1HD LYS 56 -7.771 -3.741 -7.860 460 1HE LYS 56 2HE LYS 56 -8.684 -3.260 -9.895 461 2HE LYS 56 1HE LYS 56 -10.149 -3.295 -8.916 462 1HZ LYS 56 1HZ LYS 56 -9.883 -0.837 -8.672 463 2HZ LYS 56 2HZ LYS 56 -10.230 -1.355 -10.244 464 3HZ LYS 56 3HZ LYS 56 -8.652 -0.906 -9.832 465 H ILE 57 H ILE 57 -8.227 -5.040 -2.734 466 HA ILE 57 HA ILE 57 -7.440 -7.653 -3.381 467 HB ILE 57 HB ILE 57 -7.582 -6.475 -0.599 468 1HG1 ILE 57 2HG1 ILE 57 -5.014 -6.587 -2.078 469 2HG1 ILE 57 1HG1 ILE 57 -6.171 -5.385 -2.639 470 1HG2 ILE 57 1HG2 ILE 57 -6.473 -8.962 -1.740 471 2HG2 ILE 57 2HG2 ILE 57 -7.103 -8.634 -0.126 472 3HG2 ILE 57 3HG2 ILE 57 -5.471 -8.124 -0.554 473 1HD1 ILE 57 1HD1 ILE 57 -6.090 -5.184 0.167 474 2HD1 ILE 57 2HD1 ILE 57 -5.487 -4.036 -1.028 475 3HD1 ILE 57 3HD1 ILE 57 -4.423 -5.291 -0.393 476 H LYS 58 H LYS 58 -10.121 -6.464 -1.396 477 HA LYS 58 HA LYS 58 -10.968 -8.915 -0.340 478 1HB LYS 58 2HB LYS 58 -11.731 -6.542 0.258 479 2HB LYS 58 1HB LYS 58 -12.845 -6.684 -1.095 480 1HG LYS 58 2HG LYS 58 -14.081 -8.366 -0.060 481 2HG LYS 58 1HG LYS 58 -12.791 -8.739 1.086 482 1HD LYS 58 2HD LYS 58 -13.997 -7.491 2.515 483 2HD LYS 58 1HD LYS 58 -13.287 -6.122 1.660 484 1HE LYS 58 2HE LYS 58 -15.372 -6.602 0.051 485 2HE LYS 58 1HE LYS 58 -16.040 -7.210 1.565 486 1HZ LYS 58 1HZ LYS 58 -15.299 -5.001 2.538 487 2HZ LYS 58 2HZ LYS 58 -16.627 -4.964 1.493 488 3HZ LYS 58 3HZ LYS 58 -15.106 -4.474 0.941 489 H ASN 59 H ASN 59 -11.349 -7.563 -3.533 490 HA ASN 59 HA ASN 59 -13.325 -9.593 -4.271 491 1HB ASN 59 2HB ASN 59 -12.367 -7.033 -5.479 492 2HB ASN 59 1HB ASN 59 -13.027 -8.266 -6.547 493 1HD2 ASN 59 1HD2 ASN 59 -13.763 -5.673 -4.579 494 2HD2 ASN 59 2HD2 ASN 59 -15.468 -5.915 -4.450 495 H ASN 60 H ASN 60 -10.360 -10.067 -3.716 496 HA ASN 60 HA ASN 60 -8.683 -11.367 -4.484 497 1HB ASN 60 2HB ASN 60 -11.082 -12.470 -5.578 498 2HB ASN 60 1HB ASN 60 -9.800 -12.621 -6.775 499 1HD2 ASN 60 1HD2 ASN 60 -10.123 -12.935 -3.250 500 2HD2 ASN 60 2HD2 ASN 60 -9.277 -14.434 -3.137 501 H ASP 61 H ASP 61 -9.242 -8.658 -5.701 502 HA ASP 61 HA ASP 61 -8.288 -8.796 -8.403 503 1HB ASP 61 2HB ASP 61 -9.597 -6.887 -6.972 504 2HB ASP 61 1HB ASP 61 -7.951 -6.266 -6.910 505 H TYR 62 H TYR 62 -6.895 -8.237 -5.228 506 HA TYR 62 HA TYR 62 -4.205 -8.319 -6.422 507 1HB TYR 62 2HB TYR 62 -5.142 -6.824 -3.963 508 2HB TYR 62 1HB TYR 62 -3.454 -6.993 -4.435 509 HD1 TYR 62 1HD TYR 62 -3.053 -6.309 -7.029 510 HD2 TYR 62 2HD TYR 62 -6.161 -4.843 -4.518 511 HE1 TYR 62 1HE TYR 62 -3.264 -4.320 -8.458 512 HE2 TYR 62 2HE TYR 62 -6.378 -2.852 -5.941 513 HH TYR 62 HH TYR 62 -5.729 -2.461 -8.659 514 H GLN 63 H GLN 63 -3.487 -10.327 -6.113 515 HA GLN 63 HA GLN 63 -3.443 -11.390 -3.398 516 1HB GLN 63 2HB GLN 63 -4.202 -13.563 -4.057 517 2HB GLN 63 1HB GLN 63 -5.383 -12.395 -4.634 518 1HG GLN 63 2HG GLN 63 -4.694 -12.632 -6.861 519 2HG GLN 63 1HG GLN 63 -3.193 -13.431 -6.397 520 1HE2 GLN 63 1HE2 GLN 63 -6.085 -13.972 -7.762 521 2HE2 GLN 63 2HE2 GLN 63 -6.318 -15.631 -7.346 522 H SER 64 H SER 64 -1.627 -10.209 -5.549 523 HA SER 64 HA SER 64 0.443 -12.282 -5.408 524 1HB SER 64 2HB SER 64 0.626 -10.315 -7.619 525 2HB SER 64 1HB SER 64 0.989 -12.039 -7.614 526 HG SER 64 HG SER 64 -1.268 -12.430 -7.710 527 H ILE 65 H ILE 65 2.274 -11.638 -4.506 528 HA ILE 65 HA ILE 65 2.525 -9.305 -3.061 529 HB ILE 65 HB ILE 65 5.033 -9.795 -3.127 530 1HG1 ILE 65 2HG1 ILE 65 4.146 -12.406 -4.338 531 2HG1 ILE 65 1HG1 ILE 65 4.822 -11.104 -5.312 532 1HG2 ILE 65 1HG2 ILE 65 3.446 -10.484 -1.347 533 2HG2 ILE 65 2HG2 ILE 65 4.817 -11.578 -1.546 534 3HG2 ILE 65 3HG2 ILE 65 3.236 -12.018 -2.194 535 1HD1 ILE 65 1HD1 ILE 65 6.905 -11.238 -4.176 536 2HD1 ILE 65 2HD1 ILE 65 6.440 -12.875 -4.638 537 3HD1 ILE 65 3HD1 ILE 65 6.240 -12.340 -2.970 538 H GLU 66 H GLU 66 3.524 -9.980 -6.379 539 HA GLU 66 HA GLU 66 4.964 -7.552 -6.756 540 1HB GLU 66 2HB GLU 66 3.935 -9.731 -8.508 541 2HB GLU 66 1HB GLU 66 4.323 -8.193 -9.267 542 1HG GLU 66 2HG GLU 66 6.303 -9.332 -9.475 543 2HG GLU 66 1HG GLU 66 6.568 -8.420 -7.990 544 H GLU 67 H GLU 67 1.619 -8.550 -7.367 545 HA GLU 67 HA GLU 67 0.838 -6.174 -8.709 546 1HB GLU 67 2HB GLU 67 -0.596 -8.470 -7.436 547 2HB GLU 67 1HB GLU 67 -1.510 -7.045 -7.913 548 1HG GLU 67 2HG GLU 67 0.320 -8.373 -9.865 549 2HG GLU 67 1HG GLU 67 -1.277 -9.046 -9.545 550 H LEU 68 H LEU 68 0.418 -7.274 -5.345 551 HA LEU 68 HA LEU 68 -0.904 -4.906 -4.496 552 1HB LEU 68 2HB LEU 68 -0.479 -5.729 -2.205 553 2HB LEU 68 1HB LEU 68 -1.236 -6.917 -3.247 554 HG LEU 68 HG LEU 68 1.358 -7.612 -3.564 555 1HD1 LEU 68 1HD1 LEU 68 2.547 -6.358 -2.105 556 2HD1 LEU 68 2HD1 LEU 68 2.046 -7.626 -0.989 557 3HD1 LEU 68 3HD1 LEU 68 1.170 -6.096 -1.033 558 1HD2 LEU 68 1HD2 LEU 68 0.311 -8.805 -1.144 559 2HD2 LEU 68 2HD2 LEU 68 0.581 -9.524 -2.730 560 3HD2 LEU 68 3HD2 LEU 68 -0.924 -8.672 -2.395 561 H LYS 69 H LYS 69 2.477 -5.959 -4.387 562 HA LYS 69 HA LYS 69 3.409 -3.766 -2.854 563 1HB LYS 69 2HB LYS 69 4.634 -5.923 -3.170 564 2HB LYS 69 1HB LYS 69 4.992 -5.430 -4.819 565 1HG LYS 69 2HG LYS 69 6.565 -3.932 -4.177 566 2HG LYS 69 1HG LYS 69 5.740 -3.541 -2.667 567 1HD LYS 69 2HD LYS 69 7.333 -4.771 -1.684 568 2HD LYS 69 1HD LYS 69 6.440 -6.165 -2.294 569 1HE LYS 69 2HE LYS 69 7.843 -5.857 -4.430 570 2HE LYS 69 1HE LYS 69 8.884 -4.845 -3.429 571 1HZ LYS 69 1HZ LYS 69 9.890 -6.801 -3.028 572 2HZ LYS 69 2HZ LYS 69 8.528 -7.727 -3.415 573 3HZ LYS 69 3HZ LYS 69 8.656 -7.007 -1.889 574 H ASP 70 H ASP 70 3.199 -4.340 -6.352 575 HA ASP 70 HA ASP 70 4.549 -2.032 -7.197 576 1HB ASP 70 2HB ASP 70 2.630 -3.933 -8.431 577 2HB ASP 70 1HB ASP 70 2.798 -2.367 -9.215 578 H ASN 71 H ASN 71 1.103 -2.566 -6.509 579 HA ASN 71 HA ASN 71 0.265 0.034 -7.258 580 1HB ASN 71 2HB ASN 71 -0.940 -2.220 -5.709 581 2HB ASN 71 1HB ASN 71 -1.715 -0.638 -5.647 582 1HD2 ASN 71 1HD2 ASN 71 -3.086 -0.142 -7.205 583 2HD2 ASN 71 2HD2 ASN 71 -3.252 -0.976 -8.707 584 H PHE 72 H PHE 72 0.958 -1.395 -4.060 585 HA PHE 72 HA PHE 72 0.418 0.920 -2.553 586 1HB PHE 72 2HB PHE 72 0.560 -1.264 -1.496 587 2HB PHE 72 1HB PHE 72 2.251 -1.416 -1.955 588 HD1 PHE 72 2HD PHE 72 -0.109 0.430 0.208 589 HD2 PHE 72 1HD PHE 72 3.967 -0.474 -0.630 590 HE1 PHE 72 2HE PHE 72 0.556 1.458 2.344 591 HE2 PHE 72 1HE PHE 72 4.635 0.551 1.505 592 HZ PHE 72 HZ PHE 72 2.931 1.519 2.994 593 H LYS 73 H LYS 73 3.498 -0.370 -3.785 594 HA LYS 73 HA LYS 73 5.132 1.698 -2.813 595 1HB LYS 73 2HB LYS 73 5.753 -0.620 -3.823 596 2HB LYS 73 1HB LYS 73 5.754 0.234 -5.358 597 1HG LYS 73 2HG LYS 73 7.506 1.681 -4.638 598 2HG LYS 73 1HG LYS 73 7.397 1.078 -2.982 599 1HD LYS 73 2HD LYS 73 7.994 -1.199 -3.915 600 2HD LYS 73 1HD LYS 73 8.377 -0.378 -5.430 601 1HE LYS 73 2HE LYS 73 10.080 0.925 -4.366 602 2HE LYS 73 1HE LYS 73 9.607 0.333 -2.773 603 1HZ LYS 73 1HZ LYS 73 11.190 -0.967 -4.845 604 2HZ LYS 73 2HZ LYS 73 10.136 -1.961 -3.974 605 3HZ LYS 73 3HZ LYS 73 11.318 -1.066 -3.161 606 H LEU 74 H LEU 74 3.263 1.393 -5.796 607 HA LEU 74 HA LEU 74 4.383 3.537 -7.210 608 1HB LEU 74 2HB LEU 74 1.934 1.934 -7.370 609 2HB LEU 74 1HB LEU 74 1.747 3.567 -7.980 610 HG LEU 74 HG LEU 74 4.074 1.952 -8.922 611 1HD1 LEU 74 1HD1 LEU 74 1.680 0.756 -9.041 612 2HD1 LEU 74 2HD1 LEU 74 2.908 0.588 -10.293 613 3HD1 LEU 74 3HD1 LEU 74 1.589 1.739 -10.503 614 1HD2 LEU 74 1HD2 LEU 74 3.681 4.390 -9.471 615 2HD2 LEU 74 2HD2 LEU 74 2.290 3.859 -10.415 616 3HD2 LEU 74 3HD2 LEU 74 3.908 3.312 -10.849 617 H MET 75 H MET 75 1.632 3.477 -4.935 618 HA MET 75 HA MET 75 0.997 6.220 -5.216 619 1HB MET 75 2HB MET 75 -0.322 4.233 -4.077 620 2HB MET 75 1HB MET 75 0.486 4.821 -2.632 621 1HG MET 75 2HG MET 75 -0.944 6.775 -4.372 622 2HG MET 75 1HG MET 75 -1.881 5.713 -3.321 623 1HE MET 75 1HE MET 75 0.734 5.766 -0.815 624 2HE MET 75 2HE MET 75 -0.954 5.260 -0.872 625 3HE MET 75 3HE MET 75 -0.462 6.574 0.195 626 H CYS 76 H CYS 76 3.140 4.490 -2.981 627 HA CYS 76 HA CYS 76 3.744 6.613 -1.265 628 1HB CYS 76 2HB CYS 76 5.092 4.066 -2.020 629 2HB CYS 76 1HB CYS 76 6.054 5.277 -1.181 630 HG CYS 76 HG CYS 76 3.691 3.709 0.036 631 H THR 77 H THR 77 5.417 5.539 -4.225 632 HA THR 77 HA THR 77 7.301 7.686 -4.195 633 HB THR 77 HB THR 77 6.593 6.253 -6.724 634 HG1 THR 77 1HG THR 77 6.708 4.467 -5.569 635 1HG2 THR 77 1HG2 THR 77 9.328 6.628 -5.589 636 2HG2 THR 77 2HG2 THR 77 8.507 7.949 -6.422 637 3HG2 THR 77 3HG2 THR 77 8.827 6.437 -7.270 638 H ASN 78 H ASN 78 4.177 7.133 -5.735 639 HA ASN 78 HA ASN 78 4.158 9.313 -7.496 640 1HB ASN 78 2HB ASN 78 2.002 7.721 -6.135 641 2HB ASN 78 1HB ASN 78 1.596 9.112 -7.124 642 1HD2 ASN 78 1HD2 ASN 78 0.481 7.016 -8.010 643 2HD2 ASN 78 2HD2 ASN 78 1.275 6.289 -9.350 644 H ALA 79 H ALA 79 3.104 9.023 -4.119 645 HA ALA 79 HA ALA 79 2.120 11.676 -3.892 646 1HB ALA 79 1HB ALA 79 2.067 11.264 -1.502 647 2HB ALA 79 2HB ALA 79 3.087 9.839 -1.700 648 3HB ALA 79 3HB ALA 79 1.456 9.857 -2.370 649 H MET 80 H MET 80 5.251 10.171 -3.277 650 HA MET 80 HA MET 80 6.446 12.440 -2.049 651 1HB MET 80 2HB MET 80 7.281 9.772 -2.908 652 2HB MET 80 1HB MET 80 8.533 10.986 -3.137 653 1HG MET 80 2HG MET 80 8.383 11.613 -0.797 654 2HG MET 80 1HG MET 80 7.087 10.443 -0.556 655 1HE MET 80 1HE MET 80 11.290 9.073 -1.868 656 2HE MET 80 2HE MET 80 10.741 10.747 -1.956 657 3HE MET 80 3HE MET 80 10.010 9.524 -2.994 658 H ILE 81 H ILE 81 6.310 11.282 -5.405 659 HA ILE 81 HA ILE 81 8.186 13.174 -6.384 660 HB ILE 81 HB ILE 81 7.686 11.132 -7.635 661 1HG1 ILE 81 2HG1 ILE 81 7.312 12.284 -9.906 662 2HG1 ILE 81 1HG1 ILE 81 7.224 13.783 -8.989 663 1HG2 ILE 81 1HG2 ILE 81 5.022 12.395 -8.255 664 2HG2 ILE 81 2HG2 ILE 81 5.284 11.005 -7.204 665 3HG2 ILE 81 3HG2 ILE 81 5.647 10.888 -8.924 666 1HD1 ILE 81 1HD1 ILE 81 9.494 12.646 -10.012 667 2HD1 ILE 81 2HD1 ILE 81 9.550 12.177 -8.312 668 3HD1 ILE 81 3HD1 ILE 81 9.433 13.881 -8.755 669 H TYR 82 H TYR 82 4.595 13.175 -6.351 670 HA TYR 82 HA TYR 82 4.393 15.698 -7.640 671 1HB TYR 82 2HB TYR 82 2.499 14.099 -7.535 672 2HB TYR 82 1HB TYR 82 2.372 14.388 -5.802 673 HD1 TYR 82 2HD TYR 82 2.754 16.626 -8.777 674 HD2 TYR 82 1HD TYR 82 0.492 15.640 -5.312 675 HE1 TYR 82 2HE TYR 82 1.279 18.543 -9.202 676 HE2 TYR 82 1HE TYR 82 -0.988 17.557 -5.726 677 HH TYR 82 HH TYR 82 -1.004 19.280 -8.653 678 H ASN 83 H ASN 83 5.031 14.762 -4.354 679 HA ASN 83 HA ASN 83 4.641 17.513 -3.446 680 1HB ASN 83 2HB ASN 83 3.765 15.234 -2.290 681 2HB ASN 83 1HB ASN 83 5.334 15.371 -1.502 682 1HD2 ASN 83 1HD2 ASN 83 5.232 16.375 0.381 683 2HD2 ASN 83 2HD2 ASN 83 4.147 17.654 0.796 684 H LYS 84 H LYS 84 6.483 16.933 -1.172 685 HA LYS 84 HA LYS 84 9.089 16.373 -1.996 686 1HB LYS 84 2HB LYS 84 8.140 19.096 -2.586 687 2HB LYS 84 1HB LYS 84 9.641 19.047 -1.676 688 1HG LYS 84 2HG LYS 84 9.952 17.163 -3.716 689 2HG LYS 84 1HG LYS 84 9.172 18.554 -4.469 690 1HD LYS 84 2HD LYS 84 11.719 18.594 -2.849 691 2HD LYS 84 1HD LYS 84 11.596 18.750 -4.601 692 1HE LYS 84 2HE LYS 84 11.299 20.940 -4.408 693 2HE LYS 84 1HE LYS 84 9.878 20.679 -3.397 694 1HZ LYS 84 1HZ LYS 84 11.641 22.038 -2.341 695 2HZ LYS 84 2HZ LYS 84 12.663 20.691 -2.366 696 3HZ LYS 84 3HZ LYS 84 11.238 20.653 -1.455 697 HA PRO 85 HA PRO 85 9.959 16.789 2.327 698 1HB PRO 85 2HB PRO 85 12.264 18.589 1.931 699 2HB PRO 85 1HB PRO 85 12.224 16.944 2.574 700 1HG PRO 85 2HG PRO 85 13.246 17.481 0.156 701 2HG PRO 85 1HG PRO 85 12.354 15.980 0.475 702 1HD PRO 85 2HD PRO 85 11.426 18.486 -0.884 703 2HD PRO 85 1HD PRO 85 11.133 16.791 -1.328 704 H GLU 86 H GLU 86 7.954 18.221 2.297 705 HA GLU 86 HA GLU 86 8.441 21.048 2.759 706 1HB GLU 86 2HB GLU 86 5.922 19.387 2.685 707 2HB GLU 86 1HB GLU 86 5.930 21.100 3.074 708 1HG GLU 86 2HG GLU 86 6.914 21.573 0.871 709 2HG GLU 86 1HG GLU 86 6.839 19.855 0.488 710 H THR 87 H THR 87 6.437 18.721 4.568 711 HA THR 87 HA THR 87 7.695 19.642 7.056 712 HB THR 87 HB THR 87 5.445 19.675 8.136 713 HG1 THR 87 1HG THR 87 4.566 19.318 5.465 714 1HG2 THR 87 1HG2 THR 87 5.289 21.557 5.831 715 2HG2 THR 87 2HG2 THR 87 6.557 21.732 7.043 716 3HG2 THR 87 3HG2 THR 87 4.863 21.813 7.524 717 H ILE 88 H ILE 88 4.892 17.535 6.599 718 HA ILE 88 HA ILE 88 6.514 15.273 7.571 719 HB ILE 88 HB ILE 88 3.574 15.677 8.131 720 1HG1 ILE 88 2HG1 ILE 88 5.434 15.841 10.396 721 2HG1 ILE 88 1HG1 ILE 88 5.608 17.164 9.251 722 1HG2 ILE 88 1HG2 ILE 88 4.418 13.978 10.015 723 2HG2 ILE 88 2HG2 ILE 88 5.557 13.568 8.734 724 3HG2 ILE 88 3HG2 ILE 88 3.822 13.449 8.442 725 1HD1 ILE 88 1HD1 ILE 88 3.743 18.136 9.958 726 2HD1 ILE 88 2HD1 ILE 88 3.801 17.014 11.317 727 3HD1 ILE 88 3HD1 ILE 88 2.833 16.626 9.894 728 H TYR 89 H TYR 89 4.758 16.430 4.955 729 HA TYR 89 HA TYR 89 3.338 14.161 4.094 730 1HB TYR 89 2HB TYR 89 4.499 16.533 2.651 731 2HB TYR 89 1HB TYR 89 3.706 15.233 1.770 732 HD1 TYR 89 2HD TYR 89 3.091 17.562 4.631 733 HD2 TYR 89 1HD TYR 89 1.433 15.375 1.380 734 HE1 TYR 89 2HE TYR 89 0.910 18.619 5.041 735 HE2 TYR 89 1HE TYR 89 -0.751 16.428 1.780 736 HH TYR 89 HH TYR 89 -1.241 19.098 3.379 737 H TYR 90 H TYR 90 6.645 15.258 3.362 738 HA TYR 90 HA TYR 90 7.297 13.118 1.632 739 1HB TYR 90 2HB TYR 90 8.593 15.211 1.700 740 2HB TYR 90 1HB TYR 90 9.139 14.823 3.327 741 HD1 TYR 90 1HD TYR 90 9.349 13.796 -0.222 742 HD2 TYR 90 2HD TYR 90 10.977 13.360 3.685 743 HE1 TYR 90 1HE TYR 90 11.272 12.587 -1.163 744 HE2 TYR 90 2HE TYR 90 12.904 12.151 2.755 745 HH TYR 90 HH TYR 90 12.972 10.920 -0.369 746 H LYS 91 H LYS 91 7.829 13.608 5.111 747 HA LYS 91 HA LYS 91 9.188 11.157 5.538 748 1HB LYS 91 2HB LYS 91 7.954 13.241 7.259 749 2HB LYS 91 1HB LYS 91 8.214 11.660 7.980 750 1HG LYS 91 2HG LYS 91 10.620 11.943 6.976 751 2HG LYS 91 1HG LYS 91 10.198 13.657 7.025 752 1HD LYS 91 2HD LYS 91 9.796 11.905 9.425 753 2HD LYS 91 1HD LYS 91 11.378 12.600 9.069 754 1HE LYS 91 2HE LYS 91 8.962 14.359 9.100 755 2HE LYS 91 1HE LYS 91 9.694 13.863 10.625 756 1HZ LYS 91 1HZ LYS 91 10.712 15.666 8.574 757 2HZ LYS 91 2HZ LYS 91 11.853 14.676 9.333 758 3HZ LYS 91 3HZ LYS 91 10.896 15.723 10.254 759 H ALA 92 H ALA 92 5.784 12.076 5.626 760 HA ALA 92 HA ALA 92 4.770 9.766 6.865 761 1HB ALA 92 1HB ALA 92 3.161 11.376 6.785 762 2HB ALA 92 2HB ALA 92 2.684 10.447 5.364 763 3HB ALA 92 3HB ALA 92 3.629 11.924 5.175 764 H ALA 93 H ALA 93 5.260 10.533 3.425 765 HA ALA 93 HA ALA 93 4.231 8.062 2.461 766 1HB ALA 93 1HB ALA 93 6.029 10.088 1.135 767 2HB ALA 93 2HB ALA 93 4.271 10.004 1.030 768 3HB ALA 93 3HB ALA 93 5.260 8.731 0.313 769 H LYS 94 H LYS 94 7.527 9.236 3.098 770 HA LYS 94 HA LYS 94 8.843 6.916 2.136 771 1HB LYS 94 2HB LYS 94 9.784 9.286 2.589 772 2HB LYS 94 1HB LYS 94 9.997 8.722 4.241 773 1HG LYS 94 2HG LYS 94 11.853 7.638 3.705 774 2HG LYS 94 1HG LYS 94 11.054 6.806 2.369 775 1HD LYS 94 2HD LYS 94 11.745 8.336 0.824 776 2HD LYS 94 1HD LYS 94 11.756 9.664 1.984 777 1HE LYS 94 2HE LYS 94 13.996 9.422 1.803 778 2HE LYS 94 1HE LYS 94 13.730 8.164 3.007 779 1HZ LYS 94 1HZ LYS 94 13.975 6.500 1.452 780 2HZ LYS 94 2HZ LYS 94 15.101 7.636 0.901 781 3HZ LYS 94 3HZ LYS 94 13.596 7.499 0.139 782 H LYS 95 H LYS 95 7.984 7.960 5.436 783 HA LYS 95 HA LYS 95 9.087 5.767 6.794 784 1HB LYS 95 2HB LYS 95 8.176 7.988 7.739 785 2HB LYS 95 1HB LYS 95 6.606 7.197 7.725 786 1HG LYS 95 2HG LYS 95 7.325 6.829 9.880 787 2HG LYS 95 1HG LYS 95 7.810 5.337 9.072 788 1HD LYS 95 2HD LYS 95 9.904 5.699 9.730 789 2HD LYS 95 1HD LYS 95 9.934 7.167 8.752 790 1HE LYS 95 2HE LYS 95 10.254 8.259 10.673 791 2HE LYS 95 1HE LYS 95 8.547 7.952 10.992 792 1HZ LYS 95 1HZ LYS 95 9.471 7.096 12.870 793 2HZ LYS 95 2HZ LYS 95 10.912 6.640 12.113 794 3HZ LYS 95 3HZ LYS 95 9.518 5.704 11.908 795 H LEU 96 H LEU 96 5.794 6.302 5.564 796 HA LEU 96 HA LEU 96 4.697 3.875 6.475 797 1HB LEU 96 2HB LEU 96 3.603 6.037 5.442 798 2HB LEU 96 1HB LEU 96 3.750 5.142 3.942 799 HG LEU 96 HG LEU 96 2.442 3.286 5.013 800 1HD1 LEU 96 1HD1 LEU 96 1.546 3.433 7.096 801 2HD1 LEU 96 2HD1 LEU 96 1.447 5.193 7.052 802 3HD1 LEU 96 3HD1 LEU 96 2.993 4.404 7.363 803 1HD2 LEU 96 1HD2 LEU 96 1.574 5.330 3.605 804 2HD2 LEU 96 2HD2 LEU 96 0.775 5.748 5.120 805 3HD2 LEU 96 3HD2 LEU 96 0.451 4.195 4.352 806 H LEU 97 H LEU 97 6.424 4.723 3.514 807 HA LEU 97 HA LEU 97 5.922 2.410 2.024 808 1HB LEU 97 2HB LEU 97 7.140 4.601 1.364 809 2HB LEU 97 1HB LEU 97 8.580 3.812 1.976 810 HG LEU 97 HG LEU 97 6.871 2.516 -0.131 811 1HD1 LEU 97 1HD1 LEU 97 7.934 4.958 -0.560 812 2HD1 LEU 97 2HD1 LEU 97 7.746 3.731 -1.811 813 3HD1 LEU 97 3HD1 LEU 97 9.299 3.933 -1.002 814 1HD2 LEU 97 1HD2 LEU 97 9.532 2.068 1.093 815 2HD2 LEU 97 2HD2 LEU 97 9.378 1.750 -0.635 816 3HD2 LEU 97 3HD2 LEU 97 8.338 0.908 0.513 817 H HIS 98 H HIS 98 8.490 3.119 4.378 818 HA HIS 98 HA HIS 98 9.849 0.658 4.132 819 1HB HIS 98 2HB HIS 98 9.737 2.748 6.296 820 2HB HIS 98 1HB HIS 98 10.647 1.259 6.522 821 HD1 HIS 98 1HD HIS 98 11.738 1.136 3.542 822 HD2 HIS 98 2HD HIS 98 11.938 4.410 6.095 823 HE1 HIS 98 1HE HIS 98 13.656 2.527 2.702 824 HE2 HIS 98 2HE HIS 98 13.770 4.496 4.271 825 H SER 99 H SER 99 7.150 1.702 6.153 826 HA SER 99 HA SER 99 7.029 -0.570 7.820 827 1HB SER 99 2HB SER 99 4.664 1.111 6.954 828 2HB SER 99 1HB SER 99 4.826 0.171 8.436 829 HG SER 99 HG SER 99 6.588 1.616 8.978 830 H GLY 100 H GLY 100 5.437 0.207 4.742 831 1HA GLY 100 2HA GLY 100 3.857 -2.109 4.545 832 2HA GLY 100 1HA GLY 100 4.377 -1.112 3.195 833 H MET 101 H MET 101 7.229 -1.535 3.703 834 HA MET 101 HA MET 101 7.556 -3.915 2.178 835 1HB MET 101 2HB MET 101 9.240 -1.729 3.112 836 2HB MET 101 1HB MET 101 10.068 -3.275 3.201 837 1HG MET 101 2HG MET 101 8.917 -3.380 0.726 838 2HG MET 101 1HG MET 101 9.320 -1.672 0.883 839 1HE MET 101 1HE MET 101 10.134 -5.106 0.531 840 2HE MET 101 2HE MET 101 11.787 -5.346 1.096 841 3HE MET 101 3HE MET 101 11.483 -4.930 -0.590 842 H LYS 102 H LYS 102 8.207 -3.093 5.581 843 HA LYS 102 HA LYS 102 9.297 -5.643 6.208 844 1HB LYS 102 2HB LYS 102 9.104 -4.957 8.558 845 2HB LYS 102 1HB LYS 102 9.866 -3.721 7.570 846 1HG LYS 102 2HG LYS 102 7.996 -2.324 7.673 847 2HG LYS 102 1HG LYS 102 6.941 -3.629 8.218 848 1HD LYS 102 2HD LYS 102 7.545 -3.392 10.372 849 2HD LYS 102 1HD LYS 102 9.237 -3.095 9.967 850 1HE LYS 102 2HE LYS 102 8.611 -0.797 9.272 851 2HE LYS 102 1HE LYS 102 6.967 -1.114 9.823 852 1HZ LYS 102 1HZ LYS 102 9.383 -0.623 11.374 853 2HZ LYS 102 2HZ LYS 102 8.312 -1.770 12.003 854 3HZ LYS 102 3HZ LYS 102 7.781 -0.194 11.702 855 H ILE 103 H ILE 103 6.045 -4.240 6.635 856 HA ILE 103 HA ILE 103 4.949 -6.426 8.014 857 HB ILE 103 HB ILE 103 2.757 -5.540 7.335 858 1HG1 ILE 103 2HG1 ILE 103 3.102 -3.137 6.179 859 2HG1 ILE 103 1HG1 ILE 103 4.435 -4.012 5.436 860 1HG2 ILE 103 1HG2 ILE 103 4.439 -4.534 9.132 861 2HG2 ILE 103 2HG2 ILE 103 2.833 -3.867 8.851 862 3HG2 ILE 103 3HG2 ILE 103 4.242 -3.112 8.110 863 1HD1 ILE 103 1HD1 ILE 103 2.946 -4.664 3.924 864 2HD1 ILE 103 2HD1 ILE 103 1.584 -4.174 4.931 865 3HD1 ILE 103 3HD1 ILE 103 2.332 -5.754 5.167 866 H LEU 104 H LEU 104 5.348 -5.784 4.569 867 HA LEU 104 HA LEU 104 3.637 -7.716 3.523 868 1HB LEU 104 2HB LEU 104 5.683 -6.016 2.547 869 2HB LEU 104 1HB LEU 104 6.033 -7.630 1.958 870 HG LEU 104 HG LEU 104 3.223 -6.876 1.641 871 1HD1 LEU 104 1HD1 LEU 104 3.603 -5.322 -0.206 872 2HD1 LEU 104 2HD1 LEU 104 5.330 -5.321 0.147 873 3HD1 LEU 104 3HD1 LEU 104 4.190 -4.667 1.324 874 1HD2 LEU 104 1HD2 LEU 104 4.112 -7.504 -0.810 875 2HD2 LEU 104 2HD2 LEU 104 3.675 -8.710 0.400 876 3HD2 LEU 104 3HD2 LEU 104 5.367 -8.273 0.163 877 H SER 105 H SER 105 6.824 -8.062 4.951 878 HA SER 105 HA SER 105 7.283 -10.738 4.076 879 1HB SER 105 2HB SER 105 8.497 -9.587 6.575 880 2HB SER 105 1HB SER 105 9.209 -10.698 5.404 881 HG SER 105 HG SER 105 9.349 -8.037 5.469 882 H GLN 106 H GLN 106 5.359 -9.360 6.592 883 HA GLN 106 HA GLN 106 5.298 -11.771 8.195 884 1HB GLN 106 2HB GLN 106 4.072 -9.049 8.410 885 2HB GLN 106 1HB GLN 106 3.402 -10.373 9.354 886 1HG GLN 106 2HG GLN 106 4.929 -9.336 10.779 887 2HG GLN 106 1HG GLN 106 5.772 -10.767 10.189 888 1HE2 GLN 106 1HE2 GLN 106 5.590 -7.296 10.084 889 2HE2 GLN 106 2HE2 GLN 106 7.116 -7.038 9.315 890 H GLU 107 H GLU 107 4.054 -11.299 5.285 891 HA GLU 107 HA GLU 107 1.313 -11.713 5.409 892 1HB GLU 107 2HB GLU 107 2.839 -11.347 3.359 893 2HB GLU 107 1HB GLU 107 3.050 -13.092 3.376 894 1HG GLU 107 2HG GLU 107 0.268 -12.141 3.483 895 2HG GLU 107 1HG GLU 107 1.137 -11.816 1.986 896 H ARG 108 H ARG 108 3.959 -13.974 5.871 897 HA ARG 108 HA ARG 108 2.005 -16.085 6.519 898 1HB ARG 108 2HB ARG 108 4.858 -16.573 5.658 899 2HB ARG 108 1HB ARG 108 3.550 -17.744 5.777 900 1HG ARG 108 2HG ARG 108 3.144 -17.440 3.621 901 2HG ARG 108 1HG ARG 108 2.668 -15.779 3.977 902 1HD ARG 108 2HD ARG 108 4.400 -15.063 2.788 903 2HD ARG 108 1HD ARG 108 5.484 -15.814 3.958 904 HE ARG 108 HE ARG 108 5.981 -17.376 2.384 905 1HH1 ARG 108 1HH1 ARG 108 2.852 -16.015 1.580 906 2HH1 ARG 108 2HH1 ARG 108 2.694 -16.931 0.119 907 1HH2 ARG 108 1HH2 ARG 108 5.764 -18.578 0.455 908 2HH2 ARG 108 2HH2 ARG 108 4.345 -18.385 -0.521 909 H LEU 109 H LEU 109 3.613 -17.859 7.834 910 HA LEU 109 HA LEU 109 4.640 -18.355 9.798 911 1HB LEU 109 2HB LEU 109 6.098 -16.254 8.914 912 2HB LEU 109 1HB LEU 109 5.482 -15.589 10.413 913 HG LEU 109 HG LEU 109 7.716 -16.606 10.663 914 1HD1 LEU 109 1HD1 LEU 109 6.944 -18.297 12.516 915 2HD1 LEU 109 2HD1 LEU 109 5.360 -17.605 12.178 916 3HD1 LEU 109 3HD1 LEU 109 6.683 -16.564 12.700 917 1HD2 LEU 109 1HD2 LEU 109 8.239 -18.726 10.088 918 2HD2 LEU 109 2HD2 LEU 109 6.898 -18.515 8.963 919 3HD2 LEU 109 3HD2 LEU 109 6.640 -19.349 10.496 920 H GLU 110 H GLU 110 3.312 -18.843 11.392 921 HA GLU 110 HA GLU 110 1.936 -18.682 13.190 922 1HB GLU 110 2HB GLU 110 3.519 -16.460 13.444 923 2HB GLU 110 1HB GLU 110 1.908 -15.755 13.427 924 1HG GLU 110 2HG GLU 110 1.458 -17.703 15.175 925 2HG GLU 110 1HG GLU 110 3.191 -17.525 15.427 926 H HIS 111 H HIS 111 -0.134 -19.097 12.860 927 HA HIS 111 HA HIS 111 -1.743 -17.130 11.375 928 1HB HIS 111 2HB HIS 111 -3.048 -18.955 10.428 929 2HB HIS 111 1HB HIS 111 -1.345 -19.163 10.041 930 HD1 HIS 111 1HD HIS 111 -2.664 -21.662 9.683 931 HD2 HIS 111 2HD HIS 111 -1.612 -20.446 13.514 932 HE1 HIS 111 1HE HIS 111 -2.608 -23.763 11.063 933 HE2 HIS 111 2HE HIS 111 -1.864 -23.013 13.351 934 H HIS 112 H HIS 112 -4.228 -17.856 11.722 935 HA HIS 112 HA HIS 112 -4.799 -18.597 14.460 936 1HB HIS 112 2HB HIS 112 -6.004 -16.517 14.985 937 2HB HIS 112 1HB HIS 112 -4.295 -16.210 14.693 938 HD1 HIS 112 1HD HIS 112 -7.676 -15.354 13.481 939 HD2 HIS 112 2HD HIS 112 -3.747 -14.889 12.208 940 HE1 HIS 112 1HE HIS 112 -7.762 -13.637 11.647 941 HE2 HIS 112 2HE HIS 112 -5.360 -13.290 10.969 942 H HIS 113 H HIS 113 -7.241 -18.453 14.863 943 HA HIS 113 HA HIS 113 -8.677 -19.133 12.380 944 1HB HIS 113 2HB HIS 113 -8.162 -20.850 14.455 945 2HB HIS 113 1HB HIS 113 -9.766 -20.255 14.868 946 HD1 HIS 113 1HD HIS 113 -8.922 -23.192 13.800 947 HD2 HIS 113 2HD HIS 113 -10.844 -20.182 11.676 948 HE1 HIS 113 1HE HIS 113 -10.149 -24.359 11.942 949 HE2 HIS 113 2HE HIS 113 -11.224 -22.508 10.613 950 H HIS 114 H HIS 114 -9.043 -17.840 15.675 951 HA HIS 114 HA HIS 114 -11.675 -16.807 15.146 952 1HB HIS 114 2HB HIS 114 -9.765 -16.559 17.463 953 2HB HIS 114 1HB HIS 114 -11.270 -15.649 17.405 954 HD1 HIS 114 1HD HIS 114 -13.498 -17.189 17.222 955 HD2 HIS 114 2HD HIS 114 -10.009 -19.084 18.444 956 HE1 HIS 114 1HE HIS 114 -14.240 -19.336 18.296 957 HE2 HIS 114 2HE HIS 114 -12.107 -20.509 18.945 958 H HIS 115 H HIS 115 -12.169 -14.462 15.532 959 HA HIS 115 HA HIS 115 -10.035 -12.703 14.527 960 1HB HIS 115 2HB HIS 115 -11.727 -13.391 12.747 961 2HB HIS 115 1HB HIS 115 -12.915 -12.460 13.653 962 HD1 HIS 115 1HD HIS 115 -13.156 -10.885 11.572 963 HD2 HIS 115 2HD HIS 115 -9.396 -10.876 13.339 964 HE1 HIS 115 1HE HIS 115 -11.980 -8.870 10.637 965 HE2 HIS 115 2HE HIS 115 -9.742 -8.833 11.792 966 H HIS 116 H HIS 116 -9.615 -11.357 16.157 967 HA HIS 116 HA HIS 116 -11.796 -9.797 17.292 968 1HB HIS 116 2HB HIS 116 -11.257 -11.896 18.735 969 2HB HIS 116 1HB HIS 116 -9.808 -11.007 19.194 970 HD1 HIS 116 1HD HIS 116 -13.570 -10.799 19.429 971 HD2 HIS 116 2HD HIS 116 -10.185 -9.039 21.080 972 HE1 HIS 116 1HE HIS 116 -14.406 -9.389 21.338 973 HE2 HIS 116 2HE HIS 116 -12.338 -8.356 22.339 Start of MODEL 6 1 1H MET 0 1HT MET 0 1.157 -22.297 -4.011 2 2H MET 0 2HT MET 0 0.872 -23.867 -3.381 3 3H MET 0 3HT MET 0 1.448 -22.619 -2.352 4 HA MET 0 HA MET 0 -0.927 -23.160 -2.128 5 1HB MET 0 2HB MET 0 0.405 -20.587 -2.458 6 2HB MET 0 1HB MET 0 -1.324 -20.472 -2.749 7 1HG MET 0 2HG MET 0 -1.260 -20.081 -0.510 8 2HG MET 0 1HG MET 0 -1.473 -21.830 -0.512 9 1HE MET 0 1HE MET 0 -0.368 -19.321 1.163 10 2HE MET 0 2HE MET 0 1.388 -19.192 1.266 11 3HE MET 0 3HE MET 0 0.516 -20.257 2.369 12 H GLU 1 H GLU 1 -2.319 -24.186 -3.432 13 HA GLU 1 HA GLU 1 -2.622 -23.583 -6.208 14 1HB GLU 1 2HB GLU 1 -3.891 -25.459 -4.269 15 2HB GLU 1 1HB GLU 1 -4.764 -25.105 -5.753 16 1HG GLU 1 2HG GLU 1 -3.485 -27.085 -6.086 17 2HG GLU 1 1HG GLU 1 -2.753 -25.793 -7.034 18 H GLU 2 H GLU 2 -4.986 -23.300 -7.060 19 HA GLU 2 HA GLU 2 -5.841 -20.725 -6.449 20 1HB GLU 2 2HB GLU 2 -6.361 -22.055 -8.536 21 2HB GLU 2 1HB GLU 2 -7.607 -22.880 -7.610 22 1HG GLU 2 2HG GLU 2 -8.739 -20.756 -7.221 23 2HG GLU 2 1HG GLU 2 -7.485 -19.916 -8.130 24 H VAL 3 H VAL 3 -6.780 -23.798 -5.040 25 HA VAL 3 HA VAL 3 -9.127 -22.953 -3.723 26 HB VAL 3 HB VAL 3 -7.214 -25.090 -2.768 27 1HG1 VAL 3 1HG1 VAL 3 -8.671 -24.979 -1.041 28 2HG1 VAL 3 2HG1 VAL 3 -9.659 -25.975 -2.110 29 3HG1 VAL 3 3HG1 VAL 3 -9.941 -24.237 -2.014 30 1HG2 VAL 3 1HG2 VAL 3 -7.927 -26.515 -4.352 31 2HG2 VAL 3 2HG2 VAL 3 -8.386 -25.059 -5.234 32 3HG2 VAL 3 3HG2 VAL 3 -9.586 -25.925 -4.277 33 H GLU 4 H GLU 4 -5.725 -22.646 -2.915 34 HA GLU 4 HA GLU 4 -6.361 -21.623 -0.253 35 1HB GLU 4 2HB GLU 4 -3.796 -22.389 -1.629 36 2HB GLU 4 1HB GLU 4 -3.790 -21.463 -0.134 37 1HG GLU 4 2HG GLU 4 -5.392 -23.955 -0.196 38 2HG GLU 4 1HG GLU 4 -3.634 -24.101 -0.168 39 H GLN 5 H GLN 5 -7.406 -19.943 -2.091 40 HA GLN 5 HA GLN 5 -5.490 -17.798 -2.584 41 1HB GLN 5 2HB GLN 5 -8.287 -18.367 -3.489 42 2HB GLN 5 1HB GLN 5 -7.679 -16.718 -3.555 43 1HG GLN 5 2HG GLN 5 -5.866 -17.410 -4.995 44 2HG GLN 5 1HG GLN 5 -6.377 -19.089 -4.872 45 1HE2 GLN 5 1HE2 GLN 5 -8.948 -19.149 -5.301 46 2HE2 GLN 5 2HE2 GLN 5 -9.383 -18.451 -6.821 47 H THR 6 H THR 6 -8.272 -18.542 -0.574 48 HA THR 6 HA THR 6 -8.865 -16.001 0.390 49 HB THR 6 HB THR 6 -9.074 -18.160 2.385 50 HG1 THR 6 1HG THR 6 -10.420 -19.429 1.230 51 1HG2 THR 6 1HG2 THR 6 -10.481 -16.440 2.899 52 2HG2 THR 6 2HG2 THR 6 -11.567 -17.486 1.985 53 3HG2 THR 6 3HG2 THR 6 -10.840 -16.079 1.210 54 HA PRO 7 HA PRO 7 -5.711 -17.076 4.084 55 1HB PRO 7 2HB PRO 7 -3.763 -18.488 2.319 56 2HB PRO 7 1HB PRO 7 -4.135 -18.754 4.026 57 1HG PRO 7 2HG PRO 7 -5.053 -20.420 2.168 58 2HG PRO 7 1HG PRO 7 -6.059 -19.963 3.555 59 1HD PRO 7 2HD PRO 7 -6.209 -19.053 0.720 60 2HD PRO 7 1HD PRO 7 -7.516 -19.331 1.888 61 H LEU 8 H LEU 8 -4.616 -16.664 0.723 62 HA LEU 8 HA LEU 8 -2.481 -14.901 1.299 63 1HB LEU 8 2HB LEU 8 -4.015 -15.651 -1.148 64 2HB LEU 8 1HB LEU 8 -3.027 -14.202 -1.207 65 HG LEU 8 HG LEU 8 -1.728 -16.672 -0.192 66 1HD1 LEU 8 1HD1 LEU 8 -2.757 -17.719 -2.003 67 2HD1 LEU 8 2HD1 LEU 8 -1.192 -17.216 -2.642 68 3HD1 LEU 8 3HD1 LEU 8 -2.641 -16.283 -3.021 69 1HD2 LEU 8 1HD2 LEU 8 0.181 -15.627 -0.811 70 2HD2 LEU 8 2HD2 LEU 8 -0.835 -14.193 -0.683 71 3HD2 LEU 8 3HD2 LEU 8 -0.539 -14.926 -2.260 72 H GLN 9 H GLN 9 -5.881 -14.349 0.442 73 HA GLN 9 HA GLN 9 -5.758 -11.546 0.245 74 1HB GLN 9 2HB GLN 9 -7.653 -13.036 -0.510 75 2HB GLN 9 1HB GLN 9 -8.146 -13.146 1.173 76 1HG GLN 9 2HG GLN 9 -8.017 -10.481 0.922 77 2HG GLN 9 1HG GLN 9 -8.400 -10.918 -0.742 78 1HE2 GLN 9 1HE2 GLN 9 -10.486 -10.961 -1.181 79 2HE2 GLN 9 2HE2 GLN 9 -11.757 -11.314 -0.066 80 H GLU 10 H GLU 10 -6.314 -13.685 3.016 81 HA GLU 10 HA GLU 10 -7.033 -11.728 4.897 82 1HB GLU 10 2HB GLU 10 -5.528 -14.302 5.401 83 2HB GLU 10 1HB GLU 10 -6.402 -13.361 6.602 84 1HG GLU 10 2HG GLU 10 -8.450 -13.752 5.083 85 2HG GLU 10 1HG GLU 10 -7.474 -15.036 4.371 86 H ALA 11 H ALA 11 -3.851 -13.047 4.027 87 HA ALA 11 HA ALA 11 -2.324 -11.643 5.914 88 1HB ALA 11 1HB ALA 11 -0.482 -12.449 4.822 89 2HB ALA 11 2HB ALA 11 -1.175 -12.183 3.223 90 3HB ALA 11 3HB ALA 11 -1.706 -13.553 4.196 91 H LEU 12 H LEU 12 -3.369 -10.766 2.643 92 HA LEU 12 HA LEU 12 -1.925 -8.334 2.494 93 1HB LEU 12 2HB LEU 12 -3.717 -9.808 0.844 94 2HB LEU 12 1HB LEU 12 -4.317 -8.163 0.950 95 HG LEU 12 HG LEU 12 -1.425 -8.512 0.364 96 1HD1 LEU 12 1HD1 LEU 12 -1.878 -9.973 -1.284 97 2HD1 LEU 12 2HD1 LEU 12 -2.413 -8.530 -2.145 98 3HD1 LEU 12 3HD1 LEU 12 -3.591 -9.558 -1.330 99 1HD2 LEU 12 1HD2 LEU 12 -3.134 -6.384 0.487 100 2HD2 LEU 12 2HD2 LEU 12 -3.084 -6.717 -1.243 101 3HD2 LEU 12 3HD2 LEU 12 -1.589 -6.401 -0.362 102 H ASN 13 H ASN 13 -5.272 -9.082 3.449 103 HA ASN 13 HA ASN 13 -6.122 -6.435 3.879 104 1HB ASN 13 2HB ASN 13 -7.046 -9.023 5.145 105 2HB ASN 13 1HB ASN 13 -7.863 -7.480 5.361 106 1HD2 ASN 13 1HD2 ASN 13 -8.561 -10.120 4.032 107 2HD2 ASN 13 2HD2 ASN 13 -9.152 -9.656 2.479 108 H GLN 14 H GLN 14 -4.453 -8.734 5.973 109 HA GLN 14 HA GLN 14 -4.681 -7.276 8.378 110 1HB GLN 14 2HB GLN 14 -3.558 -9.710 7.582 111 2HB GLN 14 1HB GLN 14 -2.195 -8.770 8.175 112 1HG GLN 14 2HG GLN 14 -3.254 -10.190 9.896 113 2HG GLN 14 1HG GLN 14 -3.237 -8.477 10.305 114 1HE2 GLN 14 1HE2 GLN 14 -5.383 -10.567 8.375 115 2HE2 GLN 14 2HE2 GLN 14 -6.838 -10.092 9.176 116 H LEU 15 H LEU 15 -2.164 -7.332 5.868 117 HA LEU 15 HA LEU 15 -0.356 -5.575 7.086 118 1HB LEU 15 2HB LEU 15 0.298 -6.879 5.175 119 2HB LEU 15 1HB LEU 15 -0.931 -6.128 4.176 120 HG LEU 15 HG LEU 15 1.168 -4.374 5.360 121 1HD1 LEU 15 1HD1 LEU 15 2.712 -5.858 4.572 122 2HD1 LEU 15 2HD1 LEU 15 2.412 -4.928 3.106 123 3HD1 LEU 15 3HD1 LEU 15 1.635 -6.495 3.329 124 1HD2 LEU 15 1HD2 LEU 15 -0.317 -3.125 4.132 125 2HD2 LEU 15 2HD2 LEU 15 -0.606 -4.414 2.964 126 3HD2 LEU 15 3HD2 LEU 15 0.897 -3.493 2.910 127 H MET 16 H MET 16 -3.127 -4.944 4.969 128 HA MET 16 HA MET 16 -2.754 -2.163 4.717 129 1HB MET 16 2HB MET 16 -4.466 -3.959 3.609 130 2HB MET 16 1HB MET 16 -5.541 -3.142 4.733 131 1HG MET 16 2HG MET 16 -5.843 -1.719 3.036 132 2HG MET 16 1HG MET 16 -4.323 -1.020 3.592 133 1HE MET 16 1HE MET 16 -1.835 -3.074 1.227 134 2HE MET 16 2HE MET 16 -2.367 -3.323 2.887 135 3HE MET 16 3HE MET 16 -1.859 -1.720 2.356 136 H ARG 17 H ARG 17 -4.686 -4.072 7.018 137 HA ARG 17 HA ARG 17 -5.838 -1.908 8.386 138 1HB ARG 17 2HB ARG 17 -5.306 -4.772 9.090 139 2HB ARG 17 1HB ARG 17 -5.871 -3.666 10.334 140 1HG ARG 17 2HG ARG 17 -7.910 -3.299 9.251 141 2HG ARG 17 1HG ARG 17 -7.315 -3.952 7.722 142 1HD ARG 17 2HD ARG 17 -6.985 -6.115 9.249 143 2HD ARG 17 1HD ARG 17 -8.303 -5.354 10.140 144 HE ARG 17 HE ARG 17 -8.949 -5.381 7.410 145 1HH1 ARG 17 1HH1 ARG 17 -8.551 -7.610 10.078 146 2HH1 ARG 17 2HH1 ARG 17 -9.682 -8.759 9.448 147 1HH2 ARG 17 1HH2 ARG 17 -10.438 -6.895 6.584 148 2HH2 ARG 17 2HH2 ARG 17 -10.754 -8.354 7.462 149 H GLN 18 H GLN 18 -2.839 -3.718 9.035 150 HA GLN 18 HA GLN 18 -2.145 -2.298 11.377 151 1HB GLN 18 2HB GLN 18 -0.729 -4.109 9.491 152 2HB GLN 18 1HB GLN 18 0.262 -3.101 10.537 153 1HG GLN 18 2HG GLN 18 -0.608 -4.082 12.487 154 2HG GLN 18 1HG GLN 18 -1.947 -4.824 11.610 155 1HE2 GLN 18 1HE2 GLN 18 -1.741 -6.916 11.313 156 2HE2 GLN 18 2HE2 GLN 18 -0.258 -7.787 11.157 157 H LEU 19 H LEU 19 -1.402 -1.772 7.958 158 HA LEU 19 HA LEU 19 0.421 0.366 8.374 159 1HB LEU 19 2HB LEU 19 -0.894 -0.928 6.101 160 2HB LEU 19 1HB LEU 19 -0.639 0.791 5.869 161 HG LEU 19 HG LEU 19 1.622 -0.970 6.759 162 1HD1 LEU 19 1HD1 LEU 19 1.419 -2.139 4.866 163 2HD1 LEU 19 2HD1 LEU 19 2.009 -0.678 4.072 164 3HD1 LEU 19 3HD1 LEU 19 0.276 -0.992 4.165 165 1HD2 LEU 19 1HD2 LEU 19 1.637 1.497 5.040 166 2HD2 LEU 19 2HD2 LEU 19 2.991 0.740 5.876 167 3HD2 LEU 19 3HD2 LEU 19 1.729 1.555 6.800 168 H GLN 20 H GLN 20 -3.070 0.233 7.753 169 HA GLN 20 HA GLN 20 -3.447 3.029 7.511 170 1HB GLN 20 2HB GLN 20 -5.024 0.864 7.072 171 2HB GLN 20 1HB GLN 20 -5.695 1.439 8.591 172 1HG GLN 20 2HG GLN 20 -6.738 3.124 7.596 173 2HG GLN 20 1HG GLN 20 -5.289 3.603 6.717 174 1HE2 GLN 20 1HE2 GLN 20 -8.339 2.927 6.194 175 2HE2 GLN 20 2HE2 GLN 20 -8.258 2.118 4.671 176 H ARG 21 H ARG 21 -3.489 0.827 10.259 177 HA ARG 21 HA ARG 21 -4.509 2.688 12.146 178 1HB ARG 21 2HB ARG 21 -3.097 0.054 12.355 179 2HB ARG 21 1HB ARG 21 -3.398 1.016 13.796 180 1HG ARG 21 2HG ARG 21 -5.802 0.843 12.256 181 2HG ARG 21 1HG ARG 21 -5.140 -0.772 12.501 182 1HD ARG 21 2HD ARG 21 -6.719 -0.065 14.278 183 2HD ARG 21 1HD ARG 21 -5.113 -0.464 14.884 184 HE ARG 21 HE ARG 21 -4.992 2.217 14.515 185 1HH1 ARG 21 1HH1 ARG 21 -7.242 0.152 16.225 186 2HH1 ARG 21 2HH1 ARG 21 -7.617 1.345 17.422 187 1HH2 ARG 21 1HH2 ARG 21 -5.485 3.782 16.102 188 2HH2 ARG 21 2HH2 ARG 21 -6.621 3.401 17.352 189 H LYS 22 H LYS 22 -1.413 2.383 10.705 190 HA LYS 22 HA LYS 22 0.339 3.120 12.701 191 1HB LYS 22 2HB LYS 22 0.281 3.610 9.750 192 2HB LYS 22 1HB LYS 22 1.501 4.422 10.718 193 1HG LYS 22 2HG LYS 22 1.079 1.446 10.547 194 2HG LYS 22 1HG LYS 22 2.362 2.364 9.758 195 1HD LYS 22 2HD LYS 22 2.934 3.164 12.155 196 2HD LYS 22 1HD LYS 22 1.973 1.779 12.673 197 1HE LYS 22 2HE LYS 22 4.170 1.472 10.661 198 2HE LYS 22 1HE LYS 22 4.522 1.490 12.387 199 1HZ LYS 22 1HZ LYS 22 2.397 -0.301 11.499 200 2HZ LYS 22 2HZ LYS 22 3.572 -0.521 12.695 201 3HZ LYS 22 3HZ LYS 22 3.977 -0.726 11.066 202 H ASP 23 H ASP 23 -0.809 5.525 10.327 203 HA ASP 23 HA ASP 23 -2.069 7.368 11.815 204 1HB ASP 23 2HB ASP 23 0.638 7.242 12.748 205 2HB ASP 23 1HB ASP 23 0.361 8.811 12.006 206 HA PRO 24 HA PRO 24 0.334 9.715 8.239 207 1HB PRO 24 2HB PRO 24 1.667 7.381 6.995 208 2HB PRO 24 1HB PRO 24 2.288 9.008 7.284 209 1HG PRO 24 2HG PRO 24 3.112 6.944 8.762 210 2HG PRO 24 1HG PRO 24 2.852 8.541 9.484 211 1HD PRO 24 2HD PRO 24 1.114 6.115 9.595 212 2HD PRO 24 1HD PRO 24 1.502 7.292 10.866 213 H SER 25 H SER 25 -0.857 6.406 7.901 214 HA SER 25 HA SER 25 -1.728 6.515 5.244 215 1HB SER 25 2HB SER 25 -1.717 4.566 7.121 216 2HB SER 25 1HB SER 25 -3.431 4.987 7.122 217 HG SER 25 HG SER 25 -3.207 3.477 5.547 218 H ALA 26 H ALA 26 -3.113 7.862 8.147 219 HA ALA 26 HA ALA 26 -5.771 8.167 7.483 220 1HB ALA 26 1HB ALA 26 -5.579 10.352 8.826 221 2HB ALA 26 2HB ALA 26 -3.894 9.884 9.060 222 3HB ALA 26 3HB ALA 26 -5.188 8.832 9.633 223 H PHE 27 H PHE 27 -3.011 9.869 6.159 224 HA PHE 27 HA PHE 27 -4.598 11.944 4.938 225 1HB PHE 27 2HB PHE 27 -1.742 11.234 4.267 226 2HB PHE 27 1HB PHE 27 -2.557 12.774 4.022 227 HD1 PHE 27 2HD PHE 27 -3.716 13.543 6.445 228 HD2 PHE 27 1HD PHE 27 -0.117 11.345 5.867 229 HE1 PHE 27 2HE PHE 27 -2.892 14.327 8.626 230 HE2 PHE 27 1HE PHE 27 0.712 12.123 8.049 231 HZ PHE 27 HZ PHE 27 -0.675 13.617 9.431 232 H PHE 28 H PHE 28 -2.860 9.051 3.787 233 HA PHE 28 HA PHE 28 -4.206 9.351 1.187 234 1HB PHE 28 2HB PHE 28 -1.909 7.493 1.826 235 2HB PHE 28 1HB PHE 28 -2.496 7.971 0.237 236 HD1 PHE 28 2HD PHE 28 -2.574 10.712 0.049 237 HD2 PHE 28 1HD PHE 28 0.116 8.390 2.393 238 HE1 PHE 28 2HE PHE 28 -0.948 12.557 0.005 239 HE2 PHE 28 1HE PHE 28 1.747 10.232 2.352 240 HZ PHE 28 HZ PHE 28 1.217 12.317 1.155 241 H SER 29 H SER 29 -5.623 8.386 3.485 242 HA SER 29 HA SER 29 -5.843 5.510 3.166 243 1HB SER 29 2HB SER 29 -6.016 6.240 5.417 244 2HB SER 29 1HB SER 29 -7.154 7.517 5.000 245 HG SER 29 HG SER 29 -7.758 5.154 5.866 246 H PHE 30 H PHE 30 -7.214 8.259 1.728 247 HA PHE 30 HA PHE 30 -9.447 6.657 0.693 248 1HB PHE 30 2HB PHE 30 -10.399 9.169 0.409 249 2HB PHE 30 1HB PHE 30 -10.734 8.164 1.812 250 HD1 PHE 30 2HD PHE 30 -9.297 8.465 3.872 251 HD2 PHE 30 1HD PHE 30 -9.276 11.205 0.614 252 HE1 PHE 30 2HE PHE 30 -8.301 10.181 5.325 253 HE2 PHE 30 1HE PHE 30 -8.282 12.925 2.063 254 HZ PHE 30 HZ PHE 30 -7.793 12.415 4.422 255 HA PRO 31 HA PRO 31 -8.026 7.573 -3.376 256 1HB PRO 31 2HB PRO 31 -10.316 8.242 -4.718 257 2HB PRO 31 1HB PRO 31 -9.876 6.585 -4.293 258 1HG PRO 31 2HG PRO 31 -11.751 8.461 -2.907 259 2HG PRO 31 1HG PRO 31 -11.941 6.729 -3.242 260 1HD PRO 31 2HD PRO 31 -11.216 7.634 -0.812 261 2HD PRO 31 1HD PRO 31 -10.592 6.108 -1.469 262 H VAL 32 H VAL 32 -6.806 9.328 -3.712 263 HA VAL 32 HA VAL 32 -7.460 11.927 -2.926 264 HB VAL 32 HB VAL 32 -5.637 12.621 -4.612 265 1HG1 VAL 32 1HG1 VAL 32 -5.108 12.634 -2.336 266 2HG1 VAL 32 2HG1 VAL 32 -3.872 11.611 -3.069 267 3HG1 VAL 32 3HG1 VAL 32 -5.224 10.880 -2.205 268 1HG2 VAL 32 1HG2 VAL 32 -5.999 9.987 -5.425 269 2HG2 VAL 32 2HG2 VAL 32 -4.459 9.998 -4.567 270 3HG2 VAL 32 3HG2 VAL 32 -4.720 11.092 -5.924 271 H THR 33 H THR 33 -7.759 13.840 -4.254 272 HA THR 33 HA THR 33 -8.955 13.420 -6.876 273 HB THR 33 HB THR 33 -10.570 15.196 -5.164 274 HG1 THR 33 1HG THR 33 -10.283 13.593 -3.652 275 1HG2 THR 33 1HG2 THR 33 -11.875 12.956 -6.496 276 2HG2 THR 33 2HG2 THR 33 -10.948 13.994 -7.577 277 3HG2 THR 33 3HG2 THR 33 -12.219 14.682 -6.567 278 H ASP 34 H ASP 34 -10.035 15.967 -7.223 279 HA ASP 34 HA ASP 34 -7.691 17.485 -7.751 280 1HB ASP 34 2HB ASP 34 -10.217 17.408 -8.793 281 2HB ASP 34 1HB ASP 34 -10.256 18.911 -7.882 282 H PHE 35 H PHE 35 -9.444 17.139 -4.906 283 HA PHE 35 HA PHE 35 -8.493 19.751 -3.932 284 1HB PHE 35 2HB PHE 35 -10.872 19.902 -3.970 285 2HB PHE 35 1HB PHE 35 -11.056 18.284 -3.304 286 HD1 PHE 35 1HD PHE 35 -10.435 17.872 -0.913 287 HD2 PHE 35 2HD PHE 35 -10.670 21.782 -2.575 288 HE1 PHE 35 1HE PHE 35 -10.582 18.825 1.355 289 HE2 PHE 35 2HE PHE 35 -10.815 22.740 -0.316 290 HZ PHE 35 HZ PHE 35 -10.771 21.262 1.653 291 H ILE 36 H ILE 36 -9.257 16.393 -3.118 292 HA ILE 36 HA ILE 36 -8.190 16.356 -0.531 293 HB ILE 36 HB ILE 36 -8.611 14.195 -2.583 294 1HG1 ILE 36 2HG1 ILE 36 -9.941 14.735 0.080 295 2HG1 ILE 36 1HG1 ILE 36 -10.577 15.253 -1.477 296 1HG2 ILE 36 1HG2 ILE 36 -7.494 13.904 0.192 297 2HG2 ILE 36 2HG2 ILE 36 -6.746 13.419 -1.330 298 3HG2 ILE 36 3HG2 ILE 36 -8.173 12.570 -0.740 299 1HD1 ILE 36 1HD1 ILE 36 -11.276 12.973 -0.232 300 2HD1 ILE 36 2HD1 ILE 36 -9.973 12.388 -1.267 301 3HD1 ILE 36 3HD1 ILE 36 -11.361 13.215 -1.976 302 H ALA 37 H ALA 37 -6.676 16.045 -3.687 303 HA ALA 37 HA ALA 37 -4.048 15.808 -2.367 304 1HB ALA 37 1HB ALA 37 -3.954 13.914 -3.588 305 2HB ALA 37 2HB ALA 37 -3.525 15.017 -4.893 306 3HB ALA 37 3HB ALA 37 -5.188 14.459 -4.726 307 HA PRO 38 HA PRO 38 -2.869 19.608 -4.275 308 1HB PRO 38 2HB PRO 38 -0.258 19.254 -4.811 309 2HB PRO 38 1HB PRO 38 -0.868 19.425 -3.163 310 1HG PRO 38 2HG PRO 38 -0.110 16.954 -4.666 311 2HG PRO 38 1HG PRO 38 0.201 17.372 -2.972 312 1HD PRO 38 2HD PRO 38 -1.805 15.703 -3.769 313 2HD PRO 38 1HD PRO 38 -1.877 16.683 -2.294 314 H GLY 39 H GLY 39 -3.145 16.956 -6.057 315 1HA GLY 39 2HA GLY 39 -3.879 17.607 -8.422 316 2HA GLY 39 1HA GLY 39 -2.220 18.172 -8.567 317 H TYR 40 H TYR 40 -3.285 15.272 -6.866 318 HA TYR 40 HA TYR 40 -1.340 13.589 -7.888 319 1HB TYR 40 2HB TYR 40 -3.955 13.177 -6.536 320 2HB TYR 40 1HB TYR 40 -3.251 11.787 -7.357 321 HD1 TYR 40 1HD TYR 40 -1.698 14.559 -5.398 322 HD2 TYR 40 2HD TYR 40 -2.365 10.367 -5.733 323 HE1 TYR 40 1HE TYR 40 -0.246 14.178 -3.457 324 HE2 TYR 40 2HE TYR 40 -0.914 9.978 -3.795 325 HH TYR 40 HH TYR 40 0.229 12.567 -1.797 326 H SER 41 H SER 41 -4.710 13.926 -9.017 327 HA SER 41 HA SER 41 -4.452 12.079 -11.149 328 1HB SER 41 2HB SER 41 -6.570 13.015 -11.964 329 2HB SER 41 1HB SER 41 -6.627 12.749 -10.222 330 HG SER 41 HG SER 41 -6.604 15.136 -11.659 331 H MET 42 H MET 42 -3.770 15.507 -10.897 332 HA MET 42 HA MET 42 -3.566 15.963 -13.715 333 1HB MET 42 2HB MET 42 -3.163 17.542 -11.252 334 2HB MET 42 1HB MET 42 -2.221 18.054 -12.645 335 1HG MET 42 2HG MET 42 -4.150 19.319 -12.800 336 2HG MET 42 1HG MET 42 -4.441 17.990 -13.922 337 1HE MET 42 1HE MET 42 -4.489 18.920 -10.362 338 2HE MET 42 2HE MET 42 -5.434 17.603 -9.668 339 3HE MET 42 3HE MET 42 -6.209 19.143 -10.041 340 H ILE 43 H ILE 43 -1.369 14.654 -11.393 341 HA ILE 43 HA ILE 43 0.859 15.068 -13.283 342 HB ILE 43 HB ILE 43 1.185 16.172 -11.089 343 1HG1 ILE 43 2HG1 ILE 43 3.359 14.519 -10.639 344 2HG1 ILE 43 1HG1 ILE 43 2.968 14.212 -12.327 345 1HG2 ILE 43 1HG2 ILE 43 1.895 14.251 -9.312 346 2HG2 ILE 43 2HG2 ILE 43 0.525 13.483 -10.107 347 3HG2 ILE 43 3HG2 ILE 43 0.327 15.054 -9.340 348 1HD1 ILE 43 1HD1 ILE 43 3.931 16.105 -12.930 349 2HD1 ILE 43 2HD1 ILE 43 4.425 16.346 -11.253 350 3HD1 ILE 43 3HD1 ILE 43 2.903 17.024 -11.829 351 H ILE 44 H ILE 44 -0.855 12.761 -11.293 352 HA ILE 44 HA ILE 44 0.514 10.603 -12.685 353 HB ILE 44 HB ILE 44 0.896 11.172 -9.976 354 1HG1 ILE 44 2HG1 ILE 44 1.719 8.537 -10.439 355 2HG1 ILE 44 1HG1 ILE 44 1.771 9.321 -12.010 356 1HG2 ILE 44 1HG2 ILE 44 0.103 9.152 -8.836 357 2HG2 ILE 44 2HG2 ILE 44 -0.797 8.700 -10.284 358 3HG2 ILE 44 3HG2 ILE 44 -1.225 10.164 -9.398 359 1HD1 ILE 44 1HD1 ILE 44 3.386 10.808 -11.363 360 2HD1 ILE 44 2HD1 ILE 44 3.844 9.364 -10.459 361 3HD1 ILE 44 3HD1 ILE 44 2.980 10.674 -9.652 362 H LYS 45 H LYS 45 -0.880 9.623 -13.821 363 HA LYS 45 HA LYS 45 -3.635 9.800 -13.730 364 1HB LYS 45 2HB LYS 45 -1.678 8.024 -15.054 365 2HB LYS 45 1HB LYS 45 -3.335 7.435 -14.976 366 1HG LYS 45 2HG LYS 45 -4.159 9.245 -16.222 367 2HG LYS 45 1HG LYS 45 -2.681 10.181 -15.994 368 1HD LYS 45 2HD LYS 45 -2.328 7.575 -17.319 369 2HD LYS 45 1HD LYS 45 -3.267 8.760 -18.228 370 1HE LYS 45 2HE LYS 45 -1.181 10.275 -17.349 371 2HE LYS 45 1HE LYS 45 -0.404 8.709 -17.577 372 1HZ LYS 45 1HZ LYS 45 -0.194 9.659 -19.643 373 2HZ LYS 45 2HZ LYS 45 -1.688 10.451 -19.571 374 3HZ LYS 45 3HZ LYS 45 -1.626 8.782 -19.846 375 H HIS 46 H HIS 46 -1.730 6.930 -12.690 376 HA HIS 46 HA HIS 46 -4.067 6.134 -11.084 377 1HB HIS 46 2HB HIS 46 -2.165 4.627 -12.758 378 2HB HIS 46 1HB HIS 46 -2.589 3.864 -11.230 379 HD1 HIS 46 1HD HIS 46 -5.519 4.338 -10.973 380 HD2 HIS 46 2HD HIS 46 -3.728 3.463 -14.620 381 HE1 HIS 46 1HE HIS 46 -7.355 3.410 -12.418 382 HE2 HIS 46 2HE HIS 46 -6.227 2.795 -14.585 383 HA PRO 47 HA PRO 47 -0.909 6.944 -7.831 384 1HB PRO 47 2HB PRO 47 -2.576 8.150 -6.093 385 2HB PRO 47 1HB PRO 47 -1.839 9.024 -7.440 386 1HG PRO 47 2HG PRO 47 -4.608 7.953 -7.159 387 2HG PRO 47 1HG PRO 47 -4.054 9.455 -7.917 388 1HD PRO 47 2HD PRO 47 -4.719 7.145 -9.289 389 2HD PRO 47 1HD PRO 47 -3.678 8.437 -9.918 390 H MET 48 H MET 48 -4.222 5.769 -7.566 391 HA MET 48 HA MET 48 -5.261 4.238 -6.272 392 1HB MET 48 2HB MET 48 -3.090 3.050 -7.570 393 2HB MET 48 1HB MET 48 -3.048 2.412 -5.931 394 1HG MET 48 2HG MET 48 -4.474 0.897 -6.765 395 2HG MET 48 1HG MET 48 -5.668 2.157 -6.465 396 1HE MET 48 1HE MET 48 -7.555 1.593 -8.947 397 2HE MET 48 2HE MET 48 -6.808 0.434 -7.849 398 3HE MET 48 3HE MET 48 -6.658 0.218 -9.592 399 H ASP 49 H ASP 49 -5.601 5.341 -4.369 400 HA ASP 49 HA ASP 49 -3.632 5.460 -2.273 401 1HB ASP 49 2HB ASP 49 -6.582 6.123 -2.324 402 2HB ASP 49 1HB ASP 49 -5.541 6.381 -0.928 403 H PHE 50 H PHE 50 -4.451 4.754 0.016 404 HA PHE 50 HA PHE 50 -4.430 1.974 0.129 405 1HB PHE 50 2HB PHE 50 -5.146 4.090 2.132 406 2HB PHE 50 1HB PHE 50 -5.375 2.388 2.527 407 HD1 PHE 50 2HD PHE 50 -2.798 4.764 1.279 408 HD2 PHE 50 1HD PHE 50 -3.617 1.161 3.390 409 HE1 PHE 50 2HE PHE 50 -0.425 4.593 1.898 410 HE2 PHE 50 1HE PHE 50 -1.244 0.983 4.013 411 HZ PHE 50 HZ PHE 50 0.354 2.701 3.269 412 H SER 51 H SER 51 -7.196 4.203 0.213 413 HA SER 51 HA SER 51 -9.170 2.281 0.813 414 1HB SER 51 2HB SER 51 -9.881 4.493 1.097 415 2HB SER 51 1HB SER 51 -9.251 4.998 -0.469 416 HG SER 51 HG SER 51 -11.581 3.501 0.098 417 H THR 52 H THR 52 -7.777 3.347 -2.252 418 HA THR 52 HA THR 52 -9.624 1.995 -3.923 419 HB THR 52 HB THR 52 -6.790 2.500 -4.763 420 HG1 THR 52 1HG THR 52 -8.763 4.492 -4.328 421 1HG2 THR 52 1HG2 THR 52 -8.236 1.613 -6.455 422 2HG2 THR 52 2HG2 THR 52 -7.877 3.301 -6.821 423 3HG2 THR 52 3HG2 THR 52 -9.441 2.859 -6.134 424 H MET 53 H MET 53 -6.324 1.146 -2.859 425 HA MET 53 HA MET 53 -6.279 -1.369 -4.134 426 1HB MET 53 2HB MET 53 -4.330 -1.861 -2.700 427 2HB MET 53 1HB MET 53 -4.213 -0.300 -3.496 428 1HG MET 53 2HG MET 53 -5.053 0.725 -1.359 429 2HG MET 53 1HG MET 53 -4.836 -0.857 -0.614 430 1HE MET 53 1HE MET 53 -1.494 -1.709 -1.850 431 2HE MET 53 2HE MET 53 -2.882 -2.190 -0.875 432 3HE MET 53 3HE MET 53 -1.442 -1.531 -0.097 433 H LYS 54 H LYS 54 -7.086 -0.487 -0.758 434 HA LYS 54 HA LYS 54 -7.400 -3.102 0.195 435 1HB LYS 54 2HB LYS 54 -8.773 -2.132 1.996 436 2HB LYS 54 1HB LYS 54 -7.287 -1.234 1.731 437 1HG LYS 54 2HG LYS 54 -8.655 0.538 1.841 438 2HG LYS 54 1HG LYS 54 -8.959 0.154 0.148 439 1HD LYS 54 2HD LYS 54 -11.058 -0.602 0.556 440 2HD LYS 54 1HD LYS 54 -10.623 -1.274 2.128 441 1HE LYS 54 2HE LYS 54 -10.950 1.667 1.547 442 2HE LYS 54 1HE LYS 54 -12.196 0.642 2.260 443 1HZ LYS 54 1HZ LYS 54 -9.657 0.500 3.617 444 2HZ LYS 54 2HZ LYS 54 -11.211 0.710 4.248 445 3HZ LYS 54 3HZ LYS 54 -10.356 2.040 3.652 446 H GLU 55 H GLU 55 -9.774 -0.954 -1.354 447 HA GLU 55 HA GLU 55 -12.013 -2.634 -1.018 448 1HB GLU 55 2HB GLU 55 -11.535 -0.132 -2.151 449 2HB GLU 55 1HB GLU 55 -12.073 -1.118 -3.504 450 1HG GLU 55 2HG GLU 55 -13.972 -1.822 -1.856 451 2HG GLU 55 1HG GLU 55 -13.532 -0.329 -1.029 452 H LYS 56 H LYS 56 -9.533 -2.455 -3.526 453 HA LYS 56 HA LYS 56 -10.744 -4.323 -5.289 454 1HB LYS 56 2HB LYS 56 -7.840 -3.528 -5.021 455 2HB LYS 56 1HB LYS 56 -8.527 -4.426 -6.366 456 1HG LYS 56 2HG LYS 56 -9.699 -1.780 -5.680 457 2HG LYS 56 1HG LYS 56 -8.139 -1.835 -6.504 458 1HD LYS 56 2HD LYS 56 -9.040 -2.903 -8.381 459 2HD LYS 56 1HD LYS 56 -10.494 -3.400 -7.510 460 1HE LYS 56 2HE LYS 56 -11.494 -1.365 -7.739 461 2HE LYS 56 1HE LYS 56 -9.963 -0.490 -7.731 462 1HZ LYS 56 1HZ LYS 56 -9.693 -1.734 -10.017 463 2HZ LYS 56 2HZ LYS 56 -10.536 -0.272 -9.905 464 3HZ LYS 56 3HZ LYS 56 -11.384 -1.733 -9.967 465 H ILE 57 H ILE 57 -8.390 -4.645 -2.650 466 HA ILE 57 HA ILE 57 -7.682 -7.324 -3.069 467 HB ILE 57 HB ILE 57 -7.881 -5.886 -0.416 468 1HG1 ILE 57 2HG1 ILE 57 -5.287 -6.355 -1.802 469 2HG1 ILE 57 1HG1 ILE 57 -6.323 -5.084 -2.442 470 1HG2 ILE 57 1HG2 ILE 57 -7.678 -8.089 0.206 471 2HG2 ILE 57 2HG2 ILE 57 -5.983 -7.624 0.062 472 3HG2 ILE 57 3HG2 ILE 57 -6.764 -8.526 -1.238 473 1HD1 ILE 57 1HD1 ILE 57 -6.193 -4.805 0.384 474 2HD1 ILE 57 2HD1 ILE 57 -5.615 -3.706 -0.870 475 3HD1 ILE 57 3HD1 ILE 57 -4.556 -4.973 -0.250 476 H LYS 58 H LYS 58 -10.409 -5.905 -1.310 477 HA LYS 58 HA LYS 58 -11.387 -8.227 -0.099 478 1HB LYS 58 2HB LYS 58 -12.592 -5.615 -0.903 479 2HB LYS 58 1HB LYS 58 -13.668 -6.916 -0.418 480 1HG LYS 58 2HG LYS 58 -11.398 -5.869 1.260 481 2HG LYS 58 1HG LYS 58 -13.082 -5.365 1.416 482 1HD LYS 58 2HD LYS 58 -13.293 -7.035 2.886 483 2HD LYS 58 1HD LYS 58 -13.243 -8.114 1.490 484 1HE LYS 58 2HE LYS 58 -11.282 -8.955 2.119 485 2HE LYS 58 1HE LYS 58 -10.580 -7.348 2.283 486 1HZ LYS 58 1HZ LYS 58 -12.085 -7.464 4.480 487 2HZ LYS 58 2HZ LYS 58 -10.464 -7.942 4.434 488 3HZ LYS 58 3HZ LYS 58 -11.690 -9.101 4.312 489 H ASN 59 H ASN 59 -11.549 -7.186 -3.424 490 HA ASN 59 HA ASN 59 -13.553 -9.231 -4.060 491 1HB ASN 59 2HB ASN 59 -12.516 -6.794 -5.440 492 2HB ASN 59 1HB ASN 59 -13.142 -8.106 -6.428 493 1HD2 ASN 59 1HD2 ASN 59 -13.916 -5.404 -4.567 494 2HD2 ASN 59 2HD2 ASN 59 -15.633 -5.599 -4.552 495 H ASN 60 H ASN 60 -10.620 -9.708 -3.356 496 HA ASN 60 HA ASN 60 -8.936 -11.095 -3.968 497 1HB ASN 60 2HB ASN 60 -11.298 -12.271 -4.989 498 2HB ASN 60 1HB ASN 60 -10.074 -12.430 -6.245 499 1HD2 ASN 60 1HD2 ASN 60 -10.169 -12.635 -2.698 500 2HD2 ASN 60 2HD2 ASN 60 -9.310 -14.130 -2.595 501 H ASP 61 H ASP 61 -9.422 -8.469 -5.372 502 HA ASP 61 HA ASP 61 -8.402 -8.759 -8.027 503 1HB ASP 61 2HB ASP 61 -9.756 -6.792 -6.900 504 2HB ASP 61 1HB ASP 61 -8.149 -6.211 -6.475 505 H TYR 62 H TYR 62 -7.052 -7.995 -4.864 506 HA TYR 62 HA TYR 62 -4.352 -8.254 -6.005 507 1HB TYR 62 2HB TYR 62 -5.279 -6.562 -3.676 508 2HB TYR 62 1HB TYR 62 -3.590 -6.813 -4.101 509 HD1 TYR 62 2HD TYR 62 -3.108 -6.326 -6.715 510 HD2 TYR 62 1HD TYR 62 -6.245 -4.613 -4.410 511 HE1 TYR 62 2HE TYR 62 -3.246 -4.456 -8.304 512 HE2 TYR 62 1HE TYR 62 -6.389 -2.736 -5.989 513 HH TYR 62 HH TYR 62 -4.826 -1.602 -7.651 514 H GLN 63 H GLN 63 -3.679 -10.241 -5.553 515 HA GLN 63 HA GLN 63 -3.618 -11.107 -2.781 516 1HB GLN 63 2HB GLN 63 -4.590 -13.232 -3.166 517 2HB GLN 63 1HB GLN 63 -5.678 -12.070 -3.907 518 1HG GLN 63 2HG GLN 63 -5.602 -13.316 -5.734 519 2HG GLN 63 1HG GLN 63 -3.944 -12.762 -5.952 520 1HE2 GLN 63 1HE2 GLN 63 -5.500 -15.050 -3.719 521 2HE2 GLN 63 2HE2 GLN 63 -4.451 -16.374 -4.082 522 H SER 64 H SER 64 -1.823 -10.178 -5.037 523 HA SER 64 HA SER 64 0.095 -12.393 -4.902 524 1HB SER 64 2HB SER 64 0.292 -10.438 -7.144 525 2HB SER 64 1HB SER 64 0.668 -12.161 -7.115 526 HG SER 64 HG SER 64 -1.176 -11.846 -8.346 527 H ILE 65 H ILE 65 2.064 -11.890 -4.203 528 HA ILE 65 HA ILE 65 2.563 -9.629 -2.701 529 HB ILE 65 HB ILE 65 5.041 -10.270 -3.041 530 1HG1 ILE 65 2HG1 ILE 65 4.368 -12.983 -3.765 531 2HG1 ILE 65 1HG1 ILE 65 3.909 -11.876 -5.052 532 1HG2 ILE 65 1HG2 ILE 65 2.886 -11.763 -1.675 533 2HG2 ILE 65 2HG2 ILE 65 4.275 -10.908 -1.005 534 3HG2 ILE 65 3HG2 ILE 65 4.484 -12.506 -1.718 535 1HD1 ILE 65 1HD1 ILE 65 6.583 -12.607 -4.037 536 2HD1 ILE 65 2HD1 ILE 65 6.351 -10.947 -4.587 537 3HD1 ILE 65 3HD1 ILE 65 6.036 -12.293 -5.685 538 H GLU 66 H GLU 66 3.396 -10.274 -6.087 539 HA GLU 66 HA GLU 66 4.866 -7.868 -6.464 540 1HB GLU 66 2HB GLU 66 3.883 -10.072 -8.157 541 2HB GLU 66 1HB GLU 66 4.026 -8.521 -8.972 542 1HG GLU 66 2HG GLU 66 6.243 -9.857 -7.434 543 2HG GLU 66 1HG GLU 66 6.035 -9.929 -9.184 544 H GLU 67 H GLU 67 1.480 -8.782 -7.008 545 HA GLU 67 HA GLU 67 0.716 -6.409 -8.340 546 1HB GLU 67 2HB GLU 67 -0.829 -8.504 -6.823 547 2HB GLU 67 1HB GLU 67 -1.617 -7.133 -7.594 548 1HG GLU 67 2HG GLU 67 0.206 -8.540 -9.373 549 2HG GLU 67 1HG GLU 67 -1.084 -9.567 -8.751 550 H LEU 68 H LEU 68 0.399 -7.387 -4.925 551 HA LEU 68 HA LEU 68 -0.865 -5.011 -4.071 552 1HB LEU 68 2HB LEU 68 -0.406 -5.742 -1.825 553 2HB LEU 68 1HB LEU 68 -0.912 -7.111 -2.797 554 HG LEU 68 HG LEU 68 1.688 -7.477 -3.066 555 1HD1 LEU 68 1HD1 LEU 68 2.213 -6.787 -0.386 556 2HD1 LEU 68 2HD1 LEU 68 1.568 -5.347 -1.173 557 3HD1 LEU 68 3HD1 LEU 68 2.981 -6.160 -1.844 558 1HD2 LEU 68 1HD2 LEU 68 0.188 -8.159 -0.544 559 2HD2 LEU 68 2HD2 LEU 68 1.626 -8.979 -1.150 560 3HD2 LEU 68 3HD2 LEU 68 0.118 -9.055 -2.062 561 H LYS 69 H LYS 69 2.536 -5.934 -4.284 562 HA LYS 69 HA LYS 69 3.514 -3.652 -2.880 563 1HB LYS 69 2HB LYS 69 4.663 -5.949 -4.278 564 2HB LYS 69 1HB LYS 69 5.602 -4.477 -4.488 565 1HG LYS 69 2HG LYS 69 5.384 -4.264 -1.915 566 2HG LYS 69 1HG LYS 69 4.982 -5.980 -1.983 567 1HD LYS 69 2HD LYS 69 7.413 -4.950 -3.391 568 2HD LYS 69 1HD LYS 69 7.455 -5.245 -1.651 569 1HE LYS 69 2HE LYS 69 6.309 -7.534 -2.515 570 2HE LYS 69 1HE LYS 69 7.333 -7.148 -3.898 571 1HZ LYS 69 1HZ LYS 69 9.222 -6.981 -2.363 572 2HZ LYS 69 2HZ LYS 69 8.527 -8.522 -2.344 573 3HZ LYS 69 3HZ LYS 69 8.221 -7.442 -1.078 574 H ASP 70 H ASP 70 3.152 -4.439 -6.326 575 HA ASP 70 HA ASP 70 4.395 -2.177 -7.383 576 1HB ASP 70 2HB ASP 70 3.389 -4.314 -8.544 577 2HB ASP 70 1HB ASP 70 1.958 -3.303 -8.709 578 H ASN 71 H ASN 71 1.017 -2.672 -6.419 579 HA ASN 71 HA ASN 71 0.164 -0.082 -7.225 580 1HB ASN 71 2HB ASN 71 -1.029 -2.385 -5.808 581 2HB ASN 71 1HB ASN 71 -1.734 -0.817 -5.440 582 1HD2 ASN 71 1HD2 ASN 71 -2.611 0.424 -7.163 583 2HD2 ASN 71 2HD2 ASN 71 -3.166 -0.346 -8.605 584 H PHE 72 H PHE 72 0.969 -1.454 -4.010 585 HA PHE 72 HA PHE 72 0.445 0.896 -2.549 586 1HB PHE 72 2HB PHE 72 0.695 -1.227 -1.396 587 2HB PHE 72 1HB PHE 72 2.361 -1.371 -1.944 588 HD1 PHE 72 1HD PHE 72 0.555 1.539 -0.474 589 HD2 PHE 72 2HD PHE 72 3.669 -1.331 -0.021 590 HE1 PHE 72 1HE PHE 72 1.327 2.697 1.552 591 HE2 PHE 72 2HE PHE 72 4.441 -0.175 2.012 592 HZ PHE 72 HZ PHE 72 3.270 1.843 2.799 593 H LYS 73 H LYS 73 3.473 -0.334 -3.952 594 HA LYS 73 HA LYS 73 5.100 1.807 -3.114 595 1HB LYS 73 2HB LYS 73 5.551 -0.572 -4.407 596 2HB LYS 73 1HB LYS 73 5.857 0.598 -5.682 597 1HG LYS 73 2HG LYS 73 7.300 1.758 -3.804 598 2HG LYS 73 1HG LYS 73 7.322 0.122 -3.138 599 1HD LYS 73 2HD LYS 73 7.893 -0.379 -5.741 600 2HD LYS 73 1HD LYS 73 8.631 1.213 -5.543 601 1HE LYS 73 2HE LYS 73 10.234 0.441 -4.146 602 2HE LYS 73 1HE LYS 73 9.155 -0.725 -3.381 603 1HZ LYS 73 1HZ LYS 73 10.960 -1.752 -4.687 604 2HZ LYS 73 2HZ LYS 73 10.319 -1.061 -6.092 605 3HZ LYS 73 3HZ LYS 73 9.419 -2.201 -5.225 606 H LEU 74 H LEU 74 3.026 1.376 -5.940 607 HA LEU 74 HA LEU 74 3.957 3.519 -7.489 608 1HB LEU 74 2HB LEU 74 1.489 1.902 -7.367 609 2HB LEU 74 1HB LEU 74 1.307 3.491 -8.086 610 HG LEU 74 HG LEU 74 3.435 1.578 -9.016 611 1HD1 LEU 74 1HD1 LEU 74 1.634 1.297 -10.933 612 2HD1 LEU 74 2HD1 LEU 74 0.523 1.585 -9.594 613 3HD1 LEU 74 3HD1 LEU 74 1.664 0.243 -9.521 614 1HD2 LEU 74 1HD2 LEU 74 3.427 4.083 -9.564 615 2HD2 LEU 74 2HD2 LEU 74 2.029 3.721 -10.578 616 3HD2 LEU 74 3HD2 LEU 74 3.579 2.948 -10.905 617 H MET 75 H MET 75 1.424 3.431 -4.976 618 HA MET 75 HA MET 75 0.667 6.141 -5.245 619 1HB MET 75 2HB MET 75 -0.511 4.210 -3.959 620 2HB MET 75 1HB MET 75 0.523 4.694 -2.622 621 1HG MET 75 2HG MET 75 -0.562 7.079 -3.517 622 2HG MET 75 1HG MET 75 -1.888 5.927 -3.649 623 1HE MET 75 1HE MET 75 0.148 7.882 -0.333 624 2HE MET 75 2HE MET 75 0.972 7.105 -1.684 625 3HE MET 75 3HE MET 75 0.803 6.256 -0.147 626 H CYS 76 H CYS 76 3.027 4.526 -3.152 627 HA CYS 76 HA CYS 76 3.796 6.820 -1.696 628 1HB CYS 76 2HB CYS 76 4.944 4.107 -2.152 629 2HB CYS 76 1HB CYS 76 6.012 5.349 -1.510 630 HG CYS 76 HG CYS 76 4.980 5.065 0.684 631 H THR 77 H THR 77 5.065 5.336 -4.659 632 HA THR 77 HA THR 77 7.247 7.127 -4.963 633 HB THR 77 HB THR 77 5.841 5.451 -7.056 634 HG1 THR 77 1HG THR 77 6.657 4.041 -5.623 635 1HG2 THR 77 1HG2 THR 77 7.173 6.468 -8.509 636 2HG2 THR 77 2HG2 THR 77 8.502 5.610 -7.728 637 3HG2 THR 77 3HG2 THR 77 8.102 7.257 -7.235 638 H ASN 78 H ASN 78 4.011 7.015 -6.467 639 HA ASN 78 HA ASN 78 4.310 9.331 -8.040 640 1HB ASN 78 2HB ASN 78 1.769 8.135 -6.901 641 2HB ASN 78 1HB ASN 78 1.864 9.283 -8.222 642 1HD2 ASN 78 1HD2 ASN 78 0.500 7.223 -8.914 643 2HD2 ASN 78 2HD2 ASN 78 1.391 6.074 -9.838 644 H ALA 79 H ALA 79 3.236 8.796 -4.731 645 HA ALA 79 HA ALA 79 2.315 11.454 -4.269 646 1HB ALA 79 1HB ALA 79 1.432 9.672 -2.934 647 2HB ALA 79 2HB ALA 79 2.323 10.769 -1.879 648 3HB ALA 79 3HB ALA 79 3.045 9.235 -2.367 649 H MET 80 H MET 80 5.357 9.742 -3.530 650 HA MET 80 HA MET 80 6.481 11.972 -2.144 651 1HB MET 80 2HB MET 80 8.514 10.706 -2.040 652 2HB MET 80 1HB MET 80 7.176 9.603 -1.775 653 1HG MET 80 2HG MET 80 8.005 8.298 -3.349 654 2HG MET 80 1HG MET 80 7.663 9.557 -4.531 655 1HE MET 80 1HE MET 80 11.023 9.760 -6.025 656 2HE MET 80 2HE MET 80 9.410 10.471 -6.024 657 3HE MET 80 3HE MET 80 9.602 8.721 -6.117 658 H ILE 81 H ILE 81 6.517 10.919 -5.510 659 HA ILE 81 HA ILE 81 8.642 12.638 -6.311 660 HB ILE 81 HB ILE 81 7.938 10.660 -7.639 661 1HG1 ILE 81 2HG1 ILE 81 8.037 11.845 -9.883 662 2HG1 ILE 81 1HG1 ILE 81 7.975 13.361 -8.992 663 1HG2 ILE 81 1HG2 ILE 81 5.536 10.865 -7.450 664 2HG2 ILE 81 2HG2 ILE 81 6.009 10.856 -9.148 665 3HG2 ILE 81 3HG2 ILE 81 5.565 12.371 -8.363 666 1HD1 ILE 81 1HD1 ILE 81 10.046 12.787 -7.854 667 2HD1 ILE 81 2HD1 ILE 81 10.252 12.762 -9.606 668 3HD1 ILE 81 3HD1 ILE 81 10.101 11.249 -8.713 669 H TYR 82 H TYR 82 5.098 12.983 -6.266 670 HA TYR 82 HA TYR 82 5.256 15.643 -7.411 671 1HB TYR 82 2HB TYR 82 3.316 13.946 -7.716 672 2HB TYR 82 1HB TYR 82 2.787 14.492 -6.130 673 HD1 TYR 82 2HD TYR 82 4.337 16.619 -8.748 674 HD2 TYR 82 1HD TYR 82 0.751 15.544 -6.722 675 HE1 TYR 82 2HE TYR 82 3.183 18.519 -9.793 676 HE2 TYR 82 1HE TYR 82 -0.409 17.442 -7.768 677 HH TYR 82 HH TYR 82 -0.064 18.839 -9.960 678 H ASN 83 H ASN 83 4.725 14.191 -4.234 679 HA ASN 83 HA ASN 83 4.394 16.808 -3.009 680 1HB ASN 83 2HB ASN 83 3.230 14.457 -2.402 681 2HB ASN 83 1HB ASN 83 4.612 14.380 -1.313 682 1HD2 ASN 83 1HD2 ASN 83 4.973 16.775 -0.326 683 2HD2 ASN 83 2HD2 ASN 83 3.555 17.394 0.441 684 H LYS 84 H LYS 84 6.398 17.745 -3.242 685 HA LYS 84 HA LYS 84 8.848 16.496 -2.529 686 1HB LYS 84 2HB LYS 84 8.041 19.377 -2.933 687 2HB LYS 84 1HB LYS 84 9.675 18.928 -2.470 688 1HG LYS 84 2HG LYS 84 8.235 18.096 -4.979 689 2HG LYS 84 1HG LYS 84 9.540 19.277 -4.855 690 1HD LYS 84 2HD LYS 84 10.872 17.307 -3.804 691 2HD LYS 84 1HD LYS 84 9.644 16.296 -4.571 692 1HE LYS 84 2HE LYS 84 10.570 16.560 -6.581 693 2HE LYS 84 1HE LYS 84 10.644 18.310 -6.390 694 1HZ LYS 84 1HZ LYS 84 12.831 17.147 -6.684 695 2HZ LYS 84 2HZ LYS 84 12.615 16.479 -5.145 696 3HZ LYS 84 3HZ LYS 84 12.729 18.158 -5.332 697 HA PRO 85 HA PRO 85 9.106 16.897 1.862 698 1HB PRO 85 2HB PRO 85 11.502 18.206 2.251 699 2HB PRO 85 1HB PRO 85 11.350 16.483 1.903 700 1HG PRO 85 2HG PRO 85 11.973 18.747 0.051 701 2HG PRO 85 1HG PRO 85 12.684 17.123 0.114 702 1HD PRO 85 2HD PRO 85 10.850 17.777 -1.725 703 2HD PRO 85 1HD PRO 85 10.891 16.159 -0.995 704 H GLU 86 H GLU 86 7.281 18.445 1.657 705 HA GLU 86 HA GLU 86 7.893 21.264 1.950 706 1HB GLU 86 2HB GLU 86 5.961 20.385 0.606 707 2HB GLU 86 1HB GLU 86 5.209 19.886 2.113 708 1HG GLU 86 2HG GLU 86 5.276 22.257 2.857 709 2HG GLU 86 1HG GLU 86 5.864 22.694 1.253 710 H THR 87 H THR 87 5.900 18.985 3.858 711 HA THR 87 HA THR 87 6.934 20.242 6.298 712 HB THR 87 HB THR 87 4.625 20.160 7.265 713 HG1 THR 87 1HG THR 87 3.932 19.559 4.580 714 1HG2 THR 87 1HG2 THR 87 4.238 21.845 4.887 715 2HG2 THR 87 2HG2 THR 87 5.690 22.159 5.836 716 3HG2 THR 87 3HG2 THR 87 4.104 22.239 6.601 717 H ILE 88 H ILE 88 4.350 17.845 5.967 718 HA ILE 88 HA ILE 88 6.161 15.819 7.098 719 HB ILE 88 HB ILE 88 4.356 14.935 8.475 720 1HG1 ILE 88 2HG1 ILE 88 2.507 15.843 6.957 721 2HG1 ILE 88 1HG1 ILE 88 2.220 15.927 8.690 722 1HG2 ILE 88 1HG2 ILE 88 4.075 17.112 9.934 723 2HG2 ILE 88 2HG2 ILE 88 5.293 17.731 8.819 724 3HG2 ILE 88 3HG2 ILE 88 5.631 16.293 9.783 725 1HD1 ILE 88 1HD1 ILE 88 2.164 18.015 6.772 726 2HD1 ILE 88 2HD1 ILE 88 3.456 18.350 7.924 727 3HD1 ILE 88 3HD1 ILE 88 1.810 18.086 8.498 728 H TYR 89 H TYR 89 4.155 16.578 4.522 729 HA TYR 89 HA TYR 89 2.822 14.168 4.002 730 1HB TYR 89 2HB TYR 89 3.680 16.502 2.357 731 2HB TYR 89 1HB TYR 89 3.218 15.029 1.510 732 HD1 TYR 89 1HD TYR 89 2.028 17.747 3.682 733 HD2 TYR 89 2HD TYR 89 0.930 14.286 1.465 734 HE1 TYR 89 1HE TYR 89 -0.341 18.376 3.883 735 HE2 TYR 89 2HE TYR 89 -1.441 14.905 1.660 736 HH TYR 89 HH TYR 89 -2.758 16.568 3.632 737 H TYR 90 H TYR 90 6.043 15.295 2.973 738 HA TYR 90 HA TYR 90 6.710 13.039 1.428 739 1HB TYR 90 2HB TYR 90 7.910 15.335 1.620 740 2HB TYR 90 1HB TYR 90 8.767 14.602 2.971 741 HD1 TYR 90 1HD TYR 90 7.801 13.483 -0.475 742 HD2 TYR 90 2HD TYR 90 10.898 13.934 2.407 743 HE1 TYR 90 1HE TYR 90 9.404 12.487 -2.049 744 HE2 TYR 90 2HE TYR 90 12.509 12.937 0.841 745 HH TYR 90 HH TYR 90 11.614 11.251 -1.900 746 H LYS 91 H LYS 91 7.262 13.749 4.863 747 HA LYS 91 HA LYS 91 8.690 11.347 5.402 748 1HB LYS 91 2HB LYS 91 7.180 13.123 7.328 749 2HB LYS 91 1HB LYS 91 8.377 11.910 7.760 750 1HG LYS 91 2HG LYS 91 10.096 13.265 7.307 751 2HG LYS 91 1HG LYS 91 9.340 13.899 5.844 752 1HD LYS 91 2HD LYS 91 9.071 15.793 7.006 753 2HD LYS 91 1HD LYS 91 7.765 14.944 7.834 754 1HE LYS 91 2HE LYS 91 10.642 14.963 8.743 755 2HE LYS 91 1HE LYS 91 9.392 16.037 9.368 756 1HZ LYS 91 1HZ LYS 91 9.216 14.398 10.891 757 2HZ LYS 91 2HZ LYS 91 9.818 13.198 9.862 758 3HZ LYS 91 3HZ LYS 91 8.207 13.695 9.727 759 H ALA 92 H ALA 92 5.284 12.270 5.606 760 HA ALA 92 HA ALA 92 4.298 10.072 7.016 761 1HB ALA 92 1HB ALA 92 3.046 12.171 6.384 762 2HB ALA 92 2HB ALA 92 2.147 10.664 6.219 763 3HB ALA 92 3HB ALA 92 2.814 11.454 4.789 764 H ALA 93 H ALA 93 4.762 10.493 3.512 765 HA ALA 93 HA ALA 93 3.745 7.932 2.807 766 1HB ALA 93 1HB ALA 93 4.282 8.457 0.624 767 2HB ALA 93 2HB ALA 93 5.701 9.397 1.085 768 3HB ALA 93 3HB ALA 93 4.085 10.055 1.342 769 H LYS 94 H LYS 94 7.040 9.190 3.276 770 HA LYS 94 HA LYS 94 8.409 6.845 2.553 771 1HB LYS 94 2HB LYS 94 9.196 9.346 3.171 772 2HB LYS 94 1HB LYS 94 9.601 8.534 4.678 773 1HG LYS 94 2HG LYS 94 10.860 6.846 3.291 774 2HG LYS 94 1HG LYS 94 10.631 7.934 1.920 775 1HD LYS 94 2HD LYS 94 12.743 8.495 2.762 776 2HD LYS 94 1HD LYS 94 11.670 9.736 3.415 777 1HE LYS 94 2HE LYS 94 13.039 9.072 5.214 778 2HE LYS 94 1HE LYS 94 11.483 8.290 5.487 779 1HZ LYS 94 1HZ LYS 94 14.066 7.109 4.861 780 2HZ LYS 94 2HZ LYS 94 12.732 6.397 4.104 781 3HZ LYS 94 3HZ LYS 94 12.790 6.498 5.790 782 H LYS 95 H LYS 95 7.347 8.002 5.752 783 HA LYS 95 HA LYS 95 8.399 5.878 7.256 784 1HB LYS 95 2HB LYS 95 7.150 8.189 7.889 785 2HB LYS 95 1HB LYS 95 5.837 7.055 8.171 786 1HG LYS 95 2HG LYS 95 6.695 6.531 10.139 787 2HG LYS 95 1HG LYS 95 8.187 5.996 9.365 788 1HD LYS 95 2HD LYS 95 7.714 8.915 9.815 789 2HD LYS 95 1HD LYS 95 8.241 7.898 11.159 790 1HE LYS 95 2HE LYS 95 9.764 7.475 8.698 791 2HE LYS 95 1HE LYS 95 9.888 9.117 9.330 792 1HZ LYS 95 1HZ LYS 95 11.608 7.627 10.208 793 2HZ LYS 95 2HZ LYS 95 10.414 6.652 10.905 794 3HZ LYS 95 3HZ LYS 95 10.622 8.244 11.437 795 H LEU 96 H LEU 96 5.173 6.317 5.822 796 HA LEU 96 HA LEU 96 4.061 3.905 6.755 797 1HB LEU 96 2HB LEU 96 3.115 6.072 5.410 798 2HB LEU 96 1HB LEU 96 3.139 4.877 4.127 799 HG LEU 96 HG LEU 96 1.715 3.396 5.503 800 1HD1 LEU 96 1HD1 LEU 96 2.547 4.873 7.631 801 2HD1 LEU 96 2HD1 LEU 96 1.147 3.800 7.634 802 3HD1 LEU 96 3HD1 LEU 96 0.933 5.527 7.355 803 1HD2 LEU 96 1HD2 LEU 96 0.731 4.930 3.865 804 2HD2 LEU 96 2HD2 LEU 96 0.592 6.166 5.112 805 3HD2 LEU 96 3HD2 LEU 96 -0.336 4.674 5.244 806 H LEU 97 H LEU 97 5.879 4.679 3.814 807 HA LEU 97 HA LEU 97 5.503 2.299 2.407 808 1HB LEU 97 2HB LEU 97 6.763 4.531 1.794 809 2HB LEU 97 1HB LEU 97 8.167 3.657 2.371 810 HG LEU 97 HG LEU 97 6.360 2.587 0.208 811 1HD1 LEU 97 1HD1 LEU 97 9.004 3.863 -0.349 812 2HD1 LEU 97 2HD1 LEU 97 7.548 4.852 -0.243 813 3HD1 LEU 97 3HD1 LEU 97 7.651 3.560 -1.439 814 1HD2 LEU 97 1HD2 LEU 97 7.570 0.773 0.842 815 2HD2 LEU 97 2HD2 LEU 97 8.895 1.740 1.489 816 3HD2 LEU 97 3HD2 LEU 97 8.748 1.497 -0.252 817 H HIS 98 H HIS 98 7.972 3.130 4.829 818 HA HIS 98 HA HIS 98 9.374 0.684 4.688 819 1HB HIS 98 2HB HIS 98 9.653 3.092 6.089 820 2HB HIS 98 1HB HIS 98 9.466 1.862 7.335 821 HD1 HIS 98 1HD HIS 98 11.937 3.355 5.155 822 HD2 HIS 98 2HD HIS 98 11.421 -0.332 7.001 823 HE1 HIS 98 1HE HIS 98 14.202 2.262 5.117 824 HE2 HIS 98 2HE HIS 98 13.838 -0.013 6.136 825 H SER 99 H SER 99 6.687 1.770 6.731 826 HA SER 99 HA SER 99 6.560 -0.409 8.478 827 1HB SER 99 2HB SER 99 4.196 1.169 7.428 828 2HB SER 99 1HB SER 99 4.278 0.265 8.939 829 HG SER 99 HG SER 99 4.737 2.735 8.766 830 H GLY 100 H GLY 100 4.984 0.087 5.323 831 1HA GLY 100 2HA GLY 100 3.524 -2.313 5.267 832 2HA GLY 100 1HA GLY 100 4.021 -1.390 3.856 833 H MET 101 H MET 101 6.822 -1.581 4.189 834 HA MET 101 HA MET 101 7.361 -3.997 2.893 835 1HB MET 101 2HB MET 101 9.012 -1.844 4.116 836 2HB MET 101 1HB MET 101 9.807 -3.379 3.793 837 1HG MET 101 2HG MET 101 8.198 -2.072 1.650 838 2HG MET 101 1HG MET 101 9.822 -1.491 2.010 839 1HE MET 101 1HE MET 101 11.467 -1.945 0.772 840 2HE MET 101 2HE MET 101 10.792 -2.471 -0.771 841 3HE MET 101 3HE MET 101 11.999 -3.461 0.047 842 H LYS 102 H LYS 102 7.712 -3.099 6.313 843 HA LYS 102 HA LYS 102 8.932 -5.520 7.134 844 1HB LYS 102 2HB LYS 102 7.335 -3.489 8.699 845 2HB LYS 102 1HB LYS 102 8.185 -4.843 9.430 846 1HG LYS 102 2HG LYS 102 10.041 -3.647 9.510 847 2HG LYS 102 1HG LYS 102 10.017 -3.473 7.754 848 1HD LYS 102 2HD LYS 102 9.830 -1.277 8.199 849 2HD LYS 102 1HD LYS 102 8.133 -1.659 8.490 850 1HE LYS 102 2HE LYS 102 10.251 -1.709 10.632 851 2HE LYS 102 1HE LYS 102 9.247 -0.303 10.284 852 1HZ LYS 102 1HZ LYS 102 8.542 -2.812 11.585 853 2HZ LYS 102 2HZ LYS 102 7.367 -2.137 10.574 854 3HZ LYS 102 3HZ LYS 102 7.975 -1.246 11.876 855 H ILE 103 H ILE 103 5.542 -4.473 6.995 856 HA ILE 103 HA ILE 103 4.501 -6.826 8.218 857 HB ILE 103 HB ILE 103 3.006 -4.991 6.348 858 1HG1 ILE 103 2HG1 ILE 103 2.937 -4.714 9.333 859 2HG1 ILE 103 1HG1 ILE 103 4.254 -3.970 8.435 860 1HG2 ILE 103 1HG2 ILE 103 2.268 -7.169 8.219 861 2HG2 ILE 103 2HG2 ILE 103 1.546 -6.702 6.681 862 3HG2 ILE 103 3HG2 ILE 103 1.195 -5.773 8.138 863 1HD1 ILE 103 1HD1 ILE 103 2.398 -2.903 7.015 864 2HD1 ILE 103 2HD1 ILE 103 2.695 -2.271 8.635 865 3HD1 ILE 103 3HD1 ILE 103 1.332 -3.354 8.346 866 H LEU 104 H LEU 104 5.225 -5.923 4.886 867 HA LEU 104 HA LEU 104 3.855 -8.017 3.600 868 1HB LEU 104 2HB LEU 104 5.619 -5.925 2.856 869 2HB LEU 104 1HB LEU 104 6.264 -7.410 2.188 870 HG LEU 104 HG LEU 104 3.427 -7.265 1.702 871 1HD1 LEU 104 1HD1 LEU 104 4.380 -4.749 1.828 872 2HD1 LEU 104 2HD1 LEU 104 3.093 -5.258 0.735 873 3HD1 LEU 104 3HD1 LEU 104 4.752 -5.140 0.149 874 1HD2 LEU 104 1HD2 LEU 104 4.139 -7.620 -0.593 875 2HD2 LEU 104 2HD2 LEU 104 5.037 -8.674 0.497 876 3HD2 LEU 104 3HD2 LEU 104 5.803 -7.226 -0.159 877 H SER 105 H SER 105 6.837 -7.993 5.388 878 HA SER 105 HA SER 105 8.147 -10.198 4.294 879 1HB SER 105 2HB SER 105 8.133 -9.130 7.123 880 2HB SER 105 1HB SER 105 9.207 -10.417 6.576 881 HG SER 105 HG SER 105 10.164 -8.997 5.155 882 H GLN 106 H GLN 106 5.898 -10.130 7.083 883 HA GLN 106 HA GLN 106 5.897 -12.886 7.560 884 1HB GLN 106 2HB GLN 106 3.675 -12.511 8.646 885 2HB GLN 106 1HB GLN 106 4.946 -11.437 9.207 886 1HG GLN 106 2HG GLN 106 3.997 -9.585 8.251 887 2HG GLN 106 1HG GLN 106 3.156 -10.518 7.015 888 1HE2 GLN 106 1HE2 GLN 106 2.675 -8.683 9.648 889 2HE2 GLN 106 2HE2 GLN 106 1.183 -9.343 10.215 890 H GLU 107 H GLU 107 4.058 -10.959 5.262 891 HA GLU 107 HA GLU 107 2.131 -12.813 4.491 892 1HB GLU 107 2HB GLU 107 2.923 -10.286 3.655 893 2HB GLU 107 1HB GLU 107 3.184 -11.295 2.238 894 1HG GLU 107 2HG GLU 107 0.813 -12.151 2.631 895 2HG GLU 107 1HG GLU 107 0.633 -10.773 3.716 896 H ARG 108 H ARG 108 5.543 -12.667 3.698 897 HA ARG 108 HA ARG 108 5.309 -14.677 1.617 898 1HB ARG 108 2HB ARG 108 6.953 -12.728 1.589 899 2HB ARG 108 1HB ARG 108 7.857 -13.595 2.821 900 1HG ARG 108 2HG ARG 108 8.065 -15.506 1.248 901 2HG ARG 108 1HG ARG 108 7.282 -14.518 0.014 902 1HD ARG 108 2HD ARG 108 9.452 -14.060 -0.500 903 2HD ARG 108 1HD ARG 108 9.194 -12.811 0.717 904 HE ARG 108 HE ARG 108 10.184 -15.295 1.782 905 1HH1 ARG 108 1HH1 ARG 108 11.091 -12.222 0.364 906 2HH1 ARG 108 2HH1 ARG 108 12.676 -12.232 1.057 907 1HH2 ARG 108 1HH2 ARG 108 12.280 -15.300 2.689 908 2HH2 ARG 108 2HH2 ARG 108 13.352 -13.978 2.374 909 H LEU 109 H LEU 109 4.249 -15.839 3.754 910 HA LEU 109 HA LEU 109 6.362 -17.593 4.825 911 1HB LEU 109 2HB LEU 109 4.914 -18.040 6.741 912 2HB LEU 109 1HB LEU 109 5.287 -16.335 6.604 913 HG LEU 109 HG LEU 109 2.981 -16.158 5.418 914 1HD1 LEU 109 1HD1 LEU 109 1.526 -17.994 6.745 915 2HD1 LEU 109 2HD1 LEU 109 2.977 -18.936 6.403 916 3HD1 LEU 109 3HD1 LEU 109 2.074 -18.195 5.081 917 1HD2 LEU 109 1HD2 LEU 109 3.821 -15.629 7.919 918 2HD2 LEU 109 2HD2 LEU 109 2.556 -16.808 8.264 919 3HD2 LEU 109 3HD2 LEU 109 2.174 -15.342 7.361 920 H GLU 110 H GLU 110 5.886 -19.845 5.014 921 HA GLU 110 HA GLU 110 5.195 -21.841 4.173 922 1HB GLU 110 2HB GLU 110 3.123 -20.993 5.433 923 2HB GLU 110 1HB GLU 110 2.462 -20.610 3.850 924 1HG GLU 110 2HG GLU 110 1.732 -22.686 3.684 925 2HG GLU 110 1HG GLU 110 3.400 -23.257 3.702 926 H HIS 111 H HIS 111 6.230 -19.876 2.297 927 HA HIS 111 HA HIS 111 5.323 -21.125 -0.149 928 1HB HIS 111 2HB HIS 111 4.141 -18.731 0.555 929 2HB HIS 111 1HB HIS 111 5.449 -18.215 -0.504 930 HD1 HIS 111 1HD HIS 111 4.854 -21.198 -2.064 931 HD2 HIS 111 2HD HIS 111 2.485 -17.807 -1.642 932 HE1 HIS 111 1HE HIS 111 3.194 -21.298 -3.948 933 HE2 HIS 111 2HE HIS 111 1.789 -19.223 -3.691 934 H HIS 112 H HIS 112 6.623 -19.963 -2.075 935 HA HIS 112 HA HIS 112 8.653 -19.750 -3.069 936 1HB HIS 112 2HB HIS 112 8.838 -18.035 -0.652 937 2HB HIS 112 1HB HIS 112 10.354 -18.415 -1.458 938 HD1 HIS 112 1HD HIS 112 9.769 -18.149 -4.351 939 HD2 HIS 112 2HD HIS 112 8.082 -15.603 -1.532 940 HE1 HIS 112 1HE HIS 112 9.120 -16.075 -5.619 941 HE2 HIS 112 2HE HIS 112 8.188 -14.513 -3.875 942 H HIS 113 H HIS 113 8.827 -22.090 -2.841 943 HA HIS 113 HA HIS 113 11.328 -22.828 -1.621 944 1HB HIS 113 2HB HIS 113 10.446 -24.606 -0.203 945 2HB HIS 113 1HB HIS 113 9.754 -23.061 0.276 946 HD1 HIS 113 1HD HIS 113 7.309 -22.676 -1.205 947 HD2 HIS 113 2HD HIS 113 8.535 -26.505 -0.165 948 HE1 HIS 113 1HE HIS 113 5.238 -24.092 -1.306 949 HE2 HIS 113 2HE HIS 113 5.975 -26.361 -0.497 950 H HIS 114 H HIS 114 11.684 -25.310 -1.956 951 HA HIS 114 HA HIS 114 10.938 -25.878 -4.727 952 1HB HIS 114 2HB HIS 114 13.358 -25.960 -3.757 953 2HB HIS 114 1HB HIS 114 12.869 -27.529 -3.128 954 HD1 HIS 114 1HD HIS 114 14.052 -29.142 -4.604 955 HD2 HIS 114 2HD HIS 114 12.169 -26.134 -6.769 956 HE1 HIS 114 1HE HIS 114 14.335 -29.776 -7.021 957 HE2 HIS 114 2HE HIS 114 13.251 -27.905 -8.315 958 H HIS 115 H HIS 115 9.944 -27.765 -5.392 959 HA HIS 115 HA HIS 115 9.351 -29.948 -3.684 960 1HB HIS 115 2HB HIS 115 6.869 -29.620 -3.592 961 2HB HIS 115 1HB HIS 115 7.777 -28.472 -2.616 962 HD1 HIS 115 1HD HIS 115 5.239 -28.663 -5.210 963 HD2 HIS 115 2HD HIS 115 7.995 -25.842 -3.901 964 HE1 HIS 115 1HE HIS 115 4.455 -26.467 -6.154 965 HE2 HIS 115 2HE HIS 115 6.181 -24.789 -5.411 966 H HIS 116 H HIS 116 7.747 -31.477 -4.730 967 HA HIS 116 HA HIS 116 8.095 -31.353 -7.647 968 1HB HIS 116 2HB HIS 116 7.829 -33.639 -5.714 969 2HB HIS 116 1HB HIS 116 7.492 -33.869 -7.427 970 HD1 HIS 116 1HD HIS 116 9.519 -33.581 -9.075 971 HD2 HIS 116 2HD HIS 116 10.509 -33.487 -5.040 972 HE1 HIS 116 1HE HIS 116 12.014 -33.875 -8.989 973 HE2 HIS 116 2HE HIS 116 12.601 -33.732 -6.542 Start of MODEL 7 1 1H MET 0 1HT MET 0 -4.508 -17.626 -7.788 2 2H MET 0 2HT MET 0 -4.012 -15.988 -7.884 3 3H MET 0 3HT MET 0 -3.836 -16.855 -6.412 4 HA MET 0 HA MET 0 -2.345 -17.109 -8.919 5 1HB MET 0 2HB MET 0 -1.839 -16.337 -6.093 6 2HB MET 0 1HB MET 0 -0.554 -17.204 -6.921 7 1HG MET 0 2HG MET 0 -0.762 -15.475 -8.759 8 2HG MET 0 1HG MET 0 -1.771 -14.557 -7.644 9 1HE MET 0 1HE MET 0 1.269 -16.676 -7.798 10 2HE MET 0 2HE MET 0 2.432 -15.957 -6.683 11 3HE MET 0 3HE MET 0 2.294 -15.344 -8.331 12 H GLU 1 H GLU 1 -3.257 -18.833 -5.944 13 HA GLU 1 HA GLU 1 -2.230 -21.309 -7.171 14 1HB GLU 1 2HB GLU 1 -1.924 -20.282 -4.374 15 2HB GLU 1 1HB GLU 1 -1.960 -22.016 -4.662 16 1HG GLU 1 2HG GLU 1 -0.077 -21.736 -6.252 17 2HG GLU 1 1HG GLU 1 -0.005 -20.033 -5.803 18 H GLU 2 H GLU 2 -3.215 -23.306 -6.077 19 HA GLU 2 HA GLU 2 -6.064 -23.110 -6.304 20 1HB GLU 2 2HB GLU 2 -4.503 -25.081 -6.961 21 2HB GLU 2 1HB GLU 2 -4.626 -25.535 -5.266 22 1HG GLU 2 2HG GLU 2 -7.129 -25.508 -5.562 23 2HG GLU 2 1HG GLU 2 -6.836 -25.358 -7.294 24 H VAL 3 H VAL 3 -7.325 -22.388 -4.730 25 HA VAL 3 HA VAL 3 -8.241 -21.987 -2.692 26 HB VAL 3 HB VAL 3 -6.759 -24.398 -1.649 27 1HG1 VAL 3 1HG1 VAL 3 -8.032 -24.169 0.159 28 2HG1 VAL 3 2HG1 VAL 3 -9.499 -24.079 -0.815 29 3HG1 VAL 3 3HG1 VAL 3 -8.571 -22.618 -0.482 30 1HG2 VAL 3 1HG2 VAL 3 -7.709 -25.360 -3.516 31 2HG2 VAL 3 2HG2 VAL 3 -9.074 -24.243 -3.530 32 3HG2 VAL 3 3HG2 VAL 3 -9.010 -25.544 -2.340 33 H GLU 4 H GLU 4 -5.422 -21.053 -3.369 34 HA GLU 4 HA GLU 4 -4.478 -20.527 -0.631 35 1HB GLU 4 2HB GLU 4 -3.098 -21.276 -3.037 36 2HB GLU 4 1HB GLU 4 -2.524 -19.704 -2.496 37 1HG GLU 4 2HG GLU 4 -2.754 -21.909 -0.512 38 2HG GLU 4 1HG GLU 4 -1.410 -21.913 -1.654 39 H GLN 5 H GLN 5 -5.678 -19.076 -3.544 40 HA GLN 5 HA GLN 5 -4.746 -16.442 -3.136 41 1HB GLN 5 2HB GLN 5 -6.495 -15.777 -4.726 42 2HB GLN 5 1HB GLN 5 -5.588 -17.164 -5.304 43 1HG GLN 5 2HG GLN 5 -7.497 -18.572 -4.341 44 2HG GLN 5 1HG GLN 5 -8.395 -17.056 -4.259 45 1HE2 GLN 5 1HE2 GLN 5 -8.212 -19.687 -6.023 46 2HE2 GLN 5 2HE2 GLN 5 -8.487 -19.059 -7.608 47 H THR 6 H THR 6 -7.632 -18.152 -2.037 48 HA THR 6 HA THR 6 -9.030 -15.946 -1.017 49 HB THR 6 HB THR 6 -9.380 -18.435 0.502 50 HG1 THR 6 1HG THR 6 -9.214 -19.708 -1.146 51 1HG2 THR 6 1HG2 THR 6 -11.266 -17.230 0.702 52 2HG2 THR 6 2HG2 THR 6 -11.691 -18.077 -0.785 53 3HG2 THR 6 3HG2 THR 6 -11.057 -16.434 -0.858 54 HA PRO 7 HA PRO 7 -7.084 -17.095 3.356 55 1HB PRO 7 2HB PRO 7 -4.574 -18.259 3.034 56 2HB PRO 7 1HB PRO 7 -6.043 -19.094 3.527 57 1HG PRO 7 2HG PRO 7 -4.760 -18.946 0.849 58 2HG PRO 7 1HG PRO 7 -5.612 -20.298 1.615 59 1HD PRO 7 2HD PRO 7 -6.758 -18.819 -0.308 60 2HD PRO 7 1HD PRO 7 -7.699 -19.465 1.052 61 H LEU 8 H LEU 8 -4.930 -16.501 0.606 62 HA LEU 8 HA LEU 8 -3.078 -14.832 1.854 63 1HB LEU 8 2HB LEU 8 -4.046 -15.059 -0.977 64 2HB LEU 8 1HB LEU 8 -2.906 -13.804 -0.531 65 HG LEU 8 HG LEU 8 -2.390 -16.733 -0.038 66 1HD1 LEU 8 1HD1 LEU 8 -0.793 -16.373 -2.038 67 2HD1 LEU 8 2HD1 LEU 8 -1.873 -15.041 -2.452 68 3HD1 LEU 8 3HD1 LEU 8 -2.500 -16.687 -2.351 69 1HD2 LEU 8 1HD2 LEU 8 -0.088 -16.027 0.215 70 2HD2 LEU 8 2HD2 LEU 8 -1.116 -15.126 1.328 71 3HD2 LEU 8 3HD2 LEU 8 -0.533 -14.360 -0.148 72 H GLN 9 H GLN 9 -6.242 -14.090 0.464 73 HA GLN 9 HA GLN 9 -6.116 -11.292 0.539 74 1HB GLN 9 2HB GLN 9 -7.892 -12.692 -0.569 75 2HB GLN 9 1HB GLN 9 -8.577 -12.979 1.024 76 1HG GLN 9 2HG GLN 9 -8.686 -10.416 1.205 77 2HG GLN 9 1HG GLN 9 -8.458 -10.433 -0.544 78 1HE2 GLN 9 1HE2 GLN 9 -10.279 -10.323 -1.643 79 2HE2 GLN 9 2HE2 GLN 9 -11.810 -10.958 -1.151 80 H GLU 10 H GLU 10 -7.090 -13.633 3.019 81 HA GLU 10 HA GLU 10 -7.966 -11.781 4.951 82 1HB GLU 10 2HB GLU 10 -8.473 -14.191 5.048 83 2HB GLU 10 1HB GLU 10 -6.779 -14.533 5.371 84 1HG GLU 10 2HG GLU 10 -7.643 -14.609 7.483 85 2HG GLU 10 1HG GLU 10 -7.144 -12.921 7.394 86 H ALA 11 H ALA 11 -4.795 -13.328 4.465 87 HA ALA 11 HA ALA 11 -3.506 -12.141 6.677 88 1HB ALA 11 1HB ALA 11 -1.874 -12.733 4.279 89 2HB ALA 11 2HB ALA 11 -2.792 -14.074 4.967 90 3HB ALA 11 3HB ALA 11 -1.630 -13.197 5.964 91 H LEU 12 H LEU 12 -3.666 -11.188 3.254 92 HA LEU 12 HA LEU 12 -2.024 -8.910 3.469 93 1HB LEU 12 2HB LEU 12 -4.197 -9.646 1.518 94 2HB LEU 12 1HB LEU 12 -3.247 -8.182 1.365 95 HG LEU 12 HG LEU 12 -1.819 -10.796 1.575 96 1HD1 LEU 12 1HD1 LEU 12 -3.793 -10.703 -0.212 97 2HD1 LEU 12 2HD1 LEU 12 -2.252 -11.498 -0.532 98 3HD1 LEU 12 3HD1 LEU 12 -2.546 -9.868 -1.137 99 1HD2 LEU 12 1HD2 LEU 12 -0.564 -9.315 -0.301 100 2HD2 LEU 12 2HD2 LEU 12 -0.206 -9.230 1.425 101 3HD2 LEU 12 3HD2 LEU 12 -1.278 -8.041 0.686 102 H ASN 13 H ASN 13 -5.542 -9.311 3.764 103 HA ASN 13 HA ASN 13 -6.230 -6.606 3.989 104 1HB ASN 13 2HB ASN 13 -7.509 -9.169 4.856 105 2HB ASN 13 1HB ASN 13 -8.171 -7.650 5.453 106 1HD2 ASN 13 1HD2 ASN 13 -9.506 -9.509 3.773 107 2HD2 ASN 13 2HD2 ASN 13 -9.841 -8.714 2.277 108 H GLN 14 H GLN 14 -5.113 -8.924 6.404 109 HA GLN 14 HA GLN 14 -5.582 -7.326 8.683 110 1HB GLN 14 2HB GLN 14 -4.905 -9.876 8.398 111 2HB GLN 14 1HB GLN 14 -3.286 -9.230 8.625 112 1HG GLN 14 2HG GLN 14 -3.819 -9.705 10.781 113 2HG GLN 14 1HG GLN 14 -4.412 -8.047 10.690 114 1HE2 GLN 14 1HE2 GLN 14 -5.468 -11.401 10.227 115 2HE2 GLN 14 2HE2 GLN 14 -7.070 -11.160 10.825 116 H LEU 15 H LEU 15 -2.714 -7.752 6.625 117 HA LEU 15 HA LEU 15 -0.969 -6.102 8.077 118 1HB LEU 15 2HB LEU 15 -1.006 -6.629 5.103 119 2HB LEU 15 1HB LEU 15 0.338 -5.952 5.999 120 HG LEU 15 HG LEU 15 -0.773 -8.736 6.367 121 1HD1 LEU 15 1HD1 LEU 15 1.891 -7.967 5.212 122 2HD1 LEU 15 2HD1 LEU 15 0.464 -8.231 4.211 123 3HD1 LEU 15 3HD1 LEU 15 1.104 -9.545 5.199 124 1HD2 LEU 15 1HD2 LEU 15 1.634 -8.798 7.535 125 2HD2 LEU 15 2HD2 LEU 15 0.152 -8.412 8.410 126 3HD2 LEU 15 3HD2 LEU 15 1.208 -7.116 7.850 127 H MET 16 H MET 16 -3.279 -5.352 5.497 128 HA MET 16 HA MET 16 -2.535 -2.643 5.166 129 1HB MET 16 2HB MET 16 -4.467 -4.412 4.066 130 2HB MET 16 1HB MET 16 -5.330 -2.991 4.636 131 1HG MET 16 2HG MET 16 -4.826 -2.370 2.498 132 2HG MET 16 1HG MET 16 -3.456 -1.692 3.374 133 1HE MET 16 1HE MET 16 -0.466 -3.579 2.415 134 2HE MET 16 2HE MET 16 -1.294 -2.485 3.521 135 3HE MET 16 3HE MET 16 -1.017 -2.003 1.848 136 H ARG 17 H ARG 17 -4.862 -4.242 7.307 137 HA ARG 17 HA ARG 17 -6.127 -1.930 8.286 138 1HB ARG 17 2HB ARG 17 -5.690 -4.657 9.498 139 2HB ARG 17 1HB ARG 17 -6.590 -3.395 10.329 140 1HG ARG 17 2HG ARG 17 -7.639 -3.586 7.713 141 2HG ARG 17 1HG ARG 17 -7.489 -5.225 8.345 142 1HD ARG 17 2HD ARG 17 -9.457 -4.822 9.330 143 2HD ARG 17 1HD ARG 17 -8.516 -3.888 10.493 144 HE ARG 17 HE ARG 17 -9.170 -2.227 8.332 145 1HH1 ARG 17 1HH1 ARG 17 -10.745 -3.866 10.995 146 2HH1 ARG 17 2HH1 ARG 17 -12.030 -2.711 11.104 147 1HH2 ARG 17 1HH2 ARG 17 -10.866 -0.708 8.484 148 2HH2 ARG 17 2HH2 ARG 17 -12.100 -0.923 9.681 149 H GLN 18 H GLN 18 -3.285 -3.708 9.475 150 HA GLN 18 HA GLN 18 -2.819 -1.986 11.696 151 1HB GLN 18 2HB GLN 18 -0.967 -3.893 10.250 152 2HB GLN 18 1HB GLN 18 -0.583 -3.086 11.765 153 1HG GLN 18 2HG GLN 18 -2.404 -4.234 12.875 154 2HG GLN 18 1HG GLN 18 -2.881 -4.987 11.354 155 1HE2 GLN 18 1HE2 GLN 18 -1.275 -6.402 10.326 156 2HE2 GLN 18 2HE2 GLN 18 -0.235 -7.338 11.339 157 H LEU 19 H LEU 19 -1.653 -2.098 8.371 158 HA LEU 19 HA LEU 19 0.340 -0.119 8.586 159 1HB LEU 19 2HB LEU 19 0.339 -1.573 6.702 160 2HB LEU 19 1HB LEU 19 -1.299 -1.127 6.268 161 HG LEU 19 HG LEU 19 0.610 1.110 6.267 162 1HD1 LEU 19 1HD1 LEU 19 0.959 -1.267 4.472 163 2HD1 LEU 19 2HD1 LEU 19 2.178 -0.392 5.399 164 3HD1 LEU 19 3HD1 LEU 19 1.448 0.355 3.980 165 1HD2 LEU 19 1HD2 LEU 19 -1.749 0.150 4.774 166 2HD2 LEU 19 2HD2 LEU 19 -0.575 1.094 3.857 167 3HD2 LEU 19 3HD2 LEU 19 -1.321 1.776 5.301 168 H GLN 20 H GLN 20 -3.091 0.078 7.668 169 HA GLN 20 HA GLN 20 -3.107 2.861 7.150 170 1HB GLN 20 2HB GLN 20 -5.062 0.702 7.330 171 2HB GLN 20 1HB GLN 20 -5.691 2.227 7.938 172 1HG GLN 20 2HG GLN 20 -5.003 3.293 5.803 173 2HG GLN 20 1HG GLN 20 -4.546 1.699 5.209 174 1HE2 GLN 20 1HE2 GLN 20 -6.107 0.267 4.585 175 2HE2 GLN 20 2HE2 GLN 20 -7.782 0.679 4.466 176 H ARG 21 H ARG 21 -3.767 0.945 10.038 177 HA ARG 21 HA ARG 21 -4.691 3.075 11.660 178 1HB ARG 21 2HB ARG 21 -3.818 0.268 12.102 179 2HB ARG 21 1HB ARG 21 -3.833 1.334 13.499 180 1HG ARG 21 2HG ARG 21 -6.234 1.893 12.824 181 2HG ARG 21 1HG ARG 21 -6.128 0.482 11.769 182 1HD ARG 21 2HD ARG 21 -5.726 -0.967 13.624 183 2HD ARG 21 1HD ARG 21 -5.531 0.399 14.722 184 HE ARG 21 HE ARG 21 -8.107 0.370 13.491 185 1HH1 ARG 21 1HH1 ARG 21 -6.224 -1.062 16.072 186 2HH1 ARG 21 2HH1 ARG 21 -7.607 -1.429 17.045 187 1HH2 ARG 21 1HH2 ARG 21 -9.930 -0.121 14.781 188 2HH2 ARG 21 2HH2 ARG 21 -9.709 -0.896 16.313 189 H LYS 22 H LYS 22 -1.530 2.240 10.617 190 HA LYS 22 HA LYS 22 0.160 2.813 12.662 191 1HB LYS 22 2HB LYS 22 0.874 2.150 10.408 192 2HB LYS 22 1HB LYS 22 0.455 3.743 9.800 193 1HG LYS 22 2HG LYS 22 2.695 4.000 10.072 194 2HG LYS 22 1HG LYS 22 2.144 4.529 11.661 195 1HD LYS 22 2HD LYS 22 2.989 2.703 12.712 196 2HD LYS 22 1HD LYS 22 2.666 1.635 11.343 197 1HE LYS 22 2HE LYS 22 4.560 2.959 10.175 198 2HE LYS 22 1HE LYS 22 4.992 3.464 11.810 199 1HZ LYS 22 1HZ LYS 22 4.629 0.607 11.156 200 2HZ LYS 22 2HZ LYS 22 5.501 1.302 12.429 201 3HZ LYS 22 3HZ LYS 22 6.101 1.387 10.849 202 H ASP 23 H ASP 23 -0.502 5.395 10.281 203 HA ASP 23 HA ASP 23 -1.574 7.335 11.842 204 1HB ASP 23 2HB ASP 23 1.129 6.873 12.676 205 2HB ASP 23 1HB ASP 23 0.997 8.489 11.993 206 HA PRO 24 HA PRO 24 0.912 9.494 8.233 207 1HB PRO 24 2HB PRO 24 2.101 7.116 6.943 208 2HB PRO 24 1HB PRO 24 2.826 8.687 7.283 209 1HG PRO 24 2HG PRO 24 3.502 6.511 8.686 210 2HG PRO 24 1HG PRO 24 3.390 8.106 9.449 211 1HD PRO 24 2HD PRO 24 1.460 5.829 9.543 212 2HD PRO 24 1HD PRO 24 1.956 6.950 10.825 213 H SER 25 H SER 25 -0.474 6.280 7.963 214 HA SER 25 HA SER 25 -1.369 6.352 5.317 215 1HB SER 25 2HB SER 25 -1.827 4.704 7.667 216 2HB SER 25 1HB SER 25 -3.292 4.883 6.701 217 HG SER 25 HG SER 25 -2.445 3.564 5.320 218 H ALA 26 H ALA 26 -2.653 7.856 8.197 219 HA ALA 26 HA ALA 26 -5.299 8.282 7.519 220 1HB ALA 26 1HB ALA 26 -3.743 9.039 9.586 221 2HB ALA 26 2HB ALA 26 -5.363 9.672 9.288 222 3HB ALA 26 3HB ALA 26 -3.949 10.584 8.759 223 H PHE 27 H PHE 27 -2.444 9.873 6.240 224 HA PHE 27 HA PHE 27 -3.910 12.012 4.997 225 1HB PHE 27 2HB PHE 27 -1.054 11.090 4.904 226 2HB PHE 27 1HB PHE 27 -1.642 12.291 3.761 227 HD1 PHE 27 1HD PHE 27 -2.385 11.825 7.392 228 HD2 PHE 27 2HD PHE 27 -0.700 14.303 4.367 229 HE1 PHE 27 1HE PHE 27 -2.017 13.600 9.054 230 HE2 PHE 27 2HE PHE 27 -0.328 16.079 6.027 231 HZ PHE 27 HZ PHE 27 -0.988 15.731 8.373 232 H PHE 28 H PHE 28 -2.799 8.819 4.028 233 HA PHE 28 HA PHE 28 -3.976 9.298 1.364 234 1HB PHE 28 2HB PHE 28 -1.688 7.455 2.097 235 2HB PHE 28 1HB PHE 28 -2.415 7.577 0.499 236 HD1 PHE 28 2HD PHE 28 -2.550 10.110 -0.379 237 HD2 PHE 28 1HD PHE 28 0.269 8.600 2.431 238 HE1 PHE 28 2HE PHE 28 -1.013 11.945 -0.941 239 HE2 PHE 28 1HE PHE 28 1.812 10.436 1.874 240 HZ PHE 28 HZ PHE 28 1.171 12.110 0.186 241 H SER 29 H SER 29 -5.400 8.414 3.718 242 HA SER 29 HA SER 29 -5.909 5.580 3.226 243 1HB SER 29 2HB SER 29 -6.060 7.308 5.527 244 2HB SER 29 1HB SER 29 -7.621 6.531 5.267 245 HG SER 29 HG SER 29 -5.785 5.425 6.523 246 H PHE 30 H PHE 30 -6.816 7.971 1.491 247 HA PHE 30 HA PHE 30 -9.499 6.950 1.036 248 1HB PHE 30 2HB PHE 30 -9.002 9.474 2.330 249 2HB PHE 30 1HB PHE 30 -9.747 9.757 0.760 250 HD1 PHE 30 1HD PHE 30 -10.152 7.804 3.894 251 HD2 PHE 30 2HD PHE 30 -12.044 9.523 0.492 252 HE1 PHE 30 1HE PHE 30 -12.354 7.266 4.851 253 HE2 PHE 30 2HE PHE 30 -14.249 8.990 1.442 254 HZ PHE 30 HZ PHE 30 -14.407 7.859 3.624 255 HA PRO 31 HA PRO 31 -8.364 7.314 -3.219 256 1HB PRO 31 2HB PRO 31 -11.108 8.320 -3.746 257 2HB PRO 31 1HB PRO 31 -10.276 6.915 -4.421 258 1HG PRO 31 2HG PRO 31 -12.212 6.618 -2.612 259 2HG PRO 31 1HG PRO 31 -10.777 5.575 -2.599 260 1HD PRO 31 2HD PRO 31 -11.441 7.908 -0.846 261 2HD PRO 31 1HD PRO 31 -10.674 6.364 -0.425 262 H VAL 32 H VAL 32 -7.051 8.934 -3.846 263 HA VAL 32 HA VAL 32 -7.308 11.606 -3.159 264 HB VAL 32 HB VAL 32 -5.726 12.127 -5.007 265 1HG1 VAL 32 1HG1 VAL 32 -5.153 9.952 -3.031 266 2HG1 VAL 32 2HG1 VAL 32 -4.729 11.662 -2.956 267 3HG1 VAL 32 3HG1 VAL 32 -3.897 10.594 -4.088 268 1HG2 VAL 32 1HG2 VAL 32 -4.791 9.736 -5.864 269 2HG2 VAL 32 2HG2 VAL 32 -5.914 10.757 -6.761 270 3HG2 VAL 32 3HG2 VAL 32 -6.524 9.426 -5.783 271 H THR 33 H THR 33 -7.991 13.445 -4.186 272 HA THR 33 HA THR 33 -9.411 13.244 -6.711 273 HB THR 33 HB THR 33 -10.960 14.697 -4.663 274 HG1 THR 33 1HG THR 33 -10.870 11.864 -4.586 275 1HG2 THR 33 1HG2 THR 33 -12.660 12.919 -5.783 276 2HG2 THR 33 2HG2 THR 33 -11.474 13.124 -7.072 277 3HG2 THR 33 3HG2 THR 33 -12.320 14.527 -6.420 278 H ASP 34 H ASP 34 -10.684 15.825 -6.416 279 HA ASP 34 HA ASP 34 -8.421 17.485 -6.992 280 1HB ASP 34 2HB ASP 34 -11.061 17.456 -7.767 281 2HB ASP 34 1HB ASP 34 -10.999 18.837 -6.681 282 H PHE 35 H PHE 35 -9.704 16.557 -4.094 283 HA PHE 35 HA PHE 35 -8.973 19.099 -2.795 284 1HB PHE 35 2HB PHE 35 -11.312 18.778 -2.447 285 2HB PHE 35 1HB PHE 35 -11.095 17.071 -2.084 286 HD1 PHE 35 2HD PHE 35 -10.061 16.398 0.073 287 HD2 PHE 35 1HD PHE 35 -11.127 20.428 -0.771 288 HE1 PHE 35 2HE PHE 35 -9.970 16.920 2.478 289 HE2 PHE 35 1HE PHE 35 -11.038 20.959 1.630 290 HZ PHE 35 HZ PHE 35 -10.460 19.204 3.257 291 H ILE 36 H ILE 36 -9.024 15.566 -2.524 292 HA ILE 36 HA ILE 36 -7.356 15.440 -0.229 293 HB ILE 36 HB ILE 36 -8.279 13.428 -2.258 294 1HG1 ILE 36 2HG1 ILE 36 -8.623 13.237 0.709 295 2HG1 ILE 36 1HG1 ILE 36 -9.606 14.382 -0.197 296 1HG2 ILE 36 1HG2 ILE 36 -6.257 12.986 -0.079 297 2HG2 ILE 36 2HG2 ILE 36 -6.080 12.680 -1.807 298 3HG2 ILE 36 3HG2 ILE 36 -7.170 11.685 -0.843 299 1HD1 ILE 36 1HD1 ILE 36 -9.457 11.424 -0.717 300 2HD1 ILE 36 2HD1 ILE 36 -10.480 12.584 -1.564 301 3HD1 ILE 36 3HD1 ILE 36 -10.749 12.257 0.148 302 H ALA 37 H ALA 37 -6.782 15.413 -3.705 303 HA ALA 37 HA ALA 37 -3.879 15.340 -3.184 304 1HB ALA 37 1HB ALA 37 -3.886 14.617 -5.710 305 2HB ALA 37 2HB ALA 37 -5.527 14.103 -5.335 306 3HB ALA 37 3HB ALA 37 -4.167 13.437 -4.433 307 HA PRO 38 HA PRO 38 -3.735 19.354 -5.017 308 1HB PRO 38 2HB PRO 38 -1.131 19.524 -5.670 309 2HB PRO 38 1HB PRO 38 -1.690 19.586 -3.995 310 1HG PRO 38 2HG PRO 38 -0.499 17.313 -5.523 311 2HG PRO 38 1HG PRO 38 -0.242 17.786 -3.835 312 1HD PRO 38 2HD PRO 38 -1.899 15.746 -4.629 313 2HD PRO 38 1HD PRO 38 -2.085 16.645 -3.113 314 H GLY 39 H GLY 39 -3.452 16.657 -6.781 315 1HA GLY 39 2HA GLY 39 -4.445 17.271 -9.129 316 2HA GLY 39 1HA GLY 39 -2.841 17.966 -9.320 317 H TYR 40 H TYR 40 -3.645 14.978 -7.610 318 HA TYR 40 HA TYR 40 -1.597 13.473 -8.768 319 1HB TYR 40 2HB TYR 40 -4.086 12.786 -7.259 320 2HB TYR 40 1HB TYR 40 -3.211 11.491 -8.072 321 HD1 TYR 40 1HD TYR 40 -1.945 14.504 -6.271 322 HD2 TYR 40 2HD TYR 40 -2.152 10.249 -6.397 323 HE1 TYR 40 1HE TYR 40 -0.407 14.377 -4.361 324 HE2 TYR 40 2HE TYR 40 -0.618 10.120 -4.489 325 HH TYR 40 HH TYR 40 0.167 11.462 -2.651 326 H SER 41 H SER 41 -5.044 13.641 -9.651 327 HA SER 41 HA SER 41 -4.948 11.746 -11.721 328 1HB SER 41 2HB SER 41 -7.048 12.735 -12.494 329 2HB SER 41 1HB SER 41 -7.037 12.604 -10.738 330 HG SER 41 HG SER 41 -6.825 14.898 -12.345 331 H MET 42 H MET 42 -3.930 15.068 -11.637 332 HA MET 42 HA MET 42 -3.833 15.348 -14.507 333 1HB MET 42 2HB MET 42 -3.834 17.105 -12.301 334 2HB MET 42 1HB MET 42 -2.307 17.359 -13.133 335 1HG MET 42 2HG MET 42 -3.285 18.403 -14.835 336 2HG MET 42 1HG MET 42 -4.568 17.200 -14.953 337 1HE MET 42 1HE MET 42 -5.891 20.585 -15.184 338 2HE MET 42 2HE MET 42 -4.159 20.265 -15.285 339 3HE MET 42 3HE MET 42 -4.790 21.311 -14.013 340 H ILE 43 H ILE 43 -1.517 14.630 -11.927 341 HA ILE 43 HA ILE 43 0.603 14.484 -13.973 342 HB ILE 43 HB ILE 43 0.957 16.141 -12.172 343 1HG1 ILE 43 2HG1 ILE 43 3.183 14.507 -11.469 344 2HG1 ILE 43 1HG1 ILE 43 2.757 14.150 -13.139 345 1HG2 ILE 43 1HG2 ILE 43 -0.150 14.670 -10.414 346 2HG2 ILE 43 2HG2 ILE 43 1.284 15.573 -9.938 347 3HG2 ILE 43 3HG2 ILE 43 1.408 13.852 -10.293 348 1HD1 ILE 43 1HD1 ILE 43 2.816 16.612 -13.578 349 2HD1 ILE 43 2HD1 ILE 43 4.367 15.878 -13.171 350 3HD1 ILE 43 3HD1 ILE 43 3.489 16.810 -11.960 351 H ILE 44 H ILE 44 -0.602 12.836 -11.059 352 HA ILE 44 HA ILE 44 0.956 10.461 -11.769 353 HB ILE 44 HB ILE 44 -0.236 11.494 -9.233 354 1HG1 ILE 44 2HG1 ILE 44 2.105 11.881 -9.652 355 2HG1 ILE 44 1HG1 ILE 44 1.949 10.719 -8.340 356 1HG2 ILE 44 1HG2 ILE 44 0.047 8.588 -9.896 357 2HG2 ILE 44 2HG2 ILE 44 -1.282 9.427 -9.097 358 3HG2 ILE 44 3HG2 ILE 44 0.234 9.169 -8.242 359 1HD1 ILE 44 1HD1 ILE 44 3.066 10.393 -11.047 360 2HD1 ILE 44 2HD1 ILE 44 2.165 9.023 -10.395 361 3HD1 ILE 44 3HD1 ILE 44 3.554 9.664 -9.517 362 H LYS 45 H LYS 45 -0.237 9.637 -13.444 363 HA LYS 45 HA LYS 45 -2.929 9.472 -13.807 364 1HB LYS 45 2HB LYS 45 -0.618 8.186 -14.900 365 2HB LYS 45 1HB LYS 45 -1.910 7.005 -14.736 366 1HG LYS 45 2HG LYS 45 -3.387 8.342 -16.064 367 2HG LYS 45 1HG LYS 45 -2.222 9.667 -16.105 368 1HD LYS 45 2HD LYS 45 -1.645 8.763 -18.091 369 2HD LYS 45 1HD LYS 45 -0.709 7.651 -17.091 370 1HE LYS 45 2HE LYS 45 -2.625 6.090 -17.094 371 2HE LYS 45 1HE LYS 45 -3.494 7.192 -18.161 372 1HZ LYS 45 1HZ LYS 45 -2.293 5.263 -19.240 373 2HZ LYS 45 2HZ LYS 45 -0.850 6.071 -18.885 374 3HZ LYS 45 3HZ LYS 45 -1.995 6.794 -19.898 375 H HIS 46 H HIS 46 -1.093 6.654 -12.548 376 HA HIS 46 HA HIS 46 -3.563 5.867 -11.154 377 1HB HIS 46 2HB HIS 46 -2.260 4.446 -13.067 378 2HB HIS 46 1HB HIS 46 -1.520 3.791 -11.611 379 HD1 HIS 46 1HD HIS 46 -3.213 1.923 -13.250 380 HD2 HIS 46 2HD HIS 46 -4.773 4.284 -10.207 381 HE1 HIS 46 1HE HIS 46 -5.333 0.778 -12.530 382 HE2 HIS 46 2HE HIS 46 -6.302 2.267 -10.743 383 HA PRO 47 HA PRO 47 -0.678 6.561 -7.673 384 1HB PRO 47 2HB PRO 47 -2.496 7.621 -5.993 385 2HB PRO 47 1HB PRO 47 -1.699 8.579 -7.245 386 1HG PRO 47 2HG PRO 47 -4.450 7.443 -7.188 387 2HG PRO 47 1HG PRO 47 -3.874 8.967 -7.883 388 1HD PRO 47 2HD PRO 47 -4.401 6.647 -9.318 389 2HD PRO 47 1HD PRO 47 -3.399 7.998 -9.880 390 H MET 48 H MET 48 -4.003 5.371 -7.429 391 HA MET 48 HA MET 48 -4.974 3.701 -6.240 392 1HB MET 48 2HB MET 48 -2.225 2.495 -6.585 393 2HB MET 48 1HB MET 48 -3.638 1.606 -6.033 394 1HG MET 48 2HG MET 48 -4.203 3.014 -8.480 395 2HG MET 48 1HG MET 48 -2.790 1.978 -8.661 396 1HE MET 48 1HE MET 48 -6.938 0.913 -7.298 397 2HE MET 48 2HE MET 48 -5.780 1.984 -6.513 398 3HE MET 48 3HE MET 48 -5.773 0.261 -6.146 399 H ASP 49 H ASP 49 -5.187 5.103 -4.414 400 HA ASP 49 HA ASP 49 -3.266 5.151 -2.312 401 1HB ASP 49 2HB ASP 49 -6.172 5.958 -2.452 402 2HB ASP 49 1HB ASP 49 -5.211 6.128 -0.988 403 H PHE 50 H PHE 50 -4.057 4.561 0.000 404 HA PHE 50 HA PHE 50 -4.224 1.754 0.154 405 1HB PHE 50 2HB PHE 50 -4.900 3.694 2.372 406 2HB PHE 50 1HB PHE 50 -4.359 2.025 2.541 407 HD1 PHE 50 2HD PHE 50 -2.129 1.934 0.622 408 HD2 PHE 50 1HD PHE 50 -3.252 4.949 3.407 409 HE1 PHE 50 2HE PHE 50 0.200 2.714 0.709 410 HE2 PHE 50 1HE PHE 50 -0.925 5.732 3.503 411 HZ PHE 50 HZ PHE 50 0.805 4.617 2.150 412 H SER 51 H SER 51 -6.711 4.247 0.275 413 HA SER 51 HA SER 51 -8.800 2.545 1.202 414 1HB SER 51 2HB SER 51 -8.809 5.075 1.285 415 2HB SER 51 1HB SER 51 -9.128 5.060 -0.446 416 HG SER 51 HG SER 51 -10.749 3.948 1.602 417 H THR 52 H THR 52 -7.685 3.561 -2.007 418 HA THR 52 HA THR 52 -9.751 2.204 -3.434 419 HB THR 52 HB THR 52 -7.026 3.022 -4.465 420 HG1 THR 52 1HG THR 52 -7.829 4.897 -3.770 421 1HG2 THR 52 1HG2 THR 52 -8.809 1.590 -5.827 422 2HG2 THR 52 2HG2 THR 52 -7.791 2.819 -6.576 423 3HG2 THR 52 3HG2 THR 52 -9.454 3.202 -6.132 424 H MET 53 H MET 53 -6.460 1.404 -2.437 425 HA MET 53 HA MET 53 -6.276 -1.057 -3.827 426 1HB MET 53 2HB MET 53 -4.763 0.287 -1.650 427 2HB MET 53 1HB MET 53 -4.576 -1.456 -1.788 428 1HG MET 53 2HG MET 53 -3.657 -1.304 -3.931 429 2HG MET 53 1HG MET 53 -4.213 0.355 -4.147 430 1HE MET 53 1HE MET 53 -1.653 -0.634 -0.701 431 2HE MET 53 2HE MET 53 -0.854 -1.507 -2.008 432 3HE MET 53 3HE MET 53 -2.559 -1.798 -1.666 433 H LYS 54 H LYS 54 -7.279 -0.213 -0.524 434 HA LYS 54 HA LYS 54 -7.625 -2.809 0.460 435 1HB LYS 54 2HB LYS 54 -8.617 -0.116 1.201 436 2HB LYS 54 1HB LYS 54 -9.523 -1.484 1.835 437 1HG LYS 54 2HG LYS 54 -6.746 -1.986 2.206 438 2HG LYS 54 1HG LYS 54 -7.116 -0.367 2.799 439 1HD LYS 54 2HD LYS 54 -7.621 -1.551 4.677 440 2HD LYS 54 1HD LYS 54 -9.185 -1.651 3.868 441 1HE LYS 54 2HE LYS 54 -8.894 -3.859 3.285 442 2HE LYS 54 1HE LYS 54 -7.135 -3.743 3.310 443 1HZ LYS 54 1HZ LYS 54 -8.315 -5.013 5.182 444 2HZ LYS 54 2HZ LYS 54 -8.686 -3.486 5.806 445 3HZ LYS 54 3HZ LYS 54 -7.071 -3.946 5.600 446 H GLU 55 H GLU 55 -9.901 -0.685 -1.249 447 HA GLU 55 HA GLU 55 -12.145 -2.384 -1.079 448 1HB GLU 55 2HB GLU 55 -11.832 0.122 -1.925 449 2HB GLU 55 1HB GLU 55 -11.755 -0.671 -3.491 450 1HG GLU 55 2HG GLU 55 -13.952 -0.946 -3.549 451 2HG GLU 55 1HG GLU 55 -13.971 -1.665 -1.941 452 H LYS 56 H LYS 56 -9.449 -2.195 -3.327 453 HA LYS 56 HA LYS 56 -10.454 -4.013 -5.253 454 1HB LYS 56 2HB LYS 56 -7.836 -2.769 -4.632 455 2HB LYS 56 1HB LYS 56 -7.794 -4.257 -5.565 456 1HG LYS 56 2HG LYS 56 -9.729 -2.824 -6.860 457 2HG LYS 56 1HG LYS 56 -8.600 -1.566 -6.350 458 1HD LYS 56 2HD LYS 56 -6.836 -3.334 -7.275 459 2HD LYS 56 1HD LYS 56 -8.220 -3.809 -8.260 460 1HE LYS 56 2HE LYS 56 -8.433 -1.577 -9.127 461 2HE LYS 56 1HE LYS 56 -7.183 -0.989 -8.033 462 1HZ LYS 56 1HZ LYS 56 -5.923 -1.294 -9.869 463 2HZ LYS 56 2HZ LYS 56 -6.921 -2.497 -10.514 464 3HZ LYS 56 3HZ LYS 56 -5.827 -2.879 -9.284 465 H ILE 57 H ILE 57 -8.407 -4.426 -2.369 466 HA ILE 57 HA ILE 57 -7.769 -7.131 -2.759 467 HB ILE 57 HB ILE 57 -8.269 -6.233 0.039 468 1HG1 ILE 57 2HG1 ILE 57 -6.176 -5.053 -1.784 469 2HG1 ILE 57 1HG1 ILE 57 -7.300 -4.218 -0.720 470 1HG2 ILE 57 1HG2 ILE 57 -6.432 -7.589 0.547 471 2HG2 ILE 57 2HG2 ILE 57 -5.834 -7.553 -1.112 472 3HG2 ILE 57 3HG2 ILE 57 -7.293 -8.462 -0.720 473 1HD1 ILE 57 1HD1 ILE 57 -5.833 -5.783 1.007 474 2HD1 ILE 57 2HD1 ILE 57 -5.611 -4.058 0.705 475 3HD1 ILE 57 3HD1 ILE 57 -4.648 -5.240 -0.181 476 H LYS 58 H LYS 58 -10.583 -5.614 -1.243 477 HA LYS 58 HA LYS 58 -11.776 -7.921 -0.196 478 1HB LYS 58 2HB LYS 58 -13.102 -5.418 -1.258 479 2HB LYS 58 1HB LYS 58 -13.888 -6.634 -0.261 480 1HG LYS 58 2HG LYS 58 -11.730 -6.026 1.268 481 2HG LYS 58 1HG LYS 58 -12.051 -4.476 0.488 482 1HD LYS 58 2HD LYS 58 -14.558 -5.196 1.194 483 2HD LYS 58 1HD LYS 58 -13.630 -5.961 2.486 484 1HE LYS 58 2HE LYS 58 -12.445 -3.565 2.476 485 2HE LYS 58 1HE LYS 58 -14.030 -3.092 1.867 486 1HZ LYS 58 1HZ LYS 58 -13.268 -4.063 4.505 487 2HZ LYS 58 2HZ LYS 58 -14.758 -4.604 3.915 488 3HZ LYS 58 3HZ LYS 58 -14.460 -2.946 4.064 489 H ASN 59 H ASN 59 -11.589 -6.762 -3.485 490 HA ASN 59 HA ASN 59 -13.597 -8.706 -4.371 491 1HB ASN 59 2HB ASN 59 -12.398 -6.239 -5.541 492 2HB ASN 59 1HB ASN 59 -12.973 -7.483 -6.643 493 1HD2 ASN 59 1HD2 ASN 59 -13.834 -4.789 -4.892 494 2HD2 ASN 59 2HD2 ASN 59 -15.551 -4.970 -4.949 495 H ASN 60 H ASN 60 -10.719 -9.301 -3.491 496 HA ASN 60 HA ASN 60 -9.067 -10.754 -4.063 497 1HB ASN 60 2HB ASN 60 -11.399 -11.716 -5.350 498 2HB ASN 60 1HB ASN 60 -10.089 -11.854 -6.517 499 1HD2 ASN 60 1HD2 ASN 60 -9.894 -12.117 -2.999 500 2HD2 ASN 60 2HD2 ASN 60 -9.375 -13.761 -2.978 501 H ASP 61 H ASP 61 -9.353 -8.016 -5.348 502 HA ASP 61 HA ASP 61 -8.019 -8.274 -7.888 503 1HB ASP 61 2HB ASP 61 -8.499 -5.841 -6.154 504 2HB ASP 61 1HB ASP 61 -7.893 -5.804 -7.801 505 H TYR 62 H TYR 62 -7.112 -7.868 -4.553 506 HA TYR 62 HA TYR 62 -4.286 -7.686 -5.358 507 1HB TYR 62 2HB TYR 62 -5.771 -6.377 -3.098 508 2HB TYR 62 1HB TYR 62 -4.038 -6.654 -2.986 509 HD1 TYR 62 2HD TYR 62 -2.687 -5.826 -5.147 510 HD2 TYR 62 1HD TYR 62 -6.479 -4.352 -3.912 511 HE1 TYR 62 2HE TYR 62 -2.286 -3.753 -6.403 512 HE2 TYR 62 1HE TYR 62 -6.087 -2.277 -5.168 513 HH TYR 62 HH TYR 62 -4.085 -1.877 -7.491 514 H GLN 63 H GLN 63 -3.709 -9.801 -5.268 515 HA GLN 63 HA GLN 63 -3.612 -11.027 -2.642 516 1HB GLN 63 2HB GLN 63 -4.682 -13.045 -3.240 517 2HB GLN 63 1HB GLN 63 -5.737 -11.768 -3.823 518 1HG GLN 63 2HG GLN 63 -4.576 -12.060 -6.070 519 2HG GLN 63 1HG GLN 63 -3.931 -13.560 -5.404 520 1HE2 GLN 63 1HE2 GLN 63 -5.373 -13.888 -7.564 521 2HE2 GLN 63 2HE2 GLN 63 -6.951 -14.494 -7.213 522 H SER 64 H SER 64 -1.829 -9.903 -4.829 523 HA SER 64 HA SER 64 0.010 -12.186 -4.954 524 1HB SER 64 2HB SER 64 -0.063 -10.092 -7.120 525 2HB SER 64 1HB SER 64 0.630 -11.711 -7.171 526 HG SER 64 HG SER 64 -1.600 -11.128 -8.169 527 H ILE 65 H ILE 65 1.987 -11.771 -4.229 528 HA ILE 65 HA ILE 65 2.613 -9.545 -2.727 529 HB ILE 65 HB ILE 65 4.999 -10.286 -2.941 530 1HG1 ILE 65 2HG1 ILE 65 3.815 -12.504 -4.620 531 2HG1 ILE 65 1HG1 ILE 65 4.828 -11.205 -5.243 532 1HG2 ILE 65 1HG2 ILE 65 4.712 -11.995 -1.442 533 2HG2 ILE 65 2HG2 ILE 65 3.348 -12.679 -2.324 534 3HG2 ILE 65 3HG2 ILE 65 3.133 -11.212 -1.371 535 1HD1 ILE 65 1HD1 ILE 65 6.223 -13.080 -4.997 536 2HD1 ILE 65 2HD1 ILE 65 5.599 -13.429 -3.385 537 3HD1 ILE 65 3HD1 ILE 65 6.611 -12.008 -3.652 538 H GLU 66 H GLU 66 3.289 -10.191 -6.139 539 HA GLU 66 HA GLU 66 4.886 -7.871 -6.551 540 1HB GLU 66 2HB GLU 66 4.367 -8.321 -9.003 541 2HB GLU 66 1HB GLU 66 5.195 -9.597 -8.125 542 1HG GLU 66 2HG GLU 66 2.304 -9.886 -8.037 543 2HG GLU 66 1HG GLU 66 2.939 -9.877 -9.680 544 H GLU 67 H GLU 67 1.430 -8.570 -6.940 545 HA GLU 67 HA GLU 67 0.763 -6.118 -8.193 546 1HB GLU 67 2HB GLU 67 -0.691 -8.098 -8.281 547 2HB GLU 67 1HB GLU 67 -0.971 -7.977 -6.551 548 1HG GLU 67 2HG GLU 67 -2.755 -6.756 -7.027 549 2HG GLU 67 1HG GLU 67 -1.655 -5.474 -7.528 550 H LEU 68 H LEU 68 0.580 -7.200 -4.806 551 HA LEU 68 HA LEU 68 -0.441 -4.787 -3.759 552 1HB LEU 68 2HB LEU 68 0.927 -7.179 -2.618 553 2HB LEU 68 1HB LEU 68 0.812 -5.745 -1.620 554 HG LEU 68 HG LEU 68 -1.011 -7.149 -1.041 555 1HD1 LEU 68 1HD1 LEU 68 -2.275 -5.159 -2.892 556 2HD1 LEU 68 2HD1 LEU 68 -1.423 -4.660 -1.434 557 3HD1 LEU 68 3HD1 LEU 68 -2.831 -5.714 -1.312 558 1HD2 LEU 68 1HD2 LEU 68 -0.929 -8.504 -3.133 559 2HD2 LEU 68 2HD2 LEU 68 -1.836 -7.223 -3.936 560 3HD2 LEU 68 3HD2 LEU 68 -2.557 -8.102 -2.588 561 H LYS 69 H LYS 69 2.872 -5.944 -4.239 562 HA LYS 69 HA LYS 69 4.124 -3.772 -2.896 563 1HB LYS 69 2HB LYS 69 5.010 -6.036 -4.598 564 2HB LYS 69 1HB LYS 69 6.093 -4.656 -4.492 565 1HG LYS 69 2HG LYS 69 6.557 -5.005 -2.287 566 2HG LYS 69 1HG LYS 69 4.997 -5.764 -1.965 567 1HD LYS 69 2HD LYS 69 6.045 -7.563 -3.672 568 2HD LYS 69 1HD LYS 69 7.526 -6.945 -2.933 569 1HE LYS 69 2HE LYS 69 5.859 -7.302 -0.774 570 2HE LYS 69 1HE LYS 69 5.440 -8.658 -1.817 571 1HZ LYS 69 1HZ LYS 69 7.432 -8.754 -0.097 572 2HZ LYS 69 2HZ LYS 69 8.283 -8.125 -1.416 573 3HZ LYS 69 3HZ LYS 69 7.468 -9.599 -1.562 574 H ASP 70 H ASP 70 3.553 -4.459 -6.350 575 HA ASP 70 HA ASP 70 4.879 -2.201 -7.352 576 1HB ASP 70 2HB ASP 70 3.969 -4.278 -8.603 577 2HB ASP 70 1HB ASP 70 2.464 -3.369 -8.709 578 H ASN 71 H ASN 71 1.446 -2.651 -6.519 579 HA ASN 71 HA ASN 71 0.702 -0.012 -7.289 580 1HB ASN 71 2HB ASN 71 -0.666 -2.180 -5.712 581 2HB ASN 71 1HB ASN 71 -1.389 -0.582 -5.890 582 1HD2 ASN 71 1HD2 ASN 71 -1.946 0.147 -7.992 583 2HD2 ASN 71 2HD2 ASN 71 -2.240 -0.979 -9.268 584 H PHE 72 H PHE 72 1.383 -1.516 -4.128 585 HA PHE 72 HA PHE 72 0.815 0.729 -2.541 586 1HB PHE 72 2HB PHE 72 1.091 -1.483 -1.561 587 2HB PHE 72 1HB PHE 72 2.774 -1.532 -2.066 588 HD1 PHE 72 1HD PHE 72 0.425 0.437 0.052 589 HD2 PHE 72 2HD PHE 72 4.429 -0.861 -0.592 590 HE1 PHE 72 1HE PHE 72 1.092 1.429 2.203 591 HE2 PHE 72 2HE PHE 72 5.098 0.129 1.556 592 HZ PHE 72 HZ PHE 72 3.430 1.277 2.956 593 H LYS 73 H LYS 73 3.905 -0.394 -3.909 594 HA LYS 73 HA LYS 73 5.445 1.765 -2.943 595 1HB LYS 73 2HB LYS 73 6.076 -0.583 -4.107 596 2HB LYS 73 1HB LYS 73 6.291 0.490 -5.481 597 1HG LYS 73 2HG LYS 73 7.625 1.869 -3.591 598 2HG LYS 73 1HG LYS 73 7.875 0.220 -3.015 599 1HD LYS 73 2HD LYS 73 9.503 0.003 -4.513 600 2HD LYS 73 1HD LYS 73 8.295 0.141 -5.790 601 1HE LYS 73 2HE LYS 73 8.775 2.335 -6.198 602 2HE LYS 73 1HE LYS 73 9.273 2.648 -4.536 603 1HZ LYS 73 1HZ LYS 73 10.835 1.648 -6.787 604 2HZ LYS 73 2HZ LYS 73 11.199 1.000 -5.267 605 3HZ LYS 73 3HZ LYS 73 11.294 2.670 -5.520 606 H LEU 74 H LEU 74 3.554 1.323 -5.892 607 HA LEU 74 HA LEU 74 4.568 3.482 -7.357 608 1HB LEU 74 2HB LEU 74 2.219 1.754 -7.477 609 2HB LEU 74 1HB LEU 74 1.887 3.380 -8.041 610 HG LEU 74 HG LEU 74 4.208 1.778 -9.095 611 1HD1 LEU 74 1HD1 LEU 74 2.605 1.447 -11.089 612 2HD1 LEU 74 2HD1 LEU 74 1.327 1.721 -9.905 613 3HD1 LEU 74 3HD1 LEU 74 2.455 0.382 -9.692 614 1HD2 LEU 74 1HD2 LEU 74 3.899 4.355 -9.350 615 2HD2 LEU 74 2HD2 LEU 74 2.695 3.899 -10.556 616 3HD2 LEU 74 3HD2 LEU 74 4.371 3.382 -10.743 617 H MET 75 H MET 75 1.844 3.388 -5.026 618 HA MET 75 HA MET 75 1.185 6.130 -5.363 619 1HB MET 75 2HB MET 75 -0.147 4.174 -4.181 620 2HB MET 75 1HB MET 75 0.676 4.780 -2.750 621 1HG MET 75 2HG MET 75 -0.811 6.664 -4.546 622 2HG MET 75 1HG MET 75 -1.671 5.689 -3.352 623 1HE MET 75 1HE MET 75 -0.897 5.578 -0.841 624 2HE MET 75 2HE MET 75 -0.048 6.875 -0.003 625 3HE MET 75 3HE MET 75 0.852 5.737 -1.004 626 H CYS 76 H CYS 76 3.310 4.423 -3.092 627 HA CYS 76 HA CYS 76 3.963 6.611 -1.456 628 1HB CYS 76 2HB CYS 76 5.214 3.980 -2.072 629 2HB CYS 76 1HB CYS 76 6.234 5.196 -1.314 630 HG CYS 76 HG CYS 76 3.628 4.740 0.189 631 H THR 77 H THR 77 5.496 5.374 -4.412 632 HA THR 77 HA THR 77 7.524 7.384 -4.497 633 HB THR 77 HB THR 77 6.477 5.639 -6.738 634 HG1 THR 77 1HG THR 77 7.235 4.264 -5.221 635 1HG2 THR 77 1HG2 THR 77 8.864 5.885 -7.549 636 2HG2 THR 77 2HG2 THR 77 8.984 7.252 -6.443 637 3HG2 THR 77 3HG2 THR 77 7.802 7.278 -7.751 638 H ASN 78 H ASN 78 4.307 7.018 -5.892 639 HA ASN 78 HA ASN 78 4.411 9.243 -7.640 640 1HB ASN 78 2HB ASN 78 2.150 7.682 -6.403 641 2HB ASN 78 1HB ASN 78 1.861 9.060 -7.448 642 1HD2 ASN 78 1HD2 ASN 78 0.709 7.185 -8.518 643 2HD2 ASN 78 2HD2 ASN 78 1.577 6.310 -9.714 644 H ALA 79 H ALA 79 3.566 8.851 -4.247 645 HA ALA 79 HA ALA 79 2.408 11.442 -3.937 646 1HB ALA 79 1HB ALA 79 3.503 9.559 -1.848 647 2HB ALA 79 2HB ALA 79 1.836 9.618 -2.421 648 3HB ALA 79 3HB ALA 79 2.512 10.985 -1.536 649 H MET 80 H MET 80 5.626 10.066 -3.300 650 HA MET 80 HA MET 80 6.677 12.457 -2.169 651 1HB MET 80 2HB MET 80 8.861 11.387 -2.353 652 2HB MET 80 1HB MET 80 7.674 10.268 -1.701 653 1HG MET 80 2HG MET 80 7.459 9.241 -3.926 654 2HG MET 80 1HG MET 80 8.713 10.325 -4.525 655 1HE MET 80 1HE MET 80 11.374 8.319 -4.677 656 2HE MET 80 2HE MET 80 11.788 9.522 -3.457 657 3HE MET 80 3HE MET 80 10.694 9.946 -4.773 658 H ILE 81 H ILE 81 6.609 11.140 -5.457 659 HA ILE 81 HA ILE 81 8.392 13.037 -6.571 660 HB ILE 81 HB ILE 81 7.837 10.945 -7.734 661 1HG1 ILE 81 2HG1 ILE 81 7.417 11.999 -10.021 662 2HG1 ILE 81 1HG1 ILE 81 7.289 13.538 -9.174 663 1HG2 ILE 81 1HG2 ILE 81 5.743 10.655 -8.906 664 2HG2 ILE 81 2HG2 ILE 81 5.158 12.205 -8.299 665 3HG2 ILE 81 3HG2 ILE 81 5.448 10.871 -7.182 666 1HD1 ILE 81 1HD1 ILE 81 9.587 12.393 -10.167 667 2HD1 ILE 81 2HD1 ILE 81 9.680 12.083 -8.434 668 3HD1 ILE 81 3HD1 ILE 81 9.493 13.734 -9.026 669 H TYR 82 H TYR 82 4.831 12.995 -6.264 670 HA TYR 82 HA TYR 82 4.749 15.726 -7.320 671 1HB TYR 82 2HB TYR 82 3.146 13.964 -8.160 672 2HB TYR 82 1HB TYR 82 2.396 13.984 -6.568 673 HD1 TYR 82 1HD TYR 82 3.682 16.910 -8.476 674 HD2 TYR 82 2HD TYR 82 0.256 14.817 -7.068 675 HE1 TYR 82 1HE TYR 82 2.255 18.783 -9.181 676 HE2 TYR 82 2HE TYR 82 -1.178 16.681 -7.772 677 HH TYR 82 HH TYR 82 -0.434 18.895 -9.869 678 H ASN 83 H ASN 83 5.931 15.268 -4.748 679 HA ASN 83 HA ASN 83 4.613 17.277 -3.261 680 1HB ASN 83 2HB ASN 83 3.266 15.044 -2.841 681 2HB ASN 83 1HB ASN 83 4.596 14.697 -1.740 682 1HD2 ASN 83 1HD2 ASN 83 1.637 16.218 -2.092 683 2HD2 ASN 83 2HD2 ASN 83 1.662 17.170 -0.652 684 H LYS 84 H LYS 84 6.661 18.181 -3.270 685 HA LYS 84 HA LYS 84 9.014 16.853 -2.426 686 1HB LYS 84 2HB LYS 84 8.213 19.633 -3.045 687 2HB LYS 84 1HB LYS 84 9.571 19.471 -1.941 688 1HG LYS 84 2HG LYS 84 10.202 17.696 -3.939 689 2HG LYS 84 1HG LYS 84 9.425 19.018 -4.812 690 1HD LYS 84 2HD LYS 84 10.989 20.592 -4.046 691 2HD LYS 84 1HD LYS 84 11.560 19.525 -2.761 692 1HE LYS 84 2HE LYS 84 12.165 17.987 -4.843 693 2HE LYS 84 1HE LYS 84 12.220 19.550 -5.657 694 1HZ LYS 84 1HZ LYS 84 14.344 18.615 -4.558 695 2HZ LYS 84 2HZ LYS 84 13.659 19.169 -3.114 696 3HZ LYS 84 3HZ LYS 84 13.977 20.257 -4.369 697 HA PRO 85 HA PRO 85 8.969 16.975 1.983 698 1HB PRO 85 2HB PRO 85 11.266 18.325 2.666 699 2HB PRO 85 1HB PRO 85 11.220 16.634 2.156 700 1HG PRO 85 2HG PRO 85 11.871 19.080 0.561 701 2HG PRO 85 1HG PRO 85 12.660 17.491 0.547 702 1HD PRO 85 2HD PRO 85 10.938 18.218 -1.373 703 2HD PRO 85 1HD PRO 85 11.009 16.547 -0.780 704 H GLU 86 H GLU 86 7.101 18.476 1.715 705 HA GLU 86 HA GLU 86 7.520 21.286 2.188 706 1HB GLU 86 2HB GLU 86 5.424 19.660 1.224 707 2HB GLU 86 1HB GLU 86 4.813 20.424 2.684 708 1HG GLU 86 2HG GLU 86 5.877 22.570 1.525 709 2HG GLU 86 1HG GLU 86 5.556 21.613 0.081 710 H THR 87 H THR 87 5.626 18.868 4.011 711 HA THR 87 HA THR 87 6.661 20.011 6.508 712 HB THR 87 HB THR 87 4.365 19.876 7.484 713 HG1 THR 87 1HG THR 87 3.658 19.348 4.790 714 1HG2 THR 87 1HG2 THR 87 3.516 21.686 5.548 715 2HG2 THR 87 2HG2 THR 87 5.273 21.832 5.594 716 3HG2 THR 87 3HG2 THR 87 4.333 22.043 7.070 717 H ILE 88 H ILE 88 4.066 17.649 6.095 718 HA ILE 88 HA ILE 88 5.864 15.566 7.146 719 HB ILE 88 HB ILE 88 2.918 15.734 7.770 720 1HG1 ILE 88 2HG1 ILE 88 4.478 16.244 10.088 721 2HG1 ILE 88 1HG1 ILE 88 5.051 17.335 8.834 722 1HG2 ILE 88 1HG2 ILE 88 3.232 13.684 8.563 723 2HG2 ILE 88 2HG2 ILE 88 4.368 14.343 9.741 724 3HG2 ILE 88 3HG2 ILE 88 4.952 13.763 8.181 725 1HD1 ILE 88 1HD1 ILE 88 2.236 17.074 9.861 726 2HD1 ILE 88 2HD1 ILE 88 2.713 18.080 8.492 727 3HD1 ILE 88 3HD1 ILE 88 3.345 18.424 10.101 728 H TYR 89 H TYR 89 4.031 16.463 4.505 729 HA TYR 89 HA TYR 89 2.706 14.087 3.797 730 1HB TYR 89 2HB TYR 89 3.900 16.190 1.975 731 2HB TYR 89 1HB TYR 89 2.727 14.971 1.495 732 HD1 TYR 89 1HD TYR 89 0.425 15.033 2.581 733 HD2 TYR 89 2HD TYR 89 3.206 18.241 2.871 734 HE1 TYR 89 1HE TYR 89 -1.407 16.559 3.173 735 HE2 TYR 89 2HE TYR 89 1.381 19.775 3.468 736 HH TYR 89 HH TYR 89 -0.950 19.552 4.520 737 H TYR 90 H TYR 90 5.966 15.267 2.985 738 HA TYR 90 HA TYR 90 6.706 13.041 1.405 739 1HB TYR 90 2HB TYR 90 7.841 15.333 1.521 740 2HB TYR 90 1HB TYR 90 8.641 14.742 2.972 741 HD1 TYR 90 1HD TYR 90 10.045 12.597 2.756 742 HD2 TYR 90 2HD TYR 90 8.728 14.871 -0.592 743 HE1 TYR 90 1HE TYR 90 11.787 11.556 1.369 744 HE2 TYR 90 2HE TYR 90 10.467 13.834 -1.987 745 HH TYR 90 HH TYR 90 11.898 11.199 -1.485 746 H LYS 91 H LYS 91 7.344 13.816 4.821 747 HA LYS 91 HA LYS 91 8.819 11.487 5.403 748 1HB LYS 91 2HB LYS 91 7.152 13.154 7.297 749 2HB LYS 91 1HB LYS 91 8.415 12.020 7.754 750 1HG LYS 91 2HG LYS 91 9.216 14.146 5.875 751 2HG LYS 91 1HG LYS 91 8.796 14.667 7.509 752 1HD LYS 91 2HD LYS 91 10.347 12.601 8.144 753 2HD LYS 91 1HD LYS 91 11.046 12.970 6.566 754 1HE LYS 91 2HE LYS 91 10.712 14.919 8.846 755 2HE LYS 91 1HE LYS 91 12.219 14.130 8.382 756 1HZ LYS 91 1HZ LYS 91 12.376 16.157 7.336 757 2HZ LYS 91 2HZ LYS 91 10.726 16.244 6.978 758 3HZ LYS 91 3HZ LYS 91 11.727 15.206 6.096 759 H ALA 92 H ALA 92 5.355 12.212 5.728 760 HA ALA 92 HA ALA 92 4.560 9.857 7.006 761 1HB ALA 92 1HB ALA 92 3.118 11.838 6.737 762 2HB ALA 92 2HB ALA 92 2.320 10.352 6.223 763 3HB ALA 92 3HB ALA 92 2.960 11.469 5.019 764 H ALA 93 H ALA 93 4.797 10.593 3.529 765 HA ALA 93 HA ALA 93 3.815 8.125 2.594 766 1HB ALA 93 1HB ALA 93 4.269 8.904 0.512 767 2HB ALA 93 2HB ALA 93 5.860 9.516 0.965 768 3HB ALA 93 3HB ALA 93 4.412 10.430 1.384 769 H LYS 94 H LYS 94 7.132 9.234 3.241 770 HA LYS 94 HA LYS 94 8.422 6.872 2.382 771 1HB LYS 94 2HB LYS 94 9.355 9.274 2.975 772 2HB LYS 94 1HB LYS 94 9.600 8.549 4.559 773 1HG LYS 94 2HG LYS 94 11.622 8.124 3.598 774 2HG LYS 94 1HG LYS 94 10.755 6.651 3.156 775 1HD LYS 94 2HD LYS 94 10.123 7.928 1.008 776 2HD LYS 94 1HD LYS 94 11.428 9.029 1.452 777 1HE LYS 94 2HE LYS 94 11.798 6.049 1.226 778 2HE LYS 94 1HE LYS 94 12.034 7.148 -0.132 779 1HZ LYS 94 1HZ LYS 94 14.114 6.640 1.009 780 2HZ LYS 94 2HZ LYS 94 13.502 7.282 2.450 781 3HZ LYS 94 3HZ LYS 94 13.749 8.289 1.113 782 H LYS 95 H LYS 95 7.409 7.962 5.624 783 HA LYS 95 HA LYS 95 8.366 5.741 7.050 784 1HB LYS 95 2HB LYS 95 6.402 7.905 7.565 785 2HB LYS 95 1HB LYS 95 6.281 6.474 8.579 786 1HG LYS 95 2HG LYS 95 8.931 6.925 8.721 787 2HG LYS 95 1HG LYS 95 8.342 8.574 8.499 788 1HD LYS 95 2HD LYS 95 8.135 8.503 10.750 789 2HD LYS 95 1HD LYS 95 6.606 7.712 10.367 790 1HE LYS 95 2HE LYS 95 7.632 6.354 11.999 791 2HE LYS 95 1HE LYS 95 7.873 5.519 10.465 792 1HZ LYS 95 1HZ LYS 95 9.919 7.307 11.652 793 2HZ LYS 95 2HZ LYS 95 10.115 6.199 10.390 794 3HZ LYS 95 3HZ LYS 95 9.862 5.647 11.968 795 H LEU 96 H LEU 96 5.285 6.300 5.403 796 HA LEU 96 HA LEU 96 3.938 4.014 6.349 797 1HB LEU 96 2HB LEU 96 3.201 6.132 4.861 798 2HB LEU 96 1HB LEU 96 3.378 4.942 3.586 799 HG LEU 96 HG LEU 96 1.057 5.170 4.452 800 1HD1 LEU 96 1HD1 LEU 96 2.061 2.426 5.092 801 2HD1 LEU 96 2HD1 LEU 96 2.107 3.053 3.443 802 3HD1 LEU 96 3HD1 LEU 96 0.568 2.911 4.291 803 1HD2 LEU 96 1HD2 LEU 96 0.512 4.976 6.607 804 2HD2 LEU 96 2HD2 LEU 96 2.230 5.200 6.931 805 3HD2 LEU 96 3HD2 LEU 96 1.554 3.574 6.840 806 H LEU 97 H LEU 97 6.054 4.531 3.552 807 HA LEU 97 HA LEU 97 5.716 2.027 2.323 808 1HB LEU 97 2HB LEU 97 6.885 4.091 1.394 809 2HB LEU 97 1HB LEU 97 8.279 3.616 2.341 810 HG LEU 97 HG LEU 97 8.365 2.970 -0.080 811 1HD1 LEU 97 1HD1 LEU 97 9.433 1.735 2.012 812 2HD1 LEU 97 2HD1 LEU 97 9.626 1.140 0.364 813 3HD1 LEU 97 3HD1 LEU 97 8.415 0.421 1.425 814 1HD2 LEU 97 1HD2 LEU 97 6.682 0.615 0.323 815 2HD2 LEU 97 2HD2 LEU 97 6.828 1.684 -1.071 816 3HD2 LEU 97 3HD2 LEU 97 5.792 2.137 0.283 817 H HIS 98 H HIS 98 7.965 3.117 4.840 818 HA HIS 98 HA HIS 98 9.504 0.780 5.023 819 1HB HIS 98 2HB HIS 98 9.187 3.226 6.530 820 2HB HIS 98 1HB HIS 98 9.350 1.852 7.620 821 HD1 HIS 98 1HD HIS 98 11.129 2.418 4.312 822 HD2 HIS 98 2HD HIS 98 11.959 2.025 8.365 823 HE1 HIS 98 1HE HIS 98 13.636 2.385 4.484 824 HE2 HIS 98 2HE HIS 98 14.113 2.049 6.934 825 H SER 99 H SER 99 6.467 1.702 6.582 826 HA SER 99 HA SER 99 6.319 -0.600 8.264 827 1HB SER 99 2HB SER 99 5.067 1.347 8.917 828 2HB SER 99 1HB SER 99 4.235 1.405 7.364 829 HG SER 99 HG SER 99 4.000 -0.856 9.036 830 H GLY 100 H GLY 100 5.012 0.236 5.076 831 1HA GLY 100 2HA GLY 100 3.423 -2.102 4.783 832 2HA GLY 100 1HA GLY 100 3.934 -1.032 3.489 833 H MET 101 H MET 101 6.761 -1.332 3.801 834 HA MET 101 HA MET 101 7.140 -3.703 2.309 835 1HB MET 101 2HB MET 101 9.498 -3.146 2.356 836 2HB MET 101 1HB MET 101 8.552 -1.708 2.032 837 1HG MET 101 2HG MET 101 8.824 -1.004 4.347 838 2HG MET 101 1HG MET 101 9.757 -2.459 4.688 839 1HE MET 101 1HE MET 101 12.979 -1.951 2.607 840 2HE MET 101 2HE MET 101 11.535 -2.564 1.803 841 3HE MET 101 3HE MET 101 11.921 -3.086 3.442 842 H LYS 102 H LYS 102 7.829 -2.875 5.706 843 HA LYS 102 HA LYS 102 9.105 -5.339 6.293 844 1HB LYS 102 2HB LYS 102 8.771 -4.726 8.677 845 2HB LYS 102 1HB LYS 102 9.537 -3.464 7.726 846 1HG LYS 102 2HG LYS 102 8.065 -2.168 8.818 847 2HG LYS 102 1HG LYS 102 6.992 -2.678 7.516 848 1HD LYS 102 2HD LYS 102 5.667 -3.148 9.321 849 2HD LYS 102 1HD LYS 102 6.516 -4.686 9.166 850 1HE LYS 102 2HE LYS 102 6.704 -4.231 11.427 851 2HE LYS 102 1HE LYS 102 8.231 -3.631 10.786 852 1HZ LYS 102 1HZ LYS 102 6.752 -1.440 10.599 853 2HZ LYS 102 2HZ LYS 102 7.646 -1.827 11.983 854 3HZ LYS 102 3HZ LYS 102 5.991 -2.167 11.926 855 H ILE 103 H ILE 103 5.734 -4.230 6.726 856 HA ILE 103 HA ILE 103 4.842 -6.593 7.983 857 HB ILE 103 HB ILE 103 2.568 -5.863 7.335 858 1HG1 ILE 103 2HG1 ILE 103 2.716 -3.324 6.443 859 2HG1 ILE 103 1HG1 ILE 103 4.114 -4.012 5.630 860 1HG2 ILE 103 1HG2 ILE 103 4.267 -4.782 9.186 861 2HG2 ILE 103 2HG2 ILE 103 2.524 -4.522 9.113 862 3HG2 ILE 103 3HG2 ILE 103 3.619 -3.359 8.370 863 1HD1 ILE 103 1HD1 ILE 103 1.252 -4.449 5.165 864 2HD1 ILE 103 2HD1 ILE 103 2.267 -5.889 5.075 865 3HD1 ILE 103 3HD1 ILE 103 2.610 -4.502 4.042 866 H LEU 104 H LEU 104 5.162 -5.647 4.605 867 HA LEU 104 HA LEU 104 3.670 -7.771 3.487 868 1HB LEU 104 2HB LEU 104 5.667 -5.813 2.495 869 2HB LEU 104 1HB LEU 104 5.416 -7.249 1.522 870 HG LEU 104 HG LEU 104 3.020 -5.700 2.391 871 1HD1 LEU 104 1HD1 LEU 104 3.338 -3.918 1.065 872 2HD1 LEU 104 2HD1 LEU 104 4.195 -4.849 -0.162 873 3HD1 LEU 104 3HD1 LEU 104 5.046 -4.297 1.279 874 1HD2 LEU 104 1HD2 LEU 104 3.568 -6.912 -0.292 875 2HD2 LEU 104 2HD2 LEU 104 2.023 -6.625 0.508 876 3HD2 LEU 104 3HD2 LEU 104 3.082 -7.919 1.073 877 H SER 105 H SER 105 6.984 -7.512 4.612 878 HA SER 105 HA SER 105 7.999 -9.859 3.410 879 1HB SER 105 2HB SER 105 8.859 -8.050 5.607 880 2HB SER 105 1HB SER 105 9.569 -9.665 5.571 881 HG SER 105 HG SER 105 10.863 -8.788 4.161 882 H GLN 106 H GLN 106 5.920 -9.373 6.140 883 HA GLN 106 HA GLN 106 6.457 -11.640 7.674 884 1HB GLN 106 2HB GLN 106 4.637 -9.599 7.795 885 2HB GLN 106 1HB GLN 106 3.606 -10.973 7.420 886 1HG GLN 106 2HG GLN 106 3.583 -11.398 9.593 887 2HG GLN 106 1HG GLN 106 5.256 -11.926 9.416 888 1HE2 GLN 106 1HE2 GLN 106 3.149 -9.636 10.787 889 2HE2 GLN 106 2HE2 GLN 106 4.345 -8.616 11.504 890 H GLU 107 H GLU 107 4.650 -11.294 4.679 891 HA GLU 107 HA GLU 107 3.457 -13.881 4.719 892 1HB GLU 107 2HB GLU 107 3.025 -11.668 3.247 893 2HB GLU 107 1HB GLU 107 4.015 -12.576 2.112 894 1HG GLU 107 2HG GLU 107 1.978 -14.253 3.264 895 2HG GLU 107 1HG GLU 107 1.276 -12.810 2.537 896 H ARG 108 H ARG 108 6.610 -12.706 3.849 897 HA ARG 108 HA ARG 108 7.272 -15.100 2.328 898 1HB ARG 108 2HB ARG 108 8.649 -12.501 2.892 899 2HB ARG 108 1HB ARG 108 9.598 -13.880 2.356 900 1HG ARG 108 2HG ARG 108 7.725 -13.969 0.483 901 2HG ARG 108 1HG ARG 108 7.603 -12.255 0.885 902 1HD ARG 108 2HD ARG 108 9.608 -11.767 -0.021 903 2HD ARG 108 1HD ARG 108 10.345 -13.261 0.556 904 HE ARG 108 HE ARG 108 8.486 -13.636 -1.610 905 1HH1 ARG 108 1HH1 ARG 108 11.819 -12.927 -0.788 906 2HH1 ARG 108 2HH1 ARG 108 12.441 -13.501 -2.297 907 1HH2 ARG 108 1HH2 ARG 108 9.319 -14.389 -3.599 908 2HH2 ARG 108 2HH2 ARG 108 11.025 -14.329 -3.891 909 H LEU 109 H LEU 109 6.644 -15.365 5.203 910 HA LEU 109 HA LEU 109 8.681 -17.162 5.930 911 1HB LEU 109 2HB LEU 109 9.324 -14.497 6.533 912 2HB LEU 109 1HB LEU 109 8.821 -15.207 8.056 913 HG LEU 109 HG LEU 109 10.735 -16.807 6.462 914 1HD1 LEU 109 1HD1 LEU 109 11.818 -14.784 6.039 915 2HD1 LEU 109 2HD1 LEU 109 12.615 -15.408 7.484 916 3HD1 LEU 109 3HD1 LEU 109 11.411 -14.126 7.624 917 1HD2 LEU 109 1HD2 LEU 109 10.457 -16.067 9.370 918 2HD2 LEU 109 2HD2 LEU 109 11.715 -17.119 8.724 919 3HD2 LEU 109 3HD2 LEU 109 10.023 -17.599 8.615 920 H GLU 110 H GLU 110 7.813 -18.624 7.283 921 HA GLU 110 HA GLU 110 5.577 -17.786 9.008 922 1HB GLU 110 2HB GLU 110 5.643 -19.896 6.928 923 2HB GLU 110 1HB GLU 110 4.855 -20.325 8.441 924 1HG GLU 110 2HG GLU 110 4.069 -17.716 7.375 925 2HG GLU 110 1HG GLU 110 3.656 -19.083 6.341 926 H HIS 111 H HIS 111 7.526 -20.717 8.366 927 HA HIS 111 HA HIS 111 7.460 -21.567 11.076 928 1HB HIS 111 2HB HIS 111 9.406 -22.418 8.921 929 2HB HIS 111 1HB HIS 111 9.021 -23.296 10.395 930 HD1 HIS 111 1HD HIS 111 8.652 -24.398 7.442 931 HD2 HIS 111 2HD HIS 111 5.653 -22.857 9.871 932 HE1 HIS 111 1HE HIS 111 6.510 -25.388 6.576 933 HE2 HIS 111 2HE HIS 111 4.700 -24.338 7.979 934 H HIS 112 H HIS 112 8.441 -20.541 12.686 935 HA HIS 112 HA HIS 112 11.013 -19.207 12.184 936 1HB HIS 112 2HB HIS 112 8.704 -18.628 13.935 937 2HB HIS 112 1HB HIS 112 10.285 -18.341 14.653 938 HD1 HIS 112 1HD HIS 112 8.501 -15.955 14.192 939 HD2 HIS 112 2HD HIS 112 11.201 -17.335 11.350 940 HE1 HIS 112 1HE HIS 112 8.972 -13.987 12.697 941 HE2 HIS 112 2HE HIS 112 10.700 -14.815 11.064 942 H HIS 113 H HIS 113 12.756 -19.475 13.613 943 HA HIS 113 HA HIS 113 12.585 -21.863 15.335 944 1HB HIS 113 2HB HIS 113 14.598 -21.065 13.303 945 2HB HIS 113 1HB HIS 113 15.214 -21.803 14.777 946 HD1 HIS 113 1HD HIS 113 13.435 -24.069 15.347 947 HD2 HIS 113 2HD HIS 113 14.392 -23.004 11.445 948 HE1 HIS 113 1HE HIS 113 13.034 -26.133 13.969 949 HE2 HIS 113 2HE HIS 113 13.534 -25.441 11.599 950 H HIS 114 H HIS 114 14.223 -18.738 14.866 951 HA HIS 114 HA HIS 114 14.549 -18.576 17.784 952 1HB HIS 114 2HB HIS 114 16.644 -18.776 15.893 953 2HB HIS 114 1HB HIS 114 16.635 -17.106 16.449 954 HD1 HIS 114 1HD HIS 114 15.743 -19.963 18.732 955 HD2 HIS 114 2HD HIS 114 18.917 -17.380 17.999 956 HE1 HIS 114 1HE HIS 114 17.346 -20.306 20.638 957 HE2 HIS 114 2HE HIS 114 19.222 -18.678 20.214 958 H HIS 115 H HIS 115 15.115 -16.489 14.943 959 HA HIS 115 HA HIS 115 12.964 -14.743 15.438 960 1HB HIS 115 2HB HIS 115 15.104 -14.311 17.196 961 2HB HIS 115 1HB HIS 115 15.260 -13.052 15.974 962 HD1 HIS 115 1HD HIS 115 12.375 -14.498 18.011 963 HD2 HIS 115 2HD HIS 115 13.882 -10.854 16.700 964 HE1 HIS 115 1HE HIS 115 10.824 -12.754 18.947 965 HE2 HIS 115 2HE HIS 115 11.706 -10.563 18.068 966 H HIS 116 H HIS 116 16.317 -14.869 14.254 967 HA HIS 116 HA HIS 116 15.384 -13.661 11.736 968 1HB HIS 116 2HB HIS 116 17.716 -12.980 13.444 969 2HB HIS 116 1HB HIS 116 17.991 -12.983 11.706 970 HD1 HIS 116 1HD HIS 116 15.685 -11.641 10.506 971 HD2 HIS 116 2HD HIS 116 17.172 -10.452 14.201 972 HE1 HIS 116 1HE HIS 116 14.898 -9.274 10.817 973 HE2 HIS 116 2HE HIS 116 15.891 -8.541 13.014 Start of MODEL 8 1 1H MET 0 1HT MET 0 -0.205 -28.796 -7.516 2 2H MET 0 2HT MET 0 -0.690 -28.425 -5.911 3 3H MET 0 3HT MET 0 0.574 -27.536 -6.656 4 HA MET 0 HA MET 0 -1.032 -26.804 -8.343 5 1HB MET 0 2HB MET 0 -2.666 -28.626 -6.753 6 2HB MET 0 1HB MET 0 -3.422 -27.051 -6.944 7 1HG MET 0 2HG MET 0 -3.449 -27.231 -9.288 8 2HG MET 0 1HG MET 0 -2.340 -28.600 -9.274 9 1HE MET 0 1HE MET 0 -5.512 -27.168 -8.097 10 2HE MET 0 2HE MET 0 -6.556 -28.519 -7.658 11 3HE MET 0 3HE MET 0 -6.473 -27.978 -9.334 12 H GLU 1 H GLU 1 -2.599 -24.924 -7.791 13 HA GLU 1 HA GLU 1 -1.722 -23.629 -5.293 14 1HB GLU 1 2HB GLU 1 -0.748 -22.818 -7.588 15 2HB GLU 1 1HB GLU 1 -2.313 -22.035 -7.762 16 1HG GLU 1 2HG GLU 1 -1.758 -20.404 -6.366 17 2HG GLU 1 1HG GLU 1 -1.131 -21.534 -5.165 18 H GLU 2 H GLU 2 -4.167 -25.152 -5.798 19 HA GLU 2 HA GLU 2 -6.294 -23.201 -6.019 20 1HB GLU 2 2HB GLU 2 -6.142 -25.855 -6.619 21 2HB GLU 2 1HB GLU 2 -6.957 -25.909 -5.062 22 1HG GLU 2 2HG GLU 2 -8.052 -23.907 -6.881 23 2HG GLU 2 1HG GLU 2 -8.162 -25.556 -7.491 24 H VAL 3 H VAL 3 -7.626 -22.493 -4.386 25 HA VAL 3 HA VAL 3 -8.255 -21.867 -2.295 26 HB VAL 3 HB VAL 3 -7.076 -24.453 -1.275 27 1HG1 VAL 3 1HG1 VAL 3 -8.037 -23.931 0.658 28 2HG1 VAL 3 2HG1 VAL 3 -9.589 -23.654 -0.130 29 3HG1 VAL 3 3HG1 VAL 3 -8.418 -22.343 -0.008 30 1HG2 VAL 3 1HG2 VAL 3 -9.065 -25.604 -1.838 31 2HG2 VAL 3 2HG2 VAL 3 -8.574 -24.747 -3.298 32 3HG2 VAL 3 3HG2 VAL 3 -9.884 -24.114 -2.303 33 H GLU 4 H GLU 4 -5.428 -21.447 -3.326 34 HA GLU 4 HA GLU 4 -4.007 -21.071 -0.787 35 1HB GLU 4 2HB GLU 4 -2.917 -22.286 -2.725 36 2HB GLU 4 1HB GLU 4 -2.894 -20.748 -3.574 37 1HG GLU 4 2HG GLU 4 -1.120 -20.027 -2.445 38 2HG GLU 4 1HG GLU 4 -1.766 -20.576 -0.899 39 H GLN 5 H GLN 5 -5.574 -19.356 -3.359 40 HA GLN 5 HA GLN 5 -4.334 -16.823 -2.922 41 1HB GLN 5 2HB GLN 5 -6.070 -15.930 -4.386 42 2HB GLN 5 1HB GLN 5 -5.369 -17.387 -5.073 43 1HG GLN 5 2HG GLN 5 -7.378 -18.594 -3.996 44 2HG GLN 5 1HG GLN 5 -8.082 -16.981 -3.878 45 1HE2 GLN 5 1HE2 GLN 5 -7.737 -19.677 -5.813 46 2HE2 GLN 5 2HE2 GLN 5 -8.224 -18.987 -7.319 47 H THR 6 H THR 6 -7.226 -18.410 -1.680 48 HA THR 6 HA THR 6 -8.493 -16.201 -0.541 49 HB THR 6 HB THR 6 -8.830 -18.512 1.150 50 HG1 THR 6 1HG THR 6 -9.335 -19.089 -1.568 51 1HG2 THR 6 1HG2 THR 6 -10.508 -16.887 -0.675 52 2HG2 THR 6 2HG2 THR 6 -10.724 -17.267 1.034 53 3HG2 THR 6 3HG2 THR 6 -11.093 -18.479 -0.193 54 HA PRO 7 HA PRO 7 -6.110 -17.342 3.647 55 1HB PRO 7 2HB PRO 7 -3.649 -18.396 2.337 56 2HB PRO 7 1HB PRO 7 -4.414 -18.878 3.856 57 1HG PRO 7 2HG PRO 7 -4.640 -20.397 1.683 58 2HG PRO 7 1HG PRO 7 -6.007 -20.184 2.795 59 1HD PRO 7 2HD PRO 7 -5.536 -18.967 0.111 60 2HD PRO 7 1HD PRO 7 -7.055 -19.500 0.859 61 H LEU 8 H LEU 8 -4.219 -16.533 0.732 62 HA LEU 8 HA LEU 8 -2.496 -14.672 1.951 63 1HB LEU 8 2HB LEU 8 -3.045 -15.614 -0.702 64 2HB LEU 8 1HB LEU 8 -2.936 -13.864 -0.726 65 HG LEU 8 HG LEU 8 -0.730 -14.373 0.696 66 1HD1 LEU 8 1HD1 LEU 8 -0.474 -16.625 -1.198 67 2HD1 LEU 8 2HD1 LEU 8 -1.444 -16.915 0.247 68 3HD1 LEU 8 3HD1 LEU 8 0.233 -16.395 0.402 69 1HD2 LEU 8 1HD2 LEU 8 -1.248 -13.356 -1.729 70 2HD2 LEU 8 2HD2 LEU 8 -0.379 -14.813 -2.205 71 3HD2 LEU 8 3HD2 LEU 8 0.385 -13.643 -1.132 72 H GLN 9 H GLN 9 -5.645 -14.276 0.371 73 HA GLN 9 HA GLN 9 -5.798 -11.492 0.356 74 1HB GLN 9 2HB GLN 9 -7.392 -13.176 -0.702 75 2HB GLN 9 1HB GLN 9 -8.143 -13.312 0.881 76 1HG GLN 9 2HG GLN 9 -8.272 -10.687 0.663 77 2HG GLN 9 1HG GLN 9 -8.184 -11.063 -1.057 78 1HE2 GLN 9 1HE2 GLN 9 -10.226 -10.597 -1.668 79 2HE2 GLN 9 2HE2 GLN 9 -11.634 -11.388 -1.056 80 H GLU 10 H GLU 10 -6.462 -13.800 2.949 81 HA GLU 10 HA GLU 10 -7.681 -12.023 4.758 82 1HB GLU 10 2HB GLU 10 -7.748 -14.469 5.019 83 2HB GLU 10 1HB GLU 10 -6.019 -14.485 5.341 84 1HG GLU 10 2HG GLU 10 -6.895 -14.602 7.457 85 2HG GLU 10 1HG GLU 10 -6.630 -12.868 7.278 86 H ALA 11 H ALA 11 -4.278 -12.994 4.362 87 HA ALA 11 HA ALA 11 -3.279 -11.387 6.476 88 1HB ALA 11 1HB ALA 11 -2.093 -12.900 4.221 89 2HB ALA 11 2HB ALA 11 -1.717 -12.949 5.943 90 3HB ALA 11 3HB ALA 11 -1.109 -11.628 4.945 91 H LEU 12 H LEU 12 -3.783 -10.810 3.023 92 HA LEU 12 HA LEU 12 -2.388 -8.409 2.764 93 1HB LEU 12 2HB LEU 12 -4.489 -9.820 1.279 94 2HB LEU 12 1HB LEU 12 -4.524 -8.079 1.074 95 HG LEU 12 HG LEU 12 -1.822 -8.950 0.782 96 1HD1 LEU 12 1HD1 LEU 12 -2.820 -11.153 0.275 97 2HD1 LEU 12 2HD1 LEU 12 -1.984 -10.437 -1.102 98 3HD1 LEU 12 3HD1 LEU 12 -3.746 -10.403 -1.025 99 1HD2 LEU 12 1HD2 LEU 12 -2.454 -8.161 -1.654 100 2HD2 LEU 12 2HD2 LEU 12 -2.320 -7.013 -0.323 101 3HD2 LEU 12 3HD2 LEU 12 -3.908 -7.581 -0.841 102 H ASN 13 H ASN 13 -5.803 -8.938 3.693 103 HA ASN 13 HA ASN 13 -6.378 -6.171 3.966 104 1HB ASN 13 2HB ASN 13 -8.487 -6.789 4.818 105 2HB ASN 13 1HB ASN 13 -8.078 -8.037 3.651 106 1HD2 ASN 13 1HD2 ASN 13 -8.475 -10.031 4.281 107 2HD2 ASN 13 2HD2 ASN 13 -8.539 -10.590 5.915 108 H GLN 14 H GLN 14 -5.116 -8.600 6.179 109 HA GLN 14 HA GLN 14 -5.450 -7.110 8.565 110 1HB GLN 14 2HB GLN 14 -4.136 -9.578 7.767 111 2HB GLN 14 1HB GLN 14 -3.166 -8.680 8.927 112 1HG GLN 14 2HG GLN 14 -4.421 -9.478 10.557 113 2HG GLN 14 1HG GLN 14 -5.809 -8.622 9.886 114 1HE2 GLN 14 1HE2 GLN 14 -7.307 -9.737 8.664 115 2HE2 GLN 14 2HE2 GLN 14 -7.352 -11.461 8.589 116 H LEU 15 H LEU 15 -2.701 -7.437 6.328 117 HA LEU 15 HA LEU 15 -0.966 -5.710 7.753 118 1HB LEU 15 2HB LEU 15 -0.937 -6.344 4.801 119 2HB LEU 15 1HB LEU 15 0.393 -5.689 5.736 120 HG LEU 15 HG LEU 15 -0.786 -8.373 6.395 121 1HD1 LEU 15 1HD1 LEU 15 1.388 -9.090 5.047 122 2HD1 LEU 15 2HD1 LEU 15 0.993 -7.627 4.145 123 3HD1 LEU 15 3HD1 LEU 15 -0.190 -8.928 4.275 124 1HD2 LEU 15 1HD2 LEU 15 0.992 -6.841 7.738 125 2HD2 LEU 15 2HD2 LEU 15 2.077 -7.785 6.718 126 3HD2 LEU 15 3HD2 LEU 15 0.956 -8.604 7.802 127 H MET 16 H MET 16 -3.404 -5.156 5.268 128 HA MET 16 HA MET 16 -2.694 -2.496 4.629 129 1HB MET 16 2HB MET 16 -5.205 -4.114 4.343 130 2HB MET 16 1HB MET 16 -5.235 -2.388 4.012 131 1HG MET 16 2HG MET 16 -3.406 -4.368 2.675 132 2HG MET 16 1HG MET 16 -4.914 -3.759 1.997 133 1HE MET 16 1HE MET 16 -0.833 -2.025 1.741 134 2HE MET 16 2HE MET 16 -1.537 -3.293 0.738 135 3HE MET 16 3HE MET 16 -1.367 -3.536 2.476 136 H ARG 17 H ARG 17 -4.920 -3.869 7.025 137 HA ARG 17 HA ARG 17 -5.966 -1.434 7.974 138 1HB ARG 17 2HB ARG 17 -5.846 -4.232 8.969 139 2HB ARG 17 1HB ARG 17 -6.181 -2.979 10.156 140 1HG ARG 17 2HG ARG 17 -7.914 -2.267 8.225 141 2HG ARG 17 1HG ARG 17 -7.850 -4.010 7.961 142 1HD ARG 17 2HD ARG 17 -8.035 -3.434 10.773 143 2HD ARG 17 1HD ARG 17 -9.328 -2.614 9.899 144 HE ARG 17 HE ARG 17 -9.009 -5.451 10.282 145 1HH1 ARG 17 1HH1 ARG 17 -10.516 -2.962 8.333 146 2HH1 ARG 17 2HH1 ARG 17 -11.794 -3.992 7.784 147 1HH2 ARG 17 1HH2 ARG 17 -10.691 -6.807 9.550 148 2HH2 ARG 17 2HH2 ARG 17 -11.893 -6.177 8.474 149 H GLN 18 H GLN 18 -3.136 -3.332 8.959 150 HA GLN 18 HA GLN 18 -2.450 -1.833 11.233 151 1HB GLN 18 2HB GLN 18 -0.727 -3.439 9.341 152 2HB GLN 18 1HB GLN 18 -0.136 -2.743 10.844 153 1HG GLN 18 2HG GLN 18 -1.853 -4.064 12.061 154 2HG GLN 18 1HG GLN 18 -2.271 -4.837 10.534 155 1HE2 GLN 18 1HE2 GLN 18 -1.488 -6.817 10.495 156 2HE2 GLN 18 2HE2 GLN 18 0.082 -7.302 11.028 157 H LEU 19 H LEU 19 -1.523 -1.451 7.825 158 HA LEU 19 HA LEU 19 0.280 0.689 8.229 159 1HB LEU 19 2HB LEU 19 -1.335 -0.059 5.790 160 2HB LEU 19 1HB LEU 19 -0.045 1.128 5.802 161 HG LEU 19 HG LEU 19 0.652 -1.576 6.796 162 1HD1 LEU 19 1HD1 LEU 19 0.728 -1.280 3.858 163 2HD1 LEU 19 2HD1 LEU 19 -0.849 -1.602 4.579 164 3HD1 LEU 19 3HD1 LEU 19 0.490 -2.717 4.853 165 1HD2 LEU 19 1HD2 LEU 19 2.066 0.657 6.292 166 2HD2 LEU 19 2HD2 LEU 19 2.225 -0.163 4.740 167 3HD2 LEU 19 3HD2 LEU 19 2.748 -0.968 6.218 168 H GLN 20 H GLN 20 -3.175 0.620 7.383 169 HA GLN 20 HA GLN 20 -3.488 3.420 7.153 170 1HB GLN 20 2HB GLN 20 -5.172 1.084 7.032 171 2HB GLN 20 1HB GLN 20 -5.957 2.335 7.986 172 1HG GLN 20 2HG GLN 20 -5.569 3.918 6.103 173 2HG GLN 20 1HG GLN 20 -4.969 2.559 5.153 174 1HE2 GLN 20 1HE2 GLN 20 -7.774 3.378 7.182 175 2HE2 GLN 20 2HE2 GLN 20 -8.952 2.694 6.120 176 H ARG 21 H ARG 21 -3.865 1.192 9.872 177 HA ARG 21 HA ARG 21 -4.881 3.156 11.680 178 1HB ARG 21 2HB ARG 21 -4.967 0.499 11.701 179 2HB ARG 21 1HB ARG 21 -3.530 0.703 12.690 180 1HG ARG 21 2HG ARG 21 -4.770 2.035 14.283 181 2HG ARG 21 1HG ARG 21 -6.207 1.965 13.261 182 1HD ARG 21 2HD ARG 21 -6.588 0.330 14.883 183 2HD ARG 21 1HD ARG 21 -6.010 -0.581 13.489 184 HE ARG 21 HE ARG 21 -3.930 0.167 15.333 185 1HH1 ARG 21 1HH1 ARG 21 -6.361 -2.244 14.592 186 2HH1 ARG 21 2HH1 ARG 21 -5.546 -3.507 15.450 187 1HH2 ARG 21 1HH2 ARG 21 -2.863 -1.504 16.465 188 2HH2 ARG 21 2HH2 ARG 21 -3.562 -3.088 16.513 189 H LYS 22 H LYS 22 -1.715 2.437 10.567 190 HA LYS 22 HA LYS 22 -0.085 2.888 12.732 191 1HB LYS 22 2HB LYS 22 0.243 2.760 9.949 192 2HB LYS 22 1HB LYS 22 0.954 4.294 10.424 193 1HG LYS 22 2HG LYS 22 1.995 2.642 12.302 194 2HG LYS 22 1HG LYS 22 1.860 1.552 10.920 195 1HD LYS 22 2HD LYS 22 3.268 2.870 9.596 196 2HD LYS 22 1HD LYS 22 3.092 4.277 10.645 197 1HE LYS 22 2HE LYS 22 4.532 3.418 12.250 198 2HE LYS 22 1HE LYS 22 4.311 1.758 11.700 199 1HZ LYS 22 1HZ LYS 22 5.414 2.931 9.540 200 2HZ LYS 22 2HZ LYS 22 6.280 2.077 10.716 201 3HZ LYS 22 3HZ LYS 22 6.180 3.761 10.800 202 H ASP 23 H ASP 23 -0.733 5.509 10.377 203 HA ASP 23 HA ASP 23 -1.804 7.426 11.967 204 1HB ASP 23 2HB ASP 23 0.821 6.931 12.893 205 2HB ASP 23 1HB ASP 23 0.848 8.498 12.096 206 HA PRO 24 HA PRO 24 0.592 9.826 8.501 207 1HB PRO 24 2HB PRO 24 2.312 8.284 7.015 208 2HB PRO 24 1HB PRO 24 2.801 9.270 8.397 209 1HG PRO 24 2HG PRO 24 2.215 6.340 8.276 210 2HG PRO 24 1HG PRO 24 3.519 7.183 9.127 211 1HD PRO 24 2HD PRO 24 1.343 6.285 10.396 212 2HD PRO 24 1HD PRO 24 2.129 7.798 10.877 213 H SER 25 H SER 25 -0.376 6.476 8.054 214 HA SER 25 HA SER 25 -1.016 6.663 5.295 215 1HB SER 25 2HB SER 25 -0.650 4.510 6.494 216 2HB SER 25 1HB SER 25 -2.179 4.756 7.336 217 HG SER 25 HG SER 25 -3.251 4.615 5.371 218 H ALA 26 H ALA 26 -2.646 7.746 8.142 219 HA ALA 26 HA ALA 26 -5.318 7.641 7.351 220 1HB ALA 26 1HB ALA 26 -4.064 8.502 9.565 221 2HB ALA 26 2HB ALA 26 -5.747 8.876 9.193 222 3HB ALA 26 3HB ALA 26 -4.482 10.052 8.833 223 H PHE 27 H PHE 27 -2.758 9.832 6.373 224 HA PHE 27 HA PHE 27 -4.420 11.852 5.265 225 1HB PHE 27 2HB PHE 27 -1.589 11.184 4.432 226 2HB PHE 27 1HB PHE 27 -2.425 12.716 4.222 227 HD1 PHE 27 1HD PHE 27 -3.557 13.363 6.748 228 HD2 PHE 27 2HD PHE 27 0.133 11.410 5.920 229 HE1 PHE 27 1HE PHE 27 -2.663 14.145 8.903 230 HE2 PHE 27 2HE PHE 27 1.031 12.186 8.075 231 HZ PHE 27 HZ PHE 27 -0.366 13.556 9.569 232 H PHE 28 H PHE 28 -2.804 9.011 3.850 233 HA PHE 28 HA PHE 28 -4.225 9.513 1.326 234 1HB PHE 28 2HB PHE 28 -2.058 7.462 1.790 235 2HB PHE 28 1HB PHE 28 -2.647 8.082 0.252 236 HD1 PHE 28 1HD PHE 28 -2.465 10.778 0.116 237 HD2 PHE 28 2HD PHE 28 -0.009 8.216 2.465 238 HE1 PHE 28 1HE PHE 28 -0.700 12.491 0.133 239 HE2 PHE 28 2HE PHE 28 1.759 9.925 2.486 240 HZ PHE 28 HZ PHE 28 1.416 12.066 1.320 241 H SER 29 H SER 29 -5.215 8.206 3.958 242 HA SER 29 HA SER 29 -5.752 5.490 3.418 243 1HB SER 29 2HB SER 29 -5.926 6.189 5.680 244 2HB SER 29 1HB SER 29 -7.010 7.516 5.268 245 HG SER 29 HG SER 29 -7.906 4.965 4.623 246 H PHE 30 H PHE 30 -7.152 8.382 2.204 247 HA PHE 30 HA PHE 30 -9.326 6.835 0.972 248 1HB PHE 30 2HB PHE 30 -10.331 9.336 0.920 249 2HB PHE 30 1HB PHE 30 -10.655 8.200 2.220 250 HD1 PHE 30 2HD PHE 30 -8.073 10.729 1.271 251 HD2 PHE 30 1HD PHE 30 -10.419 8.985 4.367 252 HE1 PHE 30 2HE PHE 30 -7.126 12.326 2.886 253 HE2 PHE 30 1HE PHE 30 -9.476 10.581 5.983 254 HZ PHE 30 HZ PHE 30 -7.826 12.253 5.244 255 HA PRO 31 HA PRO 31 -7.949 8.229 -2.969 256 1HB PRO 31 2HB PRO 31 -10.246 8.941 -4.255 257 2HB PRO 31 1HB PRO 31 -9.779 7.265 -3.951 258 1HG PRO 31 2HG PRO 31 -11.700 9.000 -2.454 259 2HG PRO 31 1HG PRO 31 -11.847 7.291 -2.900 260 1HD PRO 31 2HD PRO 31 -11.143 8.092 -0.413 261 2HD PRO 31 1HD PRO 31 -10.545 6.586 -1.137 262 H VAL 32 H VAL 32 -6.903 10.022 -3.528 263 HA VAL 32 HA VAL 32 -7.354 12.526 -2.376 264 HB VAL 32 HB VAL 32 -5.869 13.421 -4.230 265 1HG1 VAL 32 1HG1 VAL 32 -3.927 11.822 -3.372 266 2HG1 VAL 32 2HG1 VAL 32 -5.170 11.382 -2.201 267 3HG1 VAL 32 3HG1 VAL 32 -4.656 13.063 -2.352 268 1HG2 VAL 32 1HG2 VAL 32 -4.773 10.953 -5.041 269 2HG2 VAL 32 2HG2 VAL 32 -5.562 12.179 -6.033 270 3HG2 VAL 32 3HG2 VAL 32 -6.512 10.877 -5.318 271 H THR 33 H THR 33 -7.854 14.573 -3.509 272 HA THR 33 HA THR 33 -9.816 14.235 -5.671 273 HB THR 33 HB THR 33 -10.447 16.366 -3.742 274 HG1 THR 33 1HG THR 33 -10.719 13.646 -2.976 275 1HG2 THR 33 1HG2 THR 33 -11.871 14.513 -5.485 276 2HG2 THR 33 2HG2 THR 33 -12.281 16.152 -4.979 277 3HG2 THR 33 3HG2 THR 33 -12.646 14.786 -3.925 278 H ASP 34 H ASP 34 -10.568 16.789 -6.124 279 HA ASP 34 HA ASP 34 -8.298 17.895 -7.433 280 1HB ASP 34 2HB ASP 34 -11.019 18.044 -7.784 281 2HB ASP 34 1HB ASP 34 -10.635 19.646 -7.169 282 H PHE 35 H PHE 35 -9.222 18.109 -4.231 283 HA PHE 35 HA PHE 35 -7.852 20.697 -3.931 284 1HB PHE 35 2HB PHE 35 -9.205 21.146 -1.943 285 2HB PHE 35 1HB PHE 35 -10.220 20.943 -3.362 286 HD1 PHE 35 2HD PHE 35 -11.216 18.542 -3.703 287 HD2 PHE 35 1HD PHE 35 -9.726 20.025 -0.000 288 HE1 PHE 35 2HE PHE 35 -12.550 16.864 -2.494 289 HE2 PHE 35 1HE PHE 35 -11.060 18.352 1.211 290 HZ PHE 35 HZ PHE 35 -12.475 16.768 -0.036 291 H ILE 36 H ILE 36 -8.437 17.489 -2.581 292 HA ILE 36 HA ILE 36 -6.615 17.724 -0.420 293 HB ILE 36 HB ILE 36 -7.961 15.417 -1.789 294 1HG1 ILE 36 2HG1 ILE 36 -8.008 16.191 1.121 295 2HG1 ILE 36 1HG1 ILE 36 -9.056 16.964 -0.063 296 1HG2 ILE 36 1HG2 ILE 36 -5.667 15.292 0.113 297 2HG2 ILE 36 2HG2 ILE 36 -6.000 14.316 -1.318 298 3HG2 ILE 36 3HG2 ILE 36 -6.921 14.053 0.163 299 1HD1 ILE 36 1HD1 ILE 36 -10.270 15.031 -0.437 300 2HD1 ILE 36 2HD1 ILE 36 -9.966 14.991 1.300 301 3HD1 ILE 36 3HD1 ILE 36 -9.003 13.991 0.212 302 H ALA 37 H ALA 37 -6.330 16.774 -3.790 303 HA ALA 37 HA ALA 37 -3.452 16.265 -3.411 304 1HB ALA 37 1HB ALA 37 -3.924 15.349 -5.899 305 2HB ALA 37 2HB ALA 37 -5.500 15.067 -5.162 306 3HB ALA 37 3HB ALA 37 -4.053 14.352 -4.450 307 HA PRO 38 HA PRO 38 -2.696 19.899 -5.822 308 1HB PRO 38 2HB PRO 38 -0.052 19.091 -6.499 309 2HB PRO 38 1HB PRO 38 -0.544 20.178 -5.202 310 1HG PRO 38 2HG PRO 38 0.564 17.663 -4.851 311 2HG PRO 38 1HG PRO 38 -0.363 18.549 -3.631 312 1HD PRO 38 2HD PRO 38 -1.218 16.329 -5.425 313 2HD PRO 38 1HD PRO 38 -1.703 16.685 -3.754 314 H GLY 39 H GLY 39 -3.133 17.051 -7.177 315 1HA GLY 39 2HA GLY 39 -3.991 17.385 -9.561 316 2HA GLY 39 1HA GLY 39 -2.337 17.885 -9.884 317 H TYR 40 H TYR 40 -3.378 15.237 -7.773 318 HA TYR 40 HA TYR 40 -1.525 13.395 -8.745 319 1HB TYR 40 2HB TYR 40 -4.085 13.126 -7.204 320 2HB TYR 40 1HB TYR 40 -3.317 11.673 -7.834 321 HD1 TYR 40 1HD TYR 40 -2.051 14.781 -6.184 322 HD2 TYR 40 2HD TYR 40 -2.178 10.517 -6.148 323 HE1 TYR 40 1HE TYR 40 -0.584 14.754 -4.217 324 HE2 TYR 40 2HE TYR 40 -0.707 10.494 -4.186 325 HH TYR 40 HH TYR 40 -0.185 13.005 -2.232 326 H SER 41 H SER 41 -4.960 13.786 -9.631 327 HA SER 41 HA SER 41 -5.113 11.678 -11.461 328 1HB SER 41 2HB SER 41 -6.890 13.495 -10.498 329 2HB SER 41 1HB SER 41 -6.688 14.075 -12.152 330 HG SER 41 HG SER 41 -8.181 12.580 -12.447 331 H MET 42 H MET 42 -3.639 14.819 -11.839 332 HA MET 42 HA MET 42 -3.574 14.619 -14.734 333 1HB MET 42 2HB MET 42 -3.726 16.751 -13.105 334 2HB MET 42 1HB MET 42 -1.985 16.699 -13.345 335 1HG MET 42 2HG MET 42 -2.123 17.347 -15.494 336 2HG MET 42 1HG MET 42 -3.624 16.467 -15.781 337 1HE MET 42 1HE MET 42 -3.026 18.855 -17.099 338 2HE MET 42 2HE MET 42 -3.714 20.386 -16.560 339 3HE MET 42 3HE MET 42 -4.769 19.112 -17.170 340 H ILE 43 H ILE 43 -1.155 14.705 -12.093 341 HA ILE 43 HA ILE 43 0.952 14.001 -13.978 342 HB ILE 43 HB ILE 43 1.267 15.735 -12.200 343 1HG1 ILE 43 2HG1 ILE 43 3.502 14.476 -11.367 344 2HG1 ILE 43 1HG1 ILE 43 3.065 13.435 -12.718 345 1HG2 ILE 43 1HG2 ILE 43 0.337 13.682 -10.510 346 2HG2 ILE 43 2HG2 ILE 43 0.827 15.311 -10.080 347 3HG2 ILE 43 3HG2 ILE 43 2.010 14.004 -10.065 348 1HD1 ILE 43 1HD1 ILE 43 4.441 15.869 -12.791 349 2HD1 ILE 43 2HD1 ILE 43 2.860 16.174 -13.510 350 3HD1 ILE 43 3HD1 ILE 43 3.890 14.895 -14.153 351 H ILE 44 H ILE 44 -0.795 12.535 -11.302 352 HA ILE 44 HA ILE 44 0.724 10.054 -11.704 353 HB ILE 44 HB ILE 44 -0.445 11.332 -9.263 354 1HG1 ILE 44 2HG1 ILE 44 1.887 11.645 -9.564 355 2HG1 ILE 44 1HG1 ILE 44 1.715 10.435 -8.302 356 1HG2 ILE 44 1HG2 ILE 44 -1.572 9.312 -9.028 357 2HG2 ILE 44 2HG2 ILE 44 -0.092 9.069 -8.107 358 3HG2 ILE 44 3HG2 ILE 44 -0.248 8.377 -9.722 359 1HD1 ILE 44 1HD1 ILE 44 2.810 10.192 -11.038 360 2HD1 ILE 44 2HD1 ILE 44 1.950 8.800 -10.382 361 3HD1 ILE 44 3HD1 ILE 44 3.345 9.458 -9.528 362 H LYS 45 H LYS 45 -0.563 9.375 -13.418 363 HA LYS 45 HA LYS 45 -3.264 9.310 -13.709 364 1HB LYS 45 2HB LYS 45 -1.090 8.125 -14.974 365 2HB LYS 45 1HB LYS 45 -2.136 6.776 -14.548 366 1HG LYS 45 2HG LYS 45 -3.840 8.731 -15.585 367 2HG LYS 45 1HG LYS 45 -2.424 8.733 -16.639 368 1HD LYS 45 2HD LYS 45 -3.765 6.167 -15.840 369 2HD LYS 45 1HD LYS 45 -4.369 7.131 -17.189 370 1HE LYS 45 2HE LYS 45 -1.493 6.270 -16.994 371 2HE LYS 45 1HE LYS 45 -2.728 5.254 -17.733 372 1HZ LYS 45 1HZ LYS 45 -3.226 7.238 -19.194 373 2HZ LYS 45 2HZ LYS 45 -1.755 6.453 -19.479 374 3HZ LYS 45 3HZ LYS 45 -1.782 7.913 -18.627 375 H HIS 46 H HIS 46 -1.441 6.537 -12.327 376 HA HIS 46 HA HIS 46 -3.944 5.737 -10.999 377 1HB HIS 46 2HB HIS 46 -2.167 4.275 -12.662 378 2HB HIS 46 1HB HIS 46 -2.065 3.587 -11.046 379 HD1 HIS 46 1HD HIS 46 -4.692 3.263 -9.990 380 HD2 HIS 46 2HD HIS 46 -4.097 3.071 -14.098 381 HE1 HIS 46 1HE HIS 46 -6.681 2.026 -10.900 382 HE2 HIS 46 2HE HIS 46 -6.248 1.830 -13.375 383 HA PRO 47 HA PRO 47 -1.208 6.738 -7.449 384 1HB PRO 47 2HB PRO 47 -3.128 7.853 -5.917 385 2HB PRO 47 1HB PRO 47 -2.294 8.754 -7.186 386 1HG PRO 47 2HG PRO 47 -5.014 7.535 -7.199 387 2HG PRO 47 1HG PRO 47 -4.456 9.050 -7.926 388 1HD PRO 47 2HD PRO 47 -4.843 6.686 -9.306 389 2HD PRO 47 1HD PRO 47 -3.808 8.019 -9.847 390 H MET 48 H MET 48 -4.504 5.467 -7.317 391 HA MET 48 HA MET 48 -5.531 3.899 -6.048 392 1HB MET 48 2HB MET 48 -3.482 2.699 -7.357 393 2HB MET 48 1HB MET 48 -3.097 2.277 -5.694 394 1HG MET 48 2HG MET 48 -4.429 0.537 -6.677 395 2HG MET 48 1HG MET 48 -5.356 1.355 -5.421 396 1HE MET 48 1HE MET 48 -5.088 0.862 -9.453 397 2HE MET 48 2HE MET 48 -6.781 0.366 -9.426 398 3HE MET 48 3HE MET 48 -5.621 -0.391 -8.336 399 H ASP 49 H ASP 49 -5.852 5.223 -4.246 400 HA ASP 49 HA ASP 49 -4.035 5.461 -2.077 401 1HB ASP 49 2HB ASP 49 -6.105 6.197 -0.815 402 2HB ASP 49 1HB ASP 49 -5.758 7.108 -2.282 403 H PHE 50 H PHE 50 -4.747 4.705 0.193 404 HA PHE 50 HA PHE 50 -4.593 1.907 0.295 405 1HB PHE 50 2HB PHE 50 -5.319 3.924 2.420 406 2HB PHE 50 1HB PHE 50 -5.122 2.205 2.747 407 HD1 PHE 50 1HD PHE 50 -3.350 5.204 1.492 408 HD2 PHE 50 2HD PHE 50 -3.003 1.276 3.089 409 HE1 PHE 50 1HE PHE 50 -0.931 5.536 1.761 410 HE2 PHE 50 2HE PHE 50 -0.580 1.601 3.365 411 HZ PHE 50 HZ PHE 50 0.458 3.733 2.701 412 H SER 51 H SER 51 -7.408 4.047 0.384 413 HA SER 51 HA SER 51 -9.224 2.019 1.261 414 1HB SER 51 2HB SER 51 -9.400 4.830 0.486 415 2HB SER 51 1HB SER 51 -10.784 3.884 -0.060 416 HG SER 51 HG SER 51 -11.148 3.245 2.057 417 H THR 52 H THR 52 -8.336 3.325 -1.922 418 HA THR 52 HA THR 52 -10.257 1.788 -3.352 419 HB THR 52 HB THR 52 -7.728 3.160 -4.297 420 HG1 THR 52 1HG THR 52 -8.948 4.843 -4.153 421 1HG2 THR 52 1HG2 THR 52 -10.002 2.348 -6.062 422 2HG2 THR 52 2HG2 THR 52 -8.603 1.306 -5.809 423 3HG2 THR 52 3HG2 THR 52 -8.389 2.909 -6.511 424 H MET 53 H MET 53 -6.746 1.374 -2.802 425 HA MET 53 HA MET 53 -6.500 -1.014 -4.258 426 1HB MET 53 2HB MET 53 -4.376 -1.316 -3.177 427 2HB MET 53 1HB MET 53 -4.588 0.395 -3.515 428 1HG MET 53 2HG MET 53 -5.249 0.744 -1.169 429 2HG MET 53 1HG MET 53 -4.943 -0.962 -0.852 430 1HE MET 53 1HE MET 53 -1.779 -1.532 -2.222 431 2HE MET 53 2HE MET 53 -2.975 -2.120 -1.066 432 3HE MET 53 3HE MET 53 -1.433 -1.481 -0.495 433 H LYS 54 H LYS 54 -7.204 -0.475 -0.804 434 HA LYS 54 HA LYS 54 -7.199 -3.179 -0.023 435 1HB LYS 54 2HB LYS 54 -7.205 -1.142 1.487 436 2HB LYS 54 1HB LYS 54 -8.932 -1.021 1.185 437 1HG LYS 54 2HG LYS 54 -9.096 -3.408 2.045 438 2HG LYS 54 1HG LYS 54 -7.438 -3.197 2.616 439 1HD LYS 54 2HD LYS 54 -8.045 -1.538 4.139 440 2HD LYS 54 1HD LYS 54 -9.569 -1.208 3.314 441 1HE LYS 54 2HE LYS 54 -9.780 -3.870 4.022 442 2HE LYS 54 1HE LYS 54 -8.951 -3.143 5.400 443 1HZ LYS 54 1HZ LYS 54 -11.280 -1.730 4.342 444 2HZ LYS 54 2HZ LYS 54 -10.749 -1.896 5.939 445 3HZ LYS 54 3HZ LYS 54 -11.570 -3.167 5.188 446 H GLU 55 H GLU 55 -9.758 -1.129 -1.354 447 HA GLU 55 HA GLU 55 -11.905 -2.920 -0.992 448 1HB GLU 55 2HB GLU 55 -11.976 -0.447 -1.670 449 2HB GLU 55 1HB GLU 55 -11.649 -1.001 -3.305 450 1HG GLU 55 2HG GLU 55 -13.693 -2.426 -3.143 451 2HG GLU 55 1HG GLU 55 -14.043 -1.645 -1.603 452 H LYS 56 H LYS 56 -9.466 -2.589 -3.508 453 HA LYS 56 HA LYS 56 -10.592 -4.426 -5.352 454 1HB LYS 56 2HB LYS 56 -8.124 -2.903 -5.073 455 2HB LYS 56 1HB LYS 56 -7.830 -4.510 -5.723 456 1HG LYS 56 2HG LYS 56 -8.352 -3.681 -7.710 457 2HG LYS 56 1HG LYS 56 -10.023 -3.602 -7.149 458 1HD LYS 56 2HD LYS 56 -9.099 -1.325 -6.084 459 2HD LYS 56 1HD LYS 56 -8.014 -1.449 -7.471 460 1HE LYS 56 2HE LYS 56 -9.803 -0.228 -8.309 461 2HE LYS 56 1HE LYS 56 -10.161 -1.874 -8.830 462 1HZ LYS 56 1HZ LYS 56 -12.097 -0.703 -7.893 463 2HZ LYS 56 2HZ LYS 56 -11.302 -0.595 -6.404 464 3HZ LYS 56 3HZ LYS 56 -11.714 -2.109 -7.034 465 H ILE 57 H ILE 57 -8.366 -4.759 -2.619 466 HA ILE 57 HA ILE 57 -7.562 -7.411 -3.060 467 HB ILE 57 HB ILE 57 -7.984 -6.196 -0.328 468 1HG1 ILE 57 2HG1 ILE 57 -5.536 -5.990 -2.099 469 2HG1 ILE 57 1HG1 ILE 57 -6.646 -4.671 -1.748 470 1HG2 ILE 57 1HG2 ILE 57 -7.423 -8.702 -0.756 471 2HG2 ILE 57 2HG2 ILE 57 -6.554 -7.808 0.490 472 3HG2 ILE 57 3HG2 ILE 57 -5.802 -8.090 -1.079 473 1HD1 ILE 57 1HD1 ILE 57 -4.479 -5.785 -0.138 474 2HD1 ILE 57 2HD1 ILE 57 -5.967 -5.468 0.752 475 3HD1 ILE 57 3HD1 ILE 57 -5.180 -4.168 -0.143 476 H LYS 58 H LYS 58 -10.377 -6.086 -1.352 477 HA LYS 58 HA LYS 58 -11.371 -8.494 -0.309 478 1HB LYS 58 2HB LYS 58 -12.120 -6.134 0.244 479 2HB LYS 58 1HB LYS 58 -13.074 -6.182 -1.233 480 1HG LYS 58 2HG LYS 58 -13.916 -8.456 -0.065 481 2HG LYS 58 1HG LYS 58 -13.529 -7.496 1.364 482 1HD LYS 58 2HD LYS 58 -15.028 -5.772 0.722 483 2HD LYS 58 1HD LYS 58 -15.231 -6.457 -0.891 484 1HE LYS 58 2HE LYS 58 -15.918 -8.325 1.240 485 2HE LYS 58 1HE LYS 58 -16.898 -6.859 1.267 486 1HZ LYS 58 1HZ LYS 58 -16.666 -8.888 -0.862 487 2HZ LYS 58 2HZ LYS 58 -17.174 -7.318 -1.233 488 3HZ LYS 58 3HZ LYS 58 -18.060 -8.256 -0.141 489 H ASN 59 H ASN 59 -11.442 -7.238 -3.552 490 HA ASN 59 HA ASN 59 -13.446 -9.203 -4.387 491 1HB ASN 59 2HB ASN 59 -12.315 -6.705 -5.562 492 2HB ASN 59 1HB ASN 59 -12.931 -7.932 -6.661 493 1HD2 ASN 59 1HD2 ASN 59 -13.851 -6.138 -3.735 494 2HD2 ASN 59 2HD2 ASN 59 -15.520 -5.990 -4.152 495 H ASN 60 H ASN 60 -10.513 -9.735 -3.629 496 HA ASN 60 HA ASN 60 -8.840 -11.122 -4.251 497 1HB ASN 60 2HB ASN 60 -11.190 -12.200 -5.427 498 2HB ASN 60 1HB ASN 60 -9.892 -12.360 -6.605 499 1HD2 ASN 60 1HD2 ASN 60 -10.554 -12.853 -3.158 500 2HD2 ASN 60 2HD2 ASN 60 -9.616 -14.297 -3.008 501 H ASP 61 H ASP 61 -9.227 -8.426 -5.557 502 HA ASP 61 HA ASP 61 -8.129 -8.634 -8.188 503 1HB ASP 61 2HB ASP 61 -9.460 -6.677 -7.063 504 2HB ASP 61 1HB ASP 61 -7.872 -6.174 -6.493 505 H TYR 62 H TYR 62 -6.841 -8.267 -4.946 506 HA TYR 62 HA TYR 62 -4.119 -8.433 -6.052 507 1HB TYR 62 2HB TYR 62 -4.991 -7.054 -3.501 508 2HB TYR 62 1HB TYR 62 -3.332 -7.193 -4.074 509 HD1 TYR 62 2HD TYR 62 -3.317 -6.480 -6.801 510 HD2 TYR 62 1HD TYR 62 -5.778 -4.903 -3.710 511 HE1 TYR 62 2HE TYR 62 -3.600 -4.407 -8.088 512 HE2 TYR 62 1HE TYR 62 -6.065 -2.828 -4.988 513 HH TYR 62 HH TYR 62 -5.948 -2.201 -7.525 514 H GLN 63 H GLN 63 -3.557 -10.492 -5.846 515 HA GLN 63 HA GLN 63 -3.684 -11.724 -3.196 516 1HB GLN 63 2HB GLN 63 -4.379 -13.846 -4.121 517 2HB GLN 63 1HB GLN 63 -5.537 -12.617 -4.611 518 1HG GLN 63 2HG GLN 63 -4.663 -12.548 -6.816 519 2HG GLN 63 1HG GLN 63 -3.269 -13.524 -6.360 520 1HE2 GLN 63 1HE2 GLN 63 -6.750 -13.566 -6.820 521 2HE2 GLN 63 2HE2 GLN 63 -6.877 -15.266 -7.104 522 H SER 64 H SER 64 -1.709 -10.436 -5.176 523 HA SER 64 HA SER 64 0.338 -12.505 -4.910 524 1HB SER 64 2HB SER 64 -0.445 -12.320 -7.281 525 2HB SER 64 1HB SER 64 0.109 -10.647 -7.290 526 HG SER 64 HG SER 64 2.190 -11.342 -7.071 527 H ILE 65 H ILE 65 2.245 -11.833 -4.262 528 HA ILE 65 HA ILE 65 2.523 -9.564 -2.721 529 HB ILE 65 HB ILE 65 4.972 -9.997 -2.795 530 1HG1 ILE 65 2HG1 ILE 65 4.180 -12.251 -4.646 531 2HG1 ILE 65 1HG1 ILE 65 5.138 -10.845 -5.097 532 1HG2 ILE 65 1HG2 ILE 65 4.504 -12.561 -2.061 533 2HG2 ILE 65 2HG2 ILE 65 2.883 -11.870 -1.973 534 3HG2 ILE 65 3HG2 ILE 65 4.199 -11.153 -1.042 535 1HD1 ILE 65 1HD1 ILE 65 5.941 -13.314 -3.810 536 2HD1 ILE 65 2HD1 ILE 65 6.515 -11.882 -2.957 537 3HD1 ILE 65 3HD1 ILE 65 6.909 -12.110 -4.660 538 H GLU 66 H GLU 66 3.542 -10.071 -6.089 539 HA GLU 66 HA GLU 66 4.815 -7.546 -6.347 540 1HB GLU 66 2HB GLU 66 4.850 -7.992 -8.737 541 2HB GLU 66 1HB GLU 66 5.327 -9.426 -7.840 542 1HG GLU 66 2HG GLU 66 2.692 -9.893 -8.098 543 2HG GLU 66 1HG GLU 66 2.975 -8.945 -9.552 544 H GLU 67 H GLU 67 1.524 -8.683 -7.040 545 HA GLU 67 HA GLU 67 0.654 -6.326 -8.346 546 1HB GLU 67 2HB GLU 67 -0.724 -8.644 -7.038 547 2HB GLU 67 1HB GLU 67 -1.661 -7.245 -7.551 548 1HG GLU 67 2HG GLU 67 0.143 -8.151 -9.623 549 2HG GLU 67 1HG GLU 67 -0.953 -9.426 -9.094 550 H LEU 68 H LEU 68 0.296 -7.426 -4.967 551 HA LEU 68 HA LEU 68 -1.074 -5.089 -4.109 552 1HB LEU 68 2HB LEU 68 -0.714 -5.891 -1.854 553 2HB LEU 68 1HB LEU 68 -1.223 -7.206 -2.893 554 HG LEU 68 HG LEU 68 1.439 -7.550 -3.048 555 1HD1 LEU 68 1HD1 LEU 68 2.145 -7.316 -0.551 556 2HD1 LEU 68 2HD1 LEU 68 0.919 -6.050 -0.522 557 3HD1 LEU 68 3HD1 LEU 68 2.277 -5.936 -1.638 558 1HD2 LEU 68 1HD2 LEU 68 -0.055 -9.312 -2.471 559 2HD2 LEU 68 2HD2 LEU 68 -0.452 -8.552 -0.932 560 3HD2 LEU 68 3HD2 LEU 68 1.159 -9.215 -1.195 561 H LYS 69 H LYS 69 2.322 -6.003 -4.238 562 HA LYS 69 HA LYS 69 3.276 -3.790 -2.711 563 1HB LYS 69 2HB LYS 69 4.564 -5.812 -4.508 564 2HB LYS 69 1HB LYS 69 5.479 -4.411 -3.970 565 1HG LYS 69 2HG LYS 69 5.074 -5.036 -1.644 566 2HG LYS 69 1HG LYS 69 4.159 -6.443 -2.184 567 1HD LYS 69 2HD LYS 69 6.399 -7.121 -1.600 568 2HD LYS 69 1HD LYS 69 6.182 -7.265 -3.347 569 1HE LYS 69 2HE LYS 69 7.383 -5.223 -3.721 570 2HE LYS 69 1HE LYS 69 7.454 -4.891 -1.992 571 1HZ LYS 69 1HZ LYS 69 9.146 -6.331 -1.697 572 2HZ LYS 69 2HZ LYS 69 9.432 -6.034 -3.337 573 3HZ LYS 69 3HZ LYS 69 8.594 -7.425 -2.863 574 H ASP 70 H ASP 70 2.949 -4.429 -6.187 575 HA ASP 70 HA ASP 70 4.220 -2.137 -7.147 576 1HB ASP 70 2HB ASP 70 2.211 -4.045 -8.227 577 2HB ASP 70 1HB ASP 70 2.366 -2.501 -9.058 578 H ASN 71 H ASN 71 0.794 -2.637 -6.311 579 HA ASN 71 HA ASN 71 0.003 -0.007 -7.034 580 1HB ASN 71 2HB ASN 71 -1.274 -2.252 -5.531 581 2HB ASN 71 1HB ASN 71 -2.000 -0.652 -5.450 582 1HD2 ASN 71 1HD2 ASN 71 -2.645 0.355 -7.435 583 2HD2 ASN 71 2HD2 ASN 71 -3.089 -0.619 -8.791 584 H PHE 72 H PHE 72 0.734 -1.502 -3.869 585 HA PHE 72 HA PHE 72 0.242 0.772 -2.298 586 1HB PHE 72 2HB PHE 72 0.490 -1.349 -1.206 587 2HB PHE 72 1HB PHE 72 2.103 -1.575 -1.871 588 HD1 PHE 72 1HD PHE 72 0.221 0.838 0.272 589 HD2 PHE 72 2HD PHE 72 3.901 -1.157 -0.499 590 HE1 PHE 72 1HE PHE 72 1.193 1.854 2.290 591 HE2 PHE 72 2HE PHE 72 4.876 -0.143 1.520 592 HZ PHE 72 HZ PHE 72 3.520 1.364 2.916 593 H LYS 73 H LYS 73 3.268 -0.414 -3.729 594 HA LYS 73 HA LYS 73 4.900 1.707 -2.849 595 1HB LYS 73 2HB LYS 73 5.158 -0.333 -5.038 596 2HB LYS 73 1HB LYS 73 6.346 0.952 -4.869 597 1HG LYS 73 2HG LYS 73 7.061 0.175 -2.782 598 2HG LYS 73 1HG LYS 73 5.633 -0.841 -2.572 599 1HD LYS 73 2HD LYS 73 6.685 -2.558 -3.517 600 2HD LYS 73 1HD LYS 73 6.974 -1.608 -4.975 601 1HE LYS 73 2HE LYS 73 9.029 -0.759 -4.103 602 2HE LYS 73 1HE LYS 73 8.702 -1.446 -2.513 603 1HZ LYS 73 1HZ LYS 73 9.409 -3.463 -3.148 604 2HZ LYS 73 2HZ LYS 73 10.221 -2.621 -4.370 605 3HZ LYS 73 3HZ LYS 73 8.732 -3.354 -4.696 606 H LEU 74 H LEU 74 2.873 1.301 -5.716 607 HA LEU 74 HA LEU 74 3.882 3.422 -7.236 608 1HB LEU 74 2HB LEU 74 1.423 1.813 -7.210 609 2HB LEU 74 1HB LEU 74 1.212 3.429 -7.860 610 HG LEU 74 HG LEU 74 3.492 1.804 -8.882 611 1HD1 LEU 74 1HD1 LEU 74 1.568 1.165 -10.669 612 2HD1 LEU 74 2HD1 LEU 74 0.657 1.083 -9.163 613 3HD1 LEU 74 3HD1 LEU 74 2.109 0.104 -9.370 614 1HD2 LEU 74 1HD2 LEU 74 1.590 3.813 -10.080 615 2HD2 LEU 74 2HD2 LEU 74 2.864 2.983 -10.975 616 3HD2 LEU 74 3HD2 LEU 74 3.280 4.069 -9.650 617 H MET 75 H MET 75 1.254 3.413 -4.793 618 HA MET 75 HA MET 75 0.673 6.177 -5.105 619 1HB MET 75 2HB MET 75 -0.654 4.250 -3.853 620 2HB MET 75 1HB MET 75 0.229 4.869 -2.465 621 1HG MET 75 2HG MET 75 -0.849 7.093 -3.871 622 2HG MET 75 1HG MET 75 -2.124 5.893 -3.677 623 1HE MET 75 1HE MET 75 0.931 6.447 -1.196 624 2HE MET 75 2HE MET 75 0.260 7.715 -0.172 625 3HE MET 75 3HE MET 75 0.580 8.035 -1.874 626 H CYS 76 H CYS 76 2.816 4.393 -2.916 627 HA CYS 76 HA CYS 76 3.618 6.543 -1.299 628 1HB CYS 76 2HB CYS 76 4.441 3.811 -1.740 629 2HB CYS 76 1HB CYS 76 5.854 4.847 -1.593 630 HG CYS 76 HG CYS 76 5.513 4.744 0.817 631 H THR 77 H THR 77 5.086 5.208 -4.249 632 HA THR 77 HA THR 77 7.151 7.157 -4.417 633 HB THR 77 HB THR 77 6.012 5.416 -6.615 634 HG1 THR 77 1HG THR 77 6.730 4.006 -5.140 635 1HG2 THR 77 1HG2 THR 77 7.550 7.306 -7.295 636 2HG2 THR 77 2HG2 THR 77 8.024 5.679 -7.782 637 3HG2 THR 77 3HG2 THR 77 8.816 6.456 -6.410 638 H ASN 78 H ASN 78 3.899 6.895 -5.773 639 HA ASN 78 HA ASN 78 4.085 9.087 -7.556 640 1HB ASN 78 2HB ASN 78 1.760 7.645 -6.294 641 2HB ASN 78 1HB ASN 78 1.538 9.010 -7.371 642 1HD2 ASN 78 1HD2 ASN 78 0.314 6.996 -8.302 643 2HD2 ASN 78 2HD2 ASN 78 1.160 6.125 -9.515 644 H ALA 79 H ALA 79 3.154 8.780 -4.169 645 HA ALA 79 HA ALA 79 2.156 11.436 -3.903 646 1HB ALA 79 1HB ALA 79 2.376 10.979 -1.442 647 2HB ALA 79 2HB ALA 79 3.036 9.399 -1.868 648 3HB ALA 79 3HB ALA 79 1.389 9.823 -2.336 649 H MET 80 H MET 80 5.292 9.895 -3.247 650 HA MET 80 HA MET 80 6.449 12.263 -2.149 651 1HB MET 80 2HB MET 80 8.542 11.065 -2.149 652 2HB MET 80 1HB MET 80 7.265 9.993 -1.597 653 1HG MET 80 2HG MET 80 7.721 8.526 -3.185 654 2HG MET 80 1HG MET 80 7.605 9.755 -4.440 655 1HE MET 80 1HE MET 80 11.212 11.093 -4.747 656 2HE MET 80 2HE MET 80 9.798 11.789 -3.954 657 3HE MET 80 3HE MET 80 9.628 10.986 -5.515 658 H ILE 81 H ILE 81 6.212 10.942 -5.409 659 HA ILE 81 HA ILE 81 8.232 12.616 -6.524 660 HB ILE 81 HB ILE 81 7.558 10.586 -7.692 661 1HG1 ILE 81 2HG1 ILE 81 6.692 12.627 -9.648 662 2HG1 ILE 81 1HG1 ILE 81 8.211 12.961 -8.821 663 1HG2 ILE 81 1HG2 ILE 81 4.941 11.973 -8.246 664 2HG2 ILE 81 2HG2 ILE 81 5.173 10.620 -7.141 665 3HG2 ILE 81 3HG2 ILE 81 5.447 10.401 -8.866 666 1HD1 ILE 81 1HD1 ILE 81 8.834 11.835 -10.754 667 2HD1 ILE 81 2HD1 ILE 81 7.516 10.672 -10.616 668 3HD1 ILE 81 3HD1 ILE 81 8.883 10.592 -9.505 669 H TYR 82 H TYR 82 4.659 12.905 -6.354 670 HA TYR 82 HA TYR 82 4.901 15.631 -7.408 671 1HB TYR 82 2HB TYR 82 3.108 13.804 -8.100 672 2HB TYR 82 1HB TYR 82 2.256 14.440 -6.697 673 HD1 TYR 82 1HD TYR 82 4.161 15.860 -9.598 674 HD2 TYR 82 2HD TYR 82 0.656 16.024 -7.191 675 HE1 TYR 82 1HE TYR 82 3.306 17.705 -10.979 676 HE2 TYR 82 2HE TYR 82 -0.206 17.868 -8.568 677 HH TYR 82 HH TYR 82 1.676 19.626 -10.688 678 H ASN 83 H ASN 83 5.940 15.139 -4.805 679 HA ASN 83 HA ASN 83 4.654 17.223 -3.361 680 1HB ASN 83 2HB ASN 83 3.352 14.903 -2.950 681 2HB ASN 83 1HB ASN 83 4.615 14.732 -1.734 682 1HD2 ASN 83 1HD2 ASN 83 1.670 16.223 -2.562 683 2HD2 ASN 83 2HD2 ASN 83 1.499 17.200 -1.149 684 H LYS 84 H LYS 84 6.523 18.246 -2.945 685 HA LYS 84 HA LYS 84 8.929 16.848 -2.220 686 1HB LYS 84 2HB LYS 84 8.161 19.598 -2.899 687 2HB LYS 84 1HB LYS 84 9.394 19.507 -1.649 688 1HG LYS 84 2HG LYS 84 10.645 17.944 -3.219 689 2HG LYS 84 1HG LYS 84 9.510 18.474 -4.464 690 1HD LYS 84 2HD LYS 84 11.092 20.056 -4.818 691 2HD LYS 84 1HD LYS 84 10.259 20.864 -3.491 692 1HE LYS 84 2HE LYS 84 12.563 20.955 -2.972 693 2HE LYS 84 1HE LYS 84 11.875 19.710 -1.932 694 1HZ LYS 84 1HZ LYS 84 12.621 18.231 -4.006 695 2HZ LYS 84 2HZ LYS 84 13.641 18.557 -2.698 696 3HZ LYS 84 3HZ LYS 84 13.778 19.460 -4.120 697 HA PRO 85 HA PRO 85 8.787 16.928 2.191 698 1HB PRO 85 2HB PRO 85 11.103 18.169 2.956 699 2HB PRO 85 1HB PRO 85 11.034 16.512 2.349 700 1HG PRO 85 2HG PRO 85 11.740 19.035 0.901 701 2HG PRO 85 1HG PRO 85 12.524 17.446 0.824 702 1HD PRO 85 2HD PRO 85 10.833 18.278 -1.088 703 2HD PRO 85 1HD PRO 85 10.905 16.578 -0.587 704 H GLU 86 H GLU 86 6.972 18.503 1.893 705 HA GLU 86 HA GLU 86 7.453 21.288 2.400 706 1HB GLU 86 2HB GLU 86 5.520 20.274 1.078 707 2HB GLU 86 1HB GLU 86 4.812 19.849 2.629 708 1HG GLU 86 2HG GLU 86 4.044 21.904 2.941 709 2HG GLU 86 1HG GLU 86 5.603 22.629 2.548 710 H THR 87 H THR 87 5.710 18.779 4.260 711 HA THR 87 HA THR 87 6.736 19.956 6.731 712 HB THR 87 HB THR 87 4.457 19.814 7.756 713 HG1 THR 87 1HG THR 87 3.719 19.282 5.073 714 1HG2 THR 87 1HG2 THR 87 4.056 21.946 7.299 715 2HG2 THR 87 2HG2 THR 87 3.853 21.632 5.577 716 3HG2 THR 87 3HG2 THR 87 5.467 21.865 6.247 717 H ILE 88 H ILE 88 4.128 17.598 6.341 718 HA ILE 88 HA ILE 88 5.950 15.498 7.315 719 HB ILE 88 HB ILE 88 3.043 15.714 8.102 720 1HG1 ILE 88 2HG1 ILE 88 4.552 16.162 10.386 721 2HG1 ILE 88 1HG1 ILE 88 5.399 17.098 9.161 722 1HG2 ILE 88 1HG2 ILE 88 5.227 13.802 8.609 723 2HG2 ILE 88 2HG2 ILE 88 3.483 13.551 8.567 724 3HG2 ILE 88 3HG2 ILE 88 4.242 14.226 10.007 725 1HD1 ILE 88 1HD1 ILE 88 2.607 17.583 8.901 726 2HD1 ILE 88 2HD1 ILE 88 3.897 18.703 9.333 727 3HD1 ILE 88 3HD1 ILE 88 3.072 17.783 10.591 728 H TYR 89 H TYR 89 4.182 16.428 4.706 729 HA TYR 89 HA TYR 89 2.730 14.091 4.038 730 1HB TYR 89 2HB TYR 89 3.820 16.364 2.376 731 2HB TYR 89 1HB TYR 89 2.917 15.030 1.667 732 HD1 TYR 89 2HD TYR 89 0.667 14.524 3.224 733 HD2 TYR 89 1HD TYR 89 2.576 18.279 2.616 734 HE1 TYR 89 2HE TYR 89 -1.444 15.673 3.732 735 HE2 TYR 89 1HE TYR 89 0.467 19.437 3.125 736 HH TYR 89 HH TYR 89 -2.068 18.071 4.640 737 H TYR 90 H TYR 90 5.985 15.227 3.142 738 HA TYR 90 HA TYR 90 6.635 12.998 1.522 739 1HB TYR 90 2HB TYR 90 7.825 15.312 1.733 740 2HB TYR 90 1HB TYR 90 8.724 14.541 3.035 741 HD1 TYR 90 1HD TYR 90 10.024 12.412 2.491 742 HD2 TYR 90 2HD TYR 90 8.436 14.979 -0.505 743 HE1 TYR 90 1HE TYR 90 11.563 11.432 0.844 744 HE2 TYR 90 2HE TYR 90 9.969 14.006 -2.162 745 HH TYR 90 HH TYR 90 12.494 12.669 -1.773 746 H LYS 91 H LYS 91 7.267 13.719 4.944 747 HA LYS 91 HA LYS 91 8.736 11.376 5.498 748 1HB LYS 91 2HB LYS 91 7.881 13.642 6.937 749 2HB LYS 91 1HB LYS 91 7.234 12.252 7.798 750 1HG LYS 91 2HG LYS 91 9.275 11.518 8.437 751 2HG LYS 91 1HG LYS 91 10.066 12.089 6.967 752 1HD LYS 91 2HD LYS 91 10.805 13.867 8.074 753 2HD LYS 91 1HD LYS 91 9.138 14.371 8.360 754 1HE LYS 91 2HE LYS 91 10.501 12.329 10.091 755 2HE LYS 91 1HE LYS 91 10.657 14.058 10.399 756 1HZ LYS 91 1HZ LYS 91 8.746 12.577 11.468 757 2HZ LYS 91 2HZ LYS 91 7.948 13.038 10.051 758 3HZ LYS 91 3HZ LYS 91 8.534 14.217 11.111 759 H ALA 92 H ALA 92 5.269 12.097 5.634 760 HA ALA 92 HA ALA 92 4.388 9.775 6.919 761 1HB ALA 92 1HB ALA 92 3.106 11.697 5.022 762 2HB ALA 92 2HB ALA 92 2.736 11.373 6.715 763 3HB ALA 92 3HB ALA 92 2.260 10.217 5.472 764 H ALA 93 H ALA 93 4.920 10.417 3.458 765 HA ALA 93 HA ALA 93 4.025 7.930 2.492 766 1HB ALA 93 1HB ALA 93 4.944 8.531 0.431 767 2HB ALA 93 2HB ALA 93 6.225 9.489 1.174 768 3HB ALA 93 3HB ALA 93 4.564 10.078 1.186 769 H LYS 94 H LYS 94 7.277 9.041 3.429 770 HA LYS 94 HA LYS 94 8.652 6.669 2.788 771 1HB LYS 94 2HB LYS 94 9.663 8.936 3.316 772 2HB LYS 94 1HB LYS 94 9.395 8.569 5.015 773 1HG LYS 94 2HG LYS 94 10.728 6.379 4.401 774 2HG LYS 94 1HG LYS 94 11.342 7.400 3.099 775 1HD LYS 94 2HD LYS 94 12.391 8.852 4.553 776 2HD LYS 94 1HD LYS 94 11.327 8.442 5.899 777 1HE LYS 94 2HE LYS 94 12.440 6.409 6.299 778 2HE LYS 94 1HE LYS 94 13.253 6.453 4.735 779 1HZ LYS 94 1HZ LYS 94 14.944 7.169 6.032 780 2HZ LYS 94 2HZ LYS 94 13.933 7.816 7.223 781 3HZ LYS 94 3HZ LYS 94 14.209 8.674 5.791 782 H LYS 95 H LYS 95 7.018 7.714 5.756 783 HA LYS 95 HA LYS 95 7.849 5.606 7.412 784 1HB LYS 95 2HB LYS 95 6.556 7.817 7.959 785 2HB LYS 95 1HB LYS 95 5.128 6.826 7.700 786 1HG LYS 95 2HG LYS 95 5.382 6.546 9.940 787 2HG LYS 95 1HG LYS 95 6.377 5.207 9.368 788 1HD LYS 95 2HD LYS 95 7.643 7.877 9.778 789 2HD LYS 95 1HD LYS 95 7.275 6.883 11.188 790 1HE LYS 95 2HE LYS 95 9.225 5.866 10.828 791 2HE LYS 95 1HE LYS 95 8.463 5.110 9.430 792 1HZ LYS 95 1HZ LYS 95 10.533 6.156 8.809 793 2HZ LYS 95 2HZ LYS 95 10.012 7.646 9.413 794 3HZ LYS 95 3HZ LYS 95 9.247 6.966 8.067 795 H LEU 96 H LEU 96 5.078 5.892 5.217 796 HA LEU 96 HA LEU 96 3.842 3.456 5.936 797 1HB LEU 96 2HB LEU 96 3.573 5.427 3.764 798 2HB LEU 96 1HB LEU 96 3.117 3.792 3.322 799 HG LEU 96 HG LEU 96 1.155 4.980 4.034 800 1HD1 LEU 96 1HD1 LEU 96 0.314 3.252 5.173 801 2HD1 LEU 96 2HD1 LEU 96 1.472 3.434 6.492 802 3HD1 LEU 96 3HD1 LEU 96 1.928 2.554 5.032 803 1HD2 LEU 96 1HD2 LEU 96 2.860 5.728 6.371 804 2HD2 LEU 96 2HD2 LEU 96 1.107 5.677 6.532 805 3HD2 LEU 96 3HD2 LEU 96 1.850 6.747 5.346 806 H LEU 97 H LEU 97 6.145 4.275 3.346 807 HA LEU 97 HA LEU 97 6.273 1.793 2.093 808 1HB LEU 97 2HB LEU 97 7.527 4.194 1.754 809 2HB LEU 97 1HB LEU 97 8.848 3.201 2.338 810 HG LEU 97 HG LEU 97 7.124 2.404 -0.004 811 1HD1 LEU 97 1HD1 LEU 97 8.052 4.257 -0.941 812 2HD1 LEU 97 2HD1 LEU 97 9.373 3.118 -1.205 813 3HD1 LEU 97 3HD1 LEU 97 9.442 4.250 0.145 814 1HD2 LEU 97 1HD2 LEU 97 9.407 1.176 -0.448 815 2HD2 LEU 97 2HD2 LEU 97 8.201 0.488 0.640 816 3HD2 LEU 97 3HD2 LEU 97 9.590 1.356 1.297 817 H HIS 98 H HIS 98 8.048 2.987 4.922 818 HA HIS 98 HA HIS 98 9.770 0.782 5.236 819 1HB HIS 98 2HB HIS 98 9.314 3.200 6.570 820 2HB HIS 98 1HB HIS 98 8.994 1.958 7.775 821 HD1 HIS 98 1HD HIS 98 10.988 0.551 8.587 822 HD2 HIS 98 2HD HIS 98 11.983 3.367 5.697 823 HE1 HIS 98 1HE HIS 98 13.501 0.653 8.585 824 HE2 HIS 98 2HE HIS 98 14.082 2.365 6.830 825 H SER 99 H SER 99 6.549 1.453 6.578 826 HA SER 99 HA SER 99 6.417 -0.922 8.143 827 1HB SER 99 2HB SER 99 5.031 1.144 8.536 828 2HB SER 99 1HB SER 99 4.091 0.716 7.106 829 HG SER 99 HG SER 99 3.151 -0.039 9.075 830 H GLY 100 H GLY 100 5.292 -0.053 4.895 831 1HA GLY 100 2HA GLY 100 3.841 -2.422 4.386 832 2HA GLY 100 1HA GLY 100 4.484 -1.331 3.169 833 H MET 101 H MET 101 7.255 -1.609 3.938 834 HA MET 101 HA MET 101 7.886 -3.948 2.441 835 1HB MET 101 2HB MET 101 9.428 -1.779 3.777 836 2HB MET 101 1HB MET 101 10.276 -3.287 3.470 837 1HG MET 101 2HG MET 101 9.239 -2.957 1.059 838 2HG MET 101 1HG MET 101 9.239 -1.267 1.566 839 1HE MET 101 1HE MET 101 10.441 -1.116 -0.585 840 2HE MET 101 2HE MET 101 11.462 -2.485 -1.027 841 3HE MET 101 3HE MET 101 12.195 -0.938 -0.604 842 H LYS 102 H LYS 102 8.226 -3.096 5.894 843 HA LYS 102 HA LYS 102 9.383 -5.578 6.628 844 1HB LYS 102 2HB LYS 102 8.828 -4.918 8.966 845 2HB LYS 102 1HB LYS 102 9.737 -3.710 8.076 846 1HG LYS 102 2HG LYS 102 8.231 -2.247 8.776 847 2HG LYS 102 1HG LYS 102 7.111 -2.993 7.640 848 1HD LYS 102 2HD LYS 102 6.292 -4.482 9.358 849 2HD LYS 102 1HD LYS 102 7.492 -3.873 10.500 850 1HE LYS 102 2HE LYS 102 6.450 -1.610 10.253 851 2HE LYS 102 1HE LYS 102 5.174 -2.366 9.299 852 1HZ LYS 102 1HZ LYS 102 4.475 -2.131 11.574 853 2HZ LYS 102 2HZ LYS 102 5.838 -2.962 12.134 854 3HZ LYS 102 3HZ LYS 102 4.665 -3.775 11.225 855 H ILE 103 H ILE 103 5.992 -4.430 6.698 856 HA ILE 103 HA ILE 103 4.941 -6.693 7.994 857 HB ILE 103 HB ILE 103 2.769 -6.031 7.067 858 1HG1 ILE 103 2HG1 ILE 103 2.974 -3.640 5.869 859 2HG1 ILE 103 1HG1 ILE 103 4.472 -4.366 5.308 860 1HG2 ILE 103 1HG2 ILE 103 4.525 -4.061 8.425 861 2HG2 ILE 103 2HG2 ILE 103 3.137 -4.953 9.046 862 3HG2 ILE 103 3HG2 ILE 103 2.891 -3.583 7.964 863 1HD1 ILE 103 1HD1 ILE 103 3.402 -5.604 3.816 864 2HD1 ILE 103 2HD1 ILE 103 1.962 -4.658 4.188 865 3HD1 ILE 103 3HD1 ILE 103 2.253 -6.185 5.019 866 H LEU 104 H LEU 104 5.637 -6.039 4.597 867 HA LEU 104 HA LEU 104 4.297 -8.333 3.575 868 1HB LEU 104 2HB LEU 104 5.834 -6.140 2.536 869 2HB LEU 104 1HB LEU 104 6.398 -7.638 1.822 870 HG LEU 104 HG LEU 104 3.491 -7.459 1.846 871 1HD1 LEU 104 1HD1 LEU 104 3.752 -5.763 -0.185 872 2HD1 LEU 104 2HD1 LEU 104 5.070 -5.173 0.827 873 3HD1 LEU 104 3HD1 LEU 104 3.427 -5.229 1.462 874 1HD2 LEU 104 1HD2 LEU 104 4.107 -7.745 -0.706 875 2HD2 LEU 104 2HD2 LEU 104 4.259 -9.079 0.436 876 3HD2 LEU 104 3HD2 LEU 104 5.684 -8.156 -0.035 877 H SER 105 H SER 105 7.345 -7.880 5.138 878 HA SER 105 HA SER 105 8.459 -10.358 4.102 879 1HB SER 105 2HB SER 105 9.594 -8.498 6.205 880 2HB SER 105 1HB SER 105 10.456 -9.779 5.353 881 HG SER 105 HG SER 105 10.765 -8.455 3.751 882 H GLN 106 H GLN 106 6.019 -10.117 6.008 883 HA GLN 106 HA GLN 106 7.029 -11.770 8.212 884 1HB GLN 106 2HB GLN 106 4.562 -10.102 7.851 885 2HB GLN 106 1HB GLN 106 4.612 -11.369 9.068 886 1HG GLN 106 2HG GLN 106 6.921 -10.072 9.603 887 2HG GLN 106 1HG GLN 106 5.922 -8.745 9.012 888 1HE2 GLN 106 1HE2 GLN 106 3.626 -8.794 9.965 889 2HE2 GLN 106 2HE2 GLN 106 3.535 -9.052 11.671 890 H GLU 107 H GLU 107 4.921 -11.826 5.422 891 HA GLU 107 HA GLU 107 3.347 -14.049 5.952 892 1HB GLU 107 2HB GLU 107 4.529 -13.240 3.287 893 2HB GLU 107 1HB GLU 107 3.162 -14.322 3.516 894 1HG GLU 107 2HG GLU 107 1.725 -12.630 4.049 895 2HG GLU 107 1HG GLU 107 3.003 -11.592 4.679 896 H ARG 108 H ARG 108 6.714 -13.885 4.955 897 HA ARG 108 HA ARG 108 6.823 -16.821 4.851 898 1HB ARG 108 2HB ARG 108 8.937 -16.556 3.651 899 2HB ARG 108 1HB ARG 108 7.642 -15.684 2.845 900 1HG ARG 108 2HG ARG 108 8.491 -13.620 4.087 901 2HG ARG 108 1HG ARG 108 9.929 -14.579 4.439 902 1HD ARG 108 2HD ARG 108 9.558 -14.974 1.739 903 2HD ARG 108 1HD ARG 108 9.092 -13.288 1.960 904 HE ARG 108 HE ARG 108 11.732 -14.402 2.167 905 1HH1 ARG 108 1HH1 ARG 108 9.663 -11.762 3.176 906 2HH1 ARG 108 2HH1 ARG 108 10.980 -10.681 3.475 907 1HH2 ARG 108 1HH2 ARG 108 13.466 -12.976 2.573 908 2HH2 ARG 108 2HH2 ARG 108 13.143 -11.371 3.135 909 H LEU 109 H LEU 109 6.601 -15.747 7.385 910 HA LEU 109 HA LEU 109 9.286 -16.257 8.478 911 1HB LEU 109 2HB LEU 109 7.704 -13.888 8.752 912 2HB LEU 109 1HB LEU 109 7.847 -14.655 10.322 913 HG LEU 109 HG LEU 109 10.177 -13.893 8.556 914 1HD1 LEU 109 1HD1 LEU 109 9.304 -12.591 11.122 915 2HD1 LEU 109 2HD1 LEU 109 8.836 -11.995 9.530 916 3HD1 LEU 109 3HD1 LEU 109 10.540 -12.044 9.986 917 1HD2 LEU 109 1HD2 LEU 109 11.462 -14.290 10.681 918 2HD2 LEU 109 2HD2 LEU 109 10.811 -15.738 9.916 919 3HD2 LEU 109 3HD2 LEU 109 10.013 -15.053 11.330 920 H GLU 110 H GLU 110 5.933 -15.882 9.700 921 HA GLU 110 HA GLU 110 6.255 -18.481 11.054 922 1HB GLU 110 2HB GLU 110 5.197 -15.881 12.098 923 2HB GLU 110 1HB GLU 110 4.570 -17.391 12.744 924 1HG GLU 110 2HG GLU 110 6.276 -17.417 14.149 925 2HG GLU 110 1HG GLU 110 7.344 -17.682 12.770 926 H HIS 111 H HIS 111 4.901 -19.934 10.264 927 HA HIS 111 HA HIS 111 2.220 -19.055 9.407 928 1HB HIS 111 2HB HIS 111 2.273 -20.808 7.682 929 2HB HIS 111 1HB HIS 111 3.582 -19.653 7.461 930 HD1 HIS 111 1HD HIS 111 3.054 -23.103 8.979 931 HD2 HIS 111 2HD HIS 111 6.021 -20.816 7.179 932 HE1 HIS 111 1HE HIS 111 5.033 -24.636 8.739 933 HE2 HIS 111 2HE HIS 111 6.832 -23.219 7.687 934 H HIS 112 H HIS 112 3.085 -20.061 12.042 935 HA HIS 112 HA HIS 112 1.058 -22.088 12.353 936 1HB HIS 112 2HB HIS 112 2.499 -23.777 13.360 937 2HB HIS 112 1HB HIS 112 3.034 -23.436 11.720 938 HD1 HIS 112 1HD HIS 112 4.946 -21.196 11.966 939 HD2 HIS 112 2HD HIS 112 4.708 -24.177 14.846 940 HE1 HIS 112 1HE HIS 112 7.152 -21.146 13.161 941 HE2 HIS 112 2HE HIS 112 6.956 -22.903 14.957 942 H HIS 113 H HIS 113 0.350 -22.340 14.493 943 HA HIS 113 HA HIS 113 1.114 -20.137 16.247 944 1HB HIS 113 2HB HIS 113 -1.335 -21.218 15.621 945 2HB HIS 113 1HB HIS 113 -0.999 -21.950 17.186 946 HD1 HIS 113 1HD HIS 113 -1.068 -18.480 15.630 947 HD2 HIS 113 2HD HIS 113 -1.652 -20.369 19.284 948 HE1 HIS 113 1HE HIS 113 -1.859 -16.681 17.198 949 HE2 HIS 113 2HE HIS 113 -2.306 -17.869 19.375 950 H HIS 114 H HIS 114 3.144 -20.920 16.946 951 HA HIS 114 HA HIS 114 3.003 -23.256 18.732 952 1HB HIS 114 2HB HIS 114 4.656 -22.994 16.616 953 2HB HIS 114 1HB HIS 114 5.660 -22.271 17.868 954 HD1 HIS 114 1HD HIS 114 5.820 -23.908 20.126 955 HD2 HIS 114 2HD HIS 114 4.946 -25.673 16.467 956 HE1 HIS 114 1HE HIS 114 6.372 -26.346 20.407 957 HE2 HIS 114 2HE HIS 114 5.711 -27.412 18.223 958 H HIS 115 H HIS 115 2.333 -22.143 20.563 959 HA HIS 115 HA HIS 115 4.343 -20.318 21.712 960 1HB HIS 115 2HB HIS 115 1.550 -19.848 21.227 961 2HB HIS 115 1HB HIS 115 1.853 -19.810 22.960 962 HD1 HIS 115 1HD HIS 115 1.042 -17.242 21.557 963 HD2 HIS 115 2HD HIS 115 4.999 -18.401 22.076 964 HE1 HIS 115 1HE HIS 115 2.387 -15.121 21.426 965 HE2 HIS 115 2HE HIS 115 4.769 -15.838 21.821 966 H HIS 116 H HIS 116 1.762 -22.650 22.466 967 HA HIS 116 HA HIS 116 3.146 -23.246 24.997 968 1HB HIS 116 2HB HIS 116 0.227 -23.392 24.252 969 2HB HIS 116 1HB HIS 116 0.871 -24.232 25.659 970 HD1 HIS 116 1HD HIS 116 -0.141 -20.887 24.441 971 HD2 HIS 116 2HD HIS 116 1.779 -22.516 27.747 972 HE1 HIS 116 1HE HIS 116 -0.124 -19.065 26.175 973 HE2 HIS 116 2HE HIS 116 0.978 -20.097 28.192 Start of MODEL 9 1 1H MET 0 1HT MET 0 -7.934 -30.713 -7.043 2 2H MET 0 2HT MET 0 -9.347 -30.526 -6.087 3 3H MET 0 3HT MET 0 -7.797 -30.499 -5.348 4 HA MET 0 HA MET 0 -7.249 -28.510 -6.542 5 1HB MET 0 2HB MET 0 -10.027 -28.957 -7.617 6 2HB MET 0 1HB MET 0 -9.304 -27.353 -7.604 7 1HG MET 0 2HG MET 0 -7.960 -27.809 -9.332 8 2HG MET 0 1HG MET 0 -7.592 -29.431 -8.749 9 1HE MET 0 1HE MET 0 -9.984 -31.746 -10.121 10 2HE MET 0 2HE MET 0 -8.573 -31.348 -9.140 11 3HE MET 0 3HE MET 0 -8.431 -31.430 -10.895 12 H GLU 1 H GLU 1 -6.984 -27.384 -4.721 13 HA GLU 1 HA GLU 1 -9.204 -27.088 -2.849 14 1HB GLU 1 2HB GLU 1 -6.252 -26.830 -2.687 15 2HB GLU 1 1HB GLU 1 -7.195 -25.791 -1.631 16 1HG GLU 1 2HG GLU 1 -8.046 -28.590 -1.639 17 2HG GLU 1 1HG GLU 1 -6.408 -28.320 -1.042 18 H GLU 2 H GLU 2 -10.552 -25.455 -3.223 19 HA GLU 2 HA GLU 2 -9.525 -22.981 -4.404 20 1HB GLU 2 2HB GLU 2 -11.867 -22.376 -4.760 21 2HB GLU 2 1HB GLU 2 -11.521 -23.959 -5.437 22 1HG GLU 2 2HG GLU 2 -13.354 -24.641 -4.378 23 2HG GLU 2 1HG GLU 2 -12.385 -24.573 -2.910 24 H VAL 3 H VAL 3 -9.215 -23.921 -1.507 25 HA VAL 3 HA VAL 3 -10.390 -21.546 -0.226 26 HB VAL 3 HB VAL 3 -9.512 -23.994 1.286 27 1HG1 VAL 3 1HG1 VAL 3 -11.377 -21.700 1.877 28 2HG1 VAL 3 2HG1 VAL 3 -9.828 -22.050 2.643 29 3HG1 VAL 3 3HG1 VAL 3 -11.203 -23.121 2.907 30 1HG2 VAL 3 1HG2 VAL 3 -11.099 -24.984 -0.091 31 2HG2 VAL 3 2HG2 VAL 3 -12.089 -23.524 -0.173 32 3HG2 VAL 3 3HG2 VAL 3 -12.057 -24.488 1.304 33 H GLU 4 H GLU 4 -7.553 -22.546 -1.479 34 HA GLU 4 HA GLU 4 -5.789 -21.847 0.699 35 1HB GLU 4 2HB GLU 4 -5.241 -22.397 -2.220 36 2HB GLU 4 1HB GLU 4 -3.996 -22.093 -1.016 37 1HG GLU 4 2HG GLU 4 -4.259 -24.129 -0.017 38 2HG GLU 4 1HG GLU 4 -5.952 -24.267 -0.491 39 H GLN 5 H GLN 5 -7.372 -20.178 -1.887 40 HA GLN 5 HA GLN 5 -5.538 -17.958 -1.960 41 1HB GLN 5 2HB GLN 5 -8.350 -18.163 -3.050 42 2HB GLN 5 1HB GLN 5 -7.178 -16.909 -3.436 43 1HG GLN 5 2HG GLN 5 -6.728 -18.179 -5.214 44 2HG GLN 5 1HG GLN 5 -5.782 -19.143 -4.080 45 1HE2 GLN 5 1HE2 GLN 5 -9.226 -18.811 -4.918 46 2HE2 GLN 5 2HE2 GLN 5 -9.514 -20.506 -5.097 47 H THR 6 H THR 6 -8.468 -18.786 -0.236 48 HA THR 6 HA THR 6 -9.357 -16.294 0.564 49 HB THR 6 HB THR 6 -9.624 -18.123 2.763 50 HG1 THR 6 1HG THR 6 -10.096 -19.955 1.823 51 1HG2 THR 6 1HG2 THR 6 -11.993 -18.191 1.390 52 2HG2 THR 6 2HG2 THR 6 -11.318 -16.622 0.953 53 3HG2 THR 6 3HG2 THR 6 -11.555 -17.042 2.651 54 HA PRO 7 HA PRO 7 -6.557 -16.701 4.606 55 1HB PRO 7 2HB PRO 7 -4.220 -18.107 3.965 56 2HB PRO 7 1HB PRO 7 -5.536 -18.681 4.987 57 1HG PRO 7 2HG PRO 7 -4.982 -19.243 2.119 58 2HG PRO 7 1HG PRO 7 -5.668 -20.304 3.361 59 1HD PRO 7 2HD PRO 7 -7.205 -19.182 1.475 60 2HD PRO 7 1HD PRO 7 -7.794 -19.397 3.138 61 H LEU 8 H LEU 8 -4.980 -16.888 1.421 62 HA LEU 8 HA LEU 8 -2.910 -15.074 1.882 63 1HB LEU 8 2HB LEU 8 -4.095 -16.392 -0.386 64 2HB LEU 8 1HB LEU 8 -3.750 -14.722 -0.792 65 HG LEU 8 HG LEU 8 -1.406 -15.376 0.349 66 1HD1 LEU 8 1HD1 LEU 8 -2.232 -17.925 -1.017 67 2HD1 LEU 8 2HD1 LEU 8 -2.259 -17.712 0.733 68 3HD1 LEU 8 3HD1 LEU 8 -0.735 -17.591 -0.145 69 1HD2 LEU 8 1HD2 LEU 8 -0.564 -15.098 -1.726 70 2HD2 LEU 8 2HD2 LEU 8 -2.228 -14.657 -2.108 71 3HD2 LEU 8 3HD2 LEU 8 -1.650 -16.289 -2.446 72 H GLN 9 H GLN 9 -6.223 -14.515 0.728 73 HA GLN 9 HA GLN 9 -5.954 -11.728 0.317 74 1HB GLN 9 2HB GLN 9 -7.779 -13.074 -0.651 75 2HB GLN 9 1HB GLN 9 -8.438 -13.333 0.958 76 1HG GLN 9 2HG GLN 9 -8.377 -10.663 0.951 77 2HG GLN 9 1HG GLN 9 -8.546 -10.949 -0.781 78 1HE2 GLN 9 1HE2 GLN 9 -10.613 -10.297 -1.052 79 2HE2 GLN 9 2HE2 GLN 9 -11.977 -11.046 -0.303 80 H GLU 10 H GLU 10 -6.926 -13.664 3.116 81 HA GLU 10 HA GLU 10 -7.793 -11.570 4.775 82 1HB GLU 10 2HB GLU 10 -6.514 -14.210 5.523 83 2HB GLU 10 1HB GLU 10 -7.337 -13.137 6.650 84 1HG GLU 10 2HG GLU 10 -9.278 -13.429 4.831 85 2HG GLU 10 1HG GLU 10 -8.439 -14.963 4.613 86 H ALA 11 H ALA 11 -4.587 -13.062 4.391 87 HA ALA 11 HA ALA 11 -3.230 -11.595 6.353 88 1HB ALA 11 1HB ALA 11 -2.362 -13.611 5.158 89 2HB ALA 11 2HB ALA 11 -1.207 -12.285 5.283 90 3HB ALA 11 3HB ALA 11 -2.047 -12.579 3.761 91 H LEU 12 H LEU 12 -3.904 -10.866 2.954 92 HA LEU 12 HA LEU 12 -2.321 -8.574 2.685 93 1HB LEU 12 2HB LEU 12 -4.639 -9.741 1.277 94 2HB LEU 12 1HB LEU 12 -4.453 -8.009 1.087 95 HG LEU 12 HG LEU 12 -3.395 -9.257 -0.740 96 1HD1 LEU 12 1HD1 LEU 12 -1.663 -7.818 -0.925 97 2HD1 LEU 12 2HD1 LEU 12 -1.062 -8.154 0.698 98 3HD1 LEU 12 3HD1 LEU 12 -2.443 -7.080 0.475 99 1HD2 LEU 12 1HD2 LEU 12 -1.958 -10.566 1.525 100 2HD2 LEU 12 2HD2 LEU 12 -1.149 -10.382 -0.030 101 3HD2 LEU 12 3HD2 LEU 12 -2.662 -11.280 0.075 102 H ASN 13 H ASN 13 -5.691 -8.928 3.764 103 HA ASN 13 HA ASN 13 -6.241 -6.188 4.096 104 1HB ASN 13 2HB ASN 13 -7.425 -8.609 5.463 105 2HB ASN 13 1HB ASN 13 -8.064 -6.977 5.630 106 1HD2 ASN 13 1HD2 ASN 13 -9.398 -9.301 4.575 107 2HD2 ASN 13 2HD2 ASN 13 -9.827 -8.932 2.944 108 H GLN 14 H GLN 14 -4.692 -8.540 6.208 109 HA GLN 14 HA GLN 14 -4.778 -7.021 8.588 110 1HB GLN 14 2HB GLN 14 -2.808 -9.140 7.695 111 2HB GLN 14 1HB GLN 14 -2.892 -8.483 9.323 112 1HG GLN 14 2HG GLN 14 -5.032 -10.054 7.908 113 2HG GLN 14 1HG GLN 14 -4.011 -10.612 9.231 114 1HE2 GLN 14 1HE2 GLN 14 -7.019 -10.033 8.748 115 2HE2 GLN 14 2HE2 GLN 14 -7.482 -9.197 10.187 116 H LEU 15 H LEU 15 -2.360 -7.259 5.995 117 HA LEU 15 HA LEU 15 -0.447 -5.543 7.157 118 1HB LEU 15 2HB LEU 15 0.189 -6.981 5.348 119 2HB LEU 15 1HB LEU 15 -1.014 -6.278 4.286 120 HG LEU 15 HG LEU 15 1.151 -4.523 5.363 121 1HD1 LEU 15 1HD1 LEU 15 1.481 -6.724 3.382 122 2HD1 LEU 15 2HD1 LEU 15 2.597 -6.136 4.614 123 3HD1 LEU 15 3HD1 LEU 15 2.347 -5.207 3.137 124 1HD2 LEU 15 1HD2 LEU 15 -0.696 -4.585 3.029 125 2HD2 LEU 15 2HD2 LEU 15 0.852 -3.758 2.863 126 3HD2 LEU 15 3HD2 LEU 15 -0.288 -3.255 4.112 127 H MET 16 H MET 16 -3.180 -4.948 4.992 128 HA MET 16 HA MET 16 -2.696 -2.207 4.542 129 1HB MET 16 2HB MET 16 -5.289 -3.763 4.486 130 2HB MET 16 1HB MET 16 -5.099 -2.120 3.887 131 1HG MET 16 2HG MET 16 -3.211 -4.090 2.791 132 2HG MET 16 1HG MET 16 -4.904 -4.331 2.361 133 1HE MET 16 1HE MET 16 -2.653 -0.384 1.547 134 2HE MET 16 2HE MET 16 -1.919 -1.762 2.368 135 3HE MET 16 3HE MET 16 -3.232 -0.871 3.140 136 H ARG 17 H ARG 17 -4.758 -3.867 6.927 137 HA ARG 17 HA ARG 17 -5.818 -1.567 8.131 138 1HB ARG 17 2HB ARG 17 -5.450 -4.401 9.019 139 2HB ARG 17 1HB ARG 17 -5.966 -3.195 10.188 140 1HG ARG 17 2HG ARG 17 -7.750 -2.630 8.349 141 2HG ARG 17 1HG ARG 17 -7.401 -4.277 7.820 142 1HD ARG 17 2HD ARG 17 -7.699 -4.785 10.395 143 2HD ARG 17 1HD ARG 17 -8.662 -3.310 10.335 144 HE ARG 17 HE ARG 17 -9.639 -4.762 8.275 145 1HH1 ARG 17 1HH1 ARG 17 -9.111 -5.490 11.660 146 2HH1 ARG 17 2HH1 ARG 17 -10.417 -6.621 11.747 147 1HH2 ARG 17 1HH2 ARG 17 -11.362 -6.253 8.398 148 2HH2 ARG 17 2HH2 ARG 17 -11.696 -7.055 9.896 149 H GLN 18 H GLN 18 -2.904 -3.444 8.899 150 HA GLN 18 HA GLN 18 -2.158 -2.057 11.215 151 1HB GLN 18 2HB GLN 18 -1.182 -4.212 9.978 152 2HB GLN 18 1HB GLN 18 -0.028 -3.031 9.375 153 1HG GLN 18 2HG GLN 18 1.110 -3.180 11.259 154 2HG GLN 18 1HG GLN 18 -0.293 -2.616 12.164 155 1HE2 GLN 18 1HE2 GLN 18 0.554 -5.622 10.450 156 2HE2 GLN 18 2HE2 GLN 18 0.187 -6.672 11.771 157 H LEU 19 H LEU 19 -1.293 -1.488 7.811 158 HA LEU 19 HA LEU 19 0.371 0.752 8.320 159 1HB LEU 19 2HB LEU 19 -0.930 -0.424 5.908 160 2HB LEU 19 1HB LEU 19 -0.299 1.207 5.801 161 HG LEU 19 HG LEU 19 1.511 -0.886 6.887 162 1HD1 LEU 19 1HD1 LEU 19 1.546 -2.172 5.083 163 2HD1 LEU 19 2HD1 LEU 19 1.819 -0.768 4.050 164 3HD1 LEU 19 3HD1 LEU 19 0.173 -1.273 4.436 165 1HD2 LEU 19 1HD2 LEU 19 3.190 0.479 6.053 166 2HD2 LEU 19 2HD2 LEU 19 1.963 1.637 6.563 167 3HD2 LEU 19 3HD2 LEU 19 2.132 1.226 4.857 168 H GLN 20 H GLN 20 -3.061 0.429 7.489 169 HA GLN 20 HA GLN 20 -3.601 3.174 7.156 170 1HB GLN 20 2HB GLN 20 -5.049 0.810 6.942 171 2HB GLN 20 1HB GLN 20 -5.843 1.666 8.255 172 1HG GLN 20 2HG GLN 20 -6.929 2.893 6.779 173 2HG GLN 20 1HG GLN 20 -5.397 3.548 6.206 174 1HE2 GLN 20 1HE2 GLN 20 -7.548 3.289 4.521 175 2HE2 GLN 20 2HE2 GLN 20 -7.224 2.061 3.350 176 H ARG 21 H ARG 21 -3.769 1.071 10.001 177 HA ARG 21 HA ARG 21 -4.789 3.112 11.728 178 1HB ARG 21 2HB ARG 21 -4.495 0.333 11.849 179 2HB ARG 21 1HB ARG 21 -3.455 0.953 13.122 180 1HG ARG 21 2HG ARG 21 -5.182 1.577 14.402 181 2HG ARG 21 1HG ARG 21 -6.113 2.183 13.031 182 1HD ARG 21 2HD ARG 21 -6.571 -0.219 12.424 183 2HD ARG 21 1HD ARG 21 -5.853 -0.669 13.972 184 HE ARG 21 HE ARG 21 -7.858 1.254 14.409 185 1HH1 ARG 21 1HH1 ARG 21 -7.525 -2.099 13.452 186 2HH1 ARG 21 2HH1 ARG 21 -9.076 -2.557 14.069 187 1HH2 ARG 21 1HH2 ARG 21 -9.905 0.640 15.219 188 2HH2 ARG 21 2HH2 ARG 21 -10.425 -1.005 15.070 189 H LYS 22 H LYS 22 -1.640 2.369 10.581 190 HA LYS 22 HA LYS 22 0.038 2.948 12.668 191 1HB LYS 22 2HB LYS 22 0.212 3.037 9.771 192 2HB LYS 22 1HB LYS 22 1.200 4.285 10.513 193 1HG LYS 22 2HG LYS 22 1.857 2.152 12.037 194 2HG LYS 22 1HG LYS 22 1.538 1.373 10.487 195 1HD LYS 22 2HD LYS 22 3.801 1.894 10.373 196 2HD LYS 22 1HD LYS 22 3.037 3.219 9.496 197 1HE LYS 22 2HE LYS 22 3.567 4.753 11.079 198 2HE LYS 22 1HE LYS 22 3.400 3.602 12.403 199 1HZ LYS 22 1HZ LYS 22 5.657 4.019 12.340 200 2HZ LYS 22 2HZ LYS 22 5.724 4.072 10.652 201 3HZ LYS 22 3HZ LYS 22 5.541 2.591 11.443 202 H ASP 23 H ASP 23 -0.706 5.463 10.246 203 HA ASP 23 HA ASP 23 -1.807 7.419 11.753 204 1HB ASP 23 2HB ASP 23 0.863 7.000 12.666 205 2HB ASP 23 1HB ASP 23 0.779 8.582 11.906 206 HA PRO 24 HA PRO 24 0.777 9.551 8.167 207 1HB PRO 24 2HB PRO 24 1.850 7.099 6.891 208 2HB PRO 24 1HB PRO 24 2.632 8.657 7.168 209 1HG PRO 24 2HG PRO 24 3.281 6.532 8.638 210 2HG PRO 24 1HG PRO 24 3.170 8.143 9.365 211 1HD PRO 24 2HD PRO 24 1.224 5.882 9.486 212 2HD PRO 24 1HD PRO 24 1.730 7.010 10.759 213 H SER 25 H SER 25 -0.707 6.363 7.772 214 HA SER 25 HA SER 25 -1.627 6.656 5.138 215 1HB SER 25 2HB SER 25 -2.688 5.007 7.437 216 2HB SER 25 1HB SER 25 -3.346 4.921 5.801 217 HG SER 25 HG SER 25 -1.768 3.639 5.343 218 H ALA 26 H ALA 26 -2.758 8.102 8.076 219 HA ALA 26 HA ALA 26 -5.449 8.503 7.600 220 1HB ALA 26 1HB ALA 26 -4.129 9.175 9.640 221 2HB ALA 26 2HB ALA 26 -5.351 10.326 9.104 222 3HB ALA 26 3HB ALA 26 -3.649 10.620 8.748 223 H PHE 27 H PHE 27 -2.719 10.025 6.032 224 HA PHE 27 HA PHE 27 -4.365 12.058 4.771 225 1HB PHE 27 2HB PHE 27 -1.441 11.389 4.392 226 2HB PHE 27 1HB PHE 27 -2.271 12.781 3.703 227 HD1 PHE 27 2HD PHE 27 -1.070 11.246 6.827 228 HD2 PHE 27 1HD PHE 27 -2.742 14.711 5.008 229 HE1 PHE 27 2HE PHE 27 -0.568 12.549 8.854 230 HE2 PHE 27 1HE PHE 27 -2.247 16.019 7.033 231 HZ PHE 27 HZ PHE 27 -1.159 14.938 8.959 232 H PHE 28 H PHE 28 -2.830 8.995 3.923 233 HA PHE 28 HA PHE 28 -3.945 9.237 1.204 234 1HB PHE 28 2HB PHE 28 -1.844 7.245 2.056 235 2HB PHE 28 1HB PHE 28 -2.265 7.752 0.425 236 HD1 PHE 28 1HD PHE 28 -2.016 10.419 0.097 237 HD2 PHE 28 2HD PHE 28 0.133 8.035 2.891 238 HE1 PHE 28 1HE PHE 28 -0.236 12.114 0.169 239 HE2 PHE 28 2HE PHE 28 1.919 9.728 2.968 240 HZ PHE 28 HZ PHE 28 1.734 11.771 1.603 241 H SER 29 H SER 29 -5.475 8.457 3.578 242 HA SER 29 HA SER 29 -5.899 5.597 3.265 243 1HB SER 29 2HB SER 29 -5.934 6.359 5.527 244 2HB SER 29 1HB SER 29 -7.054 7.664 5.144 245 HG SER 29 HG SER 29 -7.641 5.223 5.955 246 H PHE 30 H PHE 30 -6.932 8.286 1.635 247 HA PHE 30 HA PHE 30 -9.422 6.944 0.832 248 1HB PHE 30 2HB PHE 30 -9.065 9.633 1.907 249 2HB PHE 30 1HB PHE 30 -9.860 9.645 0.338 250 HD1 PHE 30 1HD PHE 30 -10.064 7.445 3.364 251 HD2 PHE 30 2HD PHE 30 -12.121 9.857 0.524 252 HE1 PHE 30 1HE PHE 30 -12.203 6.889 4.446 253 HE2 PHE 30 2HE PHE 30 -14.261 9.306 1.600 254 HZ PHE 30 HZ PHE 30 -14.306 7.822 3.563 255 HA PRO 31 HA PRO 31 -7.936 7.349 -3.300 256 1HB PRO 31 2HB PRO 31 -10.220 7.685 -4.717 257 2HB PRO 31 1HB PRO 31 -9.795 6.151 -3.951 258 1HG PRO 31 2HG PRO 31 -11.669 8.282 -3.009 259 2HG PRO 31 1HG PRO 31 -11.867 6.521 -2.974 260 1HD PRO 31 2HD PRO 31 -11.122 7.976 -0.800 261 2HD PRO 31 1HD PRO 31 -10.622 6.293 -1.058 262 H VAL 32 H VAL 32 -6.732 9.204 -3.512 263 HA VAL 32 HA VAL 32 -7.631 11.811 -3.270 264 HB VAL 32 HB VAL 32 -5.692 12.326 -4.966 265 1HG1 VAL 32 1HG1 VAL 32 -4.101 12.199 -3.103 266 2HG1 VAL 32 2HG1 VAL 32 -5.246 11.198 -2.208 267 3HG1 VAL 32 3HG1 VAL 32 -5.657 12.866 -2.608 268 1HG2 VAL 32 1HG2 VAL 32 -5.725 9.605 -5.196 269 2HG2 VAL 32 2HG2 VAL 32 -4.414 9.882 -4.053 270 3HG2 VAL 32 3HG2 VAL 32 -4.381 10.657 -5.635 271 H THR 33 H THR 33 -8.245 13.413 -4.716 272 HA THR 33 HA THR 33 -9.005 12.547 -7.412 273 HB THR 33 HB THR 33 -10.927 14.364 -6.103 274 HG1 THR 33 1HG THR 33 -11.902 12.722 -4.911 275 1HG2 THR 33 1HG2 THR 33 -12.204 12.083 -7.091 276 2HG2 THR 33 2HG2 THR 33 -10.909 12.451 -8.231 277 3HG2 THR 33 3HG2 THR 33 -12.111 13.681 -7.832 278 H ASP 34 H ASP 34 -10.275 14.937 -8.179 279 HA ASP 34 HA ASP 34 -7.992 16.584 -8.673 280 1HB ASP 34 2HB ASP 34 -10.346 16.096 -9.989 281 2HB ASP 34 1HB ASP 34 -10.615 17.711 -9.346 282 H PHE 35 H PHE 35 -9.926 16.407 -6.004 283 HA PHE 35 HA PHE 35 -9.387 19.213 -5.305 284 1HB PHE 35 2HB PHE 35 -11.822 17.770 -4.280 285 2HB PHE 35 1HB PHE 35 -11.490 19.498 -4.291 286 HD1 PHE 35 2HD PHE 35 -12.067 16.636 -6.601 287 HD2 PHE 35 1HD PHE 35 -12.410 20.826 -5.937 288 HE1 PHE 35 2HE PHE 35 -13.331 16.864 -8.703 289 HE2 PHE 35 1HE PHE 35 -13.670 21.062 -8.035 290 HZ PHE 35 HZ PHE 35 -14.133 19.080 -9.422 291 H ILE 36 H ILE 36 -10.051 15.936 -4.155 292 HA ILE 36 HA ILE 36 -9.305 16.357 -1.467 293 HB ILE 36 HB ILE 36 -9.463 13.869 -3.164 294 1HG1 ILE 36 2HG1 ILE 36 -11.184 14.610 -0.811 295 2HG1 ILE 36 1HG1 ILE 36 -11.528 15.237 -2.419 296 1HG2 ILE 36 1HG2 ILE 36 -7.853 13.295 -1.561 297 2HG2 ILE 36 2HG2 ILE 36 -9.373 12.661 -0.936 298 3HG2 ILE 36 3HG2 ILE 36 -8.702 14.152 -0.275 299 1HD1 ILE 36 1HD1 ILE 36 -11.139 12.419 -2.583 300 2HD1 ILE 36 2HD1 ILE 36 -12.580 13.371 -2.945 301 3HD1 ILE 36 3HD1 ILE 36 -12.301 12.777 -1.307 302 H ALA 37 H ALA 37 -7.494 15.734 -4.386 303 HA ALA 37 HA ALA 37 -5.025 15.346 -2.838 304 1HB ALA 37 1HB ALA 37 -5.985 14.005 -5.041 305 2HB ALA 37 2HB ALA 37 -4.322 13.978 -4.456 306 3HB ALA 37 3HB ALA 37 -4.790 15.105 -5.727 307 HA PRO 38 HA PRO 38 -3.609 19.391 -3.901 308 1HB PRO 38 2HB PRO 38 -0.937 19.068 -3.804 309 2HB PRO 38 1HB PRO 38 -1.942 19.067 -2.351 310 1HG PRO 38 2HG PRO 38 -0.804 16.760 -3.878 311 2HG PRO 38 1HG PRO 38 -0.919 16.993 -2.126 312 1HD PRO 38 2HD PRO 38 -2.652 15.443 -3.551 313 2HD PRO 38 1HD PRO 38 -3.096 16.274 -2.049 314 H GLY 39 H GLY 39 -3.293 16.893 -5.938 315 1HA GLY 39 2HA GLY 39 -3.442 17.930 -8.339 316 2HA GLY 39 1HA GLY 39 -1.759 18.292 -7.992 317 H TYR 40 H TYR 40 -3.345 15.339 -6.909 318 HA TYR 40 HA TYR 40 -1.343 13.692 -8.044 319 1HB TYR 40 2HB TYR 40 -3.971 13.163 -6.689 320 2HB TYR 40 1HB TYR 40 -3.119 11.848 -7.487 321 HD1 TYR 40 1HD TYR 40 -1.940 14.708 -5.385 322 HD2 TYR 40 2HD TYR 40 -2.146 10.479 -5.876 323 HE1 TYR 40 1HE TYR 40 -0.554 14.411 -3.383 324 HE2 TYR 40 2HE TYR 40 -0.761 10.178 -3.874 325 HH TYR 40 HH TYR 40 -0.078 12.725 -1.701 326 H SER 41 H SER 41 -4.778 14.153 -8.909 327 HA SER 41 HA SER 41 -4.712 12.474 -11.181 328 1HB SER 41 2HB SER 41 -6.738 13.495 -9.861 329 2HB SER 41 1HB SER 41 -6.584 14.808 -11.029 330 HG SER 41 HG SER 41 -7.917 13.423 -12.020 331 H MET 42 H MET 42 -3.696 15.766 -10.713 332 HA MET 42 HA MET 42 -3.762 16.492 -13.482 333 1HB MET 42 2HB MET 42 -3.958 18.093 -11.558 334 2HB MET 42 1HB MET 42 -2.246 17.842 -11.251 335 1HG MET 42 2HG MET 42 -1.915 19.578 -12.593 336 2HG MET 42 1HG MET 42 -2.285 18.475 -13.916 337 1HE MET 42 1HE MET 42 -3.366 22.206 -13.380 338 2HE MET 42 2HE MET 42 -2.903 21.316 -11.927 339 3HE MET 42 3HE MET 42 -4.567 21.863 -12.133 340 H ILE 43 H ILE 43 -1.388 14.954 -11.416 341 HA ILE 43 HA ILE 43 0.559 15.142 -13.626 342 HB ILE 43 HB ILE 43 1.183 16.327 -11.478 343 1HG1 ILE 43 2HG1 ILE 43 3.459 14.720 -11.536 344 2HG1 ILE 43 1HG1 ILE 43 2.748 14.517 -13.133 345 1HG2 ILE 43 1HG2 ILE 43 1.566 13.514 -10.465 346 2HG2 ILE 43 2HG2 ILE 43 0.323 14.641 -9.918 347 3HG2 ILE 43 3HG2 ILE 43 2.025 14.998 -9.634 348 1HD1 ILE 43 1HD1 ILE 43 4.265 16.694 -12.102 349 2HD1 ILE 43 2HD1 ILE 43 2.663 17.266 -12.562 350 3HD1 ILE 43 3HD1 ILE 43 3.671 16.427 -13.741 351 H ILE 44 H ILE 44 -0.640 13.038 -11.031 352 HA ILE 44 HA ILE 44 0.503 10.750 -12.442 353 HB ILE 44 HB ILE 44 0.587 11.471 -9.677 354 1HG1 ILE 44 2HG1 ILE 44 1.856 9.086 -9.868 355 2HG1 ILE 44 1HG1 ILE 44 1.795 9.552 -11.560 356 1HG2 ILE 44 1HG2 ILE 44 -1.394 10.231 -9.228 357 2HG2 ILE 44 2HG2 ILE 44 -0.027 9.250 -8.706 358 3HG2 ILE 44 3HG2 ILE 44 -0.846 8.881 -10.223 359 1HD1 ILE 44 1HD1 ILE 44 2.834 11.710 -10.928 360 2HD1 ILE 44 2HD1 ILE 44 3.852 10.300 -10.630 361 3HD1 ILE 44 3HD1 ILE 44 3.019 11.085 -9.290 362 H LYS 45 H LYS 45 -0.928 9.951 -13.711 363 HA LYS 45 HA LYS 45 -3.671 10.162 -13.668 364 1HB LYS 45 2HB LYS 45 -1.760 8.262 -14.930 365 2HB LYS 45 1HB LYS 45 -3.468 7.847 -14.963 366 1HG LYS 45 2HG LYS 45 -3.476 9.032 -16.863 367 2HG LYS 45 1HG LYS 45 -3.569 10.421 -15.780 368 1HD LYS 45 2HD LYS 45 -1.746 11.140 -16.878 369 2HD LYS 45 1HD LYS 45 -0.879 9.976 -15.873 370 1HE LYS 45 2HE LYS 45 -0.902 8.341 -17.593 371 2HE LYS 45 1HE LYS 45 -2.060 9.264 -18.549 372 1HZ LYS 45 1HZ LYS 45 -0.462 10.689 -19.283 373 2HZ LYS 45 2HZ LYS 45 0.491 9.307 -19.089 374 3HZ LYS 45 3HZ LYS 45 0.512 10.519 -17.910 375 H HIS 46 H HIS 46 -1.829 7.278 -12.584 376 HA HIS 46 HA HIS 46 -4.148 6.598 -10.897 377 1HB HIS 46 2HB HIS 46 -2.729 5.031 -12.874 378 2HB HIS 46 1HB HIS 46 -2.708 4.238 -11.305 379 HD1 HIS 46 1HD HIS 46 -4.814 4.790 -14.223 380 HD2 HIS 46 2HD HIS 46 -5.397 3.815 -10.225 381 HE1 HIS 46 1HE HIS 46 -7.151 3.872 -14.088 382 HE2 HIS 46 2HE HIS 46 -7.450 3.209 -11.676 383 HA PRO 47 HA PRO 47 -0.738 7.098 -7.876 384 1HB PRO 47 2HB PRO 47 -2.276 8.089 -5.894 385 2HB PRO 47 1HB PRO 47 -1.674 9.098 -7.215 386 1HG PRO 47 2HG PRO 47 -4.385 7.925 -6.803 387 2HG PRO 47 1HG PRO 47 -3.932 9.505 -7.462 388 1HD PRO 47 2HD PRO 47 -4.668 7.327 -8.986 389 2HD PRO 47 1HD PRO 47 -3.690 8.685 -9.573 390 H MET 48 H MET 48 -3.956 5.717 -7.456 391 HA MET 48 HA MET 48 -4.779 3.950 -6.313 392 1HB MET 48 2HB MET 48 -1.930 3.052 -6.713 393 2HB MET 48 1HB MET 48 -3.154 2.019 -5.987 394 1HG MET 48 2HG MET 48 -3.144 3.163 -8.769 395 2HG MET 48 1HG MET 48 -2.972 1.472 -8.304 396 1HE MET 48 1HE MET 48 -6.325 0.394 -9.251 397 2HE MET 48 2HE MET 48 -5.220 -0.170 -7.996 398 3HE MET 48 3HE MET 48 -4.587 0.386 -9.547 399 H ASP 49 H ASP 49 -5.286 5.114 -4.440 400 HA ASP 49 HA ASP 49 -3.395 5.335 -2.266 401 1HB ASP 49 2HB ASP 49 -6.356 5.943 -2.378 402 2HB ASP 49 1HB ASP 49 -5.293 6.329 -1.029 403 H PHE 50 H PHE 50 -4.225 4.686 -0.016 404 HA PHE 50 HA PHE 50 -4.263 1.907 0.184 405 1HB PHE 50 2HB PHE 50 -4.813 4.138 2.092 406 2HB PHE 50 1HB PHE 50 -5.236 2.499 2.573 407 HD1 PHE 50 1HD PHE 50 -2.407 4.534 1.287 408 HD2 PHE 50 2HD PHE 50 -3.634 1.088 3.459 409 HE1 PHE 50 1HE PHE 50 -0.072 4.114 1.935 410 HE2 PHE 50 2HE PHE 50 -1.303 0.663 4.112 411 HZ PHE 50 HZ PHE 50 0.482 2.177 3.352 412 H SER 51 H SER 51 -6.960 4.214 0.174 413 HA SER 51 HA SER 51 -8.976 2.354 0.875 414 1HB SER 51 2HB SER 51 -8.934 5.061 0.555 415 2HB SER 51 1HB SER 51 -9.789 4.566 -0.904 416 HG SER 51 HG SER 51 -11.450 4.446 0.375 417 H THR 52 H THR 52 -7.686 3.425 -2.249 418 HA THR 52 HA THR 52 -9.554 2.049 -3.861 419 HB THR 52 HB THR 52 -6.793 2.416 -4.894 420 HG1 THR 52 1HG THR 52 -8.429 4.616 -4.164 421 1HG2 THR 52 1HG2 THR 52 -9.553 2.714 -5.889 422 2HG2 THR 52 2HG2 THR 52 -8.113 2.073 -6.685 423 3HG2 THR 52 3HG2 THR 52 -8.342 3.817 -6.547 424 H MET 53 H MET 53 -6.245 1.189 -2.850 425 HA MET 53 HA MET 53 -6.251 -1.353 -4.095 426 1HB MET 53 2HB MET 53 -4.258 -1.825 -2.732 427 2HB MET 53 1HB MET 53 -4.162 -0.258 -3.522 428 1HG MET 53 2HG MET 53 -4.940 0.754 -1.353 429 2HG MET 53 1HG MET 53 -4.712 -0.834 -0.626 430 1HE MET 53 1HE MET 53 -1.531 -1.546 0.014 431 2HE MET 53 2HE MET 53 -1.231 -1.648 -1.721 432 3HE MET 53 3HE MET 53 -2.777 -2.180 -1.062 433 H LYS 54 H LYS 54 -7.046 -0.312 -0.792 434 HA LYS 54 HA LYS 54 -7.327 -2.845 0.365 435 1HB LYS 54 2HB LYS 54 -7.315 -0.637 1.574 436 2HB LYS 54 1HB LYS 54 -8.977 -0.407 1.049 437 1HG LYS 54 2HG LYS 54 -8.588 -2.978 2.331 438 2HG LYS 54 1HG LYS 54 -8.132 -1.631 3.376 439 1HD LYS 54 2HD LYS 54 -10.301 -1.424 3.854 440 2HD LYS 54 1HD LYS 54 -10.503 -0.796 2.216 441 1HE LYS 54 2HE LYS 54 -10.481 -3.526 1.846 442 2HE LYS 54 1HE LYS 54 -11.348 -3.338 3.369 443 1HZ LYS 54 1HZ LYS 54 -13.046 -2.210 2.369 444 2HZ LYS 54 2HZ LYS 54 -12.597 -3.229 1.096 445 3HZ LYS 54 3HZ LYS 54 -12.086 -1.617 1.108 446 H GLU 55 H GLU 55 -9.709 -0.833 -1.347 447 HA GLU 55 HA GLU 55 -11.923 -2.546 -0.971 448 1HB GLU 55 2HB GLU 55 -11.677 -0.072 -1.956 449 2HB GLU 55 1HB GLU 55 -11.715 -0.950 -3.476 450 1HG GLU 55 2HG GLU 55 -13.799 -1.694 -1.542 451 2HG GLU 55 1HG GLU 55 -13.898 -0.052 -2.170 452 H LYS 56 H LYS 56 -9.379 -2.415 -3.395 453 HA LYS 56 HA LYS 56 -10.486 -4.322 -5.174 454 1HB LYS 56 2HB LYS 56 -7.693 -3.282 -4.739 455 2HB LYS 56 1HB LYS 56 -8.054 -4.507 -5.949 456 1HG LYS 56 2HG LYS 56 -9.762 -2.119 -6.043 457 2HG LYS 56 1HG LYS 56 -8.057 -1.848 -6.409 458 1HD LYS 56 2HD LYS 56 -8.122 -3.524 -8.145 459 2HD LYS 56 1HD LYS 56 -9.785 -3.942 -7.723 460 1HE LYS 56 2HE LYS 56 -10.405 -1.568 -8.265 461 2HE LYS 56 1HE LYS 56 -8.774 -1.362 -8.902 462 1HZ LYS 56 1HZ LYS 56 -10.654 -1.989 -10.507 463 2HZ LYS 56 2HZ LYS 56 -10.494 -3.551 -9.876 464 3HZ LYS 56 3HZ LYS 56 -9.179 -2.809 -10.641 465 H ILE 57 H ILE 57 -8.206 -4.590 -2.459 466 HA ILE 57 HA ILE 57 -7.535 -7.290 -2.795 467 HB ILE 57 HB ILE 57 -7.749 -5.844 -0.150 468 1HG1 ILE 57 2HG1 ILE 57 -5.131 -6.165 -1.511 469 2HG1 ILE 57 1HG1 ILE 57 -6.225 -4.974 -2.205 470 1HG2 ILE 57 1HG2 ILE 57 -6.812 -7.631 0.810 471 2HG2 ILE 57 2HG2 ILE 57 -5.647 -7.829 -0.498 472 3HG2 ILE 57 3HG2 ILE 57 -7.267 -8.505 -0.652 473 1HD1 ILE 57 1HD1 ILE 57 -4.515 -4.700 0.012 474 2HD1 ILE 57 2HD1 ILE 57 -6.170 -4.627 0.617 475 3HD1 ILE 57 3HD1 ILE 57 -5.642 -3.520 -0.649 476 H LYS 58 H LYS 58 -10.254 -5.776 -1.106 477 HA LYS 58 HA LYS 58 -11.273 -8.050 0.165 478 1HB LYS 58 2HB LYS 58 -11.975 -5.634 0.489 479 2HB LYS 58 1HB LYS 58 -12.954 -5.812 -0.960 480 1HG LYS 58 2HG LYS 58 -14.462 -7.201 0.059 481 2HG LYS 58 1HG LYS 58 -13.295 -7.778 1.248 482 1HD LYS 58 2HD LYS 58 -13.692 -6.060 2.669 483 2HD LYS 58 1HD LYS 58 -13.944 -4.901 1.364 484 1HE LYS 58 2HE LYS 58 -16.038 -6.865 1.349 485 2HE LYS 58 1HE LYS 58 -15.890 -6.161 2.957 486 1HZ LYS 58 1HZ LYS 58 -15.787 -3.960 1.511 487 2HZ LYS 58 2HZ LYS 58 -17.252 -4.633 2.022 488 3HZ LYS 58 3HZ LYS 58 -16.698 -4.911 0.448 489 H ASN 59 H ASN 59 -11.262 -7.225 -3.195 490 HA ASN 59 HA ASN 59 -13.331 -9.224 -3.779 491 1HB ASN 59 2HB ASN 59 -12.237 -6.861 -5.234 492 2HB ASN 59 1HB ASN 59 -12.845 -8.207 -6.187 493 1HD2 ASN 59 1HD2 ASN 59 -13.674 -5.717 -3.891 494 2HD2 ASN 59 2HD2 ASN 59 -15.383 -5.790 -4.134 495 H ASN 60 H ASN 60 -10.386 -9.654 -3.009 496 HA ASN 60 HA ASN 60 -8.711 -11.095 -3.509 497 1HB ASN 60 2HB ASN 60 -11.058 -12.325 -4.469 498 2HB ASN 60 1HB ASN 60 -9.857 -12.525 -5.741 499 1HD2 ASN 60 1HD2 ASN 60 -9.991 -12.672 -2.191 500 2HD2 ASN 60 2HD2 ASN 60 -9.087 -14.137 -2.052 501 H ASP 61 H ASP 61 -9.141 -8.539 -5.040 502 HA ASP 61 HA ASP 61 -8.068 -9.007 -7.658 503 1HB ASP 61 2HB ASP 61 -9.489 -6.983 -6.637 504 2HB ASP 61 1HB ASP 61 -7.875 -6.322 -6.390 505 H TYR 62 H TYR 62 -6.808 -7.887 -4.551 506 HA TYR 62 HA TYR 62 -4.082 -8.087 -5.639 507 1HB TYR 62 2HB TYR 62 -5.185 -6.382 -3.404 508 2HB TYR 62 1HB TYR 62 -3.460 -6.593 -3.687 509 HD1 TYR 62 1HD TYR 62 -2.792 -6.186 -6.272 510 HD2 TYR 62 2HD TYR 62 -6.144 -4.486 -4.282 511 HE1 TYR 62 1HE TYR 62 -2.848 -4.377 -7.930 512 HE2 TYR 62 2HE TYR 62 -6.209 -2.669 -5.937 513 HH TYR 62 HH TYR 62 -4.570 -2.777 -8.847 514 H GLN 63 H GLN 63 -3.525 -10.146 -5.222 515 HA GLN 63 HA GLN 63 -3.265 -10.913 -2.427 516 1HB GLN 63 2HB GLN 63 -4.238 -13.068 -2.719 517 2HB GLN 63 1HB GLN 63 -5.388 -11.906 -3.364 518 1HG GLN 63 2HG GLN 63 -4.847 -12.470 -5.596 519 2HG GLN 63 1HG GLN 63 -3.440 -13.403 -5.089 520 1HE2 GLN 63 1HE2 GLN 63 -5.988 -14.047 -6.599 521 2HE2 GLN 63 2HE2 GLN 63 -6.600 -15.454 -5.804 522 H SER 64 H SER 64 -1.623 -10.072 -4.856 523 HA SER 64 HA SER 64 0.311 -12.278 -4.742 524 1HB SER 64 2HB SER 64 0.669 -10.649 -7.098 525 2HB SER 64 1HB SER 64 0.380 -12.383 -6.984 526 HG SER 64 HG SER 64 -1.522 -10.294 -7.172 527 H ILE 65 H ILE 65 2.349 -11.719 -4.263 528 HA ILE 65 HA ILE 65 2.934 -9.402 -2.897 529 HB ILE 65 HB ILE 65 5.247 -10.015 -2.966 530 1HG1 ILE 65 2HG1 ILE 65 5.347 -10.527 -5.425 531 2HG1 ILE 65 1HG1 ILE 65 6.208 -11.669 -4.403 532 1HG2 ILE 65 1HG2 ILE 65 4.495 -11.440 -1.425 533 2HG2 ILE 65 2HG2 ILE 65 4.817 -12.668 -2.648 534 3HG2 ILE 65 3HG2 ILE 65 3.189 -12.020 -2.459 535 1HD1 ILE 65 1HD1 ILE 65 3.607 -12.052 -5.840 536 2HD1 ILE 65 2HD1 ILE 65 4.128 -13.120 -4.535 537 3HD1 ILE 65 3HD1 ILE 65 5.104 -12.970 -5.996 538 H GLU 66 H GLU 66 3.435 -10.109 -6.336 539 HA GLU 66 HA GLU 66 4.843 -7.700 -6.916 540 1HB GLU 66 2HB GLU 66 3.770 -9.979 -8.412 541 2HB GLU 66 1HB GLU 66 3.658 -8.458 -9.290 542 1HG GLU 66 2HG GLU 66 5.724 -9.070 -9.954 543 2HG GLU 66 1HG GLU 66 6.169 -8.241 -8.464 544 H GLU 67 H GLU 67 1.457 -8.684 -7.129 545 HA GLU 67 HA GLU 67 0.484 -6.348 -8.378 546 1HB GLU 67 2HB GLU 67 -0.570 -8.739 -7.925 547 2HB GLU 67 1HB GLU 67 -1.242 -7.922 -6.523 548 1HG GLU 67 2HG GLU 67 -2.906 -7.649 -8.068 549 2HG GLU 67 1HG GLU 67 -2.005 -6.145 -8.250 550 H LEU 68 H LEU 68 0.575 -7.314 -4.945 551 HA LEU 68 HA LEU 68 -0.653 -4.941 -3.990 552 1HB LEU 68 2HB LEU 68 0.123 -5.655 -1.764 553 2HB LEU 68 1HB LEU 68 -0.703 -6.927 -2.639 554 HG LEU 68 HG LEU 68 1.804 -7.568 -3.302 555 1HD1 LEU 68 1HD1 LEU 68 3.432 -6.827 -1.964 556 2HD1 LEU 68 2HD1 LEU 68 2.424 -6.909 -0.522 557 3HD1 LEU 68 3HD1 LEU 68 2.320 -5.510 -1.592 558 1HD2 LEU 68 1HD2 LEU 68 1.771 -9.094 -1.300 559 2HD2 LEU 68 2HD2 LEU 68 0.331 -9.138 -2.317 560 3HD2 LEU 68 3HD2 LEU 68 0.306 -8.258 -0.790 561 H LYS 69 H LYS 69 2.757 -5.934 -4.248 562 HA LYS 69 HA LYS 69 3.826 -3.627 -3.028 563 1HB LYS 69 2HB LYS 69 4.947 -5.913 -3.676 564 2HB LYS 69 1HB LYS 69 5.330 -5.074 -5.174 565 1HG LYS 69 2HG LYS 69 6.943 -3.866 -4.216 566 2HG LYS 69 1HG LYS 69 5.971 -3.529 -2.784 567 1HD LYS 69 2HD LYS 69 7.479 -4.855 -1.759 568 2HD LYS 69 1HD LYS 69 6.492 -6.159 -2.419 569 1HE LYS 69 2HE LYS 69 7.962 -6.391 -4.305 570 2HE LYS 69 1HE LYS 69 8.879 -4.967 -3.819 571 1HZ LYS 69 1HZ LYS 69 10.200 -6.592 -2.974 572 2HZ LYS 69 2HZ LYS 69 8.926 -7.674 -2.713 573 3HZ LYS 69 3HZ LYS 69 9.177 -6.390 -1.640 574 H ASP 70 H ASP 70 2.998 -4.359 -6.393 575 HA ASP 70 HA ASP 70 4.180 -2.094 -7.566 576 1HB ASP 70 2HB ASP 70 2.199 -4.123 -8.368 577 2HB ASP 70 1HB ASP 70 2.030 -2.576 -9.187 578 H ASN 71 H ASN 71 0.884 -2.609 -6.327 579 HA ASN 71 HA ASN 71 -0.063 -0.032 -7.036 580 1HB ASN 71 2HB ASN 71 -1.160 -2.384 -5.953 581 2HB ASN 71 1HB ASN 71 -1.477 -1.122 -4.768 582 1HD2 ASN 71 1HD2 ASN 71 -1.418 -1.305 -8.320 583 2HD2 ASN 71 2HD2 ASN 71 -2.974 -0.595 -8.546 584 H PHE 72 H PHE 72 1.056 -1.364 -3.918 585 HA PHE 72 HA PHE 72 0.710 1.019 -2.446 586 1HB PHE 72 2HB PHE 72 0.960 -1.160 -1.353 587 2HB PHE 72 1HB PHE 72 2.610 -1.289 -1.952 588 HD1 PHE 72 2HD PHE 72 0.749 1.505 -0.311 589 HD2 PHE 72 1HD PHE 72 4.053 -1.178 -0.164 590 HE1 PHE 72 2HE PHE 72 1.579 2.636 1.707 591 HE2 PHE 72 1HE PHE 72 4.884 -0.050 1.857 592 HZ PHE 72 HZ PHE 72 3.646 1.860 2.795 593 H LYS 73 H LYS 73 3.557 -0.348 -4.077 594 HA LYS 73 HA LYS 73 5.361 1.691 -3.372 595 1HB LYS 73 2HB LYS 73 6.011 -0.535 -4.267 596 2HB LYS 73 1HB LYS 73 5.408 -0.047 -5.844 597 1HG LYS 73 2HG LYS 73 7.137 1.975 -5.297 598 2HG LYS 73 1HG LYS 73 7.922 0.615 -4.490 599 1HD LYS 73 2HD LYS 73 7.453 -0.641 -6.718 600 2HD LYS 73 1HD LYS 73 7.270 0.980 -7.392 601 1HE LYS 73 2HE LYS 73 9.691 0.043 -5.857 602 2HE LYS 73 1HE LYS 73 9.562 0.011 -7.615 603 1HZ LYS 73 1HZ LYS 73 9.491 2.412 -5.868 604 2HZ LYS 73 2HZ LYS 73 9.178 2.442 -7.528 605 3HZ LYS 73 3HZ LYS 73 10.706 1.987 -6.967 606 H LEU 74 H LEU 74 3.058 1.398 -6.038 607 HA LEU 74 HA LEU 74 4.015 3.526 -7.604 608 1HB LEU 74 2HB LEU 74 1.595 1.891 -7.483 609 2HB LEU 74 1HB LEU 74 1.293 3.528 -8.040 610 HG LEU 74 HG LEU 74 3.520 1.969 -9.282 611 1HD1 LEU 74 1HD1 LEU 74 1.461 0.518 -9.213 612 2HD1 LEU 74 2HD1 LEU 74 2.096 0.878 -10.818 613 3HD1 LEU 74 3HD1 LEU 74 0.673 1.733 -10.221 614 1HD2 LEU 74 1HD2 LEU 74 3.513 4.101 -10.128 615 2HD2 LEU 74 2HD2 LEU 74 1.762 4.270 -9.981 616 3HD2 LEU 74 3HD2 LEU 74 2.449 3.291 -11.278 617 H MET 75 H MET 75 1.550 3.486 -5.015 618 HA MET 75 HA MET 75 0.899 6.233 -5.256 619 1HB MET 75 2HB MET 75 -0.315 4.286 -3.961 620 2HB MET 75 1HB MET 75 0.668 4.854 -2.620 621 1HG MET 75 2HG MET 75 -0.948 6.807 -4.202 622 2HG MET 75 1HG MET 75 -1.725 5.804 -2.976 623 1HE MET 75 1HE MET 75 -0.643 5.523 -0.593 624 2HE MET 75 2HE MET 75 0.212 6.811 0.256 625 3HE MET 75 3HE MET 75 1.081 5.771 -0.874 626 H CYS 76 H CYS 76 3.186 4.521 -3.130 627 HA CYS 76 HA CYS 76 3.982 6.776 -1.659 628 1HB CYS 76 2HB CYS 76 5.714 5.447 -0.800 629 2HB CYS 76 1HB CYS 76 4.430 4.306 -1.155 630 HG CYS 76 HG CYS 76 6.988 4.589 -2.909 631 H THR 77 H THR 77 5.265 5.360 -4.661 632 HA THR 77 HA THR 77 7.404 7.239 -4.878 633 HB THR 77 HB THR 77 7.369 4.951 -5.940 634 HG1 THR 77 1HG THR 77 8.639 5.638 -7.587 635 1HG2 THR 77 1HG2 THR 77 6.433 4.720 -8.168 636 2HG2 THR 77 2HG2 THR 77 5.668 6.301 -8.022 637 3HG2 THR 77 3HG2 THR 77 5.165 4.979 -6.972 638 H ASN 78 H ASN 78 4.126 7.072 -6.214 639 HA ASN 78 HA ASN 78 4.398 9.296 -7.955 640 1HB ASN 78 2HB ASN 78 1.972 7.952 -6.750 641 2HB ASN 78 1HB ASN 78 1.876 9.245 -7.933 642 1HD2 ASN 78 1HD2 ASN 78 0.627 7.421 -8.985 643 2HD2 ASN 78 2HD2 ASN 78 1.513 6.363 -10.013 644 H ALA 79 H ALA 79 3.170 8.912 -4.654 645 HA ALA 79 HA ALA 79 2.315 11.597 -4.325 646 1HB ALA 79 1HB ALA 79 2.976 9.449 -2.321 647 2HB ALA 79 2HB ALA 79 1.381 9.915 -2.916 648 3HB ALA 79 3HB ALA 79 2.301 11.019 -1.893 649 H MET 80 H MET 80 5.324 9.896 -3.468 650 HA MET 80 HA MET 80 6.498 12.073 -2.096 651 1HB MET 80 2HB MET 80 8.543 10.838 -2.143 652 2HB MET 80 1HB MET 80 7.236 9.686 -1.915 653 1HG MET 80 2HG MET 80 7.359 9.039 -4.242 654 2HG MET 80 1HG MET 80 8.599 10.253 -4.539 655 1HE MET 80 1HE MET 80 11.681 8.325 -4.231 656 2HE MET 80 2HE MET 80 10.928 9.904 -4.450 657 3HE MET 80 3HE MET 80 10.485 8.563 -5.506 658 H ILE 81 H ILE 81 6.631 11.066 -5.508 659 HA ILE 81 HA ILE 81 8.602 12.929 -6.285 660 HB ILE 81 HB ILE 81 7.995 11.009 -7.695 661 1HG1 ILE 81 2HG1 ILE 81 7.784 12.369 -9.888 662 2HG1 ILE 81 1HG1 ILE 81 7.839 13.785 -8.845 663 1HG2 ILE 81 1HG2 ILE 81 5.677 10.802 -7.550 664 2HG2 ILE 81 2HG2 ILE 81 5.959 11.335 -9.205 665 3HG2 ILE 81 3HG2 ILE 81 5.403 12.485 -7.991 666 1HD1 ILE 81 1HD1 ILE 81 9.951 11.645 -8.955 667 2HD1 ILE 81 2HD1 ILE 81 10.012 13.144 -8.026 668 3HD1 ILE 81 3HD1 ILE 81 10.027 13.196 -9.790 669 H TYR 82 H TYR 82 5.063 13.174 -6.062 670 HA TYR 82 HA TYR 82 5.282 15.987 -6.890 671 1HB TYR 82 2HB TYR 82 3.544 14.228 -7.868 672 2HB TYR 82 1HB TYR 82 2.614 14.722 -6.455 673 HD1 TYR 82 2HD TYR 82 4.828 16.694 -8.733 674 HD2 TYR 82 1HD TYR 82 0.895 16.088 -7.224 675 HE1 TYR 82 2HE TYR 82 4.063 18.690 -9.944 676 HE2 TYR 82 1HE TYR 82 0.120 18.083 -8.434 677 HH TYR 82 HH TYR 82 1.663 19.472 -10.886 678 H ASN 83 H ASN 83 6.246 15.316 -4.360 679 HA ASN 83 HA ASN 83 4.824 17.173 -2.759 680 1HB ASN 83 2HB ASN 83 3.571 14.834 -2.591 681 2HB ASN 83 1HB ASN 83 4.852 14.499 -1.429 682 1HD2 ASN 83 1HD2 ASN 83 1.813 15.763 -1.825 683 2HD2 ASN 83 2HD2 ASN 83 1.702 16.673 -0.361 684 H LYS 84 H LYS 84 6.898 18.085 -2.744 685 HA LYS 84 HA LYS 84 9.236 16.767 -1.868 686 1HB LYS 84 2HB LYS 84 8.399 19.558 -2.389 687 2HB LYS 84 1HB LYS 84 9.730 19.374 -1.255 688 1HG LYS 84 2HG LYS 84 11.148 18.516 -2.846 689 2HG LYS 84 1HG LYS 84 9.829 17.925 -3.859 690 1HD LYS 84 2HD LYS 84 9.609 19.892 -4.940 691 2HD LYS 84 1HD LYS 84 9.898 20.839 -3.480 692 1HE LYS 84 2HE LYS 84 12.354 19.866 -3.819 693 2HE LYS 84 1HE LYS 84 11.816 19.813 -5.497 694 1HZ LYS 84 1HZ LYS 84 11.767 22.054 -5.648 695 2HZ LYS 84 2HZ LYS 84 12.923 21.952 -4.417 696 3HZ LYS 84 3HZ LYS 84 11.310 22.286 -4.035 697 HA PRO 85 HA PRO 85 9.041 16.725 2.540 698 1HB PRO 85 2HB PRO 85 11.326 17.990 3.365 699 2HB PRO 85 1HB PRO 85 11.285 16.340 2.740 700 1HG PRO 85 2HG PRO 85 11.995 18.881 1.331 701 2HG PRO 85 1HG PRO 85 12.784 17.295 1.243 702 1HD PRO 85 2HD PRO 85 11.115 18.154 -0.680 703 2HD PRO 85 1HD PRO 85 11.188 16.445 -0.206 704 H GLU 86 H GLU 86 7.208 18.306 2.216 705 HA GLU 86 HA GLU 86 7.657 21.070 2.831 706 1HB GLU 86 2HB GLU 86 5.543 19.523 1.792 707 2HB GLU 86 1HB GLU 86 4.935 20.221 3.285 708 1HG GLU 86 2HG GLU 86 5.949 22.426 2.305 709 2HG GLU 86 1HG GLU 86 5.800 21.562 0.776 710 H THR 87 H THR 87 5.916 18.478 4.567 711 HA THR 87 HA THR 87 6.939 19.496 7.099 712 HB THR 87 HB THR 87 4.644 19.468 8.104 713 HG1 THR 87 1HG THR 87 3.883 19.180 5.386 714 1HG2 THR 87 1HG2 THR 87 5.655 21.598 7.395 715 2HG2 THR 87 2HG2 THR 87 3.894 21.590 7.284 716 3HG2 THR 87 3HG2 THR 87 4.871 21.416 5.826 717 H ILE 88 H ILE 88 4.164 17.364 6.570 718 HA ILE 88 HA ILE 88 5.784 15.128 7.600 719 HB ILE 88 HB ILE 88 2.806 15.342 7.980 720 1HG1 ILE 88 2HG1 ILE 88 3.747 17.313 9.052 721 2HG1 ILE 88 1HG1 ILE 88 3.279 16.146 10.284 722 1HG2 ILE 88 1HG2 ILE 88 4.979 13.736 9.313 723 2HG2 ILE 88 2HG2 ILE 88 3.690 13.134 8.271 724 3HG2 ILE 88 3HG2 ILE 88 3.305 13.788 9.863 725 1HD1 ILE 88 1HD1 ILE 88 5.880 15.478 9.862 726 2HD1 ILE 88 2HD1 ILE 88 5.302 16.557 11.131 727 3HD1 ILE 88 3HD1 ILE 88 5.909 17.223 9.614 728 H TYR 89 H TYR 89 4.003 16.222 4.924 729 HA TYR 89 HA TYR 89 2.752 13.875 4.043 730 1HB TYR 89 2HB TYR 89 3.729 16.353 2.676 731 2HB TYR 89 1HB TYR 89 3.201 14.985 1.699 732 HD1 TYR 89 1HD TYR 89 1.990 16.928 4.674 733 HD2 TYR 89 2HD TYR 89 1.011 15.007 1.005 734 HE1 TYR 89 1HE TYR 89 -0.345 17.653 4.924 735 HE2 TYR 89 2HE TYR 89 -1.326 15.729 1.246 736 HH TYR 89 HH TYR 89 -2.324 18.103 3.218 737 H TYR 90 H TYR 90 6.015 15.123 3.348 738 HA TYR 90 HA TYR 90 6.779 13.011 1.630 739 1HB TYR 90 2HB TYR 90 7.936 15.223 1.789 740 2HB TYR 90 1HB TYR 90 8.594 14.722 3.344 741 HD1 TYR 90 2HD TYR 90 8.512 13.792 -0.258 742 HD2 TYR 90 1HD TYR 90 10.603 13.517 3.439 743 HE1 TYR 90 2HE TYR 90 10.411 12.746 -1.417 744 HE2 TYR 90 1HE TYR 90 12.508 12.471 2.288 745 HH TYR 90 HH TYR 90 12.623 11.010 -0.128 746 H LYS 91 H LYS 91 7.370 13.555 5.103 747 HA LYS 91 HA LYS 91 8.793 11.145 5.519 748 1HB LYS 91 2HB LYS 91 7.916 13.365 7.109 749 2HB LYS 91 1HB LYS 91 7.506 11.868 7.936 750 1HG LYS 91 2HG LYS 91 9.683 12.662 8.632 751 2HG LYS 91 1HG LYS 91 9.831 11.135 7.761 752 1HD LYS 91 2HD LYS 91 10.367 12.458 5.704 753 2HD LYS 91 1HD LYS 91 10.412 13.903 6.716 754 1HE LYS 91 2HE LYS 91 12.606 13.399 6.862 755 2HE LYS 91 1HE LYS 91 12.049 12.303 8.124 756 1HZ LYS 91 1HZ LYS 91 13.564 11.511 6.119 757 2HZ LYS 91 2HZ LYS 91 12.054 11.272 5.394 758 3HZ LYS 91 3HZ LYS 91 12.427 10.492 6.847 759 H ALA 92 H ALA 92 5.367 11.944 5.621 760 HA ALA 92 HA ALA 92 4.440 9.627 6.918 761 1HB ALA 92 1HB ALA 92 2.972 11.500 6.678 762 2HB ALA 92 2HB ALA 92 2.264 10.146 5.800 763 3HB ALA 92 3HB ALA 92 3.087 11.433 4.919 764 H ALA 93 H ALA 93 4.969 10.337 3.480 765 HA ALA 93 HA ALA 93 3.999 7.845 2.521 766 1HB ALA 93 1HB ALA 93 4.135 9.841 1.106 767 2HB ALA 93 2HB ALA 93 5.005 8.482 0.396 768 3HB ALA 93 3HB ALA 93 5.894 9.781 1.192 769 H LYS 94 H LYS 94 7.274 9.059 3.217 770 HA LYS 94 HA LYS 94 8.633 6.716 2.391 771 1HB LYS 94 2HB LYS 94 9.383 9.246 3.225 772 2HB LYS 94 1HB LYS 94 9.965 8.211 4.521 773 1HG LYS 94 2HG LYS 94 11.008 6.791 2.660 774 2HG LYS 94 1HG LYS 94 10.712 8.186 1.621 775 1HD LYS 94 2HD LYS 94 11.887 9.323 3.826 776 2HD LYS 94 1HD LYS 94 12.733 7.781 3.693 777 1HE LYS 94 2HE LYS 94 12.720 8.584 1.104 778 2HE LYS 94 1HE LYS 94 12.797 10.138 1.933 779 1HZ LYS 94 1HZ LYS 94 15.000 9.625 1.772 780 2HZ LYS 94 2HZ LYS 94 14.754 7.956 1.891 781 3HZ LYS 94 3HZ LYS 94 14.666 8.923 3.275 782 H LYS 95 H LYS 95 7.501 7.816 5.576 783 HA LYS 95 HA LYS 95 8.550 5.703 7.099 784 1HB LYS 95 2HB LYS 95 7.539 7.887 7.930 785 2HB LYS 95 1HB LYS 95 5.965 7.143 7.694 786 1HG LYS 95 2HG LYS 95 6.135 5.898 9.547 787 2HG LYS 95 1HG LYS 95 7.842 5.539 9.277 788 1HD LYS 95 2HD LYS 95 8.536 7.542 10.282 789 2HD LYS 95 1HD LYS 95 6.929 8.261 10.160 790 1HE LYS 95 2HE LYS 95 6.307 6.186 11.696 791 2HE LYS 95 1HE LYS 95 8.008 6.325 12.139 792 1HZ LYS 95 1HZ LYS 95 5.863 8.340 12.463 793 2HZ LYS 95 2HZ LYS 95 7.501 8.754 12.553 794 3HZ LYS 95 3HZ LYS 95 6.846 7.654 13.658 795 H LEU 96 H LEU 96 5.411 6.068 5.480 796 HA LEU 96 HA LEU 96 4.273 3.651 6.373 797 1HB LEU 96 2HB LEU 96 3.459 5.792 4.820 798 2HB LEU 96 1HB LEU 96 3.460 4.456 3.687 799 HG LEU 96 HG LEU 96 1.881 3.230 5.024 800 1HD1 LEU 96 1HD1 LEU 96 0.916 4.667 7.041 801 2HD1 LEU 96 2HD1 LEU 96 2.577 5.254 7.072 802 3HD1 LEU 96 3HD1 LEU 96 2.250 3.532 7.246 803 1HD2 LEU 96 1HD2 LEU 96 1.297 5.467 3.627 804 2HD2 LEU 96 2HD2 LEU 96 0.597 5.871 5.195 805 3HD2 LEU 96 3HD2 LEU 96 0.088 4.410 4.353 806 H LEU 97 H LEU 97 6.378 4.422 3.657 807 HA LEU 97 HA LEU 97 6.140 2.024 2.218 808 1HB LEU 97 2HB LEU 97 7.478 4.357 1.844 809 2HB LEU 97 1HB LEU 97 8.805 3.298 2.277 810 HG LEU 97 HG LEU 97 6.863 2.783 0.020 811 1HD1 LEU 97 1HD1 LEU 97 8.728 3.375 -1.450 812 2HD1 LEU 97 2HD1 LEU 97 9.697 3.815 -0.045 813 3HD1 LEU 97 3HD1 LEU 97 8.245 4.735 -0.437 814 1HD2 LEU 97 1HD2 LEU 97 7.631 0.686 0.458 815 2HD2 LEU 97 2HD2 LEU 97 9.118 1.264 1.209 816 3HD2 LEU 97 3HD2 LEU 97 8.964 1.256 -0.547 817 H HIS 98 H HIS 98 8.384 2.968 4.811 818 HA HIS 98 HA HIS 98 9.873 0.568 4.810 819 1HB HIS 98 2HB HIS 98 9.785 2.999 6.360 820 2HB HIS 98 1HB HIS 98 9.941 1.608 7.427 821 HD1 HIS 98 1HD HIS 98 12.254 0.764 7.744 822 HD2 HIS 98 2HD HIS 98 11.874 2.983 4.252 823 HE1 HIS 98 1HE HIS 98 14.578 0.937 6.802 824 HE2 HIS 98 2HE HIS 98 14.307 2.195 4.636 825 H SER 99 H SER 99 7.059 1.611 6.722 826 HA SER 99 HA SER 99 6.933 -0.683 8.367 827 1HB SER 99 2HB SER 99 4.351 0.091 8.347 828 2HB SER 99 1HB SER 99 5.590 0.925 9.284 829 HG SER 99 HG SER 99 5.426 2.597 8.003 830 H GLY 100 H GLY 100 5.340 0.133 5.296 831 1HA GLY 100 2HA GLY 100 3.755 -2.174 5.070 832 2HA GLY 100 1HA GLY 100 4.307 -1.182 3.727 833 H MET 101 H MET 101 7.075 -1.537 3.983 834 HA MET 101 HA MET 101 7.483 -3.911 2.561 835 1HB MET 101 2HB MET 101 9.248 -1.894 3.862 836 2HB MET 101 1HB MET 101 9.969 -3.435 3.421 837 1HG MET 101 2HG MET 101 8.852 -2.968 1.110 838 2HG MET 101 1HG MET 101 8.847 -1.300 1.677 839 1HE MET 101 1HE MET 101 9.944 -2.199 -0.810 840 2HE MET 101 2HE MET 101 11.695 -2.308 -0.993 841 3HE MET 101 3HE MET 101 10.935 -0.748 -0.670 842 H LYS 102 H LYS 102 7.993 -3.174 6.004 843 HA LYS 102 HA LYS 102 9.172 -5.601 6.739 844 1HB LYS 102 2HB LYS 102 8.500 -3.254 8.008 845 2HB LYS 102 1HB LYS 102 7.409 -4.413 8.757 846 1HG LYS 102 2HG LYS 102 10.100 -5.447 8.561 847 2HG LYS 102 1HG LYS 102 10.036 -3.917 9.437 848 1HD LYS 102 2HD LYS 102 7.877 -5.714 10.183 849 2HD LYS 102 1HD LYS 102 9.468 -6.427 10.464 850 1HE LYS 102 2HE LYS 102 9.898 -5.058 12.183 851 2HE LYS 102 1HE LYS 102 9.296 -3.645 11.319 852 1HZ LYS 102 1HZ LYS 102 7.743 -3.775 12.945 853 2HZ LYS 102 2HZ LYS 102 7.892 -5.449 13.135 854 3HZ LYS 102 3HZ LYS 102 7.003 -4.821 11.840 855 H ILE 103 H ILE 103 5.768 -4.587 6.785 856 HA ILE 103 HA ILE 103 4.770 -7.060 7.770 857 HB ILE 103 HB ILE 103 3.230 -5.011 6.176 858 1HG1 ILE 103 2HG1 ILE 103 3.435 -5.148 9.186 859 2HG1 ILE 103 1HG1 ILE 103 4.488 -4.120 8.219 860 1HG2 ILE 103 1HG2 ILE 103 2.450 -7.268 7.995 861 2HG2 ILE 103 2HG2 ILE 103 1.919 -6.941 6.346 862 3HG2 ILE 103 3HG2 ILE 103 1.361 -5.921 7.671 863 1HD1 ILE 103 1HD1 ILE 103 2.832 -2.650 7.731 864 2HD1 ILE 103 2HD1 ILE 103 2.246 -3.233 9.289 865 3HD1 ILE 103 3HD1 ILE 103 1.566 -3.878 7.795 866 H LEU 104 H LEU 104 5.361 -5.783 4.542 867 HA LEU 104 HA LEU 104 3.921 -7.582 3.000 868 1HB LEU 104 2HB LEU 104 5.679 -5.546 2.490 869 2HB LEU 104 1HB LEU 104 6.578 -6.944 1.935 870 HG LEU 104 HG LEU 104 3.768 -6.737 1.015 871 1HD1 LEU 104 1HD1 LEU 104 3.966 -4.927 -0.313 872 2HD1 LEU 104 2HD1 LEU 104 5.687 -5.181 -0.590 873 3HD1 LEU 104 3HD1 LEU 104 5.139 -4.427 0.904 874 1HD2 LEU 104 1HD2 LEU 104 5.228 -7.294 -1.151 875 2HD2 LEU 104 2HD2 LEU 104 4.738 -8.526 0.013 876 3HD2 LEU 104 3HD2 LEU 104 6.358 -7.835 0.090 877 H SER 105 H SER 105 6.995 -8.026 4.651 878 HA SER 105 HA SER 105 7.907 -10.330 3.361 879 1HB SER 105 2HB SER 105 8.348 -9.109 6.047 880 2HB SER 105 1HB SER 105 8.853 -10.783 5.816 881 HG SER 105 HG SER 105 10.519 -9.307 5.297 882 H GLN 106 H GLN 106 5.620 -9.953 6.036 883 HA GLN 106 HA GLN 106 5.331 -12.715 6.596 884 1HB GLN 106 2HB GLN 106 4.502 -10.419 7.808 885 2HB GLN 106 1HB GLN 106 2.993 -10.999 7.113 886 1HG GLN 106 2HG GLN 106 3.315 -13.152 8.242 887 2HG GLN 106 1HG GLN 106 4.806 -12.542 8.958 888 1HE2 GLN 106 1HE2 GLN 106 4.266 -10.130 9.864 889 2HE2 GLN 106 2HE2 GLN 106 2.972 -10.144 11.009 890 H GLU 107 H GLU 107 3.842 -10.580 4.253 891 HA GLU 107 HA GLU 107 1.547 -11.971 3.584 892 1HB GLU 107 2HB GLU 107 2.501 -9.727 2.671 893 2HB GLU 107 1HB GLU 107 3.273 -10.737 1.457 894 1HG GLU 107 2HG GLU 107 0.311 -10.662 1.990 895 2HG GLU 107 1HG GLU 107 1.133 -9.762 0.717 896 H ARG 108 H ARG 108 4.781 -12.351 2.102 897 HA ARG 108 HA ARG 108 3.902 -14.819 0.818 898 1HB ARG 108 2HB ARG 108 5.279 -13.011 -0.352 899 2HB ARG 108 1HB ARG 108 6.637 -13.559 0.620 900 1HG ARG 108 2HG ARG 108 6.803 -14.609 -1.500 901 2HG ARG 108 1HG ARG 108 6.305 -15.841 -0.340 902 1HD ARG 108 2HD ARG 108 3.897 -14.941 -1.187 903 2HD ARG 108 1HD ARG 108 4.861 -14.705 -2.643 904 HE ARG 108 HE ARG 108 5.483 -17.227 -1.914 905 1HH1 ARG 108 1HH1 ARG 108 2.422 -15.592 -2.400 906 2HH1 ARG 108 2HH1 ARG 108 1.592 -17.030 -2.888 907 1HH2 ARG 108 1HH2 ARG 108 4.383 -19.117 -2.561 908 2HH2 ARG 108 2HH2 ARG 108 2.705 -19.031 -2.978 909 H LEU 109 H LEU 109 3.731 -15.507 3.273 910 HA LEU 109 HA LEU 109 5.952 -17.305 3.725 911 1HB LEU 109 2HB LEU 109 5.808 -14.847 5.140 912 2HB LEU 109 1HB LEU 109 5.400 -16.124 6.270 913 HG LEU 109 HG LEU 109 7.616 -17.175 5.083 914 1HD1 LEU 109 1HD1 LEU 109 9.280 -15.265 5.180 915 2HD1 LEU 109 2HD1 LEU 109 7.889 -14.184 5.089 916 3HD1 LEU 109 3HD1 LEU 109 8.215 -15.314 3.776 917 1HD2 LEU 109 1HD2 LEU 109 7.663 -17.330 7.342 918 2HD2 LEU 109 2HD2 LEU 109 7.053 -15.692 7.581 919 3HD2 LEU 109 3HD2 LEU 109 8.749 -15.951 7.171 920 H GLU 110 H GLU 110 4.865 -19.170 3.839 921 HA GLU 110 HA GLU 110 2.468 -19.282 5.555 922 1HB GLU 110 2HB GLU 110 1.662 -21.121 4.129 923 2HB GLU 110 1HB GLU 110 1.876 -19.631 3.223 924 1HG GLU 110 2HG GLU 110 3.518 -20.487 1.937 925 2HG GLU 110 1HG GLU 110 4.181 -21.468 3.243 926 H HIS 111 H HIS 111 5.058 -19.598 6.604 927 HA HIS 111 HA HIS 111 5.565 -22.435 6.874 928 1HB HIS 111 2HB HIS 111 7.071 -20.041 7.239 929 2HB HIS 111 1HB HIS 111 7.070 -20.921 8.763 930 HD1 HIS 111 1HD HIS 111 8.389 -21.037 5.294 931 HD2 HIS 111 2HD HIS 111 8.347 -23.451 8.679 932 HE1 HIS 111 1HE HIS 111 10.116 -22.816 4.873 933 HE2 HIS 111 2HE HIS 111 10.112 -24.234 6.956 934 H HIS 112 H HIS 112 3.787 -23.293 7.925 935 HA HIS 112 HA HIS 112 3.258 -22.293 10.642 936 1HB HIS 112 2HB HIS 112 1.517 -23.198 8.501 937 2HB HIS 112 1HB HIS 112 1.233 -24.107 9.981 938 HD1 HIS 112 1HD HIS 112 1.818 -21.635 11.915 939 HD2 HIS 112 2HD HIS 112 -0.794 -21.686 8.681 940 HE1 HIS 112 1HE HIS 112 0.151 -19.810 12.370 941 HE2 HIS 112 2HE HIS 112 -1.460 -19.902 10.434 942 H HIS 113 H HIS 113 2.478 -24.089 12.181 943 HA HIS 113 HA HIS 113 4.080 -26.524 11.769 944 1HB HIS 113 2HB HIS 113 4.132 -24.586 14.007 945 2HB HIS 113 1HB HIS 113 4.163 -26.285 14.462 946 HD1 HIS 113 1HD HIS 113 6.540 -26.647 15.102 947 HD2 HIS 113 2HD HIS 113 6.180 -24.653 11.473 948 HE1 HIS 113 1HE HIS 113 8.880 -26.468 14.199 949 HE2 HIS 113 2HE HIS 113 8.622 -25.354 11.953 950 H HIS 114 H HIS 114 1.683 -26.899 10.977 951 HA HIS 114 HA HIS 114 -0.200 -28.151 11.198 952 1HB HIS 114 2HB HIS 114 1.538 -29.128 13.374 953 2HB HIS 114 1HB HIS 114 -0.176 -29.472 13.578 954 HD1 HIS 114 1HD HIS 114 -1.023 -30.190 10.769 955 HD2 HIS 114 2HD HIS 114 2.563 -31.448 12.450 956 HE1 HIS 114 1HE HIS 114 -0.357 -32.240 9.474 957 HE2 HIS 114 2HE HIS 114 1.846 -32.949 10.470 958 H HIS 115 H HIS 115 -1.952 -26.884 11.397 959 HA HIS 115 HA HIS 115 -2.447 -25.065 13.460 960 1HB HIS 115 2HB HIS 115 -4.736 -24.933 12.616 961 2HB HIS 115 1HB HIS 115 -3.583 -24.936 11.290 962 HD1 HIS 115 1HD HIS 115 -6.608 -25.742 11.024 963 HD2 HIS 115 2HD HIS 115 -3.436 -28.398 11.410 964 HE1 HIS 115 1HE HIS 115 -7.410 -27.900 10.014 965 HE2 HIS 115 2HE HIS 115 -5.506 -29.518 10.344 966 H HIS 116 H HIS 116 -3.069 -25.294 15.496 967 HA HIS 116 HA HIS 116 -3.804 -27.925 16.475 968 1HB HIS 116 2HB HIS 116 -3.198 -25.313 17.868 969 2HB HIS 116 1HB HIS 116 -3.731 -26.749 18.730 970 HD1 HIS 116 1HD HIS 116 -1.429 -27.474 15.948 971 HD2 HIS 116 2HD HIS 116 -1.141 -26.584 19.999 972 HE1 HIS 116 1HE HIS 116 0.907 -28.114 16.612 973 HE2 HIS 116 2HE HIS 116 1.045 -27.614 19.077 Start of MODEL 10 1 1H MET 0 1HT MET 0 2.101 -26.812 -2.985 2 2H MET 0 2HT MET 0 1.106 -26.300 -4.288 3 3H MET 0 3HT MET 0 0.899 -25.616 -2.728 4 HA MET 0 HA MET 0 3.110 -24.695 -2.841 5 1HB MET 0 2HB MET 0 3.858 -26.487 -4.486 6 2HB MET 0 1HB MET 0 3.037 -25.563 -5.738 7 1HG MET 0 2HG MET 0 4.510 -23.600 -4.862 8 2HG MET 0 1HG MET 0 5.502 -24.896 -4.197 9 1HE MET 0 1HE MET 0 4.313 -22.869 -6.895 10 2HE MET 0 2HE MET 0 5.019 -23.445 -8.405 11 3HE MET 0 3HE MET 0 6.028 -22.621 -7.217 12 H GLU 1 H GLU 1 1.829 -22.913 -2.424 13 HA GLU 1 HA GLU 1 0.713 -20.970 -2.794 14 1HB GLU 1 2HB GLU 1 1.927 -21.164 -5.556 15 2HB GLU 1 1HB GLU 1 1.309 -19.706 -4.789 16 1HG GLU 1 2HG GLU 1 3.150 -19.428 -3.517 17 2HG GLU 1 1HG GLU 1 3.398 -21.158 -3.304 18 H GLU 2 H GLU 2 -0.721 -23.410 -3.257 19 HA GLU 2 HA GLU 2 -2.748 -22.422 -5.143 20 1HB GLU 2 2HB GLU 2 -3.258 -24.797 -5.713 21 2HB GLU 2 1HB GLU 2 -1.666 -24.274 -6.245 22 1HG GLU 2 2HG GLU 2 -0.789 -25.320 -4.094 23 2HG GLU 2 1HG GLU 2 -2.371 -26.081 -3.958 24 H VAL 3 H VAL 3 -4.909 -22.822 -4.570 25 HA VAL 3 HA VAL 3 -6.684 -23.049 -3.167 26 HB VAL 3 HB VAL 3 -5.052 -25.036 -1.588 27 1HG1 VAL 3 1HG1 VAL 3 -7.490 -26.048 -1.564 28 2HG1 VAL 3 2HG1 VAL 3 -7.939 -24.367 -1.853 29 3HG1 VAL 3 3HG1 VAL 3 -7.004 -24.797 -0.422 30 1HG2 VAL 3 1HG2 VAL 3 -5.684 -26.767 -3.089 31 2HG2 VAL 3 2HG2 VAL 3 -4.985 -25.480 -4.069 32 3HG2 VAL 3 3HG2 VAL 3 -6.736 -25.686 -4.002 33 H GLU 4 H GLU 4 -4.278 -21.261 -2.491 34 HA GLU 4 HA GLU 4 -5.071 -20.715 0.291 35 1HB GLU 4 2HB GLU 4 -2.345 -20.875 -0.923 36 2HB GLU 4 1HB GLU 4 -2.627 -19.712 0.364 37 1HG GLU 4 2HG GLU 4 -3.317 -21.477 1.860 38 2HG GLU 4 1HG GLU 4 -3.156 -22.668 0.569 39 H GLN 5 H GLN 5 -5.888 -19.629 -2.427 40 HA GLN 5 HA GLN 5 -4.879 -16.955 -2.553 41 1HB GLN 5 2HB GLN 5 -7.396 -18.061 -3.813 42 2HB GLN 5 1HB GLN 5 -6.540 -16.600 -4.282 43 1HG GLN 5 2HG GLN 5 -5.256 -17.745 -5.669 44 2HG GLN 5 1HG GLN 5 -4.733 -18.808 -4.365 45 1HE2 GLN 5 1HE2 GLN 5 -5.089 -19.598 -7.037 46 2HE2 GLN 5 2HE2 GLN 5 -6.373 -20.753 -7.092 47 H THR 6 H THR 6 -7.696 -18.509 -1.136 48 HA THR 6 HA THR 6 -9.163 -16.186 -0.527 49 HB THR 6 HB THR 6 -9.453 -18.367 1.414 50 HG1 THR 6 1HG THR 6 -9.920 -18.960 -1.321 51 1HG2 THR 6 1HG2 THR 6 -11.451 -17.418 1.398 52 2HG2 THR 6 2HG2 THR 6 -11.728 -18.249 -0.131 53 3HG2 THR 6 3HG2 THR 6 -11.135 -16.588 -0.125 54 HA PRO 7 HA PRO 7 -7.141 -16.485 3.946 55 1HB PRO 7 2HB PRO 7 -4.657 -17.711 3.885 56 2HB PRO 7 1HB PRO 7 -6.146 -18.462 4.452 57 1HG PRO 7 2HG PRO 7 -4.792 -18.707 1.807 58 2HG PRO 7 1HG PRO 7 -5.620 -19.947 2.764 59 1HD PRO 7 2HD PRO 7 -6.780 -18.823 0.628 60 2HD PRO 7 1HD PRO 7 -7.722 -19.264 2.068 61 H LEU 8 H LEU 8 -4.997 -16.441 1.127 62 HA LEU 8 HA LEU 8 -3.111 -14.590 2.020 63 1HB LEU 8 2HB LEU 8 -3.790 -15.856 -0.447 64 2HB LEU 8 1HB LEU 8 -3.581 -14.145 -0.759 65 HG LEU 8 HG LEU 8 -1.519 -15.445 -1.125 66 1HD1 LEU 8 1HD1 LEU 8 -1.605 -13.323 0.983 67 2HD1 LEU 8 2HD1 LEU 8 -1.095 -13.205 -0.701 68 3HD1 LEU 8 3HD1 LEU 8 -0.075 -14.036 0.474 69 1HD2 LEU 8 1HD2 LEU 8 -2.122 -16.360 1.602 70 2HD2 LEU 8 2HD2 LEU 8 -0.434 -15.953 1.301 71 3HD2 LEU 8 3HD2 LEU 8 -1.242 -17.160 0.301 72 H GLN 9 H GLN 9 -6.260 -14.073 0.477 73 HA GLN 9 HA GLN 9 -6.050 -11.285 0.124 74 1HB GLN 9 2HB GLN 9 -7.783 -12.825 -0.891 75 2HB GLN 9 1HB GLN 9 -8.603 -12.803 0.665 76 1HG GLN 9 2HG GLN 9 -8.201 -10.129 0.085 77 2HG GLN 9 1HG GLN 9 -8.611 -10.849 -1.471 78 1HE2 GLN 9 1HE2 GLN 9 -10.657 -10.277 -1.802 79 2HE2 GLN 9 2HE2 GLN 9 -11.963 -10.550 -0.705 80 H GLU 10 H GLU 10 -7.300 -13.231 2.816 81 HA GLU 10 HA GLU 10 -8.223 -11.088 4.399 82 1HB GLU 10 2HB GLU 10 -8.850 -13.448 4.782 83 2HB GLU 10 1HB GLU 10 -7.204 -13.793 5.296 84 1HG GLU 10 2HG GLU 10 -7.654 -13.147 7.360 85 2HG GLU 10 1HG GLU 10 -8.250 -11.588 6.795 86 H ALA 11 H ALA 11 -5.096 -12.758 4.258 87 HA ALA 11 HA ALA 11 -3.849 -11.494 6.420 88 1HB ALA 11 1HB ALA 11 -1.788 -12.266 5.537 89 2HB ALA 11 2HB ALA 11 -2.438 -12.345 3.900 90 3HB ALA 11 3HB ALA 11 -2.996 -13.484 5.126 91 H LEU 12 H LEU 12 -3.934 -10.589 2.979 92 HA LEU 12 HA LEU 12 -2.292 -8.341 3.102 93 1HB LEU 12 2HB LEU 12 -4.692 -8.844 1.338 94 2HB LEU 12 1HB LEU 12 -3.528 -7.557 1.089 95 HG LEU 12 HG LEU 12 -2.705 -10.451 1.128 96 1HD1 LEU 12 1HD1 LEU 12 -2.678 -9.902 -1.477 97 2HD1 LEU 12 2HD1 LEU 12 -4.050 -8.901 -1.004 98 3HD1 LEU 12 3HD1 LEU 12 -4.067 -10.634 -0.674 99 1HD2 LEU 12 1HD2 LEU 12 -1.135 -8.345 1.313 100 2HD2 LEU 12 2HD2 LEU 12 -1.375 -8.299 -0.434 101 3HD2 LEU 12 3HD2 LEU 12 -0.690 -9.736 0.324 102 H ASN 13 H ASN 13 -5.785 -8.637 3.649 103 HA ASN 13 HA ASN 13 -6.324 -5.899 3.998 104 1HB ASN 13 2HB ASN 13 -7.731 -8.344 5.087 105 2HB ASN 13 1HB ASN 13 -8.354 -6.707 5.253 106 1HD2 ASN 13 1HD2 ASN 13 -9.716 -8.794 3.969 107 2HD2 ASN 13 2HD2 ASN 13 -9.868 -8.393 2.295 108 H GLN 14 H GLN 14 -5.325 -8.413 6.283 109 HA GLN 14 HA GLN 14 -5.595 -6.857 8.630 110 1HB GLN 14 2HB GLN 14 -3.770 -9.202 8.066 111 2HB GLN 14 1HB GLN 14 -4.073 -8.526 9.660 112 1HG GLN 14 2HG GLN 14 -6.270 -9.296 9.704 113 2HG GLN 14 1HG GLN 14 -6.319 -9.533 7.958 114 1HE2 GLN 14 1HE2 GLN 14 -7.214 -11.629 8.923 115 2HE2 GLN 14 2HE2 GLN 14 -6.069 -12.900 9.156 116 H LEU 15 H LEU 15 -2.798 -7.509 6.522 117 HA LEU 15 HA LEU 15 -0.904 -6.043 7.984 118 1HB LEU 15 2HB LEU 15 -1.124 -6.976 5.160 119 2HB LEU 15 1HB LEU 15 0.111 -5.793 5.546 120 HG LEU 15 HG LEU 15 1.150 -7.300 7.122 121 1HD1 LEU 15 1HD1 LEU 15 -1.026 -8.354 7.853 122 2HD1 LEU 15 2HD1 LEU 15 0.335 -9.455 7.655 123 3HD1 LEU 15 3HD1 LEU 15 -0.916 -9.371 6.417 124 1HD2 LEU 15 1HD2 LEU 15 0.514 -8.503 4.442 125 2HD2 LEU 15 2HD2 LEU 15 1.700 -9.192 5.549 126 3HD2 LEU 15 3HD2 LEU 15 1.932 -7.568 4.906 127 H MET 16 H MET 16 -3.060 -5.066 5.336 128 HA MET 16 HA MET 16 -2.133 -2.426 5.064 129 1HB MET 16 2HB MET 16 -3.601 -3.606 3.436 130 2HB MET 16 1HB MET 16 -4.933 -3.462 4.574 131 1HG MET 16 2HG MET 16 -5.407 -1.637 3.367 132 2HG MET 16 1HG MET 16 -4.196 -0.887 4.406 133 1HE MET 16 1HE MET 16 -3.986 -3.415 1.479 134 2HE MET 16 2HE MET 16 -3.349 -2.445 0.152 135 3HE MET 16 3HE MET 16 -4.993 -2.176 0.730 136 H ARG 17 H ARG 17 -4.451 -3.892 7.268 137 HA ARG 17 HA ARG 17 -5.551 -1.485 8.281 138 1HB ARG 17 2HB ARG 17 -5.472 -4.329 9.214 139 2HB ARG 17 1HB ARG 17 -6.041 -3.078 10.310 140 1HG ARG 17 2HG ARG 17 -7.483 -2.473 8.120 141 2HG ARG 17 1HG ARG 17 -7.307 -4.215 7.908 142 1HD ARG 17 2HD ARG 17 -9.343 -3.651 9.147 143 2HD ARG 17 1HD ARG 17 -8.223 -4.599 10.126 144 HE ARG 17 HE ARG 17 -7.726 -1.901 10.635 145 1HH1 ARG 17 1HH1 ARG 17 -10.312 -4.213 11.098 146 2HH1 ARG 17 2HH1 ARG 17 -10.916 -3.440 12.521 147 1HH2 ARG 17 1HH2 ARG 17 -8.524 -0.888 12.520 148 2HH2 ARG 17 2HH2 ARG 17 -9.904 -1.554 13.330 149 H GLN 18 H GLN 18 -2.780 -3.465 9.221 150 HA GLN 18 HA GLN 18 -2.196 -2.149 11.646 151 1HB GLN 18 2HB GLN 18 -1.210 -4.348 10.406 152 2HB GLN 18 1HB GLN 18 0.086 -3.203 10.082 153 1HG GLN 18 2HG GLN 18 0.311 -2.766 12.469 154 2HG GLN 18 1HG GLN 18 -1.008 -3.888 12.803 155 1HE2 GLN 18 1HE2 GLN 18 -0.672 -6.134 11.991 156 2HE2 GLN 18 2HE2 GLN 18 0.918 -6.799 12.126 157 H LEU 19 H LEU 19 -0.899 -1.673 8.353 158 HA LEU 19 HA LEU 19 0.789 0.492 9.068 159 1HB LEU 19 2HB LEU 19 0.954 0.912 6.640 160 2HB LEU 19 1HB LEU 19 1.278 -0.751 7.082 161 HG LEU 19 HG LEU 19 -1.285 -1.047 6.479 162 1HD1 LEU 19 1HD1 LEU 19 -2.140 0.909 5.772 163 2HD1 LEU 19 2HD1 LEU 19 -1.359 0.480 4.252 164 3HD1 LEU 19 3HD1 LEU 19 -0.559 1.580 5.374 165 1HD2 LEU 19 1HD2 LEU 19 -0.325 -1.249 3.990 166 2HD2 LEU 19 2HD2 LEU 19 0.044 -2.411 5.264 167 3HD2 LEU 19 3HD2 LEU 19 1.193 -1.132 4.878 168 H GLN 20 H GLN 20 -2.555 0.285 8.038 169 HA GLN 20 HA GLN 20 -2.926 3.034 7.460 170 1HB GLN 20 2HB GLN 20 -4.426 1.100 6.775 171 2HB GLN 20 1HB GLN 20 -5.059 1.119 8.415 172 1HG GLN 20 2HG GLN 20 -6.312 2.940 8.048 173 2HG GLN 20 1HG GLN 20 -5.080 3.720 7.058 174 1HE2 GLN 20 1HE2 GLN 20 -8.007 3.371 6.684 175 2HE2 GLN 20 2HE2 GLN 20 -8.178 2.639 5.129 176 H ARG 21 H ARG 21 -3.379 1.096 10.390 177 HA ARG 21 HA ARG 21 -4.450 3.240 11.949 178 1HB ARG 21 2HB ARG 21 -3.478 0.473 12.538 179 2HB ARG 21 1HB ARG 21 -3.775 1.592 13.861 180 1HG ARG 21 2HG ARG 21 -6.080 1.900 12.583 181 2HG ARG 21 1HG ARG 21 -5.684 0.276 12.017 182 1HD ARG 21 2HD ARG 21 -6.985 -0.004 13.970 183 2HD ARG 21 1HD ARG 21 -5.324 -0.353 14.435 184 HE ARG 21 HE ARG 21 -6.897 1.995 15.195 185 1HH1 ARG 21 1HH1 ARG 21 -3.890 0.201 15.429 186 2HH1 ARG 21 2HH1 ARG 21 -3.325 1.095 16.799 187 1HH2 ARG 21 1HH2 ARG 21 -6.137 3.164 17.001 188 2HH2 ARG 21 2HH2 ARG 21 -4.596 2.773 17.689 189 H LYS 22 H LYS 22 -1.250 2.396 11.038 190 HA LYS 22 HA LYS 22 0.321 3.033 13.182 191 1HB LYS 22 2HB LYS 22 0.724 2.669 10.442 192 2HB LYS 22 1HB LYS 22 1.398 4.254 10.779 193 1HG LYS 22 2HG LYS 22 3.131 2.626 10.982 194 2HG LYS 22 1HG LYS 22 2.753 3.241 12.591 195 1HD LYS 22 2HD LYS 22 2.814 0.996 13.036 196 2HD LYS 22 1HD LYS 22 1.111 1.169 12.615 197 1HE LYS 22 2HE LYS 22 1.335 -0.214 10.887 198 2HE LYS 22 1HE LYS 22 2.680 0.724 10.245 199 1HZ LYS 22 1HZ LYS 22 3.290 -0.979 12.524 200 2HZ LYS 22 2HZ LYS 22 4.186 -0.681 11.123 201 3HZ LYS 22 3HZ LYS 22 2.909 -1.786 11.086 202 H ASP 23 H ASP 23 -0.189 5.490 10.629 203 HA ASP 23 HA ASP 23 -1.314 7.514 12.052 204 1HB ASP 23 2HB ASP 23 1.388 7.096 12.958 205 2HB ASP 23 1HB ASP 23 1.226 8.696 12.243 206 HA PRO 24 HA PRO 24 1.321 9.464 8.419 207 1HB PRO 24 2HB PRO 24 2.513 7.006 7.290 208 2HB PRO 24 1HB PRO 24 3.250 8.585 7.576 209 1HG PRO 24 2HG PRO 24 3.849 6.479 9.112 210 2HG PRO 24 1HG PRO 24 3.717 8.110 9.792 211 1HD PRO 24 2HD PRO 24 1.758 5.857 9.904 212 2HD PRO 24 1HD PRO 24 2.222 7.020 11.160 213 H SER 25 H SER 25 -0.516 6.550 8.435 214 HA SER 25 HA SER 25 -1.206 6.643 5.629 215 1HB SER 25 2HB SER 25 -1.048 4.571 7.291 216 2HB SER 25 1HB SER 25 -2.741 4.975 7.569 217 HG SER 25 HG SER 25 -3.113 3.953 5.781 218 H ALA 26 H ALA 26 -2.037 8.725 7.910 219 HA ALA 26 HA ALA 26 -4.920 8.672 7.593 220 1HB ALA 26 1HB ALA 26 -3.582 9.354 9.707 221 2HB ALA 26 2HB ALA 26 -5.029 10.262 9.267 222 3HB ALA 26 3HB ALA 26 -3.432 10.915 8.896 223 H PHE 27 H PHE 27 -2.640 9.537 5.485 224 HA PHE 27 HA PHE 27 -4.057 11.958 4.596 225 1HB PHE 27 2HB PHE 27 -1.274 11.035 3.852 226 2HB PHE 27 1HB PHE 27 -2.046 12.529 3.331 227 HD1 PHE 27 2HD PHE 27 -0.580 10.750 6.194 228 HD2 PHE 27 1HD PHE 27 -2.181 14.425 4.766 229 HE1 PHE 27 2HE PHE 27 0.299 11.901 8.182 230 HE2 PHE 27 1HE PHE 27 -1.306 15.583 6.753 231 HZ PHE 27 HZ PHE 27 -0.065 14.322 8.464 232 H PHE 28 H PHE 28 -2.910 8.778 3.607 233 HA PHE 28 HA PHE 28 -4.339 9.111 1.052 234 1HB PHE 28 2HB PHE 28 -2.226 7.030 1.616 235 2HB PHE 28 1HB PHE 28 -2.857 7.540 0.055 236 HD1 PHE 28 1HD PHE 28 -2.648 10.309 -0.127 237 HD2 PHE 28 2HD PHE 28 -0.047 7.651 1.943 238 HE1 PHE 28 1HE PHE 28 -0.825 11.944 -0.323 239 HE2 PHE 28 2HE PHE 28 1.783 9.284 1.747 240 HZ PHE 28 HZ PHE 28 1.394 11.435 0.613 241 H SER 29 H SER 29 -5.559 8.385 3.623 242 HA SER 29 HA SER 29 -6.167 5.557 3.380 243 1HB SER 29 2HB SER 29 -5.907 6.392 5.621 244 2HB SER 29 1HB SER 29 -7.072 7.681 5.337 245 HG SER 29 HG SER 29 -8.705 6.220 5.362 246 H PHE 30 H PHE 30 -7.138 8.028 1.579 247 HA PHE 30 HA PHE 30 -9.733 6.827 1.047 248 1HB PHE 30 2HB PHE 30 -9.422 9.355 2.395 249 2HB PHE 30 1HB PHE 30 -10.166 9.613 0.821 250 HD1 PHE 30 1HD PHE 30 -10.478 7.569 3.913 251 HD2 PHE 30 2HD PHE 30 -12.436 9.245 0.526 252 HE1 PHE 30 1HE PHE 30 -12.655 6.879 4.834 253 HE2 PHE 30 2HE PHE 30 -14.614 8.559 1.439 254 HZ PHE 30 HZ PHE 30 -14.727 7.375 3.595 255 HA PRO 31 HA PRO 31 -8.571 7.336 -3.180 256 1HB PRO 31 2HB PRO 31 -11.365 8.222 -3.691 257 2HB PRO 31 1HB PRO 31 -10.455 6.894 -4.421 258 1HG PRO 31 2HG PRO 31 -12.366 6.405 -2.635 259 2HG PRO 31 1HG PRO 31 -10.865 5.462 -2.639 260 1HD PRO 31 2HD PRO 31 -11.697 7.694 -0.827 261 2HD PRO 31 1HD PRO 31 -10.836 6.190 -0.442 262 H VAL 32 H VAL 32 -7.212 9.120 -3.213 263 HA VAL 32 HA VAL 32 -7.986 11.767 -2.778 264 HB VAL 32 HB VAL 32 -5.915 12.387 -4.100 265 1HG1 VAL 32 1HG1 VAL 32 -4.397 11.480 -2.348 266 2HG1 VAL 32 2HG1 VAL 32 -5.743 10.505 -1.759 267 3HG1 VAL 32 3HG1 VAL 32 -5.845 12.266 -1.720 268 1HG2 VAL 32 1HG2 VAL 32 -4.703 9.824 -3.986 269 2HG2 VAL 32 2HG2 VAL 32 -4.942 10.873 -5.382 270 3HG2 VAL 32 3HG2 VAL 32 -6.186 9.711 -4.927 271 H THR 33 H THR 33 -9.013 13.231 -3.938 272 HA THR 33 HA THR 33 -9.533 12.653 -6.779 273 HB THR 33 HB THR 33 -11.385 14.575 -5.848 274 HG1 THR 33 1HG THR 33 -11.355 12.325 -4.128 275 1HG2 THR 33 1HG2 THR 33 -11.815 11.638 -6.305 276 2HG2 THR 33 2HG2 THR 33 -11.856 12.892 -7.545 277 3HG2 THR 33 3HG2 THR 33 -13.060 12.886 -6.255 278 H ASP 34 H ASP 34 -10.472 15.055 -7.657 279 HA ASP 34 HA ASP 34 -8.075 16.586 -7.921 280 1HB ASP 34 2HB ASP 34 -10.354 16.226 -9.429 281 2HB ASP 34 1HB ASP 34 -10.530 17.872 -8.842 282 H PHE 35 H PHE 35 -10.223 16.519 -5.427 283 HA PHE 35 HA PHE 35 -9.869 19.380 -4.820 284 1HB PHE 35 2HB PHE 35 -11.954 17.644 -3.519 285 2HB PHE 35 1HB PHE 35 -11.907 19.399 -3.651 286 HD1 PHE 35 2HD PHE 35 -12.232 16.322 -5.724 287 HD2 PHE 35 1HD PHE 35 -13.128 20.463 -5.301 288 HE1 PHE 35 2HE PHE 35 -13.682 16.209 -7.711 289 HE2 PHE 35 1HE PHE 35 -14.577 20.357 -7.286 290 HZ PHE 35 HZ PHE 35 -14.856 18.229 -8.494 291 H ILE 36 H ILE 36 -9.730 16.083 -3.585 292 HA ILE 36 HA ILE 36 -8.763 16.910 -0.998 293 HB ILE 36 HB ILE 36 -9.437 14.310 -2.293 294 1HG1 ILE 36 2HG1 ILE 36 -10.007 15.141 0.533 295 2HG1 ILE 36 1HG1 ILE 36 -10.916 15.855 -0.795 296 1HG2 ILE 36 1HG2 ILE 36 -8.503 13.177 -0.198 297 2HG2 ILE 36 2HG2 ILE 36 -7.514 14.626 -0.014 298 3HG2 ILE 36 3HG2 ILE 36 -7.365 13.634 -1.467 299 1HD1 ILE 36 1HD1 ILE 36 -11.842 13.787 -1.406 300 2HD1 ILE 36 2HD1 ILE 36 -11.946 13.856 0.353 301 3HD1 ILE 36 3HD1 ILE 36 -10.689 12.887 -0.420 302 H ALA 37 H ALA 37 -7.437 15.669 -4.018 303 HA ALA 37 HA ALA 37 -4.743 15.602 -2.847 304 1HB ALA 37 1HB ALA 37 -6.072 14.036 -4.822 305 2HB ALA 37 2HB ALA 37 -4.470 13.811 -4.123 306 3HB ALA 37 3HB ALA 37 -4.672 14.814 -5.558 307 HA PRO 38 HA PRO 38 -3.533 19.349 -4.834 308 1HB PRO 38 2HB PRO 38 -0.903 18.943 -5.247 309 2HB PRO 38 1HB PRO 38 -1.576 19.216 -3.636 310 1HG PRO 38 2HG PRO 38 -0.796 16.651 -4.963 311 2HG PRO 38 1HG PRO 38 -0.537 17.168 -3.287 312 1HD PRO 38 2HD PRO 38 -2.536 15.474 -4.037 313 2HD PRO 38 1HD PRO 38 -2.658 16.566 -2.644 314 H GLY 39 H GLY 39 -3.716 16.589 -6.484 315 1HA GLY 39 2HA GLY 39 -4.376 17.065 -8.895 316 2HA GLY 39 1HA GLY 39 -2.752 17.726 -9.017 317 H TYR 40 H TYR 40 -3.621 14.846 -7.180 318 HA TYR 40 HA TYR 40 -1.562 13.267 -8.173 319 1HB TYR 40 2HB TYR 40 -4.130 12.689 -6.754 320 2HB TYR 40 1HB TYR 40 -3.261 11.337 -7.472 321 HD1 TYR 40 2HD TYR 40 -2.100 14.397 -5.668 322 HD2 TYR 40 1HD TYR 40 -2.203 10.135 -5.775 323 HE1 TYR 40 2HE TYR 40 -0.635 14.314 -3.701 324 HE2 TYR 40 1HE TYR 40 -0.739 10.051 -3.810 325 HH TYR 40 HH TYR 40 0.008 12.844 -1.931 326 H SER 41 H SER 41 -5.001 13.227 -9.145 327 HA SER 41 HA SER 41 -4.636 11.357 -11.243 328 1HB SER 41 2HB SER 41 -6.822 12.396 -10.010 329 2HB SER 41 1HB SER 41 -6.859 13.282 -11.534 330 HG SER 41 HG SER 41 -6.799 11.264 -12.616 331 H MET 42 H MET 42 -4.160 14.799 -11.065 332 HA MET 42 HA MET 42 -4.256 15.242 -13.898 333 1HB MET 42 2HB MET 42 -4.558 16.879 -11.786 334 2HB MET 42 1HB MET 42 -2.871 17.198 -12.158 335 1HG MET 42 2HG MET 42 -3.446 18.524 -13.828 336 2HG MET 42 1HG MET 42 -4.384 17.237 -14.579 337 1HE MET 42 1HE MET 42 -5.695 21.067 -13.283 338 2HE MET 42 2HE MET 42 -4.083 20.374 -13.123 339 3HE MET 42 3HE MET 42 -5.173 20.400 -11.736 340 H ILE 43 H ILE 43 -1.722 14.410 -11.611 341 HA ILE 43 HA ILE 43 0.263 14.778 -13.759 342 HB ILE 43 HB ILE 43 0.625 16.109 -11.671 343 1HG1 ILE 43 2HG1 ILE 43 3.055 14.736 -11.456 344 2HG1 ILE 43 1HG1 ILE 43 2.496 14.415 -13.094 345 1HG2 ILE 43 1HG2 ILE 43 -0.176 14.429 -10.067 346 2HG2 ILE 43 2HG2 ILE 43 1.438 15.015 -9.675 347 3HG2 ILE 43 3HG2 ILE 43 1.236 13.434 -10.424 348 1HD1 ILE 43 1HD1 ILE 43 3.355 16.368 -13.665 349 2HD1 ILE 43 2HD1 ILE 43 3.645 16.800 -11.980 350 3HD1 ILE 43 3HD1 ILE 43 2.078 17.135 -12.720 351 H ILE 44 H ILE 44 -0.791 12.559 -11.204 352 HA ILE 44 HA ILE 44 0.750 10.448 -12.513 353 HB ILE 44 HB ILE 44 1.025 11.228 -9.920 354 1HG1 ILE 44 2HG1 ILE 44 1.721 8.509 -10.002 355 2HG1 ILE 44 1HG1 ILE 44 1.867 9.092 -11.651 356 1HG2 ILE 44 1HG2 ILE 44 -1.172 10.375 -9.292 357 2HG2 ILE 44 2HG2 ILE 44 0.123 9.492 -8.489 358 3HG2 ILE 44 3HG2 ILE 44 -0.711 8.774 -9.867 359 1HD1 ILE 44 1HD1 ILE 44 3.091 10.601 -9.383 360 2HD1 ILE 44 2HD1 ILE 44 3.508 10.621 -11.097 361 3HD1 ILE 44 3HD1 ILE 44 3.908 9.216 -10.108 362 H LYS 45 H LYS 45 -0.517 9.465 -13.821 363 HA LYS 45 HA LYS 45 -3.258 9.257 -13.830 364 1HB LYS 45 2HB LYS 45 -1.097 8.229 -15.341 365 2HB LYS 45 1HB LYS 45 -2.174 6.883 -14.997 366 1HG LYS 45 2HG LYS 45 -3.770 7.647 -16.373 367 2HG LYS 45 1HG LYS 45 -3.540 9.322 -15.873 368 1HD LYS 45 2HD LYS 45 -1.307 8.233 -17.419 369 2HD LYS 45 1HD LYS 45 -2.832 8.273 -18.304 370 1HE LYS 45 2HE LYS 45 -3.026 10.592 -18.100 371 2HE LYS 45 1HE LYS 45 -1.869 10.666 -16.774 372 1HZ LYS 45 1HZ LYS 45 -1.364 10.396 -19.661 373 2HZ LYS 45 2HZ LYS 45 -0.226 9.804 -18.558 374 3HZ LYS 45 3HZ LYS 45 -0.646 11.442 -18.542 375 H HIS 46 H HIS 46 -0.989 6.767 -12.577 376 HA HIS 46 HA HIS 46 -3.312 5.502 -11.277 377 1HB HIS 46 2HB HIS 46 -1.420 4.405 -13.019 378 2HB HIS 46 1HB HIS 46 -0.984 3.787 -11.432 379 HD1 HIS 46 1HD HIS 46 -4.197 3.806 -10.627 380 HD2 HIS 46 2HD HIS 46 -2.280 1.798 -13.719 381 HE1 HIS 46 1HE HIS 46 -5.693 1.871 -11.200 382 HE2 HIS 46 2HE HIS 46 -4.545 0.704 -13.115 383 HA PRO 47 HA PRO 47 -0.687 6.857 -7.716 384 1HB PRO 47 2HB PRO 47 -2.674 7.944 -6.253 385 2HB PRO 47 1HB PRO 47 -1.852 8.837 -7.536 386 1HG PRO 47 2HG PRO 47 -4.530 7.541 -7.543 387 2HG PRO 47 1HG PRO 47 -3.997 9.031 -8.336 388 1HD PRO 47 2HD PRO 47 -4.298 6.567 -9.587 389 2HD PRO 47 1HD PRO 47 -3.340 7.925 -10.205 390 H MET 48 H MET 48 -3.970 5.515 -7.548 391 HA MET 48 HA MET 48 -4.965 3.972 -6.216 392 1HB MET 48 2HB MET 48 -2.534 2.859 -7.299 393 2HB MET 48 1HB MET 48 -2.924 2.109 -5.759 394 1HG MET 48 2HG MET 48 -3.849 1.021 -7.856 395 2HG MET 48 1HG MET 48 -4.974 1.310 -6.531 396 1HE MET 48 1HE MET 48 -6.716 0.775 -7.884 397 2HE MET 48 2HE MET 48 -6.688 1.095 -9.617 398 3HE MET 48 3HE MET 48 -7.718 2.059 -8.558 399 H ASP 49 H ASP 49 -5.389 5.006 -4.316 400 HA ASP 49 HA ASP 49 -3.404 5.240 -2.228 401 1HB ASP 49 2HB ASP 49 -6.382 5.728 -2.028 402 2HB ASP 49 1HB ASP 49 -5.135 6.311 -0.933 403 H PHE 50 H PHE 50 -4.197 4.548 0.062 404 HA PHE 50 HA PHE 50 -4.222 1.738 0.147 405 1HB PHE 50 2HB PHE 50 -5.027 3.624 2.371 406 2HB PHE 50 1HB PHE 50 -4.487 1.956 2.546 407 HD1 PHE 50 2HD PHE 50 -2.180 1.767 0.843 408 HD2 PHE 50 1HD PHE 50 -3.440 4.985 3.325 409 HE1 PHE 50 2HE PHE 50 0.147 2.546 1.006 410 HE2 PHE 50 1HE PHE 50 -1.118 5.768 3.495 411 HZ PHE 50 HZ PHE 50 0.682 4.550 2.332 412 H SER 51 H SER 51 -6.820 4.108 0.316 413 HA SER 51 HA SER 51 -8.860 2.272 1.083 414 1HB SER 51 2HB SER 51 -8.949 4.806 1.305 415 2HB SER 51 1HB SER 51 -9.274 4.857 -0.427 416 HG SER 51 HG SER 51 -11.158 3.686 -0.076 417 H THR 52 H THR 52 -7.712 3.535 -2.028 418 HA THR 52 HA THR 52 -9.706 2.289 -3.611 419 HB THR 52 HB THR 52 -6.966 2.852 -4.686 420 HG1 THR 52 1HG THR 52 -8.862 4.838 -3.960 421 1HG2 THR 52 1HG2 THR 52 -9.538 2.437 -5.804 422 2HG2 THR 52 2HG2 THR 52 -8.005 2.730 -6.624 423 3HG2 THR 52 3HG2 THR 52 -9.029 4.088 -6.162 424 H MET 53 H MET 53 -6.327 1.371 -2.898 425 HA MET 53 HA MET 53 -6.397 -1.052 -4.341 426 1HB MET 53 2HB MET 53 -4.330 -1.623 -3.217 427 2HB MET 53 1HB MET 53 -4.300 0.069 -3.687 428 1HG MET 53 2HG MET 53 -5.019 0.595 -1.317 429 2HG MET 53 1HG MET 53 -4.659 -1.088 -0.943 430 1HE MET 53 1HE MET 53 -1.280 -1.686 -0.837 431 2HE MET 53 2HE MET 53 -1.302 -1.371 -2.572 432 3HE MET 53 3HE MET 53 -2.668 -2.181 -1.806 433 H LYS 54 H LYS 54 -7.069 -0.320 -0.932 434 HA LYS 54 HA LYS 54 -7.331 -2.946 0.002 435 1HB LYS 54 2HB LYS 54 -7.221 -0.969 1.468 436 2HB LYS 54 1HB LYS 54 -8.820 -0.483 0.925 437 1HG LYS 54 2HG LYS 54 -9.687 -2.647 1.846 438 2HG LYS 54 1HG LYS 54 -8.090 -2.904 2.551 439 1HD LYS 54 2HD LYS 54 -8.556 -1.548 4.254 440 2HD LYS 54 1HD LYS 54 -9.045 -0.256 3.156 441 1HE LYS 54 2HE LYS 54 -11.268 -1.289 2.961 442 2HE LYS 54 1HE LYS 54 -10.772 -2.541 4.100 443 1HZ LYS 54 1HZ LYS 54 -10.973 0.368 4.667 444 2HZ LYS 54 2HZ LYS 54 -10.412 -0.794 5.761 445 3HZ LYS 54 3HZ LYS 54 -12.017 -0.838 5.231 446 H GLU 55 H GLU 55 -9.719 -0.784 -1.493 447 HA GLU 55 HA GLU 55 -11.963 -2.466 -1.174 448 1HB GLU 55 2HB GLU 55 -12.121 -0.073 -1.766 449 2HB GLU 55 1HB GLU 55 -11.420 -0.420 -3.339 450 1HG GLU 55 2HG GLU 55 -13.363 -1.113 -4.181 451 2HG GLU 55 1HG GLU 55 -13.764 -2.045 -2.740 452 H LYS 56 H LYS 56 -9.520 -2.196 -3.705 453 HA LYS 56 HA LYS 56 -10.702 -4.025 -5.516 454 1HB LYS 56 2HB LYS 56 -7.781 -3.304 -5.226 455 2HB LYS 56 1HB LYS 56 -8.539 -4.038 -6.632 456 1HG LYS 56 2HG LYS 56 -9.573 -1.422 -5.672 457 2HG LYS 56 1HG LYS 56 -8.031 -1.464 -6.530 458 1HD LYS 56 2HD LYS 56 -9.256 -2.816 -8.313 459 2HD LYS 56 1HD LYS 56 -10.744 -2.309 -7.509 460 1HE LYS 56 2HE LYS 56 -9.990 0.056 -7.775 461 2HE LYS 56 1HE LYS 56 -8.640 -0.537 -8.743 462 1HZ LYS 56 1HZ LYS 56 -10.096 -0.159 -10.404 463 2HZ LYS 56 2HZ LYS 56 -11.461 -0.329 -9.421 464 3HZ LYS 56 3HZ LYS 56 -10.660 -1.702 -9.999 465 H ILE 57 H ILE 57 -8.396 -4.395 -2.851 466 HA ILE 57 HA ILE 57 -7.640 -7.052 -3.329 467 HB ILE 57 HB ILE 57 -7.897 -5.625 -0.674 468 1HG1 ILE 57 2HG1 ILE 57 -5.286 -6.211 -1.994 469 2HG1 ILE 57 1HG1 ILE 57 -6.252 -4.892 -2.643 470 1HG2 ILE 57 1HG2 ILE 57 -6.935 -8.337 -1.405 471 2HG2 ILE 57 2HG2 ILE 57 -7.750 -7.779 0.056 472 3HG2 ILE 57 3HG2 ILE 57 -6.033 -7.448 -0.176 473 1HD1 ILE 57 1HD1 ILE 57 -5.610 -3.547 -1.010 474 2HD1 ILE 57 2HD1 ILE 57 -4.485 -4.804 -0.498 475 3HD1 ILE 57 3HD1 ILE 57 -6.093 -4.713 0.221 476 H LYS 58 H LYS 58 -10.412 -5.700 -1.585 477 HA LYS 58 HA LYS 58 -11.414 -8.076 -0.491 478 1HB LYS 58 2HB LYS 58 -12.133 -5.660 -0.040 479 2HB LYS 58 1HB LYS 58 -13.149 -5.816 -1.465 480 1HG LYS 58 2HG LYS 58 -14.679 -6.424 0.071 481 2HG LYS 58 1HG LYS 58 -13.931 -8.007 -0.147 482 1HD LYS 58 2HD LYS 58 -12.937 -7.968 1.896 483 2HD LYS 58 1HD LYS 58 -12.684 -6.222 1.858 484 1HE LYS 58 2HE LYS 58 -14.280 -6.804 3.590 485 2HE LYS 58 1HE LYS 58 -15.070 -5.877 2.316 486 1HZ LYS 58 1HZ LYS 58 -16.301 -7.650 1.658 487 2HZ LYS 58 2HZ LYS 58 -16.117 -8.074 3.285 488 3HZ LYS 58 3HZ LYS 58 -15.138 -8.795 2.109 489 H ASN 59 H ASN 59 -11.462 -6.919 -3.769 490 HA ASN 59 HA ASN 59 -13.472 -8.909 -4.547 491 1HB ASN 59 2HB ASN 59 -12.377 -6.426 -5.801 492 2HB ASN 59 1HB ASN 59 -13.031 -7.682 -6.843 493 1HD2 ASN 59 1HD2 ASN 59 -13.781 -4.921 -5.240 494 2HD2 ASN 59 2HD2 ASN 59 -15.490 -5.129 -5.088 495 H ASN 60 H ASN 60 -10.564 -9.420 -3.789 496 HA ASN 60 HA ASN 60 -8.879 -10.797 -4.400 497 1HB ASN 60 2HB ASN 60 -11.204 -11.907 -5.557 498 2HB ASN 60 1HB ASN 60 -9.940 -12.013 -6.780 499 1HD2 ASN 60 1HD2 ASN 60 -10.215 -12.423 -3.261 500 2HD2 ASN 60 2HD2 ASN 60 -9.344 -13.912 -3.197 501 H ASP 61 H ASP 61 -9.271 -8.102 -5.700 502 HA ASP 61 HA ASP 61 -8.154 -8.303 -8.327 503 1HB ASP 61 2HB ASP 61 -9.543 -6.374 -7.319 504 2HB ASP 61 1HB ASP 61 -8.030 -5.853 -6.582 505 H TYR 62 H TYR 62 -6.894 -7.761 -5.083 506 HA TYR 62 HA TYR 62 -4.167 -8.064 -6.151 507 1HB TYR 62 2HB TYR 62 -5.039 -6.339 -3.820 508 2HB TYR 62 1HB TYR 62 -3.371 -6.604 -4.316 509 HD1 TYR 62 2HD TYR 62 -2.839 -5.995 -6.819 510 HD2 TYR 62 1HD TYR 62 -6.166 -4.492 -4.632 511 HE1 TYR 62 2HE TYR 62 -3.021 -4.117 -8.395 512 HE2 TYR 62 1HE TYR 62 -6.351 -2.605 -6.194 513 HH TYR 62 HH TYR 62 -5.657 -1.767 -8.176 514 H GLN 63 H GLN 63 -3.531 -10.032 -5.633 515 HA GLN 63 HA GLN 63 -3.657 -10.904 -2.861 516 1HB GLN 63 2HB GLN 63 -5.682 -11.818 -3.972 517 2HB GLN 63 1HB GLN 63 -4.651 -12.608 -5.155 518 1HG GLN 63 2HG GLN 63 -3.836 -13.313 -2.492 519 2HG GLN 63 1HG GLN 63 -5.556 -13.630 -2.721 520 1HE2 GLN 63 1HE2 GLN 63 -5.716 -14.375 -5.309 521 2HE2 GLN 63 2HE2 GLN 63 -4.807 -15.819 -5.583 522 H SER 64 H SER 64 -1.691 -10.015 -4.985 523 HA SER 64 HA SER 64 0.158 -12.271 -4.696 524 1HB SER 64 2HB SER 64 -0.549 -12.170 -7.035 525 2HB SER 64 1HB SER 64 -0.120 -10.461 -7.112 526 HG SER 64 HG SER 64 1.438 -12.544 -7.571 527 H ILE 65 H ILE 65 2.151 -11.766 -4.067 528 HA ILE 65 HA ILE 65 2.656 -9.456 -2.630 529 HB ILE 65 HB ILE 65 5.066 -10.127 -2.718 530 1HG1 ILE 65 2HG1 ILE 65 5.080 -12.684 -3.652 531 2HG1 ILE 65 1HG1 ILE 65 4.000 -11.914 -4.807 532 1HG2 ILE 65 1HG2 ILE 65 4.604 -12.398 -1.599 533 2HG2 ILE 65 2HG2 ILE 65 2.908 -12.006 -1.875 534 3HG2 ILE 65 3HG2 ILE 65 3.908 -10.942 -0.888 535 1HD1 ILE 65 1HD1 ILE 65 6.895 -11.461 -4.320 536 2HD1 ILE 65 2HD1 ILE 65 5.914 -10.127 -4.922 537 3HD1 ILE 65 3HD1 ILE 65 6.014 -11.630 -5.838 538 H GLU 66 H GLU 66 3.512 -10.253 -5.975 539 HA GLU 66 HA GLU 66 5.056 -7.912 -6.440 540 1HB GLU 66 2HB GLU 66 5.092 -10.081 -7.774 541 2HB GLU 66 1HB GLU 66 3.613 -9.522 -8.541 542 1HG GLU 66 2HG GLU 66 5.055 -8.710 -10.061 543 2HG GLU 66 1HG GLU 66 5.144 -7.363 -8.928 544 H GLU 67 H GLU 67 1.647 -8.722 -6.959 545 HA GLU 67 HA GLU 67 0.980 -6.324 -8.344 546 1HB GLU 67 2HB GLU 67 -0.595 -8.482 -6.970 547 2HB GLU 67 1HB GLU 67 -1.397 -7.021 -7.533 548 1HG GLU 67 2HG GLU 67 0.345 -8.428 -9.465 549 2HG GLU 67 1HG GLU 67 -1.168 -9.215 -9.019 550 H LEU 68 H LEU 68 0.626 -7.397 -5.000 551 HA LEU 68 HA LEU 68 -0.573 -5.052 -3.997 552 1HB LEU 68 2HB LEU 68 -0.513 -7.332 -2.932 553 2HB LEU 68 1HB LEU 68 1.153 -7.011 -2.495 554 HG LEU 68 HG LEU 68 -0.028 -4.831 -1.431 555 1HD1 LEU 68 1HD1 LEU 68 -2.021 -6.241 -0.210 556 2HD1 LEU 68 2HD1 LEU 68 -2.141 -6.803 -1.880 557 3HD1 LEU 68 3HD1 LEU 68 -2.251 -5.080 -1.518 558 1HD2 LEU 68 1HD2 LEU 68 1.234 -5.825 0.123 559 2HD2 LEU 68 2HD2 LEU 68 0.878 -7.441 -0.485 560 3HD2 LEU 68 3HD2 LEU 68 -0.250 -6.640 0.610 561 H LYS 69 H LYS 69 2.792 -6.062 -4.337 562 HA LYS 69 HA LYS 69 3.922 -3.938 -2.829 563 1HB LYS 69 2HB LYS 69 4.956 -5.976 -4.737 564 2HB LYS 69 1HB LYS 69 5.962 -4.567 -4.435 565 1HG LYS 69 2HG LYS 69 5.640 -5.110 -1.949 566 2HG LYS 69 1HG LYS 69 5.069 -6.681 -2.511 567 1HD LYS 69 2HD LYS 69 7.363 -6.401 -3.949 568 2HD LYS 69 1HD LYS 69 7.786 -5.569 -2.450 569 1HE LYS 69 2HE LYS 69 7.269 -7.509 -1.149 570 2HE LYS 69 1HE LYS 69 6.585 -8.330 -2.551 571 1HZ LYS 69 1HZ LYS 69 9.364 -7.457 -2.751 572 2HZ LYS 69 2HZ LYS 69 8.621 -8.853 -3.352 573 3HZ LYS 69 3HZ LYS 69 9.046 -8.758 -1.717 574 H ASP 70 H ASP 70 3.418 -4.395 -6.323 575 HA ASP 70 HA ASP 70 4.590 -1.999 -7.173 576 1HB ASP 70 2HB ASP 70 3.585 -4.094 -8.493 577 2HB ASP 70 1HB ASP 70 2.202 -3.015 -8.642 578 H ASN 71 H ASN 71 1.275 -2.712 -6.141 579 HA ASN 71 HA ASN 71 0.223 -0.153 -6.763 580 1HB ASN 71 2HB ASN 71 -0.699 -2.556 -5.313 581 2HB ASN 71 1HB ASN 71 -1.444 -1.040 -4.815 582 1HD2 ASN 71 1HD2 ASN 71 -3.120 -0.356 -5.941 583 2HD2 ASN 71 2HD2 ASN 71 -3.563 -0.899 -7.521 584 H PHE 72 H PHE 72 1.331 -1.560 -3.658 585 HA PHE 72 HA PHE 72 0.840 0.755 -2.116 586 1HB PHE 72 2HB PHE 72 1.343 -1.643 -1.299 587 2HB PHE 72 1HB PHE 72 3.039 -1.212 -1.489 588 HD1 PHE 72 2HD PHE 72 4.054 0.500 -0.048 589 HD2 PHE 72 1HD PHE 72 0.018 -0.745 0.492 590 HE1 PHE 72 2HE PHE 72 4.032 1.545 2.181 591 HE2 PHE 72 1HE PHE 72 -0.007 0.302 2.717 592 HZ PHE 72 HZ PHE 72 1.999 1.445 3.565 593 H LYS 73 H LYS 73 3.752 -0.414 -3.765 594 HA LYS 73 HA LYS 73 5.426 1.718 -2.956 595 1HB LYS 73 2HB LYS 73 5.989 -0.623 -4.006 596 2HB LYS 73 1HB LYS 73 5.866 0.248 -5.529 597 1HG LYS 73 2HG LYS 73 7.548 1.887 -4.546 598 2HG LYS 73 1HG LYS 73 7.804 0.685 -3.279 599 1HD LYS 73 2HD LYS 73 8.131 -0.951 -5.281 600 2HD LYS 73 1HD LYS 73 8.428 0.525 -6.201 601 1HE LYS 73 2HE LYS 73 10.450 0.815 -5.285 602 2HE LYS 73 1HE LYS 73 9.864 0.441 -3.665 603 1HZ LYS 73 1HZ LYS 73 10.422 -1.727 -3.864 604 2HZ LYS 73 2HZ LYS 73 11.553 -1.113 -4.960 605 3HZ LYS 73 3HZ LYS 73 10.111 -1.793 -5.526 606 H LEU 74 H LEU 74 3.271 1.269 -5.730 607 HA LEU 74 HA LEU 74 4.166 3.414 -7.298 608 1HB LEU 74 2HB LEU 74 1.670 1.826 -7.121 609 2HB LEU 74 1HB LEU 74 1.539 3.391 -7.902 610 HG LEU 74 HG LEU 74 3.599 1.362 -8.738 611 1HD1 LEU 74 1HD1 LEU 74 1.041 0.697 -8.846 612 2HD1 LEU 74 2HD1 LEU 74 2.161 0.310 -10.151 613 3HD1 LEU 74 3HD1 LEU 74 1.095 1.707 -10.292 614 1HD2 LEU 74 1HD2 LEU 74 3.640 2.638 -10.790 615 2HD2 LEU 74 2HD2 LEU 74 3.925 3.713 -9.420 616 3HD2 LEU 74 3HD2 LEU 74 2.345 3.682 -10.203 617 H MET 75 H MET 75 1.664 3.325 -4.754 618 HA MET 75 HA MET 75 0.928 6.046 -5.025 619 1HB MET 75 2HB MET 75 -0.301 4.141 -3.767 620 2HB MET 75 1HB MET 75 0.748 4.561 -2.421 621 1HG MET 75 2HG MET 75 -0.894 6.652 -3.803 622 2HG MET 75 1HG MET 75 -1.591 5.623 -2.552 623 1HE MET 75 1HE MET 75 -0.299 5.274 -0.210 624 2HE MET 75 2HE MET 75 0.793 6.469 0.492 625 3HE MET 75 3HE MET 75 1.367 5.391 -0.780 626 H CYS 76 H CYS 76 3.312 4.389 -3.000 627 HA CYS 76 HA CYS 76 4.071 6.606 -1.446 628 1HB CYS 76 2HB CYS 76 5.283 3.970 -2.115 629 2HB CYS 76 1HB CYS 76 6.344 5.201 -1.442 630 HG CYS 76 HG CYS 76 4.997 5.167 0.732 631 H THR 77 H THR 77 5.379 5.338 -4.511 632 HA THR 77 HA THR 77 7.397 7.338 -4.734 633 HB THR 77 HB THR 77 6.250 5.813 -7.064 634 HG1 THR 77 1HG THR 77 7.957 4.858 -5.020 635 1HG2 THR 77 1HG2 THR 77 7.945 6.742 -8.129 636 2HG2 THR 77 2HG2 THR 77 9.024 5.775 -7.123 637 3HG2 THR 77 3HG2 THR 77 8.595 7.417 -6.637 638 H ASN 78 H ASN 78 4.225 6.919 -6.314 639 HA ASN 78 HA ASN 78 4.290 9.237 -7.876 640 1HB ASN 78 2HB ASN 78 1.896 7.807 -6.696 641 2HB ASN 78 1HB ASN 78 1.838 8.986 -7.994 642 1HD2 ASN 78 1HD2 ASN 78 0.688 6.974 -8.871 643 2HD2 ASN 78 2HD2 ASN 78 1.662 5.880 -9.776 644 H ALA 79 H ALA 79 3.101 8.699 -4.572 645 HA ALA 79 HA ALA 79 2.066 11.324 -4.214 646 1HB ALA 79 1HB ALA 79 1.267 9.541 -2.811 647 2HB ALA 79 2HB ALA 79 2.065 10.741 -1.796 648 3HB ALA 79 3HB ALA 79 2.892 9.236 -2.198 649 H MET 80 H MET 80 5.172 9.793 -3.453 650 HA MET 80 HA MET 80 6.292 11.976 -2.054 651 1HB MET 80 2HB MET 80 7.339 9.502 -3.329 652 2HB MET 80 1HB MET 80 8.494 10.788 -3.014 653 1HG MET 80 2HG MET 80 7.123 10.629 -0.649 654 2HG MET 80 1HG MET 80 7.185 8.950 -1.175 655 1HE MET 80 1HE MET 80 10.423 9.893 -2.815 656 2HE MET 80 2HE MET 80 9.481 8.415 -2.618 657 3HE MET 80 3HE MET 80 11.048 8.574 -1.824 658 H ILE 81 H ILE 81 6.588 10.985 -5.473 659 HA ILE 81 HA ILE 81 8.302 13.040 -6.274 660 HB ILE 81 HB ILE 81 7.800 11.062 -7.663 661 1HG1 ILE 81 2HG1 ILE 81 7.537 12.379 -9.859 662 2HG1 ILE 81 1HG1 ILE 81 7.463 13.813 -8.839 663 1HG2 ILE 81 1HG2 ILE 81 5.453 10.812 -7.430 664 2HG2 ILE 81 2HG2 ILE 81 5.766 11.160 -9.128 665 3HG2 ILE 81 3HG2 ILE 81 5.149 12.426 -8.069 666 1HD1 ILE 81 1HD1 ILE 81 9.726 11.964 -8.395 667 2HD1 ILE 81 2HD1 ILE 81 9.664 13.726 -8.328 668 3HD1 ILE 81 3HD1 ILE 81 9.723 12.904 -9.887 669 H TYR 82 H TYR 82 4.775 13.009 -5.947 670 HA TYR 82 HA TYR 82 4.686 15.792 -6.872 671 1HB TYR 82 2HB TYR 82 3.045 13.904 -7.663 672 2HB TYR 82 1HB TYR 82 2.227 14.233 -6.138 673 HD1 TYR 82 1HD TYR 82 3.916 16.713 -8.340 674 HD2 TYR 82 2HD TYR 82 0.211 15.191 -6.896 675 HE1 TYR 82 1HE TYR 82 2.740 18.605 -9.377 676 HE2 TYR 82 2HE TYR 82 -0.971 17.079 -7.932 677 HH TYR 82 HH TYR 82 -0.315 18.714 -10.080 678 H ASN 83 H ASN 83 5.873 15.145 -4.332 679 HA ASN 83 HA ASN 83 4.555 17.071 -2.720 680 1HB ASN 83 2HB ASN 83 3.364 14.662 -2.422 681 2HB ASN 83 1HB ASN 83 4.644 14.514 -1.223 682 1HD2 ASN 83 1HD2 ASN 83 4.881 16.912 -0.113 683 2HD2 ASN 83 2HD2 ASN 83 3.398 17.430 0.605 684 H LYS 84 H LYS 84 6.641 17.961 -2.841 685 HA LYS 84 HA LYS 84 8.996 16.623 -2.030 686 1HB LYS 84 2HB LYS 84 8.207 19.463 -2.508 687 2HB LYS 84 1HB LYS 84 9.700 19.162 -1.631 688 1HG LYS 84 2HG LYS 84 10.782 18.686 -3.506 689 2HG LYS 84 1HG LYS 84 9.560 17.504 -3.977 690 1HD LYS 84 2HD LYS 84 8.881 20.382 -4.273 691 2HD LYS 84 1HD LYS 84 10.044 19.693 -5.408 692 1HE LYS 84 2HE LYS 84 7.458 18.290 -4.866 693 2HE LYS 84 1HE LYS 84 7.504 19.658 -5.977 694 1HZ LYS 84 1HZ LYS 84 9.397 18.385 -7.095 695 2HZ LYS 84 2HZ LYS 84 7.823 17.808 -7.325 696 3HZ LYS 84 3HZ LYS 84 8.851 17.039 -6.224 697 HA PRO 85 HA PRO 85 8.999 16.759 2.377 698 1HB PRO 85 2HB PRO 85 11.400 17.922 3.018 699 2HB PRO 85 1HB PRO 85 11.225 16.247 2.486 700 1HG PRO 85 2HG PRO 85 12.014 18.666 0.913 701 2HG PRO 85 1HG PRO 85 12.691 17.027 0.861 702 1HD PRO 85 2HD PRO 85 10.976 17.914 -1.010 703 2HD PRO 85 1HD PRO 85 10.968 16.226 -0.463 704 H GLU 86 H GLU 86 7.244 18.415 2.105 705 HA GLU 86 HA GLU 86 7.932 21.170 2.644 706 1HB GLU 86 2HB GLU 86 5.515 19.656 1.912 707 2HB GLU 86 1HB GLU 86 5.223 21.014 2.990 708 1HG GLU 86 2HG GLU 86 6.114 22.556 1.436 709 2HG GLU 86 1HG GLU 86 6.777 21.267 0.432 710 H THR 87 H THR 87 5.848 18.802 4.324 711 HA THR 87 HA THR 87 6.820 19.865 6.879 712 HB THR 87 HB THR 87 4.219 19.261 7.484 713 HG1 THR 87 1HG THR 87 3.700 19.062 5.253 714 1HG2 THR 87 1HG2 THR 87 5.662 21.777 6.927 715 2HG2 THR 87 2HG2 THR 87 4.826 21.238 8.382 716 3HG2 THR 87 3HG2 THR 87 3.903 21.856 7.013 717 H ILE 88 H ILE 88 4.234 17.502 6.369 718 HA ILE 88 HA ILE 88 6.049 15.413 7.376 719 HB ILE 88 HB ILE 88 3.121 15.618 8.087 720 1HG1 ILE 88 2HG1 ILE 88 5.344 16.132 10.037 721 2HG1 ILE 88 1HG1 ILE 88 4.784 17.438 8.999 722 1HG2 ILE 88 1HG2 ILE 88 3.535 13.437 8.493 723 2HG2 ILE 88 2HG2 ILE 88 4.241 14.068 9.979 724 3HG2 ILE 88 3HG2 ILE 88 5.278 13.677 8.608 725 1HD1 ILE 88 1HD1 ILE 88 2.974 17.766 10.236 726 2HD1 ILE 88 2HD1 ILE 88 3.750 16.745 11.443 727 3HD1 ILE 88 3HD1 ILE 88 2.600 16.045 10.305 728 H TYR 89 H TYR 89 4.193 16.340 4.777 729 HA TYR 89 HA TYR 89 2.847 13.970 4.071 730 1HB TYR 89 2HB TYR 89 3.956 16.149 2.289 731 2HB TYR 89 1HB TYR 89 2.813 14.910 1.782 732 HD1 TYR 89 2HD TYR 89 0.511 14.886 2.796 733 HD2 TYR 89 1HD TYR 89 3.227 18.108 3.388 734 HE1 TYR 89 2HE TYR 89 -1.357 16.327 3.488 735 HE2 TYR 89 1HE TYR 89 1.369 19.556 4.081 736 HH TYR 89 HH TYR 89 -1.126 19.656 3.707 737 H TYR 90 H TYR 90 6.080 15.181 3.172 738 HA TYR 90 HA TYR 90 6.761 12.987 1.519 739 1HB TYR 90 2HB TYR 90 7.925 15.212 1.527 740 2HB TYR 90 1HB TYR 90 8.674 14.760 3.053 741 HD1 TYR 90 1HD TYR 90 10.284 12.845 3.111 742 HD2 TYR 90 2HD TYR 90 8.769 14.405 -0.546 743 HE1 TYR 90 1HE TYR 90 12.113 11.747 1.891 744 HE2 TYR 90 2HE TYR 90 10.591 13.309 -1.777 745 HH TYR 90 HH TYR 90 13.180 12.485 -0.886 746 H LYS 91 H LYS 91 7.514 13.709 4.920 747 HA LYS 91 HA LYS 91 8.990 11.363 5.427 748 1HB LYS 91 2HB LYS 91 8.973 13.442 6.839 749 2HB LYS 91 1HB LYS 91 7.393 12.953 7.438 750 1HG LYS 91 2HG LYS 91 8.739 10.713 7.967 751 2HG LYS 91 1HG LYS 91 10.076 11.865 8.041 752 1HD LYS 91 2HD LYS 91 8.913 13.175 9.699 753 2HD LYS 91 1HD LYS 91 7.485 12.148 9.559 754 1HE LYS 91 2HE LYS 91 8.510 10.361 10.631 755 2HE LYS 91 1HE LYS 91 10.132 10.971 10.308 756 1HZ LYS 91 1HZ LYS 91 9.404 12.903 11.828 757 2HZ LYS 91 2HZ LYS 91 9.840 11.432 12.536 758 3HZ LYS 91 3HZ LYS 91 8.207 11.834 12.365 759 H ALA 92 H ALA 92 5.535 12.104 5.772 760 HA ALA 92 HA ALA 92 4.733 9.795 7.129 761 1HB ALA 92 1HB ALA 92 3.215 11.462 5.123 762 2HB ALA 92 2HB ALA 92 3.219 11.649 6.877 763 3HB ALA 92 3HB ALA 92 2.490 10.220 6.144 764 H ALA 93 H ALA 93 5.077 10.401 3.648 765 HA ALA 93 HA ALA 93 4.116 7.885 2.782 766 1HB ALA 93 1HB ALA 93 5.852 9.963 1.473 767 2HB ALA 93 2HB ALA 93 4.150 9.611 1.176 768 3HB ALA 93 3HB ALA 93 5.391 8.468 0.658 769 H LYS 94 H LYS 94 7.409 9.096 3.393 770 HA LYS 94 HA LYS 94 8.760 6.742 2.623 771 1HB LYS 94 2HB LYS 94 9.522 9.264 3.389 772 2HB LYS 94 1HB LYS 94 10.048 8.291 4.756 773 1HG LYS 94 2HG LYS 94 11.622 7.181 3.540 774 2HG LYS 94 1HG LYS 94 10.723 7.333 2.028 775 1HD LYS 94 2HD LYS 94 11.247 9.794 2.092 776 2HD LYS 94 1HD LYS 94 12.339 9.452 3.437 777 1HE LYS 94 2HE LYS 94 12.642 7.825 0.973 778 2HE LYS 94 1HE LYS 94 13.154 9.510 0.900 779 1HZ LYS 94 1HZ LYS 94 14.371 8.884 3.102 780 2HZ LYS 94 2HZ LYS 94 15.058 8.488 1.609 781 3HZ LYS 94 3HZ LYS 94 14.246 7.305 2.503 782 H LYS 95 H LYS 95 7.610 7.865 5.795 783 HA LYS 95 HA LYS 95 8.662 5.767 7.335 784 1HB LYS 95 2HB LYS 95 6.440 7.732 7.699 785 2HB LYS 95 1HB LYS 95 6.545 6.374 8.808 786 1HG LYS 95 2HG LYS 95 9.134 7.392 8.686 787 2HG LYS 95 1HG LYS 95 8.084 8.808 8.724 788 1HD LYS 95 2HD LYS 95 7.247 8.302 10.804 789 2HD LYS 95 1HD LYS 95 7.543 6.573 10.621 790 1HE LYS 95 2HE LYS 95 9.716 6.733 11.295 791 2HE LYS 95 1HE LYS 95 9.902 8.370 10.670 792 1HZ LYS 95 1HZ LYS 95 8.304 7.700 13.080 793 2HZ LYS 95 2HZ LYS 95 8.732 9.241 12.533 794 3HZ LYS 95 3HZ LYS 95 9.918 8.198 13.133 795 H LEU 96 H LEU 96 5.434 6.144 5.868 796 HA LEU 96 HA LEU 96 4.438 3.644 6.713 797 1HB LEU 96 2HB LEU 96 3.364 5.826 5.502 798 2HB LEU 96 1HB LEU 96 3.412 4.698 4.161 799 HG LEU 96 HG LEU 96 2.054 3.105 5.401 800 1HD1 LEU 96 1HD1 LEU 96 2.421 3.214 7.635 801 2HD1 LEU 96 2HD1 LEU 96 0.991 4.243 7.570 802 3HD1 LEU 96 3HD1 LEU 96 2.597 4.967 7.637 803 1HD2 LEU 96 1HD2 LEU 96 0.065 4.158 5.035 804 2HD2 LEU 96 2HD2 LEU 96 1.142 5.259 4.176 805 3HD2 LEU 96 3HD2 LEU 96 0.586 5.657 5.801 806 H LEU 97 H LEU 97 6.393 4.601 3.962 807 HA LEU 97 HA LEU 97 6.033 2.327 2.346 808 1HB LEU 97 2HB LEU 97 7.340 4.612 1.974 809 2HB LEU 97 1HB LEU 97 8.707 3.647 2.493 810 HG LEU 97 HG LEU 97 6.921 2.808 0.216 811 1HD1 LEU 97 1HD1 LEU 97 8.134 3.996 -1.305 812 2HD1 LEU 97 2HD1 LEU 97 9.570 4.056 -0.282 813 3HD1 LEU 97 3HD1 LEU 97 8.200 5.114 0.058 814 1HD2 LEU 97 1HD2 LEU 97 9.305 1.758 -0.323 815 2HD2 LEU 97 2HD2 LEU 97 8.127 0.944 0.704 816 3HD2 LEU 97 3HD2 LEU 97 9.452 1.853 1.431 817 H HIS 98 H HIS 98 8.320 3.026 4.959 818 HA HIS 98 HA HIS 98 9.779 0.609 4.773 819 1HB HIS 98 2HB HIS 98 9.438 2.651 6.960 820 2HB HIS 98 1HB HIS 98 10.395 1.193 7.206 821 HD1 HIS 98 1HD HIS 98 10.258 3.967 4.585 822 HD2 HIS 98 2HD HIS 98 12.997 1.634 6.668 823 HE1 HIS 98 1HE HIS 98 12.523 4.756 3.834 824 HE2 HIS 98 2HE HIS 98 14.163 3.284 5.053 825 H SER 99 H SER 99 6.996 1.588 6.761 826 HA SER 99 HA SER 99 6.838 -0.822 8.238 827 1HB SER 99 2HB SER 99 4.607 -0.068 8.907 828 2HB SER 99 1HB SER 99 5.754 1.265 8.991 829 HG SER 99 HG SER 99 3.543 1.471 7.865 830 H GLY 100 H GLY 100 5.352 0.253 5.213 831 1HA GLY 100 2HA GLY 100 3.643 -1.999 4.894 832 2HA GLY 100 1HA GLY 100 4.131 -0.880 3.627 833 H MET 101 H MET 101 6.992 -1.371 4.010 834 HA MET 101 HA MET 101 7.268 -3.581 2.244 835 1HB MET 101 2HB MET 101 9.136 -1.698 3.613 836 2HB MET 101 1HB MET 101 9.797 -3.184 2.944 837 1HG MET 101 2HG MET 101 8.515 -2.471 0.799 838 2HG MET 101 1HG MET 101 8.534 -0.875 1.545 839 1HE MET 101 1HE MET 101 11.124 0.433 2.117 840 2HE MET 101 2HE MET 101 12.485 -0.685 2.225 841 3HE MET 101 3HE MET 101 11.032 -0.970 3.184 842 H LYS 102 H LYS 102 7.963 -3.114 5.698 843 HA LYS 102 HA LYS 102 9.116 -5.671 6.088 844 1HB LYS 102 2HB LYS 102 8.745 -5.240 8.511 845 2HB LYS 102 1HB LYS 102 9.592 -3.943 7.679 846 1HG LYS 102 2HG LYS 102 7.687 -2.547 7.715 847 2HG LYS 102 1HG LYS 102 6.634 -3.877 8.203 848 1HD LYS 102 2HD LYS 102 8.176 -4.009 10.278 849 2HD LYS 102 1HD LYS 102 8.656 -2.375 9.816 850 1HE LYS 102 2HE LYS 102 6.090 -1.945 9.711 851 2HE LYS 102 1HE LYS 102 5.990 -3.389 10.718 852 1HZ LYS 102 1HZ LYS 102 6.319 -0.912 11.671 853 2HZ LYS 102 2HZ LYS 102 7.929 -1.420 11.588 854 3HZ LYS 102 3HZ LYS 102 6.808 -2.308 12.490 855 H ILE 103 H ILE 103 5.801 -4.458 6.658 856 HA ILE 103 HA ILE 103 4.781 -6.854 7.706 857 HB ILE 103 HB ILE 103 2.549 -5.954 7.056 858 1HG1 ILE 103 2HG1 ILE 103 3.065 -3.302 6.476 859 2HG1 ILE 103 1HG1 ILE 103 4.223 -4.169 5.477 860 1HG2 ILE 103 1HG2 ILE 103 3.033 -3.718 8.452 861 2HG2 ILE 103 2HG2 ILE 103 4.514 -4.616 8.786 862 3HG2 ILE 103 3HG2 ILE 103 2.948 -5.323 9.178 863 1HD1 ILE 103 1HD1 ILE 103 2.139 -5.599 4.821 864 2HD1 ILE 103 2HD1 ILE 103 2.428 -4.030 4.069 865 3HD1 ILE 103 3HD1 ILE 103 1.253 -4.178 5.376 866 H LEU 104 H LEU 104 5.003 -5.660 4.372 867 HA LEU 104 HA LEU 104 3.434 -7.610 3.127 868 1HB LEU 104 2HB LEU 104 5.279 -5.570 2.320 869 2HB LEU 104 1HB LEU 104 5.606 -7.030 1.409 870 HG LEU 104 HG LEU 104 2.760 -6.284 1.563 871 1HD1 LEU 104 1HD1 LEU 104 3.394 -4.669 -0.467 872 2HD1 LEU 104 2HD1 LEU 104 4.815 -4.418 0.546 873 3HD1 LEU 104 3HD1 LEU 104 3.207 -4.098 1.191 874 1HD2 LEU 104 1HD2 LEU 104 3.233 -8.080 0.163 875 2HD2 LEU 104 2HD2 LEU 104 4.688 -7.320 -0.486 876 3HD2 LEU 104 3HD2 LEU 104 3.097 -6.723 -0.956 877 H SER 105 H SER 105 6.871 -7.653 4.008 878 HA SER 105 HA SER 105 7.526 -10.098 2.772 879 1HB SER 105 2HB SER 105 9.088 -8.298 3.794 880 2HB SER 105 1HB SER 105 8.846 -9.166 5.310 881 HG SER 105 HG SER 105 9.744 -10.988 4.392 882 H GLN 106 H GLN 106 6.040 -9.362 5.867 883 HA GLN 106 HA GLN 106 6.395 -11.815 7.160 884 1HB GLN 106 2HB GLN 106 4.771 -9.451 7.520 885 2HB GLN 106 1HB GLN 106 3.850 -10.898 7.904 886 1HG GLN 106 2HG GLN 106 5.715 -11.591 9.410 887 2HG GLN 106 1HG GLN 106 6.459 -10.020 9.115 888 1HE2 GLN 106 1HE2 GLN 106 5.432 -8.147 9.892 889 2HE2 GLN 106 2HE2 GLN 106 4.269 -8.222 11.167 890 H GLU 107 H GLU 107 4.141 -10.865 4.647 891 HA GLU 107 HA GLU 107 2.225 -12.866 4.847 892 1HB GLU 107 2HB GLU 107 2.902 -10.862 2.994 893 2HB GLU 107 1HB GLU 107 2.878 -12.363 2.079 894 1HG GLU 107 2HG GLU 107 0.671 -12.384 2.054 895 2HG GLU 107 1HG GLU 107 0.600 -12.255 3.808 896 H ARG 108 H ARG 108 5.402 -12.958 3.270 897 HA ARG 108 HA ARG 108 5.164 -15.887 3.132 898 1HB ARG 108 2HB ARG 108 5.540 -14.020 0.949 899 2HB ARG 108 1HB ARG 108 6.888 -15.144 1.052 900 1HG ARG 108 2HG ARG 108 4.798 -16.842 1.311 901 2HG ARG 108 1HG ARG 108 4.095 -15.601 0.273 902 1HD ARG 108 2HD ARG 108 6.450 -15.904 -0.960 903 2HD ARG 108 1HD ARG 108 6.294 -17.515 -0.264 904 HE ARG 108 HE ARG 108 4.697 -17.973 -1.821 905 1HH1 ARG 108 1HH1 ARG 108 4.965 -14.495 -1.540 906 2HH1 ARG 108 2HH1 ARG 108 3.877 -14.179 -2.849 907 1HH2 ARG 108 1HH2 ARG 108 3.264 -17.551 -3.547 908 2HH2 ARG 108 2HH2 ARG 108 2.911 -15.917 -3.990 909 H LEU 109 H LEU 109 6.472 -16.453 4.782 910 HA LEU 109 HA LEU 109 9.273 -15.565 4.632 911 1HB LEU 109 2HB LEU 109 9.311 -15.749 7.164 912 2HB LEU 109 1HB LEU 109 8.482 -14.361 6.488 913 HG LEU 109 HG LEU 109 6.380 -16.004 6.751 914 1HD1 LEU 109 1HD1 LEU 109 7.935 -16.715 9.201 915 2HD1 LEU 109 2HD1 LEU 109 8.052 -17.712 7.751 916 3HD1 LEU 109 3HD1 LEU 109 6.490 -17.469 8.530 917 1HD2 LEU 109 1HD2 LEU 109 6.468 -13.780 7.649 918 2HD2 LEU 109 2HD2 LEU 109 7.613 -14.280 8.892 919 3HD2 LEU 109 3HD2 LEU 109 5.956 -14.884 8.922 920 H GLU 110 H GLU 110 10.827 -17.105 5.073 921 HA GLU 110 HA GLU 110 10.001 -19.840 4.776 922 1HB GLU 110 2HB GLU 110 12.425 -18.333 4.435 923 2HB GLU 110 1HB GLU 110 12.751 -19.738 5.441 924 1HG GLU 110 2HG GLU 110 11.800 -21.194 3.735 925 2HG GLU 110 1HG GLU 110 11.442 -19.791 2.730 926 H HIS 111 H HIS 111 10.083 -21.482 6.245 927 HA HIS 111 HA HIS 111 10.980 -20.896 8.968 928 1HB HIS 111 2HB HIS 111 8.245 -20.970 8.189 929 2HB HIS 111 1HB HIS 111 8.557 -22.416 9.141 930 HD1 HIS 111 1HD HIS 111 9.726 -18.812 9.586 931 HD2 HIS 111 2HD HIS 111 7.784 -21.851 11.653 932 HE1 HIS 111 1HE HIS 111 9.289 -17.890 11.887 933 HE2 HIS 111 2HE HIS 111 8.222 -19.789 13.152 934 H HIS 112 H HIS 112 9.216 -23.503 7.285 935 HA HIS 112 HA HIS 112 11.455 -25.317 7.838 936 1HB HIS 112 2HB HIS 112 9.723 -25.594 9.617 937 2HB HIS 112 1HB HIS 112 8.562 -26.030 8.368 938 HD1 HIS 112 1HD HIS 112 8.272 -28.371 9.463 939 HD2 HIS 112 2HD HIS 112 12.117 -27.579 8.098 940 HE1 HIS 112 1HE HIS 112 9.456 -30.589 9.466 941 HE2 HIS 112 2HE HIS 112 11.736 -30.105 8.507 942 H HIS 113 H HIS 113 8.281 -25.036 6.229 943 HA HIS 113 HA HIS 113 7.566 -25.606 4.149 944 1HB HIS 113 2HB HIS 113 10.532 -25.464 3.709 945 2HB HIS 113 1HB HIS 113 9.494 -26.073 2.429 946 HD1 HIS 113 1HD HIS 113 7.137 -24.017 2.911 947 HD2 HIS 113 2HD HIS 113 11.165 -23.070 2.525 948 HE1 HIS 113 1HE HIS 113 7.194 -21.626 2.138 949 HE2 HIS 113 2HE HIS 113 9.639 -21.110 1.806 950 H HIS 114 H HIS 114 7.748 -27.444 2.439 951 HA HIS 114 HA HIS 114 7.565 -29.916 3.877 952 1HB HIS 114 2HB HIS 114 6.572 -28.893 1.429 953 2HB HIS 114 1HB HIS 114 7.518 -30.327 1.038 954 HD1 HIS 114 1HD HIS 114 6.704 -32.593 2.073 955 HD2 HIS 114 2HD HIS 114 4.169 -29.365 2.723 956 HE1 HIS 114 1HE HIS 114 4.525 -33.592 2.834 957 HE2 HIS 114 2HE HIS 114 2.992 -31.622 3.182 958 H HIS 115 H HIS 115 9.916 -28.423 1.738 959 HA HIS 115 HA HIS 115 11.452 -30.780 1.261 960 1HB HIS 115 2HB HIS 115 11.793 -27.861 0.770 961 2HB HIS 115 1HB HIS 115 13.249 -28.848 0.794 962 HD1 HIS 115 1HD HIS 115 11.744 -27.388 -1.716 963 HD2 HIS 115 2HD HIS 115 11.927 -31.445 -0.834 964 HE1 HIS 115 1HE HIS 115 11.353 -28.570 -3.903 965 HE2 HIS 115 2HE HIS 115 11.556 -31.022 -3.358 966 H HIS 116 H HIS 116 13.882 -30.732 1.891 967 HA HIS 116 HA HIS 116 13.987 -30.442 4.803 968 1HB HIS 116 2HB HIS 116 16.119 -31.842 4.535 969 2HB HIS 116 1HB HIS 116 14.584 -32.643 4.225 970 HD1 HIS 116 1HD HIS 116 16.977 -30.652 2.016 971 HD2 HIS 116 2HD HIS 116 14.896 -34.248 2.080 972 HE1 HIS 116 1HE HIS 116 17.521 -31.783 -0.163 973 HE2 HIS 116 2HE HIS 116 16.176 -33.912 -0.144 Start of MODEL 11 1 1H MET 0 1HT MET 0 -13.058 -25.389 -11.647 2 2H MET 0 2HT MET 0 -13.596 -24.127 -12.676 3 3H MET 0 3HT MET 0 -13.927 -24.068 -10.992 4 HA MET 0 HA MET 0 -11.223 -24.058 -12.156 5 1HB MET 0 2HB MET 0 -13.051 -21.804 -11.301 6 2HB MET 0 1HB MET 0 -11.314 -21.608 -11.488 7 1HG MET 0 2HG MET 0 -11.963 -22.713 -13.872 8 2HG MET 0 1HG MET 0 -13.425 -21.796 -13.513 9 1HE MET 0 1HE MET 0 -10.709 -21.009 -15.976 10 2HE MET 0 2HE MET 0 -10.094 -22.050 -14.692 11 3HE MET 0 3HE MET 0 -9.423 -20.435 -14.914 12 H GLU 1 H GLU 1 -9.664 -23.185 -10.546 13 HA GLU 1 HA GLU 1 -10.394 -24.076 -7.835 14 1HB GLU 1 2HB GLU 1 -7.858 -24.278 -7.548 15 2HB GLU 1 1HB GLU 1 -8.656 -25.476 -8.557 16 1HG GLU 1 2HG GLU 1 -7.799 -24.569 -10.524 17 2HG GLU 1 1HG GLU 1 -7.414 -23.029 -9.754 18 H GLU 2 H GLU 2 -11.090 -21.502 -8.640 19 HA GLU 2 HA GLU 2 -9.090 -19.743 -7.424 20 1HB GLU 2 2HB GLU 2 -11.670 -18.947 -8.777 21 2HB GLU 2 1HB GLU 2 -10.306 -17.911 -8.384 22 1HG GLU 2 2HG GLU 2 -8.976 -19.488 -9.952 23 2HG GLU 2 1HG GLU 2 -10.569 -19.943 -10.554 24 H VAL 3 H VAL 3 -10.623 -21.604 -5.799 25 HA VAL 3 HA VAL 3 -12.317 -19.765 -4.252 26 HB VAL 3 HB VAL 3 -13.124 -21.880 -3.106 27 1HG1 VAL 3 1HG1 VAL 3 -13.671 -21.243 -5.984 28 2HG1 VAL 3 2HG1 VAL 3 -14.629 -20.850 -4.556 29 3HG1 VAL 3 3HG1 VAL 3 -14.555 -22.514 -5.138 30 1HG2 VAL 3 1HG2 VAL 3 -12.817 -23.991 -4.191 31 2HG2 VAL 3 2HG2 VAL 3 -11.223 -23.297 -3.901 32 3HG2 VAL 3 3HG2 VAL 3 -11.928 -23.243 -5.516 33 H GLU 4 H GLU 4 -9.309 -21.423 -4.182 34 HA GLU 4 HA GLU 4 -9.142 -21.329 -1.272 35 1HB GLU 4 2HB GLU 4 -7.532 -22.600 -3.440 36 2HB GLU 4 1HB GLU 4 -6.732 -22.227 -1.919 37 1HG GLU 4 2HG GLU 4 -8.444 -23.539 -0.726 38 2HG GLU 4 1HG GLU 4 -9.163 -23.965 -2.278 39 H GLN 5 H GLN 5 -9.240 -18.849 -2.923 40 HA GLN 5 HA GLN 5 -6.574 -17.734 -2.483 41 1HB GLN 5 2HB GLN 5 -8.993 -16.737 -3.978 42 2HB GLN 5 1HB GLN 5 -7.604 -15.709 -3.652 43 1HG GLN 5 2HG GLN 5 -6.166 -17.158 -4.917 44 2HG GLN 5 1HG GLN 5 -7.468 -18.327 -5.128 45 1HE2 GLN 5 1HE2 GLN 5 -9.490 -17.331 -6.152 46 2HE2 GLN 5 2HE2 GLN 5 -9.215 -16.310 -7.518 47 H THR 6 H THR 6 -9.659 -17.846 -0.997 48 HA THR 6 HA THR 6 -9.907 -15.391 0.239 49 HB THR 6 HB THR 6 -10.573 -17.542 2.075 50 HG1 THR 6 1HG THR 6 -11.811 -17.755 -0.455 51 1HG2 THR 6 1HG2 THR 6 -12.929 -16.612 1.050 52 2HG2 THR 6 2HG2 THR 6 -11.851 -15.229 0.862 53 3HG2 THR 6 3HG2 THR 6 -12.083 -15.958 2.451 54 HA PRO 7 HA PRO 7 -7.157 -17.295 3.931 55 1HB PRO 7 2HB PRO 7 -5.309 -18.763 2.104 56 2HB PRO 7 1HB PRO 7 -5.823 -19.163 3.747 57 1HG PRO 7 2HG PRO 7 -6.839 -20.464 1.664 58 2HG PRO 7 1HG PRO 7 -7.859 -20.023 3.046 59 1HD PRO 7 2HD PRO 7 -7.696 -18.788 0.334 60 2HD PRO 7 1HD PRO 7 -9.105 -19.012 1.391 61 H LEU 8 H LEU 8 -5.720 -16.739 0.712 62 HA LEU 8 HA LEU 8 -3.481 -15.281 1.673 63 1HB LEU 8 2HB LEU 8 -4.632 -15.984 -0.921 64 2HB LEU 8 1HB LEU 8 -3.900 -14.391 -0.914 65 HG LEU 8 HG LEU 8 -1.816 -15.496 0.043 66 1HD1 LEU 8 1HD1 LEU 8 -3.496 -17.891 -0.545 67 2HD1 LEU 8 2HD1 LEU 8 -2.420 -17.575 0.816 68 3HD1 LEU 8 3HD1 LEU 8 -1.749 -17.979 -0.764 69 1HD2 LEU 8 1HD2 LEU 8 -2.885 -15.739 -2.713 70 2HD2 LEU 8 2HD2 LEU 8 -1.410 -16.628 -2.334 71 3HD2 LEU 8 3HD2 LEU 8 -1.466 -14.879 -2.117 72 H GLN 9 H GLN 9 -6.640 -14.307 0.381 73 HA GLN 9 HA GLN 9 -6.246 -11.535 0.376 74 1HB GLN 9 2HB GLN 9 -8.148 -12.727 -0.699 75 2HB GLN 9 1HB GLN 9 -8.825 -13.027 0.894 76 1HG GLN 9 2HG GLN 9 -8.799 -10.484 1.179 77 2HG GLN 9 1HG GLN 9 -8.546 -10.425 -0.566 78 1HE2 GLN 9 1HE2 GLN 9 -10.375 -9.970 -1.559 79 2HE2 GLN 9 2HE2 GLN 9 -11.935 -10.604 -1.167 80 H GLU 10 H GLU 10 -7.173 -13.744 2.963 81 HA GLU 10 HA GLU 10 -8.018 -11.864 4.860 82 1HB GLU 10 2HB GLU 10 -8.354 -14.314 5.051 83 2HB GLU 10 1HB GLU 10 -6.637 -14.505 5.375 84 1HG GLU 10 2HG GLU 10 -6.910 -13.075 7.382 85 2HG GLU 10 1HG GLU 10 -8.647 -13.049 7.078 86 H ALA 11 H ALA 11 -4.792 -13.245 4.258 87 HA ALA 11 HA ALA 11 -3.456 -11.897 6.346 88 1HB ALA 11 1HB ALA 11 -1.463 -12.240 4.586 89 2HB ALA 11 2HB ALA 11 -2.642 -13.362 3.908 90 3HB ALA 11 3HB ALA 11 -2.107 -13.548 5.578 91 H LEU 12 H LEU 12 -4.140 -11.004 2.996 92 HA LEU 12 HA LEU 12 -2.515 -8.740 2.810 93 1HB LEU 12 2HB LEU 12 -4.827 -9.828 1.365 94 2HB LEU 12 1HB LEU 12 -4.669 -8.085 1.260 95 HG LEU 12 HG LEU 12 -2.133 -8.795 0.697 96 1HD1 LEU 12 1HD1 LEU 12 -2.168 -11.075 0.613 97 2HD1 LEU 12 2HD1 LEU 12 -2.569 -10.701 -1.063 98 3HD1 LEU 12 3HD1 LEU 12 -3.845 -11.145 0.070 99 1HD2 LEU 12 1HD2 LEU 12 -3.078 -7.336 -0.782 100 2HD2 LEU 12 2HD2 LEU 12 -4.539 -8.300 -0.975 101 3HD2 LEU 12 3HD2 LEU 12 -3.047 -8.791 -1.774 102 H ASN 13 H ASN 13 -5.907 -9.007 3.908 103 HA ASN 13 HA ASN 13 -6.201 -6.223 4.365 104 1HB ASN 13 2HB ASN 13 -8.302 -6.694 5.341 105 2HB ASN 13 1HB ASN 13 -8.096 -7.873 4.055 106 1HD2 ASN 13 1HD2 ASN 13 -8.793 -9.808 4.583 107 2HD2 ASN 13 2HD2 ASN 13 -8.760 -10.512 6.161 108 H GLN 14 H GLN 14 -4.993 -8.859 6.343 109 HA GLN 14 HA GLN 14 -5.076 -7.541 8.840 110 1HB GLN 14 2HB GLN 14 -4.283 -10.049 7.933 111 2HB GLN 14 1HB GLN 14 -2.793 -9.332 8.531 112 1HG GLN 14 2HG GLN 14 -3.614 -10.415 10.389 113 2HG GLN 14 1HG GLN 14 -4.181 -8.762 10.632 114 1HE2 GLN 14 1HE2 GLN 14 -5.099 -12.018 9.789 115 2HE2 GLN 14 2HE2 GLN 14 -6.799 -11.807 10.004 116 H LEU 15 H LEU 15 -2.491 -7.799 6.394 117 HA LEU 15 HA LEU 15 -0.624 -6.216 7.839 118 1HB LEU 15 2HB LEU 15 -0.842 -7.123 4.991 119 2HB LEU 15 1HB LEU 15 0.350 -5.913 5.426 120 HG LEU 15 HG LEU 15 1.487 -7.426 6.884 121 1HD1 LEU 15 1HD1 LEU 15 0.744 -9.655 7.370 122 2HD1 LEU 15 2HD1 LEU 15 -0.645 -9.474 6.300 123 3HD1 LEU 15 3HD1 LEU 15 -0.548 -8.532 7.787 124 1HD2 LEU 15 1HD2 LEU 15 2.120 -9.210 5.312 125 2HD2 LEU 15 2HD2 LEU 15 2.038 -7.630 4.534 126 3HD2 LEU 15 3HD2 LEU 15 0.733 -8.794 4.305 127 H MET 16 H MET 16 -3.079 -5.488 5.406 128 HA MET 16 HA MET 16 -2.382 -2.769 5.008 129 1HB MET 16 2HB MET 16 -4.901 -4.353 4.551 130 2HB MET 16 1HB MET 16 -4.856 -2.619 4.272 131 1HG MET 16 2HG MET 16 -2.713 -4.205 3.008 132 2HG MET 16 1HG MET 16 -4.344 -4.437 2.382 133 1HE MET 16 1HE MET 16 -1.409 -2.153 3.007 134 2HE MET 16 2HE MET 16 -1.545 -0.964 1.713 135 3HE MET 16 3HE MET 16 -1.285 -2.663 1.323 136 H ARG 17 H ARG 17 -4.569 -4.401 7.275 137 HA ARG 17 HA ARG 17 -5.786 -2.121 8.363 138 1HB ARG 17 2HB ARG 17 -5.360 -4.925 9.278 139 2HB ARG 17 1HB ARG 17 -5.833 -3.739 10.487 140 1HG ARG 17 2HG ARG 17 -7.509 -3.422 8.209 141 2HG ARG 17 1HG ARG 17 -7.468 -5.130 8.654 142 1HD ARG 17 2HD ARG 17 -9.239 -4.213 9.894 143 2HD ARG 17 1HD ARG 17 -7.904 -4.364 11.036 144 HE ARG 17 HE ARG 17 -7.660 -1.827 10.100 145 1HH1 ARG 17 1HH1 ARG 17 -10.299 -3.615 11.554 146 2HH1 ARG 17 2HH1 ARG 17 -11.028 -2.209 12.253 147 1HH2 ARG 17 1HH2 ARG 17 -8.628 0.023 11.034 148 2HH2 ARG 17 2HH2 ARG 17 -10.082 -0.149 11.958 149 H GLN 18 H GLN 18 -2.841 -3.861 9.338 150 HA GLN 18 HA GLN 18 -2.242 -2.151 11.532 151 1HB GLN 18 2HB GLN 18 -0.507 -4.036 9.926 152 2HB GLN 18 1HB GLN 18 0.049 -3.183 11.360 153 1HG GLN 18 2HG GLN 18 -1.862 -4.283 12.595 154 2HG GLN 18 1HG GLN 18 -2.079 -5.294 11.169 155 1HE2 GLN 18 1HE2 GLN 18 -0.010 -6.383 10.413 156 2HE2 GLN 18 2HE2 GLN 18 0.987 -7.066 11.646 157 H LEU 19 H LEU 19 -1.328 -2.203 8.126 158 HA LEU 19 HA LEU 19 0.620 -0.174 8.193 159 1HB LEU 19 2HB LEU 19 0.404 -1.652 6.297 160 2HB LEU 19 1HB LEU 19 -1.227 -1.090 5.987 161 HG LEU 19 HG LEU 19 0.708 1.083 5.935 162 1HD1 LEU 19 1HD1 LEU 19 2.368 0.049 4.871 163 2HD1 LEU 19 2HD1 LEU 19 1.279 -0.029 3.486 164 3HD1 LEU 19 3HD1 LEU 19 1.401 -1.398 4.588 165 1HD2 LEU 19 1HD2 LEU 19 -0.389 1.381 3.673 166 2HD2 LEU 19 2HD2 LEU 19 -1.458 1.452 5.074 167 3HD2 LEU 19 3HD2 LEU 19 -1.397 -0.007 4.086 168 H GLN 20 H GLN 20 -2.885 -0.046 7.595 169 HA GLN 20 HA GLN 20 -3.003 2.754 7.158 170 1HB GLN 20 2HB GLN 20 -5.163 0.821 8.028 171 2HB GLN 20 1HB GLN 20 -5.452 2.481 7.523 172 1HG GLN 20 2HG GLN 20 -3.935 0.817 5.625 173 2HG GLN 20 1HG GLN 20 -5.613 0.348 5.886 174 1HE2 GLN 20 1HE2 GLN 20 -6.739 1.073 4.207 175 2HE2 GLN 20 2HE2 GLN 20 -6.662 2.670 3.556 176 H ARG 21 H ARG 21 -3.262 0.745 10.034 177 HA ARG 21 HA ARG 21 -4.160 2.791 11.791 178 1HB ARG 21 2HB ARG 21 -4.106 0.140 11.988 179 2HB ARG 21 1HB ARG 21 -2.603 0.480 12.832 180 1HG ARG 21 2HG ARG 21 -4.315 2.250 14.005 181 2HG ARG 21 1HG ARG 21 -5.372 0.876 13.678 182 1HD ARG 21 2HD ARG 21 -2.843 0.937 15.307 183 2HD ARG 21 1HD ARG 21 -4.473 0.532 15.841 184 HE ARG 21 HE ARG 21 -3.959 -1.357 13.979 185 1HH1 ARG 21 1HH1 ARG 21 -2.221 -0.266 16.815 186 2HH1 ARG 21 2HH1 ARG 21 -1.459 -1.795 17.089 187 1HH2 ARG 21 1HH2 ARG 21 -2.948 -3.375 14.346 188 2HH2 ARG 21 2HH2 ARG 21 -1.869 -3.559 15.689 189 H LYS 22 H LYS 22 -1.071 2.126 10.453 190 HA LYS 22 HA LYS 22 0.779 2.714 12.348 191 1HB LYS 22 2HB LYS 22 0.797 2.553 9.604 192 2HB LYS 22 1HB LYS 22 1.264 4.223 9.877 193 1HG LYS 22 2HG LYS 22 2.632 1.768 10.951 194 2HG LYS 22 1HG LYS 22 3.222 2.852 9.693 195 1HD LYS 22 2HD LYS 22 4.230 4.062 11.260 196 2HD LYS 22 1HD LYS 22 2.647 4.465 11.929 197 1HE LYS 22 2HE LYS 22 2.833 2.164 13.107 198 2HE LYS 22 1HE LYS 22 4.552 2.301 12.744 199 1HZ LYS 22 1HZ LYS 22 4.562 3.333 14.731 200 2HZ LYS 22 2HZ LYS 22 2.935 3.785 14.651 201 3HZ LYS 22 3HZ LYS 22 4.103 4.685 13.821 202 H ASP 23 H ASP 23 -0.360 5.344 10.197 203 HA ASP 23 HA ASP 23 -1.286 7.148 12.009 204 1HB ASP 23 2HB ASP 23 1.447 6.787 12.523 205 2HB ASP 23 1HB ASP 23 1.318 8.340 11.709 206 HA PRO 24 HA PRO 24 0.365 9.748 8.258 207 1HB PRO 24 2HB PRO 24 1.859 8.337 6.447 208 2HB PRO 24 1HB PRO 24 2.543 9.292 7.767 209 1HG PRO 24 2HG PRO 24 2.045 6.347 7.624 210 2HG PRO 24 1HG PRO 24 3.453 7.211 8.264 211 1HD PRO 24 2HD PRO 24 1.566 6.183 9.859 212 2HD PRO 24 1HD PRO 24 2.379 7.707 10.259 213 H SER 25 H SER 25 -0.683 6.437 8.024 214 HA SER 25 HA SER 25 -1.650 6.409 5.393 215 1HB SER 25 2HB SER 25 -2.488 4.884 7.855 216 2HB SER 25 1HB SER 25 -3.210 4.601 6.270 217 HG SER 25 HG SER 25 -1.509 3.504 5.745 218 H ALA 26 H ALA 26 -3.014 7.721 8.347 219 HA ALA 26 HA ALA 26 -5.692 7.952 7.688 220 1HB ALA 26 1HB ALA 26 -5.594 10.077 9.114 221 2HB ALA 26 2HB ALA 26 -3.884 9.699 9.323 222 3HB ALA 26 3HB ALA 26 -5.113 8.557 9.867 223 H PHE 27 H PHE 27 -2.979 9.800 6.467 224 HA PHE 27 HA PHE 27 -4.650 11.825 5.258 225 1HB PHE 27 2HB PHE 27 -1.699 11.301 4.853 226 2HB PHE 27 1HB PHE 27 -2.580 12.750 4.380 227 HD1 PHE 27 2HD PHE 27 -1.239 10.840 7.216 228 HD2 PHE 27 1HD PHE 27 -3.159 14.433 5.980 229 HE1 PHE 27 2HE PHE 27 -0.772 11.841 9.414 230 HE2 PHE 27 1HE PHE 27 -2.695 15.439 8.177 231 HZ PHE 27 HZ PHE 27 -1.501 14.143 9.897 232 H PHE 28 H PHE 28 -3.049 8.854 4.262 233 HA PHE 28 HA PHE 28 -4.055 9.279 1.524 234 1HB PHE 28 2HB PHE 28 -1.943 7.273 2.305 235 2HB PHE 28 1HB PHE 28 -2.321 7.884 0.699 236 HD1 PHE 28 1HD PHE 28 -2.284 10.703 0.867 237 HD2 PHE 28 2HD PHE 28 0.155 7.913 2.961 238 HE1 PHE 28 1HE PHE 28 -0.543 12.420 1.118 239 HE2 PHE 28 2HE PHE 28 1.901 9.627 3.216 240 HZ PHE 28 HZ PHE 28 1.554 11.884 2.294 241 H SER 29 H SER 29 -5.640 8.308 3.787 242 HA SER 29 HA SER 29 -6.073 5.497 3.090 243 1HB SER 29 2HB SER 29 -5.861 6.034 5.484 244 2HB SER 29 1HB SER 29 -7.228 7.138 5.362 245 HG SER 29 HG SER 29 -7.182 4.335 5.273 246 H PHE 30 H PHE 30 -6.856 7.809 1.374 247 HA PHE 30 HA PHE 30 -9.575 6.951 0.855 248 1HB PHE 30 2HB PHE 30 -8.991 9.441 2.171 249 2HB PHE 30 1HB PHE 30 -9.657 9.769 0.576 250 HD1 PHE 30 1HD PHE 30 -10.293 7.810 3.668 251 HD2 PHE 30 2HD PHE 30 -11.948 9.688 0.228 252 HE1 PHE 30 1HE PHE 30 -12.559 7.392 4.534 253 HE2 PHE 30 2HE PHE 30 -14.215 9.274 1.087 254 HZ PHE 30 HZ PHE 30 -14.524 8.126 3.243 255 HA PRO 31 HA PRO 31 -8.156 7.304 -3.321 256 1HB PRO 31 2HB PRO 31 -10.518 7.841 -4.603 257 2HB PRO 31 1HB PRO 31 -10.052 6.235 -4.034 258 1HG PRO 31 2HG PRO 31 -11.851 8.252 -2.750 259 2HG PRO 31 1HG PRO 31 -12.060 6.496 -2.895 260 1HD PRO 31 2HD PRO 31 -11.208 7.637 -0.614 261 2HD PRO 31 1HD PRO 31 -10.613 6.052 -1.145 262 H VAL 32 H VAL 32 -6.951 9.013 -3.898 263 HA VAL 32 HA VAL 32 -7.515 11.674 -3.334 264 HB VAL 32 HB VAL 32 -5.867 12.192 -5.245 265 1HG1 VAL 32 1HG1 VAL 32 -5.150 10.595 -2.801 266 2HG1 VAL 32 2HG1 VAL 32 -5.194 12.350 -2.980 267 3HG1 VAL 32 3HG1 VAL 32 -3.962 11.407 -3.819 268 1HG2 VAL 32 1HG2 VAL 32 -4.723 9.555 -5.086 269 2HG2 VAL 32 2HG2 VAL 32 -5.083 10.545 -6.499 270 3HG2 VAL 32 3HG2 VAL 32 -6.333 9.516 -5.800 271 H THR 33 H THR 33 -8.152 13.434 -4.584 272 HA THR 33 HA THR 33 -9.412 12.933 -7.160 273 HB THR 33 HB THR 33 -11.091 14.547 -5.349 274 HG1 THR 33 1HG THR 33 -11.893 12.810 -4.218 275 1HG2 THR 33 1HG2 THR 33 -12.480 14.138 -7.018 276 2HG2 THR 33 2HG2 THR 33 -12.595 12.483 -6.418 277 3HG2 THR 33 3HG2 THR 33 -11.428 12.884 -7.678 278 H ASP 34 H ASP 34 -10.698 15.401 -7.436 279 HA ASP 34 HA ASP 34 -8.469 17.098 -7.966 280 1HB ASP 34 2HB ASP 34 -11.008 16.824 -8.996 281 2HB ASP 34 1HB ASP 34 -11.115 18.342 -8.115 282 H PHE 35 H PHE 35 -10.120 16.553 -5.118 283 HA PHE 35 HA PHE 35 -9.542 19.269 -4.135 284 1HB PHE 35 2HB PHE 35 -11.907 18.958 -4.027 285 2HB PHE 35 1HB PHE 35 -11.734 17.335 -3.375 286 HD1 PHE 35 1HD PHE 35 -10.916 17.037 -1.036 287 HD2 PHE 35 2HD PHE 35 -11.967 20.843 -2.620 288 HE1 PHE 35 1HE PHE 35 -11.110 17.932 1.251 289 HE2 PHE 35 2HE PHE 35 -12.160 21.747 -0.340 290 HZ PHE 35 HZ PHE 35 -11.731 20.291 1.600 291 H ILE 36 H ILE 36 -9.651 15.820 -3.327 292 HA ILE 36 HA ILE 36 -8.328 16.001 -0.846 293 HB ILE 36 HB ILE 36 -8.793 13.762 -2.795 294 1HG1 ILE 36 2HG1 ILE 36 -9.852 12.980 -0.439 295 2HG1 ILE 36 1HG1 ILE 36 -9.953 14.727 -0.245 296 1HG2 ILE 36 1HG2 ILE 36 -6.737 13.074 -1.976 297 2HG2 ILE 36 2HG2 ILE 36 -7.889 12.276 -0.906 298 3HG2 ILE 36 3HG2 ILE 36 -7.046 13.728 -0.369 299 1HD1 ILE 36 1HD1 ILE 36 -11.867 14.614 -1.352 300 2HD1 ILE 36 2HD1 ILE 36 -11.569 12.945 -1.837 301 3HD1 ILE 36 3HD1 ILE 36 -10.919 14.272 -2.799 302 H ALA 37 H ALA 37 -7.178 15.560 -4.160 303 HA ALA 37 HA ALA 37 -4.400 15.754 -3.193 304 1HB ALA 37 1HB ALA 37 -5.623 14.332 -5.522 305 2HB ALA 37 2HB ALA 37 -4.478 13.738 -4.321 306 3HB ALA 37 3HB ALA 37 -3.937 14.841 -5.584 307 HA PRO 38 HA PRO 38 -4.088 19.592 -5.352 308 1HB PRO 38 2HB PRO 38 -1.265 19.360 -5.728 309 2HB PRO 38 1HB PRO 38 -2.116 20.270 -4.481 310 1HG PRO 38 2HG PRO 38 -0.576 18.013 -4.039 311 2HG PRO 38 1HG PRO 38 -1.811 18.635 -2.936 312 1HD PRO 38 2HD PRO 38 -1.954 16.366 -4.861 313 2HD PRO 38 1HD PRO 38 -2.719 16.553 -3.272 314 H GLY 39 H GLY 39 -3.719 16.794 -6.859 315 1HA GLY 39 2HA GLY 39 -4.374 17.153 -9.332 316 2HA GLY 39 1HA GLY 39 -2.785 17.901 -9.410 317 H TYR 40 H TYR 40 -3.717 15.038 -7.557 318 HA TYR 40 HA TYR 40 -1.492 13.523 -8.229 319 1HB TYR 40 2HB TYR 40 -4.123 12.975 -7.012 320 2HB TYR 40 1HB TYR 40 -3.345 11.582 -7.755 321 HD1 TYR 40 1HD TYR 40 -2.009 14.482 -5.813 322 HD2 TYR 40 2HD TYR 40 -2.406 10.253 -6.094 323 HE1 TYR 40 1HE TYR 40 -0.606 14.223 -3.816 324 HE2 TYR 40 2HE TYR 40 -1.003 9.986 -4.099 325 HH TYR 40 HH TYR 40 -0.323 12.437 -1.985 326 H SER 41 H SER 41 -4.744 13.413 -9.688 327 HA SER 41 HA SER 41 -4.098 11.453 -11.634 328 1HB SER 41 2HB SER 41 -6.427 12.542 -10.776 329 2HB SER 41 1HB SER 41 -6.232 13.389 -12.310 330 HG SER 41 HG SER 41 -7.367 11.291 -12.345 331 H MET 42 H MET 42 -3.694 14.924 -11.562 332 HA MET 42 HA MET 42 -3.361 15.268 -14.377 333 1HB MET 42 2HB MET 42 -3.796 16.954 -12.268 334 2HB MET 42 1HB MET 42 -2.104 17.264 -12.627 335 1HG MET 42 2HG MET 42 -3.317 18.832 -13.873 336 2HG MET 42 1HG MET 42 -2.803 17.603 -15.027 337 1HE MET 42 1HE MET 42 -6.284 19.508 -13.898 338 2HE MET 42 2HE MET 42 -5.374 18.716 -12.612 339 3HE MET 42 3HE MET 42 -6.914 18.043 -13.146 340 H ILE 43 H ILE 43 -1.227 14.270 -11.832 341 HA ILE 43 HA ILE 43 1.103 14.630 -13.600 342 HB ILE 43 HB ILE 43 1.241 15.797 -11.422 343 1HG1 ILE 43 2HG1 ILE 43 3.446 14.745 -10.698 344 2HG1 ILE 43 1HG1 ILE 43 3.160 13.521 -11.929 345 1HG2 ILE 43 1HG2 ILE 43 1.804 13.847 -9.567 346 2HG2 ILE 43 2HG2 ILE 43 0.413 13.191 -10.423 347 3HG2 ILE 43 3HG2 ILE 43 0.311 14.778 -9.671 348 1HD1 ILE 43 1HD1 ILE 43 4.611 15.658 -12.408 349 2HD1 ILE 43 2HD1 ILE 43 3.033 16.372 -12.736 350 3HD1 ILE 43 3HD1 ILE 43 3.567 14.959 -13.645 351 H ILE 44 H ILE 44 -0.736 12.363 -11.686 352 HA ILE 44 HA ILE 44 0.736 10.167 -12.904 353 HB ILE 44 HB ILE 44 0.931 10.856 -10.179 354 1HG1 ILE 44 2HG1 ILE 44 1.962 8.301 -10.460 355 2HG1 ILE 44 1HG1 ILE 44 2.003 8.947 -12.092 356 1HG2 ILE 44 1HG2 ILE 44 -0.606 8.289 -10.536 357 2HG2 ILE 44 2HG2 ILE 44 -1.164 9.742 -9.707 358 3HG2 ILE 44 3HG2 ILE 44 0.178 8.814 -9.047 359 1HD1 ILE 44 1HD1 ILE 44 3.120 10.403 -9.722 360 2HD1 ILE 44 2HD1 ILE 44 3.358 10.759 -11.434 361 3HD1 ILE 44 3HD1 ILE 44 4.066 9.305 -10.728 362 H LYS 45 H LYS 45 -0.623 9.151 -14.079 363 HA LYS 45 HA LYS 45 -3.342 9.311 -14.201 364 1HB LYS 45 2HB LYS 45 -1.322 7.441 -15.188 365 2HB LYS 45 1HB LYS 45 -2.911 6.712 -14.997 366 1HG LYS 45 2HG LYS 45 -3.488 7.575 -16.950 367 2HG LYS 45 1HG LYS 45 -3.352 9.184 -16.239 368 1HD LYS 45 2HD LYS 45 -0.816 8.904 -16.749 369 2HD LYS 45 1HD LYS 45 -1.362 7.658 -17.872 370 1HE LYS 45 2HE LYS 45 -2.770 10.258 -17.983 371 2HE LYS 45 1HE LYS 45 -1.101 10.243 -18.547 372 1HZ LYS 45 1HZ LYS 45 -2.822 8.108 -19.533 373 2HZ LYS 45 2HZ LYS 45 -1.624 8.989 -20.334 374 3HZ LYS 45 3HZ LYS 45 -3.155 9.665 -20.107 375 H HIS 46 H HIS 46 -1.690 6.472 -12.740 376 HA HIS 46 HA HIS 46 -4.062 6.152 -11.019 377 1HB HIS 46 2HB HIS 46 -2.887 4.330 -12.853 378 2HB HIS 46 1HB HIS 46 -2.621 3.696 -11.232 379 HD1 HIS 46 1HD HIS 46 -4.961 3.449 -13.845 380 HD2 HIS 46 2HD HIS 46 -5.298 3.889 -9.726 381 HE1 HIS 46 1HE HIS 46 -7.287 2.680 -13.274 382 HE2 HIS 46 2HE HIS 46 -7.453 2.914 -10.771 383 HA PRO 47 HA PRO 47 -0.737 6.750 -7.949 384 1HB PRO 47 2HB PRO 47 -2.303 7.914 -6.084 385 2HB PRO 47 1HB PRO 47 -1.625 8.808 -7.448 386 1HG PRO 47 2HG PRO 47 -4.389 7.787 -7.036 387 2HG PRO 47 1HG PRO 47 -3.843 9.269 -7.835 388 1HD PRO 47 2HD PRO 47 -4.633 6.951 -9.136 389 2HD PRO 47 1HD PRO 47 -3.637 8.235 -9.845 390 H MET 48 H MET 48 -3.964 5.430 -7.535 391 HA MET 48 HA MET 48 -4.855 3.804 -6.231 392 1HB MET 48 2HB MET 48 -2.077 2.773 -6.740 393 2HB MET 48 1HB MET 48 -3.268 1.827 -5.860 394 1HG MET 48 2HG MET 48 -3.435 2.790 -8.702 395 2HG MET 48 1HG MET 48 -3.284 1.128 -8.137 396 1HE MET 48 1HE MET 48 -5.345 1.726 -5.518 397 2HE MET 48 2HE MET 48 -5.276 0.162 -6.325 398 3HE MET 48 3HE MET 48 -6.819 0.989 -6.143 399 H ASP 49 H ASP 49 -5.170 5.171 -4.405 400 HA ASP 49 HA ASP 49 -3.238 5.374 -2.311 401 1HB ASP 49 2HB ASP 49 -6.229 5.822 -2.147 402 2HB ASP 49 1HB ASP 49 -5.018 6.404 -1.009 403 H PHE 50 H PHE 50 -3.954 4.702 0.003 404 HA PHE 50 HA PHE 50 -3.940 1.884 0.112 405 1HB PHE 50 2HB PHE 50 -4.700 3.693 2.407 406 2HB PHE 50 1HB PHE 50 -3.976 2.090 2.490 407 HD1 PHE 50 2HD PHE 50 -1.925 2.592 0.248 408 HD2 PHE 50 1HD PHE 50 -3.053 4.813 3.700 409 HE1 PHE 50 2HE PHE 50 0.306 3.623 0.308 410 HE2 PHE 50 1HE PHE 50 -0.824 5.846 3.764 411 HZ PHE 50 HZ PHE 50 0.860 5.254 2.068 412 H SER 51 H SER 51 -6.565 4.215 0.272 413 HA SER 51 HA SER 51 -8.528 2.375 1.233 414 1HB SER 51 2HB SER 51 -8.445 5.115 0.892 415 2HB SER 51 1HB SER 51 -9.563 4.599 -0.369 416 HG SER 51 HG SER 51 -10.948 3.904 1.109 417 H THR 52 H THR 52 -7.556 3.526 -1.980 418 HA THR 52 HA THR 52 -9.602 2.211 -3.420 419 HB THR 52 HB THR 52 -6.883 2.752 -4.582 420 HG1 THR 52 1HG THR 52 -7.114 4.695 -3.779 421 1HG2 THR 52 1HG2 THR 52 -9.382 3.605 -5.898 422 2HG2 THR 52 2HG2 THR 52 -9.072 1.870 -5.815 423 3HG2 THR 52 3HG2 THR 52 -7.899 2.939 -6.584 424 H MET 53 H MET 53 -6.231 1.284 -2.713 425 HA MET 53 HA MET 53 -6.296 -1.178 -4.066 426 1HB MET 53 2HB MET 53 -4.290 -1.758 -2.860 427 2HB MET 53 1HB MET 53 -4.208 -0.071 -3.338 428 1HG MET 53 2HG MET 53 -4.864 0.581 -1.058 429 2HG MET 53 1HG MET 53 -4.863 -1.120 -0.593 430 1HE MET 53 1HE MET 53 -1.339 -2.267 -0.760 431 2HE MET 53 2HE MET 53 -1.703 -1.838 -2.431 432 3HE MET 53 3HE MET 53 -2.942 -2.589 -1.426 433 H LYS 54 H LYS 54 -7.126 -0.335 -0.714 434 HA LYS 54 HA LYS 54 -7.477 -2.933 0.276 435 1HB LYS 54 2HB LYS 54 -7.995 -0.277 1.181 436 2HB LYS 54 1HB LYS 54 -9.449 -1.228 1.442 437 1HG LYS 54 2HG LYS 54 -6.910 -2.480 2.273 438 2HG LYS 54 1HG LYS 54 -7.441 -1.077 3.203 439 1HD LYS 54 2HD LYS 54 -9.711 -2.251 3.335 440 2HD LYS 54 1HD LYS 54 -8.861 -3.694 2.781 441 1HE LYS 54 2HE LYS 54 -8.702 -3.977 5.048 442 2HE LYS 54 1HE LYS 54 -7.217 -3.078 4.742 443 1HZ LYS 54 1HZ LYS 54 -8.342 -1.048 5.401 444 2HZ LYS 54 2HZ LYS 54 -8.434 -2.195 6.642 445 3HZ LYS 54 3HZ LYS 54 -9.782 -1.894 5.667 446 H GLU 55 H GLU 55 -9.778 -0.765 -1.359 447 HA GLU 55 HA GLU 55 -12.029 -2.459 -1.160 448 1HB GLU 55 2HB GLU 55 -11.509 0.076 -2.193 449 2HB GLU 55 1HB GLU 55 -11.984 -0.866 -3.599 450 1HG GLU 55 2HG GLU 55 -13.820 -1.525 -1.594 451 2HG GLU 55 1HG GLU 55 -13.600 0.221 -1.493 452 H LYS 56 H LYS 56 -9.435 -2.189 -3.532 453 HA LYS 56 HA LYS 56 -10.522 -3.983 -5.438 454 1HB LYS 56 2HB LYS 56 -7.640 -3.240 -4.933 455 2HB LYS 56 1HB LYS 56 -8.245 -4.052 -6.369 456 1HG LYS 56 2HG LYS 56 -9.390 -1.408 -5.606 457 2HG LYS 56 1HG LYS 56 -7.801 -1.477 -6.370 458 1HD LYS 56 2HD LYS 56 -8.736 -2.678 -8.262 459 2HD LYS 56 1HD LYS 56 -10.321 -2.706 -7.485 460 1HE LYS 56 2HE LYS 56 -10.694 -0.854 -8.704 461 2HE LYS 56 1HE LYS 56 -9.771 -0.053 -7.433 462 1HZ LYS 56 1HZ LYS 56 -7.811 -0.152 -8.747 463 2HZ LYS 56 2HZ LYS 56 -9.035 0.466 -9.737 464 3HZ LYS 56 3HZ LYS 56 -8.545 -1.145 -9.906 465 H ILE 57 H ILE 57 -8.345 -4.408 -2.667 466 HA ILE 57 HA ILE 57 -7.622 -7.077 -3.124 467 HB ILE 57 HB ILE 57 -7.987 -5.688 -0.460 468 1HG1 ILE 57 2HG1 ILE 57 -5.305 -6.231 -1.631 469 2HG1 ILE 57 1HG1 ILE 57 -6.243 -4.933 -2.358 470 1HG2 ILE 57 1HG2 ILE 57 -6.152 -7.513 0.088 471 2HG2 ILE 57 2HG2 ILE 57 -6.964 -8.372 -1.220 472 3HG2 ILE 57 3HG2 ILE 57 -7.876 -7.869 0.203 473 1HD1 ILE 57 1HD1 ILE 57 -4.633 -4.804 -0.090 474 2HD1 ILE 57 2HD1 ILE 57 -6.290 -4.714 0.505 475 3HD1 ILE 57 3HD1 ILE 57 -5.722 -3.561 -0.703 476 H LYS 58 H LYS 58 -10.441 -5.678 -1.505 477 HA LYS 58 HA LYS 58 -11.537 -8.031 -0.454 478 1HB LYS 58 2HB LYS 58 -13.105 -5.665 -1.490 479 2HB LYS 58 1HB LYS 58 -13.615 -6.825 -0.271 480 1HG LYS 58 2HG LYS 58 -11.254 -5.802 0.745 481 2HG LYS 58 1HG LYS 58 -12.038 -4.408 0.000 482 1HD LYS 58 2HD LYS 58 -14.141 -5.129 1.245 483 2HD LYS 58 1HD LYS 58 -13.094 -6.212 2.163 484 1HE LYS 58 2HE LYS 58 -11.899 -4.435 3.112 485 2HE LYS 58 1HE LYS 58 -12.477 -3.286 1.907 486 1HZ LYS 58 1HZ LYS 58 -13.482 -3.350 4.310 487 2HZ LYS 58 2HZ LYS 58 -14.450 -4.571 3.654 488 3HZ LYS 58 3HZ LYS 58 -14.461 -3.025 2.968 489 H ASN 59 H ASN 59 -11.471 -6.838 -3.733 490 HA ASN 59 HA ASN 59 -13.466 -8.804 -4.592 491 1HB ASN 59 2HB ASN 59 -12.269 -6.347 -5.803 492 2HB ASN 59 1HB ASN 59 -12.895 -7.594 -6.872 493 1HD2 ASN 59 1HD2 ASN 59 -13.661 -5.058 -4.700 494 2HD2 ASN 59 2HD2 ASN 59 -15.379 -5.133 -4.868 495 H ASN 60 H ASN 60 -10.609 -9.400 -3.713 496 HA ASN 60 HA ASN 60 -8.921 -10.803 -4.271 497 1HB ASN 60 2HB ASN 60 -11.235 -11.863 -5.513 498 2HB ASN 60 1HB ASN 60 -9.920 -12.014 -6.675 499 1HD2 ASN 60 1HD2 ASN 60 -10.281 -12.336 -3.154 500 2HD2 ASN 60 2HD2 ASN 60 -9.484 -13.866 -3.044 501 H ASP 61 H ASP 61 -9.239 -8.106 -5.591 502 HA ASP 61 HA ASP 61 -8.039 -8.310 -8.178 503 1HB ASP 61 2HB ASP 61 -9.402 -6.347 -7.084 504 2HB ASP 61 1HB ASP 61 -7.828 -5.858 -6.462 505 H TYR 62 H TYR 62 -6.901 -7.797 -4.892 506 HA TYR 62 HA TYR 62 -4.135 -8.126 -5.843 507 1HB TYR 62 2HB TYR 62 -5.126 -6.484 -3.500 508 2HB TYR 62 1HB TYR 62 -3.431 -6.768 -3.878 509 HD1 TYR 62 1HD TYR 62 -2.704 -6.084 -6.315 510 HD2 TYR 62 2HD TYR 62 -6.150 -4.583 -4.324 511 HE1 TYR 62 1HE TYR 62 -2.737 -4.157 -7.839 512 HE2 TYR 62 2HE TYR 62 -6.185 -2.646 -5.840 513 HH TYR 62 HH TYR 62 -4.470 -1.392 -7.270 514 H GLN 63 H GLN 63 -3.517 -10.108 -5.372 515 HA GLN 63 HA GLN 63 -3.814 -11.096 -2.657 516 1HB GLN 63 2HB GLN 63 -4.764 -13.182 -3.265 517 2HB GLN 63 1HB GLN 63 -5.730 -11.962 -4.080 518 1HG GLN 63 2HG GLN 63 -5.433 -13.092 -5.955 519 2HG GLN 63 1HG GLN 63 -3.737 -12.609 -5.905 520 1HE2 GLN 63 1HE2 GLN 63 -2.623 -14.350 -6.505 521 2HE2 GLN 63 2HE2 GLN 63 -2.789 -15.930 -5.827 522 H SER 64 H SER 64 -1.721 -10.101 -4.612 523 HA SER 64 HA SER 64 0.156 -12.324 -4.248 524 1HB SER 64 2HB SER 64 0.303 -10.455 -6.614 525 2HB SER 64 1HB SER 64 1.113 -12.005 -6.388 526 HG SER 64 HG SER 64 -0.839 -13.046 -6.673 527 H ILE 65 H ILE 65 2.003 -11.766 -3.307 528 HA ILE 65 HA ILE 65 2.355 -9.386 -1.957 529 HB ILE 65 HB ILE 65 4.793 -10.060 -1.816 530 1HG1 ILE 65 2HG1 ILE 65 4.590 -12.759 -2.531 531 2HG1 ILE 65 1HG1 ILE 65 3.923 -11.877 -3.901 532 1HG2 ILE 65 1HG2 ILE 65 4.316 -11.430 -0.077 533 2HG2 ILE 65 2HG2 ILE 65 3.172 -12.396 -1.009 534 3HG2 ILE 65 3HG2 ILE 65 2.694 -10.814 -0.393 535 1HD1 ILE 65 1HD1 ILE 65 6.347 -10.631 -3.013 536 2HD1 ILE 65 2HD1 ILE 65 5.947 -11.320 -4.587 537 3HD1 ILE 65 3HD1 ILE 65 6.608 -12.349 -3.316 538 H GLU 66 H GLU 66 3.533 -10.320 -5.157 539 HA GLU 66 HA GLU 66 5.142 -8.011 -5.573 540 1HB GLU 66 2HB GLU 66 4.753 -10.408 -6.889 541 2HB GLU 66 1HB GLU 66 4.034 -9.241 -7.988 542 1HG GLU 66 2HG GLU 66 6.302 -7.958 -7.508 543 2HG GLU 66 1HG GLU 66 6.857 -9.596 -7.167 544 H GLU 67 H GLU 67 1.791 -8.853 -6.335 545 HA GLU 67 HA GLU 67 1.228 -6.538 -7.884 546 1HB GLU 67 2HB GLU 67 -0.046 -8.760 -7.811 547 2HB GLU 67 1HB GLU 67 -0.797 -8.154 -6.343 548 1HG GLU 67 2HG GLU 67 -2.355 -7.517 -7.860 549 2HG GLU 67 1HG GLU 67 -1.331 -6.082 -7.877 550 H LEU 68 H LEU 68 0.611 -7.406 -4.504 551 HA LEU 68 HA LEU 68 -0.724 -5.063 -3.732 552 1HB LEU 68 2HB LEU 68 -0.448 -7.319 -2.515 553 2HB LEU 68 1HB LEU 68 1.059 -6.657 -1.913 554 HG LEU 68 HG LEU 68 -0.122 -4.878 -0.769 555 1HD1 LEU 68 1HD1 LEU 68 -1.933 -4.353 -2.166 556 2HD1 LEU 68 2HD1 LEU 68 -2.665 -5.027 -0.709 557 3HD1 LEU 68 3HD1 LEU 68 -2.527 -6.013 -2.165 558 1HD2 LEU 68 1HD2 LEU 68 -1.780 -6.568 0.529 559 2HD2 LEU 68 2HD2 LEU 68 -0.034 -6.523 0.768 560 3HD2 LEU 68 3HD2 LEU 68 -0.742 -7.719 -0.317 561 H LYS 69 H LYS 69 2.717 -5.945 -3.464 562 HA LYS 69 HA LYS 69 3.586 -3.577 -2.235 563 1HB LYS 69 2HB LYS 69 4.939 -5.646 -2.359 564 2HB LYS 69 1HB LYS 69 5.153 -5.387 -4.085 565 1HG LYS 69 2HG LYS 69 5.933 -3.094 -2.446 566 2HG LYS 69 1HG LYS 69 6.870 -4.556 -2.131 567 1HD LYS 69 2HD LYS 69 6.382 -3.546 -4.923 568 2HD LYS 69 1HD LYS 69 7.732 -2.970 -3.945 569 1HE LYS 69 2HE LYS 69 7.430 -5.893 -4.046 570 2HE LYS 69 1HE LYS 69 7.819 -5.136 -5.590 571 1HZ LYS 69 1HZ LYS 69 9.708 -5.862 -3.995 572 2HZ LYS 69 2HZ LYS 69 9.366 -4.415 -3.190 573 3HZ LYS 69 3HZ LYS 69 9.834 -4.388 -4.816 574 H ASP 70 H ASP 70 3.307 -4.456 -5.661 575 HA ASP 70 HA ASP 70 4.543 -2.213 -6.768 576 1HB ASP 70 2HB ASP 70 3.513 -4.421 -7.847 577 2HB ASP 70 1HB ASP 70 2.151 -3.347 -8.145 578 H ASN 71 H ASN 71 1.185 -2.697 -5.745 579 HA ASN 71 HA ASN 71 0.259 -0.174 -6.687 580 1HB ASN 71 2HB ASN 71 -0.909 -2.493 -5.652 581 2HB ASN 71 1HB ASN 71 -1.303 -1.236 -4.485 582 1HD2 ASN 71 1HD2 ASN 71 -1.020 -1.377 -8.032 583 2HD2 ASN 71 2HD2 ASN 71 -2.571 -0.683 -8.344 584 H PHE 72 H PHE 72 1.138 -1.355 -3.427 585 HA PHE 72 HA PHE 72 0.626 1.058 -2.075 586 1HB PHE 72 2HB PHE 72 0.897 -1.003 -0.830 587 2HB PHE 72 1HB PHE 72 2.552 -1.181 -1.401 588 HD1 PHE 72 1HD PHE 72 0.380 1.141 0.543 589 HD2 PHE 72 2HD PHE 72 4.299 -0.394 -0.101 590 HE1 PHE 72 1HE PHE 72 1.189 2.392 2.502 591 HE2 PHE 72 2HE PHE 72 5.112 0.852 1.857 592 HZ PHE 72 HZ PHE 72 3.558 2.250 3.159 593 H LYS 73 H LYS 73 3.649 -0.235 -3.433 594 HA LYS 73 HA LYS 73 5.281 1.949 -2.733 595 1HB LYS 73 2HB LYS 73 5.750 -0.493 -3.823 596 2HB LYS 73 1HB LYS 73 5.946 0.529 -5.239 597 1HG LYS 73 2HG LYS 73 7.474 1.926 -3.614 598 2HG LYS 73 1HG LYS 73 7.572 0.387 -2.753 599 1HD LYS 73 2HD LYS 73 8.162 -0.637 -5.027 600 2HD LYS 73 1HD LYS 73 8.430 1.022 -5.565 601 1HE LYS 73 2HE LYS 73 9.744 0.029 -3.067 602 2HE LYS 73 1HE LYS 73 10.420 -0.389 -4.641 603 1HZ LYS 73 1HZ LYS 73 10.456 2.033 -5.140 604 2HZ LYS 73 2HZ LYS 73 11.484 1.578 -3.876 605 3HZ LYS 73 3HZ LYS 73 10.010 2.335 -3.534 606 H LEU 74 H LEU 74 3.193 1.359 -5.519 607 HA LEU 74 HA LEU 74 4.117 3.403 -7.197 608 1HB LEU 74 2HB LEU 74 1.801 1.661 -7.053 609 2HB LEU 74 1HB LEU 74 1.361 3.259 -7.624 610 HG LEU 74 HG LEU 74 3.668 1.803 -8.869 611 1HD1 LEU 74 1HD1 LEU 74 1.839 0.219 -8.944 612 2HD1 LEU 74 2HD1 LEU 74 2.121 0.898 -10.546 613 3HD1 LEU 74 3HD1 LEU 74 0.758 1.460 -9.577 614 1HD2 LEU 74 1HD2 LEU 74 3.341 3.247 -10.666 615 2HD2 LEU 74 2HD2 LEU 74 3.060 4.271 -9.258 616 3HD2 LEU 74 3HD2 LEU 74 1.693 3.640 -10.177 617 H MET 75 H MET 75 1.583 3.476 -4.682 618 HA MET 75 HA MET 75 0.847 6.174 -5.133 619 1HB MET 75 2HB MET 75 -0.312 4.267 -3.714 620 2HB MET 75 1HB MET 75 0.617 4.984 -2.404 621 1HG MET 75 2HG MET 75 -0.607 7.115 -3.780 622 2HG MET 75 1HG MET 75 -1.832 5.867 -3.580 623 1HE MET 75 1HE MET 75 1.212 6.715 -1.015 624 2HE MET 75 2HE MET 75 0.403 8.064 -0.216 625 3HE MET 75 3HE MET 75 0.750 8.142 -1.943 626 H CYS 76 H CYS 76 3.112 4.667 -2.849 627 HA CYS 76 HA CYS 76 3.875 7.001 -1.491 628 1HB CYS 76 2HB CYS 76 5.023 4.286 -1.859 629 2HB CYS 76 1HB CYS 76 6.134 5.544 -1.327 630 HG CYS 76 HG CYS 76 3.616 4.712 0.302 631 H THR 77 H THR 77 5.152 5.494 -4.435 632 HA THR 77 HA THR 77 7.296 7.342 -4.765 633 HB THR 77 HB THR 77 5.986 5.546 -6.818 634 HG1 THR 77 1HG THR 77 6.790 4.186 -5.348 635 1HG2 THR 77 1HG2 THR 77 7.552 6.083 -8.301 636 2HG2 THR 77 2HG2 THR 77 8.832 6.080 -7.086 637 3HG2 THR 77 3HG2 THR 77 7.827 7.512 -7.306 638 H ASN 78 H ASN 78 4.080 7.052 -6.297 639 HA ASN 78 HA ASN 78 4.353 9.314 -7.963 640 1HB ASN 78 2HB ASN 78 1.822 8.038 -6.898 641 2HB ASN 78 1HB ASN 78 1.926 9.142 -8.256 642 1HD2 ASN 78 1HD2 ASN 78 0.705 7.011 -8.939 643 2HD2 ASN 78 2HD2 ASN 78 1.682 5.868 -9.773 644 H ALA 79 H ALA 79 3.255 8.895 -4.651 645 HA ALA 79 HA ALA 79 2.141 11.515 -4.373 646 1HB ALA 79 1HB ALA 79 2.194 10.961 -1.923 647 2HB ALA 79 2HB ALA 79 2.926 9.419 -2.362 648 3HB ALA 79 3HB ALA 79 1.308 9.821 -2.935 649 H MET 80 H MET 80 5.251 10.023 -3.482 650 HA MET 80 HA MET 80 6.264 12.326 -2.169 651 1HB MET 80 2HB MET 80 8.381 11.206 -2.113 652 2HB MET 80 1HB MET 80 7.123 10.020 -1.806 653 1HG MET 80 2HG MET 80 7.833 8.767 -3.478 654 2HG MET 80 1HG MET 80 7.671 10.108 -4.607 655 1HE MET 80 1HE MET 80 10.402 10.882 -5.916 656 2HE MET 80 2HE MET 80 9.168 9.630 -6.058 657 3HE MET 80 3HE MET 80 10.863 9.180 -5.867 658 H ILE 81 H ILE 81 6.270 11.295 -5.529 659 HA ILE 81 HA ILE 81 8.243 13.202 -6.355 660 HB ILE 81 HB ILE 81 7.829 11.139 -7.644 661 1HG1 ILE 81 2HG1 ILE 81 7.372 12.578 -9.912 662 2HG1 ILE 81 1HG1 ILE 81 7.834 13.857 -8.794 663 1HG2 ILE 81 1HG2 ILE 81 5.194 12.441 -8.301 664 2HG2 ILE 81 2HG2 ILE 81 5.459 10.909 -7.473 665 3HG2 ILE 81 3HG2 ILE 81 5.870 11.071 -9.178 666 1HD1 ILE 81 1HD1 ILE 81 9.952 12.907 -8.427 667 2HD1 ILE 81 2HD1 ILE 81 9.679 12.822 -10.167 668 3HD1 ILE 81 3HD1 ILE 81 9.481 11.379 -9.173 669 H TYR 82 H TYR 82 4.692 13.144 -6.272 670 HA TYR 82 HA TYR 82 4.470 15.698 -7.594 671 1HB TYR 82 2HB TYR 82 2.719 13.813 -7.623 672 2HB TYR 82 1HB TYR 82 2.267 14.376 -6.016 673 HD1 TYR 82 1HD TYR 82 3.093 16.086 -9.246 674 HD2 TYR 82 2HD TYR 82 0.309 15.597 -6.066 675 HE1 TYR 82 1HE TYR 82 1.644 17.790 -10.260 676 HE2 TYR 82 2HE TYR 82 -1.144 17.303 -7.073 677 HH TYR 82 HH TYR 82 -0.225 19.469 -9.223 678 H ASN 83 H ASN 83 5.331 14.817 -4.464 679 HA ASN 83 HA ASN 83 4.426 17.400 -3.410 680 1HB ASN 83 2HB ASN 83 3.647 15.027 -2.423 681 2HB ASN 83 1HB ASN 83 5.155 15.206 -1.532 682 1HD2 ASN 83 1HD2 ASN 83 2.453 17.322 -2.497 683 2HD2 ASN 83 2HD2 ASN 83 2.223 18.012 -0.930 684 H LYS 84 H LYS 84 6.132 16.893 -1.014 685 HA LYS 84 HA LYS 84 8.823 16.566 -1.605 686 1HB LYS 84 2HB LYS 84 9.506 19.035 -1.528 687 2HB LYS 84 1HB LYS 84 8.850 18.433 -3.042 688 1HG LYS 84 2HG LYS 84 6.588 19.334 -2.080 689 2HG LYS 84 1HG LYS 84 7.647 20.320 -1.071 690 1HD LYS 84 2HD LYS 84 7.763 20.189 -4.084 691 2HD LYS 84 1HD LYS 84 6.953 21.455 -3.161 692 1HE LYS 84 2HE LYS 84 8.892 22.553 -3.178 693 2HE LYS 84 1HE LYS 84 9.490 21.334 -2.054 694 1HZ LYS 84 1HZ LYS 84 10.788 21.801 -4.216 695 2HZ LYS 84 2HZ LYS 84 9.606 20.847 -4.959 696 3HZ LYS 84 3HZ LYS 84 10.568 20.196 -3.730 697 HA PRO 85 HA PRO 85 9.203 16.923 2.785 698 1HB PRO 85 2HB PRO 85 11.585 18.258 3.114 699 2HB PRO 85 1HB PRO 85 11.458 16.544 2.711 700 1HG PRO 85 2HG PRO 85 11.953 18.882 0.914 701 2HG PRO 85 1HG PRO 85 12.713 17.280 0.903 702 1HD PRO 85 2HD PRO 85 10.789 17.935 -0.847 703 2HD PRO 85 1HD PRO 85 10.915 16.297 -0.177 704 H GLU 86 H GLU 86 7.342 18.431 2.662 705 HA GLU 86 HA GLU 86 7.979 21.250 3.084 706 1HB GLU 86 2HB GLU 86 5.997 20.101 1.661 707 2HB GLU 86 1HB GLU 86 5.170 20.307 3.198 708 1HG GLU 86 2HG GLU 86 6.642 22.596 1.970 709 2HG GLU 86 1HG GLU 86 5.033 22.159 1.397 710 H THR 87 H THR 87 5.860 18.836 4.658 711 HA THR 87 HA THR 87 6.687 19.907 7.256 712 HB THR 87 HB THR 87 4.312 19.745 8.043 713 HG1 THR 87 1HG THR 87 3.815 19.428 5.265 714 1HG2 THR 87 1HG2 THR 87 5.309 21.913 7.330 715 2HG2 THR 87 2HG2 THR 87 3.556 21.815 7.172 716 3HG2 THR 87 3HG2 THR 87 4.581 21.660 5.745 717 H ILE 88 H ILE 88 4.127 17.585 6.560 718 HA ILE 88 HA ILE 88 5.837 15.443 7.627 719 HB ILE 88 HB ILE 88 3.597 14.510 8.583 720 1HG1 ILE 88 2HG1 ILE 88 2.043 16.243 9.360 721 2HG1 ILE 88 1HG1 ILE 88 2.998 17.483 8.556 722 1HG2 ILE 88 1HG2 ILE 88 4.358 15.112 10.631 723 2HG2 ILE 88 2HG2 ILE 88 4.528 16.811 10.194 724 3HG2 ILE 88 3HG2 ILE 88 5.748 15.644 9.686 725 1HD1 ILE 88 1HD1 ILE 88 1.904 15.245 6.933 726 2HD1 ILE 88 2HD1 ILE 88 2.232 16.919 6.481 727 3HD1 ILE 88 3HD1 ILE 88 0.823 16.531 7.467 728 H TYR 89 H TYR 89 4.222 16.431 4.940 729 HA TYR 89 HA TYR 89 2.819 14.071 4.192 730 1HB TYR 89 2HB TYR 89 3.826 16.453 2.644 731 2HB TYR 89 1HB TYR 89 3.053 15.093 1.841 732 HD1 TYR 89 1HD TYR 89 2.486 17.619 4.523 733 HD2 TYR 89 2HD TYR 89 0.731 15.019 1.648 734 HE1 TYR 89 1HE TYR 89 0.285 18.609 4.982 735 HE2 TYR 89 2HE TYR 89 -1.476 16.002 2.100 736 HH TYR 89 HH TYR 89 -2.589 17.222 4.046 737 H TYR 90 H TYR 90 6.047 15.346 3.370 738 HA TYR 90 HA TYR 90 6.780 13.179 1.696 739 1HB TYR 90 2HB TYR 90 7.934 15.379 1.681 740 2HB TYR 90 1HB TYR 90 8.611 15.012 3.264 741 HD1 TYR 90 1HD TYR 90 8.275 13.065 0.086 742 HD2 TYR 90 2HD TYR 90 10.876 14.571 3.097 743 HE1 TYR 90 1HE TYR 90 10.168 11.932 -0.993 744 HE2 TYR 90 2HE TYR 90 12.781 13.444 2.023 745 HH TYR 90 HH TYR 90 12.732 12.284 -1.063 746 H LYS 91 H LYS 91 7.376 13.846 5.134 747 HA LYS 91 HA LYS 91 8.910 11.521 5.627 748 1HB LYS 91 2HB LYS 91 8.590 13.679 7.071 749 2HB LYS 91 1HB LYS 91 7.230 12.798 7.757 750 1HG LYS 91 2HG LYS 91 8.731 12.007 9.207 751 2HG LYS 91 1HG LYS 91 9.209 10.932 7.893 752 1HD LYS 91 2HD LYS 91 11.238 11.843 8.516 753 2HD LYS 91 1HD LYS 91 10.754 12.915 7.200 754 1HE LYS 91 2HE LYS 91 9.624 13.951 9.573 755 2HE LYS 91 1HE LYS 91 11.299 13.545 9.939 756 1HZ LYS 91 1HZ LYS 91 10.874 15.848 9.051 757 2HZ LYS 91 2HZ LYS 91 10.537 15.134 7.556 758 3HZ LYS 91 3HZ LYS 91 12.071 14.961 8.248 759 H ALA 92 H ALA 92 5.435 12.192 5.849 760 HA ALA 92 HA ALA 92 4.609 9.855 7.131 761 1HB ALA 92 1HB ALA 92 2.922 11.408 6.960 762 2HB ALA 92 2HB ALA 92 2.458 10.273 5.692 763 3HB ALA 92 3HB ALA 92 3.280 11.774 5.271 764 H ALA 93 H ALA 93 5.066 10.499 3.663 765 HA ALA 93 HA ALA 93 4.214 7.933 2.794 766 1HB ALA 93 1HB ALA 93 5.998 9.906 1.367 767 2HB ALA 93 2HB ALA 93 4.235 9.900 1.324 768 3HB ALA 93 3HB ALA 93 5.139 8.552 0.633 769 H LYS 94 H LYS 94 7.413 9.300 3.526 770 HA LYS 94 HA LYS 94 8.900 7.049 2.653 771 1HB LYS 94 2HB LYS 94 9.594 9.549 3.286 772 2HB LYS 94 1HB LYS 94 9.988 8.777 4.816 773 1HG LYS 94 2HG LYS 94 11.984 8.520 3.792 774 2HG LYS 94 1HG LYS 94 11.200 7.061 3.182 775 1HD LYS 94 2HD LYS 94 10.433 8.574 1.228 776 2HD LYS 94 1HD LYS 94 11.706 9.664 1.780 777 1HE LYS 94 2HE LYS 94 13.046 7.315 1.734 778 2HE LYS 94 1HE LYS 94 11.893 7.052 0.427 779 1HZ LYS 94 1HZ LYS 94 14.110 8.106 -0.165 780 2HZ LYS 94 2HZ LYS 94 13.531 9.513 0.576 781 3HZ LYS 94 3HZ LYS 94 12.721 8.866 -0.761 782 H LYS 95 H LYS 95 7.842 8.064 5.904 783 HA LYS 95 HA LYS 95 8.998 5.914 7.305 784 1HB LYS 95 2HB LYS 95 7.372 8.159 7.921 785 2HB LYS 95 1HB LYS 95 6.571 6.745 8.589 786 1HG LYS 95 2HG LYS 95 8.770 6.150 9.664 787 2HG LYS 95 1HG LYS 95 9.341 7.747 9.178 788 1HD LYS 95 2HD LYS 95 8.057 8.825 10.710 789 2HD LYS 95 1HD LYS 95 6.747 7.649 10.597 790 1HE LYS 95 2HE LYS 95 9.354 7.330 12.082 791 2HE LYS 95 1HE LYS 95 7.750 7.522 12.787 792 1HZ LYS 95 1HZ LYS 95 7.977 5.274 12.902 793 2HZ LYS 95 2HZ LYS 95 8.960 5.171 11.529 794 3HZ LYS 95 3HZ LYS 95 7.290 5.378 11.359 795 H LEU 96 H LEU 96 5.701 6.351 6.028 796 HA LEU 96 HA LEU 96 4.695 3.876 6.907 797 1HB LEU 96 2HB LEU 96 3.431 5.929 6.016 798 2HB LEU 96 1HB LEU 96 3.746 5.272 4.422 799 HG LEU 96 HG LEU 96 2.504 3.247 4.983 800 1HD1 LEU 96 1HD1 LEU 96 2.622 2.739 7.184 801 2HD1 LEU 96 2HD1 LEU 96 1.084 3.604 7.214 802 3HD1 LEU 96 3HD1 LEU 96 2.570 4.427 7.692 803 1HD2 LEU 96 1HD2 LEU 96 0.739 5.500 5.833 804 2HD2 LEU 96 2HD2 LEU 96 0.394 4.148 4.756 805 3HD2 LEU 96 3HD2 LEU 96 1.420 5.473 4.206 806 H LEU 97 H LEU 97 6.539 4.771 4.046 807 HA LEU 97 HA LEU 97 6.068 2.424 2.543 808 1HB LEU 97 2HB LEU 97 7.064 4.512 1.623 809 2HB LEU 97 1HB LEU 97 8.531 4.174 2.520 810 HG LEU 97 HG LEU 97 8.536 3.588 0.047 811 1HD1 LEU 97 1HD1 LEU 97 9.153 1.084 1.465 812 2HD1 LEU 97 2HD1 LEU 97 9.905 2.542 2.110 813 3HD1 LEU 97 3HD1 LEU 97 10.166 2.085 0.427 814 1HD2 LEU 97 1HD2 LEU 97 6.266 2.582 0.039 815 2HD2 LEU 97 2HD2 LEU 97 6.903 1.234 0.980 816 3HD2 LEU 97 3HD2 LEU 97 7.507 1.536 -0.648 817 H HIS 98 H HIS 98 8.565 3.279 4.920 818 HA HIS 98 HA HIS 98 10.105 0.941 4.698 819 1HB HIS 98 2HB HIS 98 9.806 3.114 6.686 820 2HB HIS 98 1HB HIS 98 10.440 1.596 7.313 821 HD1 HIS 98 1HD HIS 98 12.566 0.645 5.806 822 HD2 HIS 98 2HD HIS 98 11.725 4.711 5.646 823 HE1 HIS 98 1HE HIS 98 14.666 1.731 4.952 824 HE2 HIS 98 2HE HIS 98 14.113 4.185 4.800 825 H SER 99 H SER 99 7.331 1.737 6.762 826 HA SER 99 HA SER 99 7.283 -0.777 8.112 827 1HB SER 99 2HB SER 99 6.259 1.226 9.106 828 2HB SER 99 1HB SER 99 5.098 1.301 7.779 829 HG SER 99 HG SER 99 4.012 0.221 9.299 830 H GLY 100 H GLY 100 5.750 0.525 5.213 831 1HA GLY 100 2HA GLY 100 3.925 -1.617 4.807 832 2HA GLY 100 1HA GLY 100 4.439 -0.452 3.597 833 H MET 101 H MET 101 7.243 -1.024 3.712 834 HA MET 101 HA MET 101 7.352 -3.213 1.911 835 1HB MET 101 2HB MET 101 9.096 -1.140 2.756 836 2HB MET 101 1HB MET 101 9.941 -2.657 3.026 837 1HG MET 101 2HG MET 101 8.727 -2.800 0.477 838 2HG MET 101 1HG MET 101 9.543 -1.241 0.600 839 1HE MET 101 1HE MET 101 10.484 -2.147 -1.421 840 2HE MET 101 2HE MET 101 11.526 -3.559 -1.587 841 3HE MET 101 3HE MET 101 12.214 -2.005 -1.117 842 H LYS 102 H LYS 102 8.428 -2.844 5.296 843 HA LYS 102 HA LYS 102 9.423 -5.465 5.563 844 1HB LYS 102 2HB LYS 102 9.082 -5.048 8.067 845 2HB LYS 102 1HB LYS 102 10.179 -3.985 7.202 846 1HG LYS 102 2HG LYS 102 9.053 -2.242 7.942 847 2HG LYS 102 1HG LYS 102 7.616 -2.809 7.097 848 1HD LYS 102 2HD LYS 102 6.799 -2.757 9.227 849 2HD LYS 102 1HD LYS 102 7.444 -4.399 9.206 850 1HE LYS 102 2HE LYS 102 8.184 -3.412 11.228 851 2HE LYS 102 1HE LYS 102 9.579 -3.453 10.150 852 1HZ LYS 102 1HZ LYS 102 7.850 -1.074 10.576 853 2HZ LYS 102 2HZ LYS 102 9.272 -1.135 9.663 854 3HZ LYS 102 3HZ LYS 102 9.336 -1.330 11.341 855 H ILE 103 H ILE 103 6.200 -4.123 6.391 856 HA ILE 103 HA ILE 103 5.162 -6.506 7.454 857 HB ILE 103 HB ILE 103 2.937 -5.549 7.026 858 1HG1 ILE 103 2HG1 ILE 103 3.202 -2.985 6.264 859 2HG1 ILE 103 1HG1 ILE 103 4.507 -3.702 5.328 860 1HG2 ILE 103 1HG2 ILE 103 5.022 -3.831 8.316 861 2HG2 ILE 103 2HG2 ILE 103 3.895 -4.953 9.075 862 3HG2 ILE 103 3HG2 ILE 103 3.304 -3.441 8.391 863 1HD1 ILE 103 1HD1 ILE 103 3.077 -4.497 3.837 864 2HD1 ILE 103 2HD1 ILE 103 1.810 -3.592 4.661 865 3HD1 ILE 103 3HD1 ILE 103 2.113 -5.275 5.090 866 H LEU 104 H LEU 104 5.272 -5.268 4.138 867 HA LEU 104 HA LEU 104 3.621 -7.276 3.008 868 1HB LEU 104 2HB LEU 104 5.376 -5.139 2.025 869 2HB LEU 104 1HB LEU 104 5.262 -6.520 0.952 870 HG LEU 104 HG LEU 104 2.704 -5.441 1.995 871 1HD1 LEU 104 1HD1 LEU 104 4.469 -3.582 1.137 872 2HD1 LEU 104 2HD1 LEU 104 2.720 -3.449 0.965 873 3HD1 LEU 104 3HD1 LEU 104 3.697 -4.031 -0.382 874 1HD2 LEU 104 1HD2 LEU 104 1.830 -6.269 0.038 875 2HD2 LEU 104 2HD2 LEU 104 3.167 -7.385 0.311 876 3HD2 LEU 104 3HD2 LEU 104 3.339 -6.071 -0.853 877 H SER 105 H SER 105 7.068 -7.116 3.712 878 HA SER 105 HA SER 105 7.946 -9.279 2.166 879 1HB SER 105 2HB SER 105 8.968 -8.128 4.763 880 2HB SER 105 1HB SER 105 9.772 -9.463 3.941 881 HG SER 105 HG SER 105 9.931 -6.850 3.419 882 H GLN 106 H GLN 106 6.276 -9.190 5.249 883 HA GLN 106 HA GLN 106 6.799 -11.786 6.148 884 1HB GLN 106 2HB GLN 106 4.248 -10.206 6.522 885 2HB GLN 106 1HB GLN 106 4.781 -11.566 7.501 886 1HG GLN 106 2HG GLN 106 6.799 -10.201 8.114 887 2HG GLN 106 1HG GLN 106 6.018 -8.836 7.319 888 1HE2 GLN 106 1HE2 GLN 106 3.989 -8.097 8.165 889 2HE2 GLN 106 2HE2 GLN 106 3.616 -8.328 9.836 890 H GLU 107 H GLU 107 4.456 -10.594 3.797 891 HA GLU 107 HA GLU 107 2.950 -12.983 3.571 892 1HB GLU 107 2HB GLU 107 3.351 -10.708 1.624 893 2HB GLU 107 1HB GLU 107 2.196 -12.013 1.392 894 1HG GLU 107 2HG GLU 107 1.680 -11.015 3.945 895 2HG GLU 107 1HG GLU 107 1.961 -9.601 2.932 896 H ARG 108 H ARG 108 5.809 -11.759 1.868 897 HA ARG 108 HA ARG 108 5.907 -14.163 0.216 898 1HB ARG 108 2HB ARG 108 7.763 -13.051 -0.946 899 2HB ARG 108 1HB ARG 108 6.333 -12.031 -0.886 900 1HG ARG 108 2HG ARG 108 7.336 -10.805 1.016 901 2HG ARG 108 1HG ARG 108 8.794 -11.779 0.831 902 1HD ARG 108 2HD ARG 108 8.557 -10.922 -1.681 903 2HD ARG 108 1HD ARG 108 7.737 -9.591 -0.867 904 HE ARG 108 HE ARG 108 9.750 -8.905 -0.010 905 1HH1 ARG 108 1HH1 ARG 108 10.118 -12.140 -1.309 906 2HH1 ARG 108 2HH1 ARG 108 11.843 -12.135 -1.165 907 1HH2 ARG 108 1HH2 ARG 108 12.024 -8.908 0.185 908 2HH2 ARG 108 2HH2 ARG 108 12.926 -10.298 -0.314 909 H LEU 109 H LEU 109 6.211 -14.865 2.815 910 HA LEU 109 HA LEU 109 9.045 -15.031 3.445 911 1HB LEU 109 2HB LEU 109 6.828 -14.843 5.007 912 2HB LEU 109 1HB LEU 109 7.120 -16.571 5.055 913 HG LEU 109 HG LEU 109 9.599 -15.738 5.606 914 1HD1 LEU 109 1HD1 LEU 109 9.555 -13.796 7.059 915 2HD1 LEU 109 2HD1 LEU 109 7.835 -13.572 6.741 916 3HD1 LEU 109 3HD1 LEU 109 9.007 -13.364 5.440 917 1HD2 LEU 109 1HD2 LEU 109 7.998 -17.213 6.921 918 2HD2 LEU 109 2HD2 LEU 109 7.501 -15.742 7.757 919 3HD2 LEU 109 3HD2 LEU 109 9.174 -16.288 7.852 920 H GLU 110 H GLU 110 10.316 -16.738 3.035 921 HA GLU 110 HA GLU 110 9.211 -19.390 2.723 922 1HB GLU 110 2HB GLU 110 10.295 -19.711 0.475 923 2HB GLU 110 1HB GLU 110 8.876 -18.674 0.477 924 1HG GLU 110 2HG GLU 110 10.148 -16.736 0.165 925 2HG GLU 110 1HG GLU 110 11.644 -17.538 0.640 926 H HIS 111 H HIS 111 10.705 -19.014 4.741 927 HA HIS 111 HA HIS 111 13.528 -19.130 4.222 928 1HB HIS 111 2HB HIS 111 11.794 -19.081 6.609 929 2HB HIS 111 1HB HIS 111 13.308 -19.960 6.802 930 HD1 HIS 111 1HD HIS 111 12.724 -16.736 4.875 931 HD2 HIS 111 2HD HIS 111 14.833 -18.164 8.162 932 HE1 HIS 111 1HE HIS 111 14.170 -14.822 5.632 933 HE2 HIS 111 2HE HIS 111 15.386 -15.687 7.662 934 H HIS 112 H HIS 112 10.972 -21.480 4.756 935 HA HIS 112 HA HIS 112 12.904 -23.668 4.888 936 1HB HIS 112 2HB HIS 112 10.902 -23.573 6.422 937 2HB HIS 112 1HB HIS 112 9.889 -23.848 5.010 938 HD1 HIS 112 1HD HIS 112 12.606 -25.571 7.021 939 HD2 HIS 112 2HD HIS 112 9.590 -26.478 4.306 940 HE1 HIS 112 1HE HIS 112 12.484 -28.083 6.962 941 HE2 HIS 112 2HE HIS 112 10.645 -28.609 5.322 942 H HIS 113 H HIS 113 13.011 -22.369 2.478 943 HA HIS 113 HA HIS 113 11.339 -23.647 0.525 944 1HB HIS 113 2HB HIS 113 12.762 -22.494 -1.132 945 2HB HIS 113 1HB HIS 113 12.171 -21.395 0.106 946 HD1 HIS 113 1HD HIS 113 15.264 -22.722 -1.398 947 HD2 HIS 113 2HD HIS 113 14.189 -20.515 1.954 948 HE1 HIS 113 1HE HIS 113 17.400 -21.697 -0.554 949 HE2 HIS 113 2HE HIS 113 16.723 -20.355 1.469 950 H HIS 114 H HIS 114 11.603 -25.625 -0.254 951 HA HIS 114 HA HIS 114 13.733 -27.301 0.478 952 1HB HIS 114 2HB HIS 114 11.251 -27.584 -0.864 953 2HB HIS 114 1HB HIS 114 12.478 -28.273 -1.920 954 HD1 HIS 114 1HD HIS 114 14.243 -29.282 0.616 955 HD2 HIS 114 2HD HIS 114 10.252 -30.116 -0.196 956 HE1 HIS 114 1HE HIS 114 13.738 -31.416 1.846 957 HE2 HIS 114 2HE HIS 114 11.361 -31.971 1.227 958 H HIS 115 H HIS 115 15.755 -27.294 -0.216 959 HA HIS 115 HA HIS 115 16.378 -26.110 -2.819 960 1HB HIS 115 2HB HIS 115 17.513 -25.428 -0.596 961 2HB HIS 115 1HB HIS 115 18.415 -26.931 -0.765 962 HD1 HIS 115 1HD HIS 115 20.687 -26.159 -1.426 963 HD2 HIS 115 2HD HIS 115 17.696 -24.298 -3.628 964 HE1 HIS 115 1HE HIS 115 21.883 -24.811 -3.181 965 HE2 HIS 115 2HE HIS 115 20.048 -23.789 -4.572 966 H HIS 116 H HIS 116 17.250 -27.222 -4.470 967 HA HIS 116 HA HIS 116 17.986 -28.927 -5.763 968 1HB HIS 116 2HB HIS 116 19.727 -29.083 -3.888 969 2HB HIS 116 1HB HIS 116 18.778 -30.428 -3.269 970 HD1 HIS 116 1HD HIS 116 18.262 -31.210 -6.510 971 HD2 HIS 116 2HD HIS 116 21.785 -31.065 -4.308 972 HE1 HIS 116 1HE HIS 116 19.872 -32.708 -7.722 973 HE2 HIS 116 2HE HIS 116 21.956 -32.702 -6.306 Start of MODEL 12 1 1H MET 0 1HT MET 0 -4.018 -32.124 -4.579 2 2H MET 0 2HT MET 0 -5.388 -32.931 -5.222 3 3H MET 0 3HT MET 0 -5.528 -32.017 -3.775 4 HA MET 0 HA MET 0 -5.100 -31.071 -6.522 5 1HB MET 0 2HB MET 0 -7.249 -30.877 -4.434 6 2HB MET 0 1HB MET 0 -7.107 -29.623 -5.659 7 1HG MET 0 2HG MET 0 -7.379 -32.549 -6.291 8 2HG MET 0 1HG MET 0 -8.740 -31.433 -6.180 9 1HE MET 0 1HE MET 0 -7.954 -33.282 -8.690 10 2HE MET 0 2HE MET 0 -6.217 -33.050 -8.485 11 3HE MET 0 3HE MET 0 -7.014 -32.493 -9.957 12 H GLU 1 H GLU 1 -5.697 -29.680 -3.283 13 HA GLU 1 HA GLU 1 -4.798 -27.916 -2.181 14 1HB GLU 1 2HB GLU 1 -2.644 -29.348 -3.124 15 2HB GLU 1 1HB GLU 1 -2.309 -27.725 -3.712 16 1HG GLU 1 2HG GLU 1 -3.173 -27.656 -0.967 17 2HG GLU 1 1HG GLU 1 -1.803 -28.746 -1.172 18 H GLU 2 H GLU 2 -6.348 -26.495 -3.081 19 HA GLU 2 HA GLU 2 -5.144 -24.451 -4.791 20 1HB GLU 2 2HB GLU 2 -7.446 -26.151 -5.494 21 2HB GLU 2 1HB GLU 2 -7.701 -24.431 -5.744 22 1HG GLU 2 2HG GLU 2 -6.474 -24.440 -7.586 23 2HG GLU 2 1HG GLU 2 -5.134 -25.236 -6.765 24 H VAL 3 H VAL 3 -5.813 -24.660 -1.914 25 HA VAL 3 HA VAL 3 -7.764 -22.455 -1.753 26 HB VAL 3 HB VAL 3 -7.920 -23.249 0.726 27 1HG1 VAL 3 1HG1 VAL 3 -9.851 -24.594 0.172 28 2HG1 VAL 3 2HG1 VAL 3 -9.258 -24.819 -1.473 29 3HG1 VAL 3 3HG1 VAL 3 -9.749 -23.216 -0.924 30 1HG2 VAL 3 1HG2 VAL 3 -6.089 -24.995 0.266 31 2HG2 VAL 3 2HG2 VAL 3 -7.376 -25.928 -0.500 32 3HG2 VAL 3 3HG2 VAL 3 -7.501 -25.488 1.202 33 H GLU 4 H GLU 4 -4.519 -23.117 -1.466 34 HA GLU 4 HA GLU 4 -3.855 -21.643 0.863 35 1HB GLU 4 2HB GLU 4 -2.438 -23.028 -1.238 36 2HB GLU 4 1HB GLU 4 -1.672 -21.484 -0.889 37 1HG GLU 4 2HG GLU 4 -2.330 -22.784 1.566 38 2HG GLU 4 1HG GLU 4 -1.439 -23.895 0.528 39 H GLN 5 H GLN 5 -4.938 -20.626 -2.205 40 HA GLN 5 HA GLN 5 -3.553 -18.108 -2.256 41 1HB GLN 5 2HB GLN 5 -5.981 -18.975 -3.831 42 2HB GLN 5 1HB GLN 5 -4.945 -17.599 -4.184 43 1HG GLN 5 2HG GLN 5 -3.244 -18.908 -4.990 44 2HG GLN 5 1HG GLN 5 -3.739 -20.316 -4.051 45 1HE2 GLN 5 1HE2 GLN 5 -4.206 -21.877 -5.433 46 2HE2 GLN 5 2HE2 GLN 5 -5.198 -21.722 -6.837 47 H THR 6 H THR 6 -6.594 -19.282 -0.983 48 HA THR 6 HA THR 6 -7.935 -16.823 -0.760 49 HB THR 6 HB THR 6 -8.503 -18.712 1.412 50 HG1 THR 6 1HG THR 6 -9.066 -20.412 0.167 51 1HG2 THR 6 1HG2 THR 6 -10.400 -18.223 -0.795 52 2HG2 THR 6 2HG2 THR 6 -9.947 -16.840 0.201 53 3HG2 THR 6 3HG2 THR 6 -10.668 -18.268 0.947 54 HA PRO 7 HA PRO 7 -6.137 -16.814 3.886 55 1HB PRO 7 2HB PRO 7 -3.524 -18.025 3.107 56 2HB PRO 7 1HB PRO 7 -4.407 -18.139 4.630 57 1HG PRO 7 2HG PRO 7 -4.408 -20.174 2.933 58 2HG PRO 7 1HG PRO 7 -5.887 -19.729 3.806 59 1HD PRO 7 2HD PRO 7 -5.148 -19.238 0.958 60 2HD PRO 7 1HD PRO 7 -6.731 -19.611 1.664 61 H LEU 8 H LEU 8 -4.173 -16.489 0.959 62 HA LEU 8 HA LEU 8 -2.401 -14.511 1.795 63 1HB LEU 8 2HB LEU 8 -3.543 -15.265 -0.866 64 2HB LEU 8 1HB LEU 8 -2.560 -13.822 -0.730 65 HG LEU 8 HG LEU 8 -1.508 -16.431 0.297 66 1HD1 LEU 8 1HD1 LEU 8 -0.996 -17.269 -1.736 67 2HD1 LEU 8 2HD1 LEU 8 -0.807 -15.677 -2.470 68 3HD1 LEU 8 3HD1 LEU 8 -2.420 -16.353 -2.229 69 1HD2 LEU 8 1HD2 LEU 8 0.143 -14.431 -1.123 70 2HD2 LEU 8 2HD2 LEU 8 0.500 -15.386 0.316 71 3HD2 LEU 8 3HD2 LEU 8 -0.513 -13.947 0.441 72 H GLN 9 H GLN 9 -5.727 -14.251 0.649 73 HA GLN 9 HA GLN 9 -5.810 -11.442 0.357 74 1HB GLN 9 2HB GLN 9 -7.509 -13.380 -0.308 75 2HB GLN 9 1HB GLN 9 -8.248 -12.922 1.219 76 1HG GLN 9 2HG GLN 9 -7.771 -10.514 -0.087 77 2HG GLN 9 1HG GLN 9 -8.341 -11.609 -1.345 78 1HE2 GLN 9 1HE2 GLN 9 -10.291 -10.539 -1.588 79 2HE2 GLN 9 2HE2 GLN 9 -11.545 -10.610 -0.402 80 H GLU 10 H GLU 10 -6.556 -13.578 3.092 81 HA GLU 10 HA GLU 10 -7.522 -11.613 4.853 82 1HB GLU 10 2HB GLU 10 -7.686 -14.125 5.124 83 2HB GLU 10 1HB GLU 10 -6.012 -14.103 5.658 84 1HG GLU 10 2HG GLU 10 -6.768 -13.787 7.714 85 2HG GLU 10 1HG GLU 10 -7.261 -12.170 7.213 86 H ALA 11 H ALA 11 -4.243 -12.918 4.398 87 HA ALA 11 HA ALA 11 -2.976 -11.422 6.415 88 1HB ALA 11 1HB ALA 11 -1.575 -13.068 5.718 89 2HB ALA 11 2HB ALA 11 -0.953 -11.770 4.702 90 3HB ALA 11 3HB ALA 11 -2.085 -12.946 4.035 91 H LEU 12 H LEU 12 -3.548 -10.738 2.985 92 HA LEU 12 HA LEU 12 -2.087 -8.346 2.828 93 1HB LEU 12 2HB LEU 12 -3.612 -9.879 1.091 94 2HB LEU 12 1HB LEU 12 -4.488 -8.363 1.178 95 HG LEU 12 HG LEU 12 -1.561 -8.178 0.741 96 1HD1 LEU 12 1HD1 LEU 12 -2.289 -8.404 -1.811 97 2HD1 LEU 12 2HD1 LEU 12 -3.414 -9.564 -1.104 98 3HD1 LEU 12 3HD1 LEU 12 -1.678 -9.764 -0.871 99 1HD2 LEU 12 1HD2 LEU 12 -3.635 -6.409 0.740 100 2HD2 LEU 12 2HD2 LEU 12 -3.447 -6.745 -0.981 101 3HD2 LEU 12 3HD2 LEU 12 -2.079 -6.145 -0.045 102 H ASN 13 H ASN 13 -5.507 -8.939 3.608 103 HA ASN 13 HA ASN 13 -6.322 -6.266 3.832 104 1HB ASN 13 2HB ASN 13 -7.322 -8.849 4.980 105 2HB ASN 13 1HB ASN 13 -8.018 -7.329 5.529 106 1HD2 ASN 13 1HD2 ASN 13 -8.986 -9.662 3.840 107 2HD2 ASN 13 2HD2 ASN 13 -9.679 -8.904 2.451 108 H GLN 14 H GLN 14 -4.722 -8.405 6.127 109 HA GLN 14 HA GLN 14 -5.023 -6.782 8.421 110 1HB GLN 14 2HB GLN 14 -4.144 -9.278 8.065 111 2HB GLN 14 1HB GLN 14 -2.586 -8.468 8.106 112 1HG GLN 14 2HG GLN 14 -3.038 -9.193 10.304 113 2HG GLN 14 1HG GLN 14 -3.280 -7.446 10.287 114 1HE2 GLN 14 1HE2 GLN 14 -5.212 -10.364 9.603 115 2HE2 GLN 14 2HE2 GLN 14 -6.590 -9.863 10.517 116 H LEU 15 H LEU 15 -2.477 -6.997 5.954 117 HA LEU 15 HA LEU 15 -0.641 -5.218 7.072 118 1HB LEU 15 2HB LEU 15 0.023 -6.530 5.200 119 2HB LEU 15 1HB LEU 15 -1.282 -5.908 4.209 120 HG LEU 15 HG LEU 15 0.694 -3.927 5.194 121 1HD1 LEU 15 1HD1 LEU 15 1.924 -6.071 4.416 122 2HD1 LEU 15 2HD1 LEU 15 2.428 -4.507 3.779 123 3HD1 LEU 15 3HD1 LEU 15 1.416 -5.570 2.803 124 1HD2 LEU 15 1HD2 LEU 15 -1.014 -3.064 3.834 125 2HD2 LEU 15 2HD2 LEU 15 -0.887 -4.394 2.683 126 3HD2 LEU 15 3HD2 LEU 15 0.393 -3.185 2.779 127 H MET 16 H MET 16 -3.392 -4.604 4.909 128 HA MET 16 HA MET 16 -3.028 -1.835 4.607 129 1HB MET 16 2HB MET 16 -5.672 -3.303 4.628 130 2HB MET 16 1HB MET 16 -5.330 -1.757 3.864 131 1HG MET 16 2HG MET 16 -4.322 -4.469 3.052 132 2HG MET 16 1HG MET 16 -5.418 -3.415 2.165 133 1HE MET 16 1HE MET 16 -4.538 -0.943 1.160 134 2HE MET 16 2HE MET 16 -2.889 -0.393 1.459 135 3HE MET 16 3HE MET 16 -3.997 -0.640 2.808 136 H ARG 17 H ARG 17 -4.830 -3.703 7.028 137 HA ARG 17 HA ARG 17 -5.946 -1.464 8.357 138 1HB ARG 17 2HB ARG 17 -5.347 -4.128 9.641 139 2HB ARG 17 1HB ARG 17 -6.598 -2.975 10.083 140 1HG ARG 17 2HG ARG 17 -6.932 -3.773 7.348 141 2HG ARG 17 1HG ARG 17 -6.822 -5.193 8.390 142 1HD ARG 17 2HD ARG 17 -8.661 -4.508 9.691 143 2HD ARG 17 1HD ARG 17 -8.614 -2.869 9.043 144 HE ARG 17 HE ARG 17 -9.926 -3.575 7.323 145 1HH1 ARG 17 1HH1 ARG 17 -8.381 -6.392 8.718 146 2HH1 ARG 17 2HH1 ARG 17 -9.244 -7.513 7.720 147 1HH2 ARG 17 1HH2 ARG 17 -11.060 -5.057 6.011 148 2HH2 ARG 17 2HH2 ARG 17 -10.767 -6.754 6.182 149 H GLN 18 H GLN 18 -3.030 -3.408 8.985 150 HA GLN 18 HA GLN 18 -2.221 -2.096 11.329 151 1HB GLN 18 2HB GLN 18 -1.108 -4.030 9.514 152 2HB GLN 18 1HB GLN 18 0.117 -2.835 9.918 153 1HG GLN 18 2HG GLN 18 0.497 -4.133 11.691 154 2HG GLN 18 1HG GLN 18 -0.936 -3.358 12.365 155 1HE2 GLN 18 1HE2 GLN 18 0.211 -6.183 10.609 156 2HE2 GLN 18 2HE2 GLN 18 -1.069 -7.235 11.098 157 H LEU 19 H LEU 19 -1.469 -1.432 7.924 158 HA LEU 19 HA LEU 19 0.252 0.770 8.462 159 1HB LEU 19 2HB LEU 19 -1.127 -0.295 6.032 160 2HB LEU 19 1HB LEU 19 -0.372 1.286 5.972 161 HG LEU 19 HG LEU 19 1.287 -0.950 7.003 162 1HD1 LEU 19 1HD1 LEU 19 1.281 -0.688 4.072 163 2HD1 LEU 19 2HD1 LEU 19 -0.112 -1.514 4.772 164 3HD1 LEU 19 3HD1 LEU 19 1.518 -2.109 5.089 165 1HD2 LEU 19 1HD2 LEU 19 3.032 0.254 5.822 166 2HD2 LEU 19 2HD2 LEU 19 2.124 1.353 6.859 167 3HD2 LEU 19 3HD2 LEU 19 1.835 1.341 5.121 168 H GLN 20 H GLN 20 -3.207 0.460 7.820 169 HA GLN 20 HA GLN 20 -3.734 3.232 7.521 170 1HB GLN 20 2HB GLN 20 -5.387 0.793 7.988 171 2HB GLN 20 1HB GLN 20 -6.123 2.360 8.293 172 1HG GLN 20 2HG GLN 20 -5.395 3.002 5.955 173 2HG GLN 20 1HG GLN 20 -5.022 1.298 5.709 174 1HE2 GLN 20 1HE2 GLN 20 -7.273 3.547 5.114 175 2HE2 GLN 20 2HE2 GLN 20 -8.692 2.563 5.068 176 H ARG 21 H ARG 21 -3.640 1.070 10.307 177 HA ARG 21 HA ARG 21 -4.711 2.993 12.140 178 1HB ARG 21 2HB ARG 21 -3.894 0.224 12.220 179 2HB ARG 21 1HB ARG 21 -3.257 1.094 13.609 180 1HG ARG 21 2HG ARG 21 -5.434 1.750 14.302 181 2HG ARG 21 1HG ARG 21 -6.151 1.181 12.794 182 1HD ARG 21 2HD ARG 21 -6.384 -0.876 13.604 183 2HD ARG 21 1HD ARG 21 -4.691 -0.941 14.084 184 HE ARG 21 HE ARG 21 -5.309 -0.453 16.234 185 1HH1 ARG 21 1HH1 ARG 21 -8.018 0.233 14.116 186 2HH1 ARG 21 2HH1 ARG 21 -9.128 0.497 15.417 187 1HH2 ARG 21 1HH2 ARG 21 -6.783 -0.101 17.944 188 2HH2 ARG 21 2HH2 ARG 21 -8.427 0.310 17.590 189 H LYS 22 H LYS 22 -1.611 2.547 10.753 190 HA LYS 22 HA LYS 22 0.139 3.285 12.758 191 1HB LYS 22 2HB LYS 22 0.309 2.882 10.018 192 2HB LYS 22 1HB LYS 22 0.790 4.561 10.214 193 1HG LYS 22 2HG LYS 22 2.069 2.877 12.178 194 2HG LYS 22 1HG LYS 22 2.379 2.309 10.537 195 1HD LYS 22 2HD LYS 22 4.072 3.819 10.716 196 2HD LYS 22 1HD LYS 22 2.806 4.898 10.130 197 1HE LYS 22 2HE LYS 22 3.476 6.132 11.913 198 2HE LYS 22 1HE LYS 22 2.327 5.086 12.748 199 1HZ LYS 22 1HZ LYS 22 4.817 5.426 13.564 200 2HZ LYS 22 2HZ LYS 22 5.066 4.106 12.537 201 3HZ LYS 22 3HZ LYS 22 3.967 3.986 13.817 202 H ASP 23 H ASP 23 -0.896 5.641 10.262 203 HA ASP 23 HA ASP 23 -2.094 7.578 11.675 204 1HB ASP 23 2HB ASP 23 0.641 7.417 12.579 205 2HB ASP 23 1HB ASP 23 0.311 8.996 11.881 206 HA PRO 24 HA PRO 24 0.418 9.810 8.113 207 1HB PRO 24 2HB PRO 24 1.756 7.436 6.948 208 2HB PRO 24 1HB PRO 24 2.380 9.067 7.207 209 1HG PRO 24 2HG PRO 24 3.160 7.047 8.761 210 2HG PRO 24 1HG PRO 24 2.886 8.664 9.432 211 1HD PRO 24 2HD PRO 24 1.145 6.242 9.571 212 2HD PRO 24 1HD PRO 24 1.495 7.460 10.813 213 H SER 25 H SER 25 -1.032 6.640 7.903 214 HA SER 25 HA SER 25 -1.684 6.522 5.202 215 1HB SER 25 2HB SER 25 -3.554 5.046 5.897 216 2HB SER 25 1HB SER 25 -2.035 4.620 6.683 217 HG SER 25 HG SER 25 -4.354 5.737 7.758 218 H ALA 26 H ALA 26 -3.278 8.229 7.850 219 HA ALA 26 HA ALA 26 -5.704 8.888 6.720 220 1HB ALA 26 1HB ALA 26 -5.654 10.913 8.137 221 2HB ALA 26 2HB ALA 26 -3.951 10.601 8.477 222 3HB ALA 26 3HB ALA 26 -5.181 9.452 9.005 223 H PHE 27 H PHE 27 -2.551 10.283 6.050 224 HA PHE 27 HA PHE 27 -3.417 12.549 4.603 225 1HB PHE 27 2HB PHE 27 -0.831 10.988 4.485 226 2HB PHE 27 1HB PHE 27 -1.099 12.514 3.649 227 HD1 PHE 27 1HD PHE 27 -0.856 10.935 6.982 228 HD2 PHE 27 2HD PHE 27 -0.972 14.576 4.784 229 HE1 PHE 27 1HE PHE 27 -0.166 12.165 8.995 230 HE2 PHE 27 2HE PHE 27 -0.279 15.814 6.795 231 HZ PHE 27 HZ PHE 27 0.126 14.609 8.905 232 H PHE 28 H PHE 28 -2.950 9.193 3.707 233 HA PHE 28 HA PHE 28 -4.236 9.689 1.150 234 1HB PHE 28 2HB PHE 28 -2.412 8.111 0.104 235 2HB PHE 28 1HB PHE 28 -2.123 9.839 0.233 236 HD1 PHE 28 2HD PHE 28 -1.938 7.413 3.016 237 HD2 PHE 28 1HD PHE 28 0.225 9.842 0.278 238 HE1 PHE 28 2HE PHE 28 0.135 6.967 4.267 239 HE2 PHE 28 1HE PHE 28 2.303 9.401 1.520 240 HZ PHE 28 HZ PHE 28 2.261 7.962 3.518 241 H SER 29 H SER 29 -5.696 8.572 2.873 242 HA SER 29 HA SER 29 -5.453 5.651 2.518 243 1HB SER 29 2HB SER 29 -5.160 6.058 4.832 244 2HB SER 29 1HB SER 29 -6.445 7.262 4.869 245 HG SER 29 HG SER 29 -7.895 5.722 5.036 246 H PHE 30 H PHE 30 -7.220 8.323 1.603 247 HA PHE 30 HA PHE 30 -9.523 6.654 0.907 248 1HB PHE 30 2HB PHE 30 -10.577 7.835 2.559 249 2HB PHE 30 1HB PHE 30 -9.462 9.186 2.459 250 HD1 PHE 30 2HD PHE 30 -9.773 10.912 0.735 251 HD2 PHE 30 1HD PHE 30 -12.631 7.829 1.375 252 HE1 PHE 30 2HE PHE 30 -11.462 12.229 -0.483 253 HE2 PHE 30 1HE PHE 30 -14.325 9.137 0.163 254 HZ PHE 30 HZ PHE 30 -13.740 11.340 -0.768 255 HA PRO 31 HA PRO 31 -8.805 7.903 -3.275 256 1HB PRO 31 2HB PRO 31 -11.756 8.366 -3.365 257 2HB PRO 31 1HB PRO 31 -10.727 7.442 -4.466 258 1HG PRO 31 2HG PRO 31 -12.262 6.203 -2.685 259 2HG PRO 31 1HG PRO 31 -10.633 5.610 -3.057 260 1HD PRO 31 2HD PRO 31 -11.615 7.073 -0.655 261 2HD PRO 31 1HD PRO 31 -10.349 5.840 -0.787 262 H VAL 32 H VAL 32 -7.787 9.833 -3.404 263 HA VAL 32 HA VAL 32 -8.605 12.252 -2.340 264 HB VAL 32 HB VAL 32 -7.044 13.353 -3.897 265 1HG1 VAL 32 1HG1 VAL 32 -5.261 12.692 -2.690 266 2HG1 VAL 32 2HG1 VAL 32 -5.515 10.984 -3.051 267 3HG1 VAL 32 3HG1 VAL 32 -6.469 11.772 -1.793 268 1HG2 VAL 32 1HG2 VAL 32 -7.637 11.248 -5.552 269 2HG2 VAL 32 2HG2 VAL 32 -5.999 10.884 -5.009 270 3HG2 VAL 32 3HG2 VAL 32 -6.348 12.425 -5.795 271 H THR 33 H THR 33 -9.067 14.289 -3.593 272 HA THR 33 HA THR 33 -10.943 13.825 -5.806 273 HB THR 33 HB THR 33 -11.696 16.000 -3.966 274 HG1 THR 33 1HG THR 33 -11.191 14.585 -2.363 275 1HG2 THR 33 1HG2 THR 33 -13.684 13.968 -4.401 276 2HG2 THR 33 2HG2 THR 33 -12.963 14.498 -5.921 277 3HG2 THR 33 3HG2 THR 33 -13.700 15.676 -4.834 278 H ASP 34 H ASP 34 -11.750 16.429 -6.234 279 HA ASP 34 HA ASP 34 -9.509 17.510 -7.609 280 1HB ASP 34 2HB ASP 34 -12.231 17.690 -7.875 281 2HB ASP 34 1HB ASP 34 -11.816 19.285 -7.255 282 H PHE 35 H PHE 35 -10.295 17.735 -4.375 283 HA PHE 35 HA PHE 35 -8.808 20.260 -4.129 284 1HB PHE 35 2HB PHE 35 -10.195 20.933 -2.250 285 2HB PHE 35 1HB PHE 35 -11.201 20.663 -3.665 286 HD1 PHE 35 1HD PHE 35 -12.368 18.366 -3.839 287 HD2 PHE 35 2HD PHE 35 -10.713 19.914 -0.233 288 HE1 PHE 35 1HE PHE 35 -13.784 16.835 -2.534 289 HE2 PHE 35 2HE PHE 35 -12.126 18.382 1.075 290 HZ PHE 35 HZ PHE 35 -13.664 16.841 -0.074 291 H ILE 36 H ILE 36 -9.720 17.187 -2.641 292 HA ILE 36 HA ILE 36 -8.060 17.338 -0.386 293 HB ILE 36 HB ILE 36 -9.222 15.020 -1.912 294 1HG1 ILE 36 2HG1 ILE 36 -9.756 16.171 0.835 295 2HG1 ILE 36 1HG1 ILE 36 -10.754 16.408 -0.596 296 1HG2 ILE 36 1HG2 ILE 36 -8.501 13.582 -0.010 297 2HG2 ILE 36 2HG2 ILE 36 -7.470 14.908 0.529 298 3HG2 ILE 36 3HG2 ILE 36 -7.185 14.150 -1.037 299 1HD1 ILE 36 1HD1 ILE 36 -11.250 14.563 1.276 300 2HD1 ILE 36 2HD1 ILE 36 -10.255 13.613 0.173 301 3HD1 ILE 36 3HD1 ILE 36 -11.725 14.392 -0.414 302 H ALA 37 H ALA 37 -7.438 16.360 -3.713 303 HA ALA 37 HA ALA 37 -4.673 15.654 -3.036 304 1HB ALA 37 1HB ALA 37 -6.529 14.927 -5.203 305 2HB ALA 37 2HB ALA 37 -5.241 13.990 -4.446 306 3HB ALA 37 3HB ALA 37 -4.855 15.175 -5.693 307 HA PRO 38 HA PRO 38 -3.293 19.527 -4.713 308 1HB PRO 38 2HB PRO 38 -0.609 18.617 -4.935 309 2HB PRO 38 1HB PRO 38 -1.315 19.561 -3.625 310 1HG PRO 38 2HG PRO 38 -0.415 16.947 -3.415 311 2HG PRO 38 1HG PRO 38 -1.536 17.733 -2.295 312 1HD PRO 38 2HD PRO 38 -2.097 15.837 -4.528 313 2HD PRO 38 1HD PRO 38 -2.898 15.997 -2.949 314 H GLY 39 H GLY 39 -3.608 16.904 -6.466 315 1HA GLY 39 2HA GLY 39 -3.938 17.418 -8.902 316 2HA GLY 39 1HA GLY 39 -2.276 17.993 -8.858 317 H TYR 40 H TYR 40 -3.567 15.136 -7.226 318 HA TYR 40 HA TYR 40 -1.493 13.436 -7.905 319 1HB TYR 40 2HB TYR 40 -4.284 13.052 -6.955 320 2HB TYR 40 1HB TYR 40 -3.491 11.645 -7.652 321 HD1 TYR 40 2HD TYR 40 -3.161 14.226 -5.009 322 HD2 TYR 40 1HD TYR 40 -1.929 10.389 -6.385 323 HE1 TYR 40 2HE TYR 40 -2.044 13.821 -2.861 324 HE2 TYR 40 1HE TYR 40 -0.805 9.978 -4.242 325 HH TYR 40 HH TYR 40 -1.295 11.105 -1.659 326 H SER 41 H SER 41 -4.676 13.702 -9.498 327 HA SER 41 HA SER 41 -4.075 11.873 -11.585 328 1HB SER 41 2HB SER 41 -6.372 12.973 -10.712 329 2HB SER 41 1HB SER 41 -6.076 14.000 -12.117 330 HG SER 41 HG SER 41 -6.302 11.172 -12.058 331 H MET 42 H MET 42 -3.650 15.355 -11.277 332 HA MET 42 HA MET 42 -3.142 15.864 -14.023 333 1HB MET 42 2HB MET 42 -3.616 17.429 -11.849 334 2HB MET 42 1HB MET 42 -1.890 17.676 -12.069 335 1HG MET 42 2HG MET 42 -2.326 19.150 -13.649 336 2HG MET 42 1HG MET 42 -3.057 17.874 -14.621 337 1HE MET 42 1HE MET 42 -6.333 17.499 -13.081 338 2HE MET 42 2HE MET 42 -5.213 17.019 -14.355 339 3HE MET 42 3HE MET 42 -6.495 18.179 -14.698 340 H ILE 43 H ILE 43 -1.186 14.434 -11.601 341 HA ILE 43 HA ILE 43 1.219 14.882 -13.250 342 HB ILE 43 HB ILE 43 1.329 15.910 -10.981 343 1HG1 ILE 43 2HG1 ILE 43 3.502 14.448 -10.371 344 2HG1 ILE 43 1HG1 ILE 43 3.227 13.871 -12.010 345 1HG2 ILE 43 1HG2 ILE 43 1.907 13.905 -9.247 346 2HG2 ILE 43 2HG2 ILE 43 0.601 13.183 -10.181 347 3HG2 ILE 43 3HG2 ILE 43 0.348 14.718 -9.358 348 1HD1 ILE 43 1HD1 ILE 43 4.437 16.292 -11.135 349 2HD1 ILE 43 2HD1 ILE 43 3.004 16.673 -12.091 350 3HD1 ILE 43 3HD1 ILE 43 4.274 15.657 -12.773 351 H ILE 44 H ILE 44 -0.758 12.572 -11.535 352 HA ILE 44 HA ILE 44 0.649 10.412 -12.872 353 HB ILE 44 HB ILE 44 0.935 10.926 -10.135 354 1HG1 ILE 44 2HG1 ILE 44 1.734 8.286 -10.623 355 2HG1 ILE 44 1HG1 ILE 44 1.868 9.106 -12.170 356 1HG2 ILE 44 1HG2 ILE 44 -0.753 8.464 -10.542 357 2HG2 ILE 44 2HG2 ILE 44 -1.251 9.935 -9.706 358 3HG2 ILE 44 3HG2 ILE 44 0.045 8.944 -9.046 359 1HD1 ILE 44 1HD1 ILE 44 3.005 10.350 -9.710 360 2HD1 ILE 44 2HD1 ILE 44 3.457 10.578 -11.400 361 3HD1 ILE 44 3HD1 ILE 44 3.883 9.084 -10.568 362 H LYS 45 H LYS 45 -0.714 9.410 -14.037 363 HA LYS 45 HA LYS 45 -3.433 9.682 -14.175 364 1HB LYS 45 2HB LYS 45 -1.498 7.659 -15.137 365 2HB LYS 45 1HB LYS 45 -3.190 7.185 -15.151 366 1HG LYS 45 2HG LYS 45 -3.676 8.513 -16.882 367 2HG LYS 45 1HG LYS 45 -2.702 9.846 -16.256 368 1HD LYS 45 2HD LYS 45 -0.838 7.921 -16.982 369 2HD LYS 45 1HD LYS 45 -2.052 7.850 -18.260 370 1HE LYS 45 2HE LYS 45 -1.786 10.156 -18.759 371 2HE LYS 45 1HE LYS 45 -0.825 10.428 -17.306 372 1HZ LYS 45 1HZ LYS 45 0.756 8.715 -18.395 373 2HZ LYS 45 2HZ LYS 45 0.767 10.315 -18.944 374 3HZ LYS 45 3HZ LYS 45 -0.047 9.125 -19.828 375 H HIS 46 H HIS 46 -1.931 6.678 -12.901 376 HA HIS 46 HA HIS 46 -4.317 6.365 -11.200 377 1HB HIS 46 2HB HIS 46 -2.926 4.535 -12.980 378 2HB HIS 46 1HB HIS 46 -3.097 3.868 -11.361 379 HD1 HIS 46 1HD HIS 46 -4.632 2.965 -14.052 380 HD2 HIS 46 2HD HIS 46 -6.180 5.183 -10.895 381 HE1 HIS 46 1HE HIS 46 -7.122 2.627 -14.149 382 HE2 HIS 46 2HE HIS 46 -8.033 3.939 -12.202 383 HA PRO 47 HA PRO 47 -1.033 6.741 -8.042 384 1HB PRO 47 2HB PRO 47 -2.521 8.047 -6.225 385 2HB PRO 47 1HB PRO 47 -1.803 8.878 -7.609 386 1HG PRO 47 2HG PRO 47 -4.617 7.994 -7.179 387 2HG PRO 47 1HG PRO 47 -4.003 9.456 -7.971 388 1HD PRO 47 2HD PRO 47 -4.889 7.179 -9.287 389 2HD PRO 47 1HD PRO 47 -3.834 8.420 -9.987 390 H MET 48 H MET 48 -4.364 5.685 -7.728 391 HA MET 48 HA MET 48 -5.433 4.184 -6.411 392 1HB MET 48 2HB MET 48 -3.211 2.953 -7.627 393 2HB MET 48 1HB MET 48 -3.283 2.324 -5.987 394 1HG MET 48 2HG MET 48 -4.648 0.834 -7.014 395 2HG MET 48 1HG MET 48 -5.840 2.057 -6.584 396 1HE MET 48 1HE MET 48 -7.701 1.377 -9.031 397 2HE MET 48 2HE MET 48 -6.714 0.167 -8.211 398 3HE MET 48 3HE MET 48 -6.668 0.296 -9.969 399 H ASP 49 H ASP 49 -5.738 5.394 -4.539 400 HA ASP 49 HA ASP 49 -3.802 5.681 -2.489 401 1HB ASP 49 2HB ASP 49 -6.816 5.853 -2.257 402 2HB ASP 49 1HB ASP 49 -5.645 6.499 -1.111 403 H PHE 50 H PHE 50 -4.388 4.930 -0.168 404 HA PHE 50 HA PHE 50 -4.051 2.159 -0.003 405 1HB PHE 50 2HB PHE 50 -4.140 4.354 1.812 406 2HB PHE 50 1HB PHE 50 -5.207 3.103 2.436 407 HD1 PHE 50 1HD PHE 50 -1.818 3.330 0.875 408 HD2 PHE 50 2HD PHE 50 -4.279 1.627 3.900 409 HE1 PHE 50 1HE PHE 50 0.122 2.110 1.765 410 HE2 PHE 50 2HE PHE 50 -2.343 0.404 4.794 411 HZ PHE 50 HZ PHE 50 -0.137 0.645 3.725 412 H SER 51 H SER 51 -6.986 4.126 0.157 413 HA SER 51 HA SER 51 -8.692 1.987 0.984 414 1HB SER 51 2HB SER 51 -9.677 4.010 1.490 415 2HB SER 51 1HB SER 51 -9.092 4.783 0.020 416 HG SER 51 HG SER 51 -11.292 3.029 0.332 417 H THR 52 H THR 52 -7.844 3.420 -2.148 418 HA THR 52 HA THR 52 -9.687 2.023 -3.732 419 HB THR 52 HB THR 52 -6.982 2.578 -4.853 420 HG1 THR 52 1HG THR 52 -8.751 4.626 -3.994 421 1HG2 THR 52 1HG2 THR 52 -9.138 1.955 -6.145 422 2HG2 THR 52 2HG2 THR 52 -8.079 3.222 -6.763 423 3HG2 THR 52 3HG2 THR 52 -9.557 3.650 -5.901 424 H MET 53 H MET 53 -6.315 1.230 -2.900 425 HA MET 53 HA MET 53 -6.238 -1.224 -4.293 426 1HB MET 53 2HB MET 53 -4.236 -1.718 -2.934 427 2HB MET 53 1HB MET 53 -4.187 -0.112 -3.641 428 1HG MET 53 2HG MET 53 -4.968 0.791 -1.452 429 2HG MET 53 1HG MET 53 -4.772 -0.828 -0.784 430 1HE MET 53 1HE MET 53 -2.919 -2.113 -0.730 431 2HE MET 53 2HE MET 53 -1.505 -1.413 0.059 432 3HE MET 53 3HE MET 53 -1.453 -1.801 -1.661 433 H LYS 54 H LYS 54 -7.094 -0.414 -0.946 434 HA LYS 54 HA LYS 54 -7.334 -3.015 0.060 435 1HB LYS 54 2HB LYS 54 -7.627 -0.533 1.126 436 2HB LYS 54 1HB LYS 54 -9.305 -1.051 1.051 437 1HG LYS 54 2HG LYS 54 -7.216 -2.819 2.260 438 2HG LYS 54 1HG LYS 54 -7.946 -1.509 3.190 439 1HD LYS 54 2HD LYS 54 -9.625 -3.533 1.740 440 2HD LYS 54 1HD LYS 54 -9.001 -3.843 3.361 441 1HE LYS 54 2HE LYS 54 -10.039 -1.447 3.816 442 2HE LYS 54 1HE LYS 54 -11.056 -1.897 2.448 443 1HZ LYS 54 1HZ LYS 54 -12.289 -2.814 4.076 444 2HZ LYS 54 2HZ LYS 54 -10.989 -2.980 5.144 445 3HZ LYS 54 3HZ LYS 54 -11.212 -4.109 3.904 446 H GLU 55 H GLU 55 -9.708 -0.966 -1.604 447 HA GLU 55 HA GLU 55 -11.917 -2.696 -1.332 448 1HB GLU 55 2HB GLU 55 -11.683 -0.205 -2.229 449 2HB GLU 55 1HB GLU 55 -11.626 -1.020 -3.785 450 1HG GLU 55 2HG GLU 55 -13.765 -2.235 -2.735 451 2HG GLU 55 1HG GLU 55 -13.862 -0.691 -1.890 452 H LYS 56 H LYS 56 -9.342 -2.477 -3.731 453 HA LYS 56 HA LYS 56 -10.400 -4.357 -5.560 454 1HB LYS 56 2HB LYS 56 -7.732 -3.113 -5.086 455 2HB LYS 56 1HB LYS 56 -7.803 -4.552 -6.090 456 1HG LYS 56 2HG LYS 56 -9.787 -3.084 -7.194 457 2HG LYS 56 1HG LYS 56 -8.695 -1.810 -6.644 458 1HD LYS 56 2HD LYS 56 -6.843 -2.914 -7.825 459 2HD LYS 56 1HD LYS 56 -7.959 -4.148 -8.404 460 1HE LYS 56 2HE LYS 56 -8.699 -1.335 -8.929 461 2HE LYS 56 1HE LYS 56 -7.312 -1.964 -9.817 462 1HZ LYS 56 1HZ LYS 56 -10.129 -2.698 -10.008 463 2HZ LYS 56 2HZ LYS 56 -9.004 -3.948 -10.201 464 3HZ LYS 56 3HZ LYS 56 -8.952 -2.597 -11.220 465 H ILE 57 H ILE 57 -8.197 -4.671 -2.789 466 HA ILE 57 HA ILE 57 -7.486 -7.357 -3.160 467 HB ILE 57 HB ILE 57 -7.821 -5.970 -0.493 468 1HG1 ILE 57 2HG1 ILE 57 -5.153 -6.244 -1.776 469 2HG1 ILE 57 1HG1 ILE 57 -6.229 -5.025 -2.444 470 1HG2 ILE 57 1HG2 ILE 57 -6.684 -8.556 -1.359 471 2HG2 ILE 57 2HG2 ILE 57 -7.446 -8.103 0.165 472 3HG2 ILE 57 3HG2 ILE 57 -5.770 -7.658 -0.148 473 1HD1 ILE 57 1HD1 ILE 57 -6.276 -4.767 0.374 474 2HD1 ILE 57 2HD1 ILE 57 -5.647 -3.639 -0.827 475 3HD1 ILE 57 3HD1 ILE 57 -4.593 -4.877 -0.142 476 H LYS 58 H LYS 58 -10.267 -5.907 -1.517 477 HA LYS 58 HA LYS 58 -11.319 -8.225 -0.354 478 1HB LYS 58 2HB LYS 58 -12.001 -5.718 -0.108 479 2HB LYS 58 1HB LYS 58 -13.104 -6.071 -1.432 480 1HG LYS 58 2HG LYS 58 -14.005 -7.959 -0.040 481 2HG LYS 58 1HG LYS 58 -13.047 -7.326 1.299 482 1HD LYS 58 2HD LYS 58 -14.914 -6.143 1.747 483 2HD LYS 58 1HD LYS 58 -14.307 -5.075 0.480 484 1HE LYS 58 2HE LYS 58 -16.623 -5.541 0.047 485 2HE LYS 58 1HE LYS 58 -15.645 -6.355 -1.171 486 1HZ LYS 58 1HZ LYS 58 -16.500 -7.798 1.257 487 2HZ LYS 58 2HZ LYS 58 -16.072 -8.420 -0.257 488 3HZ LYS 58 3HZ LYS 58 -17.556 -7.635 -0.055 489 H ASN 59 H ASN 59 -11.287 -7.225 -3.679 490 HA ASN 59 HA ASN 59 -13.348 -9.188 -4.391 491 1HB ASN 59 2HB ASN 59 -12.170 -6.795 -5.728 492 2HB ASN 59 1HB ASN 59 -12.786 -8.090 -6.747 493 1HD2 ASN 59 1HD2 ASN 59 -13.624 -5.742 -4.285 494 2HD2 ASN 59 2HD2 ASN 59 -15.322 -5.738 -4.602 495 H ASN 60 H ASN 60 -10.437 -9.705 -3.569 496 HA ASN 60 HA ASN 60 -8.784 -11.162 -4.076 497 1HB ASN 60 2HB ASN 60 -11.108 -12.328 -5.116 498 2HB ASN 60 1HB ASN 60 -9.912 -12.468 -6.404 499 1HD2 ASN 60 1HD2 ASN 60 -9.784 -12.652 -2.857 500 2HD2 ASN 60 2HD2 ASN 60 -8.976 -14.179 -2.798 501 H ASP 61 H ASP 61 -9.120 -8.545 -5.530 502 HA ASP 61 HA ASP 61 -7.941 -8.939 -8.119 503 1HB ASP 61 2HB ASP 61 -9.332 -6.897 -7.006 504 2HB ASP 61 1HB ASP 61 -7.689 -6.300 -6.796 505 H TYR 62 H TYR 62 -6.831 -8.183 -4.880 506 HA TYR 62 HA TYR 62 -4.050 -8.372 -5.823 507 1HB TYR 62 2HB TYR 62 -5.214 -6.687 -3.604 508 2HB TYR 62 1HB TYR 62 -3.488 -6.946 -3.815 509 HD1 TYR 62 2HD TYR 62 -2.861 -6.602 -6.512 510 HD2 TYR 62 1HD TYR 62 -5.898 -4.604 -4.301 511 HE1 TYR 62 2HE TYR 62 -2.769 -4.725 -8.094 512 HE2 TYR 62 1HE TYR 62 -5.814 -2.721 -5.879 513 HH TYR 62 HH TYR 62 -5.121 -2.256 -8.168 514 H GLN 63 H GLN 63 -3.456 -10.397 -5.360 515 HA GLN 63 HA GLN 63 -3.563 -11.262 -2.584 516 1HB GLN 63 2HB GLN 63 -4.385 -13.454 -3.125 517 2HB GLN 63 1HB GLN 63 -5.505 -12.275 -3.789 518 1HG GLN 63 2HG GLN 63 -5.142 -12.923 -5.897 519 2HG GLN 63 1HG GLN 63 -3.408 -13.113 -5.647 520 1HE2 GLN 63 1HE2 GLN 63 -6.512 -14.660 -5.521 521 2HE2 GLN 63 2HE2 GLN 63 -5.928 -16.275 -5.340 522 H SER 64 H SER 64 -1.623 -10.294 -4.721 523 HA SER 64 HA SER 64 0.342 -12.444 -4.381 524 1HB SER 64 2HB SER 64 0.729 -10.637 -6.689 525 2HB SER 64 1HB SER 64 0.958 -12.380 -6.571 526 HG SER 64 HG SER 64 -1.047 -12.700 -7.211 527 H ILE 65 H ILE 65 2.277 -11.838 -3.636 528 HA ILE 65 HA ILE 65 2.618 -9.513 -2.191 529 HB ILE 65 HB ILE 65 5.107 -10.047 -2.333 530 1HG1 ILE 65 2HG1 ILE 65 4.912 -12.745 -3.094 531 2HG1 ILE 65 1HG1 ILE 65 4.109 -11.837 -4.368 532 1HG2 ILE 65 1HG2 ILE 65 3.916 -10.716 -0.423 533 2HG2 ILE 65 2HG2 ILE 65 4.793 -12.147 -0.962 534 3HG2 ILE 65 3HG2 ILE 65 3.071 -11.989 -1.303 535 1HD1 ILE 65 1HD1 ILE 65 6.809 -11.020 -3.389 536 2HD1 ILE 65 2HD1 ILE 65 6.037 -10.691 -4.940 537 3HD1 ILE 65 3HD1 ILE 65 6.621 -12.315 -4.573 538 H GLU 66 H GLU 66 3.671 -10.233 -5.507 539 HA GLU 66 HA GLU 66 5.017 -7.757 -5.900 540 1HB GLU 66 2HB GLU 66 5.257 -9.957 -7.227 541 2HB GLU 66 1HB GLU 66 3.834 -9.420 -8.110 542 1HG GLU 66 2HG GLU 66 5.232 -8.364 -9.468 543 2HG GLU 66 1HG GLU 66 5.486 -7.214 -8.156 544 H GLU 67 H GLU 67 1.730 -8.898 -6.535 545 HA GLU 67 HA GLU 67 0.856 -6.658 -8.022 546 1HB GLU 67 2HB GLU 67 -0.196 -9.070 -7.538 547 2HB GLU 67 1HB GLU 67 -1.094 -8.145 -6.343 548 1HG GLU 67 2HG GLU 67 -2.487 -8.053 -8.156 549 2HG GLU 67 1HG GLU 67 -1.583 -6.550 -8.328 550 H LEU 68 H LEU 68 0.517 -7.468 -4.565 551 HA LEU 68 HA LEU 68 -0.890 -5.091 -3.896 552 1HB LEU 68 2HB LEU 68 -0.691 -5.754 -1.641 553 2HB LEU 68 1HB LEU 68 -0.875 -7.227 -2.570 554 HG LEU 68 HG LEU 68 1.799 -7.158 -2.459 555 1HD1 LEU 68 1HD1 LEU 68 1.669 -6.448 0.283 556 2HD1 LEU 68 2HD1 LEU 68 1.018 -5.107 -0.660 557 3HD1 LEU 68 3HD1 LEU 68 2.637 -5.720 -1.000 558 1HD2 LEU 68 1HD2 LEU 68 1.579 -8.598 -0.405 559 2HD2 LEU 68 2HD2 LEU 68 0.575 -9.061 -1.776 560 3HD2 LEU 68 3HD2 LEU 68 -0.138 -8.202 -0.411 561 H LYS 69 H LYS 69 2.533 -5.981 -3.847 562 HA LYS 69 HA LYS 69 3.411 -3.615 -2.538 563 1HB LYS 69 2HB LYS 69 4.654 -5.896 -2.947 564 2HB LYS 69 1HB LYS 69 5.172 -5.118 -4.438 565 1HG LYS 69 2HG LYS 69 5.683 -3.198 -2.543 566 2HG LYS 69 1HG LYS 69 6.068 -4.701 -1.701 567 1HD LYS 69 2HD LYS 69 8.060 -4.528 -2.716 568 2HD LYS 69 1HD LYS 69 7.211 -5.117 -4.145 569 1HE LYS 69 2HE LYS 69 7.575 -3.201 -5.209 570 2HE LYS 69 1HE LYS 69 6.830 -2.287 -3.898 571 1HZ LYS 69 1HZ LYS 69 8.940 -1.444 -3.888 572 2HZ LYS 69 2HZ LYS 69 9.665 -2.897 -4.360 573 3HZ LYS 69 3HZ LYS 69 9.132 -2.698 -2.768 574 H ASP 70 H ASP 70 2.969 -4.533 -5.925 575 HA ASP 70 HA ASP 70 4.239 -2.336 -7.121 576 1HB ASP 70 2HB ASP 70 3.317 -4.484 -8.236 577 2HB ASP 70 1HB ASP 70 1.780 -3.628 -8.292 578 H ASN 71 H ASN 71 0.859 -2.810 -6.150 579 HA ASN 71 HA ASN 71 -0.021 -0.266 -7.050 580 1HB ASN 71 2HB ASN 71 -1.327 -2.488 -6.387 581 2HB ASN 71 1HB ASN 71 -1.461 -1.655 -4.841 582 1HD2 ASN 71 1HD2 ASN 71 -1.727 -0.813 -8.292 583 2HD2 ASN 71 2HD2 ASN 71 -3.203 0.067 -8.130 584 H PHE 72 H PHE 72 0.803 -1.484 -3.787 585 HA PHE 72 HA PHE 72 0.322 0.925 -2.415 586 1HB PHE 72 2HB PHE 72 0.521 -1.026 -1.095 587 2HB PHE 72 1HB PHE 72 2.055 -1.470 -1.826 588 HD1 PHE 72 1HD PHE 72 0.968 1.774 -0.357 589 HD2 PHE 72 2HD PHE 72 3.550 -1.599 -0.069 590 HE1 PHE 72 1HE PHE 72 2.159 2.847 1.509 591 HE2 PHE 72 2HE PHE 72 4.744 -0.531 1.798 592 HZ PHE 72 HZ PHE 72 4.049 1.695 2.589 593 H LYS 73 H LYS 73 3.293 -0.393 -3.844 594 HA LYS 73 HA LYS 73 4.991 1.731 -3.107 595 1HB LYS 73 2HB LYS 73 5.688 -0.559 -3.926 596 2HB LYS 73 1HB LYS 73 5.288 -0.021 -5.551 597 1HG LYS 73 2HG LYS 73 7.166 1.632 -3.944 598 2HG LYS 73 1HG LYS 73 7.744 0.105 -4.613 599 1HD LYS 73 2HD LYS 73 6.232 1.810 -6.479 600 2HD LYS 73 1HD LYS 73 7.780 2.465 -5.943 601 1HE LYS 73 2HE LYS 73 8.622 0.036 -6.508 602 2HE LYS 73 1HE LYS 73 7.193 0.017 -7.541 603 1HZ LYS 73 1HZ LYS 73 9.580 1.737 -7.716 604 2HZ LYS 73 2HZ LYS 73 8.113 2.256 -8.378 605 3HZ LYS 73 3HZ LYS 73 8.828 0.827 -8.930 606 H LEU 74 H LEU 74 2.863 1.245 -5.895 607 HA LEU 74 HA LEU 74 3.826 3.315 -7.520 608 1HB LEU 74 2HB LEU 74 1.517 1.584 -7.445 609 2HB LEU 74 1HB LEU 74 1.037 3.211 -7.891 610 HG LEU 74 HG LEU 74 3.312 1.837 -9.291 611 1HD1 LEU 74 1HD1 LEU 74 1.407 1.431 -11.054 612 2HD1 LEU 74 2HD1 LEU 74 0.388 1.389 -9.616 613 3HD1 LEU 74 3HD1 LEU 74 1.732 0.258 -9.778 614 1HD2 LEU 74 1HD2 LEU 74 2.999 3.434 -10.957 615 2HD2 LEU 74 2HD2 LEU 74 2.776 4.345 -9.462 616 3HD2 LEU 74 3HD2 LEU 74 1.372 3.834 -10.402 617 H MET 75 H MET 75 1.282 3.367 -5.012 618 HA MET 75 HA MET 75 0.647 6.106 -5.367 619 1HB MET 75 2HB MET 75 -0.632 4.206 -4.072 620 2HB MET 75 1HB MET 75 0.320 4.779 -2.708 621 1HG MET 75 2HG MET 75 -0.731 7.077 -3.922 622 2HG MET 75 1HG MET 75 -2.044 5.902 -3.880 623 1HE MET 75 1HE MET 75 1.000 6.321 -1.595 624 2HE MET 75 2HE MET 75 0.346 7.011 -0.111 625 3HE MET 75 3HE MET 75 0.498 8.011 -1.554 626 H CYS 76 H CYS 76 2.898 4.412 -3.219 627 HA CYS 76 HA CYS 76 3.689 6.624 -1.681 628 1HB CYS 76 2HB CYS 76 4.624 3.897 -2.123 629 2HB CYS 76 1HB CYS 76 5.952 5.021 -1.851 630 HG CYS 76 HG CYS 76 4.585 5.672 0.418 631 H THR 77 H THR 77 4.988 5.313 -4.722 632 HA THR 77 HA THR 77 7.108 7.205 -4.909 633 HB THR 77 HB THR 77 5.858 5.688 -7.203 634 HG1 THR 77 1HG THR 77 7.655 4.820 -5.207 635 1HG2 THR 77 1HG2 THR 77 7.977 7.475 -7.160 636 2HG2 THR 77 2HG2 THR 77 7.576 6.328 -8.437 637 3HG2 THR 77 3HG2 THR 77 8.728 5.882 -7.180 638 H ASN 78 H ASN 78 3.925 6.984 -6.520 639 HA ASN 78 HA ASN 78 4.142 9.327 -8.035 640 1HB ASN 78 2HB ASN 78 1.633 8.061 -6.910 641 2HB ASN 78 1HB ASN 78 1.707 9.206 -8.236 642 1HD2 ASN 78 1HD2 ASN 78 0.424 7.130 -8.950 643 2HD2 ASN 78 2HD2 ASN 78 1.343 5.998 -9.857 644 H ALA 79 H ALA 79 2.919 8.794 -4.747 645 HA ALA 79 HA ALA 79 2.011 11.461 -4.349 646 1HB ALA 79 1HB ALA 79 1.319 9.407 -3.031 647 2HB ALA 79 2HB ALA 79 1.647 10.865 -2.096 648 3HB ALA 79 3HB ALA 79 2.846 9.571 -2.161 649 H MET 80 H MET 80 5.043 9.768 -3.604 650 HA MET 80 HA MET 80 6.256 11.887 -2.177 651 1HB MET 80 2HB MET 80 7.156 9.348 -3.399 652 2HB MET 80 1HB MET 80 8.394 10.579 -3.196 653 1HG MET 80 2HG MET 80 7.902 10.716 -0.824 654 2HG MET 80 1HG MET 80 6.616 9.524 -1.009 655 1HE MET 80 1HE MET 80 10.119 10.133 -2.233 656 2HE MET 80 2HE MET 80 9.977 8.640 -3.164 657 3HE MET 80 3HE MET 80 11.053 8.712 -1.768 658 H ILE 81 H ILE 81 6.507 10.910 -5.605 659 HA ILE 81 HA ILE 81 8.327 12.880 -6.389 660 HB ILE 81 HB ILE 81 7.730 10.956 -7.807 661 1HG1 ILE 81 2HG1 ILE 81 7.478 12.329 -9.981 662 2HG1 ILE 81 1HG1 ILE 81 7.513 13.739 -8.930 663 1HG2 ILE 81 1HG2 ILE 81 5.143 12.440 -8.218 664 2HG2 ILE 81 2HG2 ILE 81 5.363 10.837 -7.519 665 3HG2 ILE 81 3HG2 ILE 81 5.695 11.106 -9.228 666 1HD1 ILE 81 1HD1 ILE 81 9.685 12.221 -8.118 667 2HD1 ILE 81 2HD1 ILE 81 9.717 13.677 -9.113 668 3HD1 ILE 81 3HD1 ILE 81 9.676 12.089 -9.877 669 H TYR 82 H TYR 82 4.803 13.036 -6.054 670 HA TYR 82 HA TYR 82 4.846 15.820 -6.973 671 1HB TYR 82 2HB TYR 82 3.054 13.914 -7.560 672 2HB TYR 82 1HB TYR 82 2.298 14.551 -6.103 673 HD1 TYR 82 1HD TYR 82 4.182 16.342 -8.787 674 HD2 TYR 82 2HD TYR 82 0.440 15.750 -6.844 675 HE1 TYR 82 1HE TYR 82 3.213 18.180 -10.099 676 HE2 TYR 82 2HE TYR 82 -0.533 17.584 -8.158 677 HH TYR 82 HH TYR 82 0.815 18.829 -10.878 678 H ASN 83 H ASN 83 6.081 15.124 -4.451 679 HA ASN 83 HA ASN 83 4.885 17.129 -2.821 680 1HB ASN 83 2HB ASN 83 3.689 14.712 -2.460 681 2HB ASN 83 1HB ASN 83 4.983 14.614 -1.270 682 1HD2 ASN 83 1HD2 ASN 83 1.864 15.416 -1.636 683 2HD2 ASN 83 2HD2 ASN 83 1.696 16.586 -0.376 684 H LYS 84 H LYS 84 6.953 18.011 -2.962 685 HA LYS 84 HA LYS 84 9.329 16.633 -2.251 686 1HB LYS 84 2HB LYS 84 8.550 19.402 -2.899 687 2HB LYS 84 1HB LYS 84 9.924 19.271 -1.812 688 1HG LYS 84 2HG LYS 84 10.742 17.528 -3.618 689 2HG LYS 84 1HG LYS 84 9.665 18.467 -4.656 690 1HD LYS 84 2HD LYS 84 10.947 20.488 -3.495 691 2HD LYS 84 1HD LYS 84 12.202 19.260 -3.327 692 1HE LYS 84 2HE LYS 84 10.855 20.047 -5.911 693 2HE LYS 84 1HE LYS 84 12.448 20.587 -5.386 694 1HZ LYS 84 1HZ LYS 84 13.382 18.606 -5.876 695 2HZ LYS 84 2HZ LYS 84 12.086 18.492 -6.955 696 3HZ LYS 84 3HZ LYS 84 12.013 17.706 -5.460 697 HA PRO 85 HA PRO 85 9.537 16.812 2.151 698 1HB PRO 85 2HB PRO 85 11.884 18.134 2.698 699 2HB PRO 85 1HB PRO 85 11.788 16.443 2.202 700 1HG PRO 85 2HG PRO 85 12.382 18.871 0.560 701 2HG PRO 85 1HG PRO 85 13.149 17.272 0.512 702 1HD PRO 85 2HD PRO 85 11.333 18.011 -1.316 703 2HD PRO 85 1HD PRO 85 11.420 16.342 -0.721 704 H GLU 86 H GLU 86 7.677 18.325 1.987 705 HA GLU 86 HA GLU 86 8.176 21.133 2.457 706 1HB GLU 86 2HB GLU 86 5.854 19.426 1.854 707 2HB GLU 86 1HB GLU 86 5.502 20.766 2.936 708 1HG GLU 86 2HG GLU 86 6.736 22.194 1.163 709 2HG GLU 86 1HG GLU 86 6.441 20.817 0.102 710 H THR 87 H THR 87 6.414 18.609 4.271 711 HA THR 87 HA THR 87 7.450 19.731 6.762 712 HB THR 87 HB THR 87 4.870 19.192 7.498 713 HG1 THR 87 1HG THR 87 4.331 18.986 5.220 714 1HG2 THR 87 1HG2 THR 87 6.480 21.392 7.529 715 2HG2 THR 87 2HG2 THR 87 4.827 21.323 8.137 716 3HG2 THR 87 3HG2 THR 87 5.142 21.919 6.507 717 H ILE 88 H ILE 88 4.784 17.428 6.389 718 HA ILE 88 HA ILE 88 6.582 15.285 7.314 719 HB ILE 88 HB ILE 88 3.693 15.533 8.148 720 1HG1 ILE 88 2HG1 ILE 88 5.071 15.994 10.435 721 2HG1 ILE 88 1HG1 ILE 88 6.139 16.773 9.273 722 1HG2 ILE 88 1HG2 ILE 88 4.890 14.023 10.028 723 2HG2 ILE 88 2HG2 ILE 88 5.873 13.606 8.625 724 3HG2 ILE 88 3HG2 ILE 88 4.128 13.360 8.582 725 1HD1 ILE 88 1HD1 ILE 88 3.644 17.696 8.564 726 2HD1 ILE 88 2HD1 ILE 88 4.850 18.561 9.517 727 3HD1 ILE 88 3HD1 ILE 88 3.584 17.638 10.325 728 H TYR 89 H TYR 89 4.804 16.259 4.740 729 HA TYR 89 HA TYR 89 3.283 13.965 4.082 730 1HB TYR 89 2HB TYR 89 4.372 16.271 2.490 731 2HB TYR 89 1HB TYR 89 3.594 14.917 1.681 732 HD1 TYR 89 2HD TYR 89 2.978 17.324 4.476 733 HD2 TYR 89 1HD TYR 89 1.316 15.005 1.319 734 HE1 TYR 89 2HE TYR 89 0.779 18.340 4.896 735 HE2 TYR 89 1HE TYR 89 -0.887 16.014 1.730 736 HH TYR 89 HH TYR 89 -1.949 17.217 4.113 737 H TYR 90 H TYR 90 6.565 15.000 3.183 738 HA TYR 90 HA TYR 90 7.169 12.773 1.549 739 1HB TYR 90 2HB TYR 90 8.479 14.844 1.460 740 2HB TYR 90 1HB TYR 90 9.033 14.583 3.110 741 HD1 TYR 90 1HD TYR 90 8.985 12.795 -0.178 742 HD2 TYR 90 2HD TYR 90 11.131 13.656 3.397 743 HE1 TYR 90 1HE TYR 90 10.916 11.539 -1.039 744 HE2 TYR 90 2HE TYR 90 13.065 12.404 2.545 745 HH TYR 90 HH TYR 90 13.493 10.577 0.890 746 H LYS 91 H LYS 91 7.720 13.423 4.999 747 HA LYS 91 HA LYS 91 9.103 11.002 5.525 748 1HB LYS 91 2HB LYS 91 8.013 13.231 7.102 749 2HB LYS 91 1HB LYS 91 8.003 11.685 7.939 750 1HG LYS 91 2HG LYS 91 10.440 11.471 7.309 751 2HG LYS 91 1HG LYS 91 10.361 13.161 6.811 752 1HD LYS 91 2HD LYS 91 11.106 13.344 8.988 753 2HD LYS 91 1HD LYS 91 9.363 13.530 9.188 754 1HE LYS 91 2HE LYS 91 9.338 10.993 9.567 755 2HE LYS 91 1HE LYS 91 11.081 11.142 9.782 756 1HZ LYS 91 1HZ LYS 91 10.829 12.370 11.697 757 2HZ LYS 91 2HZ LYS 91 9.533 11.292 11.826 758 3HZ LYS 91 3HZ LYS 91 9.262 12.879 11.312 759 H ALA 92 H ALA 92 5.694 11.938 5.684 760 HA ALA 92 HA ALA 92 4.677 9.697 7.004 761 1HB ALA 92 1HB ALA 92 3.151 11.424 6.762 762 2HB ALA 92 2HB ALA 92 2.568 10.240 5.594 763 3HB ALA 92 3HB ALA 92 3.500 11.633 5.046 764 H ALA 93 H ALA 93 5.279 10.231 3.544 765 HA ALA 93 HA ALA 93 4.230 7.737 2.681 766 1HB ALA 93 1HB ALA 93 4.841 9.943 1.356 767 2HB ALA 93 2HB ALA 93 4.843 8.363 0.572 768 3HB ALA 93 3HB ALA 93 6.361 9.084 1.103 769 H LYS 94 H LYS 94 7.510 8.834 3.493 770 HA LYS 94 HA LYS 94 8.827 6.441 2.762 771 1HB LYS 94 2HB LYS 94 9.539 8.965 3.928 772 2HB LYS 94 1HB LYS 94 10.283 7.670 4.856 773 1HG LYS 94 2HG LYS 94 10.865 6.835 2.372 774 2HG LYS 94 1HG LYS 94 10.807 8.578 2.101 775 1HD LYS 94 2HD LYS 94 12.502 8.981 3.700 776 2HD LYS 94 1HD LYS 94 12.386 7.343 4.346 777 1HE LYS 94 2HE LYS 94 13.813 6.545 2.826 778 2HE LYS 94 1HE LYS 94 12.973 7.352 1.505 779 1HZ LYS 94 1HZ LYS 94 14.206 9.415 2.668 780 2HZ LYS 94 2HZ LYS 94 14.871 8.523 1.396 781 3HZ LYS 94 3HZ LYS 94 15.320 8.183 2.990 782 H LYS 95 H LYS 95 7.598 7.604 5.897 783 HA LYS 95 HA LYS 95 8.490 5.439 7.448 784 1HB LYS 95 2HB LYS 95 6.931 7.772 7.863 785 2HB LYS 95 1HB LYS 95 5.990 6.414 8.468 786 1HG LYS 95 2HG LYS 95 7.170 6.922 10.340 787 2HG LYS 95 1HG LYS 95 8.291 5.778 9.599 788 1HD LYS 95 2HD LYS 95 9.299 7.885 8.468 789 2HD LYS 95 1HD LYS 95 8.449 8.767 9.738 790 1HE LYS 95 2HE LYS 95 10.046 6.442 10.611 791 2HE LYS 95 1HE LYS 95 10.959 7.817 9.992 792 1HZ LYS 95 1HZ LYS 95 9.257 9.048 11.630 793 2HZ LYS 95 2HZ LYS 95 10.782 8.502 12.114 794 3HZ LYS 95 3HZ LYS 95 9.410 7.568 12.436 795 H LEU 96 H LEU 96 5.379 5.973 5.797 796 HA LEU 96 HA LEU 96 4.164 3.565 6.625 797 1HB LEU 96 2HB LEU 96 3.349 5.761 5.214 798 2HB LEU 96 1HB LEU 96 3.417 4.546 3.953 799 HG LEU 96 HG LEU 96 2.046 3.166 5.814 800 1HD1 LEU 96 1HD1 LEU 96 0.697 4.422 7.171 801 2HD1 LEU 96 2HD1 LEU 96 0.822 5.858 6.156 802 3HD1 LEU 96 3HD1 LEU 96 2.170 5.391 7.192 803 1HD2 LEU 96 1HD2 LEU 96 0.131 3.528 4.498 804 2HD2 LEU 96 2HD2 LEU 96 1.493 3.737 3.397 805 3HD2 LEU 96 3HD2 LEU 96 0.651 5.148 4.038 806 H LEU 97 H LEU 97 6.340 4.331 3.968 807 HA LEU 97 HA LEU 97 6.008 1.997 2.439 808 1HB LEU 97 2HB LEU 97 7.515 4.267 2.214 809 2HB LEU 97 1HB LEU 97 8.744 3.068 2.570 810 HG LEU 97 HG LEU 97 6.748 2.759 0.329 811 1HD1 LEU 97 1HD1 LEU 97 9.548 3.878 0.240 812 2HD1 LEU 97 2HD1 LEU 97 8.053 4.753 -0.097 813 3HD1 LEU 97 3HD1 LEU 97 8.574 3.453 -1.168 814 1HD2 LEU 97 1HD2 LEU 97 8.855 1.308 -0.404 815 2HD2 LEU 97 2HD2 LEU 97 7.566 0.656 0.608 816 3HD2 LEU 97 3HD2 LEU 97 9.068 1.215 1.345 817 H HIS 98 H HIS 98 8.245 2.726 5.110 818 HA HIS 98 HA HIS 98 9.586 0.237 5.071 819 1HB HIS 98 2HB HIS 98 9.469 2.573 6.851 820 2HB HIS 98 1HB HIS 98 9.791 1.054 7.682 821 HD1 HIS 98 1HD HIS 98 11.442 3.691 5.836 822 HD2 HIS 98 2HD HIS 98 12.115 -0.354 6.517 823 HE1 HIS 98 1HE HIS 98 13.860 3.304 5.262 824 HE2 HIS 98 2HE HIS 98 14.261 0.864 5.744 825 H SER 99 H SER 99 6.659 1.358 6.671 826 HA SER 99 HA SER 99 6.335 -0.895 8.373 827 1HB SER 99 2HB SER 99 4.256 1.050 7.329 828 2HB SER 99 1HB SER 99 4.020 -0.084 8.658 829 HG SER 99 HG SER 99 5.862 1.039 9.664 830 H GLY 100 H GLY 100 5.116 -0.068 5.143 831 1HA GLY 100 2HA GLY 100 3.442 -2.335 4.858 832 2HA GLY 100 1HA GLY 100 4.045 -1.330 3.551 833 H MET 101 H MET 101 6.764 -1.710 3.700 834 HA MET 101 HA MET 101 7.107 -4.128 2.356 835 1HB MET 101 2HB MET 101 9.547 -3.694 2.620 836 2HB MET 101 1HB MET 101 8.648 -2.345 1.959 837 1HG MET 101 2HG MET 101 9.948 -1.239 3.444 838 2HG MET 101 1HG MET 101 8.580 -1.610 4.488 839 1HE MET 101 1HE MET 101 12.777 -3.003 4.376 840 2HE MET 101 2HE MET 101 11.693 -2.853 2.993 841 3HE MET 101 3HE MET 101 11.869 -4.405 3.814 842 H LYS 102 H LYS 102 7.649 -3.328 5.777 843 HA LYS 102 HA LYS 102 8.896 -5.799 6.415 844 1HB LYS 102 2HB LYS 102 8.543 -5.211 8.744 845 2HB LYS 102 1HB LYS 102 9.135 -3.823 7.842 846 1HG LYS 102 2HG LYS 102 7.206 -2.655 8.104 847 2HG LYS 102 1HG LYS 102 6.202 -4.103 8.155 848 1HD LYS 102 2HD LYS 102 7.143 -4.600 10.400 849 2HD LYS 102 1HD LYS 102 7.976 -3.045 10.344 850 1HE LYS 102 2HE LYS 102 6.135 -2.226 11.320 851 2HE LYS 102 1HE LYS 102 5.405 -2.348 9.719 852 1HZ LYS 102 1HZ LYS 102 5.344 -4.730 11.419 853 2HZ LYS 102 2HZ LYS 102 4.207 -4.169 10.302 854 3HZ LYS 102 3HZ LYS 102 4.313 -3.452 11.827 855 H ILE 103 H ILE 103 5.518 -4.728 6.448 856 HA ILE 103 HA ILE 103 4.505 -7.086 7.692 857 HB ILE 103 HB ILE 103 3.014 -5.166 5.899 858 1HG1 ILE 103 2HG1 ILE 103 2.819 -5.116 8.881 859 2HG1 ILE 103 1HG1 ILE 103 4.213 -4.355 8.120 860 1HG2 ILE 103 1HG2 ILE 103 1.059 -6.009 7.302 861 2HG2 ILE 103 2HG2 ILE 103 2.127 -7.323 7.793 862 3HG2 ILE 103 3HG2 ILE 103 1.713 -7.113 6.092 863 1HD1 ILE 103 1HD1 ILE 103 2.577 -2.678 8.470 864 2HD1 ILE 103 2HD1 ILE 103 1.311 -3.668 7.743 865 3HD1 ILE 103 3HD1 ILE 103 2.608 -3.017 6.740 866 H LEU 104 H LEU 104 5.133 -6.135 4.359 867 HA LEU 104 HA LEU 104 3.725 -8.109 2.997 868 1HB LEU 104 2HB LEU 104 5.870 -6.256 2.411 869 2HB LEU 104 1HB LEU 104 6.110 -7.778 1.575 870 HG LEU 104 HG LEU 104 3.371 -6.801 1.350 871 1HD1 LEU 104 1HD1 LEU 104 3.842 -4.638 1.058 872 2HD1 LEU 104 2HD1 LEU 104 4.516 -5.139 -0.492 873 3HD1 LEU 104 3HD1 LEU 104 5.574 -4.935 0.905 874 1HD2 LEU 104 1HD2 LEU 104 5.099 -7.128 -1.014 875 2HD2 LEU 104 2HD2 LEU 104 3.505 -7.794 -0.669 876 3HD2 LEU 104 3HD2 LEU 104 4.941 -8.549 0.019 877 H SER 105 H SER 105 6.793 -8.321 4.709 878 HA SER 105 HA SER 105 7.340 -10.978 3.681 879 1HB SER 105 2HB SER 105 9.390 -10.879 4.946 880 2HB SER 105 1HB SER 105 9.171 -9.325 4.142 881 HG SER 105 HG SER 105 9.790 -9.254 6.423 882 H GLN 106 H GLN 106 5.092 -10.025 5.766 883 HA GLN 106 HA GLN 106 5.582 -12.169 7.713 884 1HB GLN 106 2HB GLN 106 3.848 -9.709 7.826 885 2HB GLN 106 1HB GLN 106 3.701 -11.021 8.986 886 1HG GLN 106 2HG GLN 106 6.122 -10.696 9.528 887 2HG GLN 106 1HG GLN 106 6.086 -9.253 8.515 888 1HE2 GLN 106 1HE2 GLN 106 6.830 -8.504 10.771 889 2HE2 GLN 106 2HE2 GLN 106 5.581 -7.900 11.800 890 H GLU 107 H GLU 107 3.556 -11.245 5.072 891 HA GLU 107 HA GLU 107 1.198 -12.613 5.660 892 1HB GLU 107 2HB GLU 107 2.465 -12.322 2.930 893 2HB GLU 107 1HB GLU 107 0.769 -12.638 3.268 894 1HG GLU 107 2HG GLU 107 0.570 -10.448 4.329 895 2HG GLU 107 1HG GLU 107 2.272 -10.132 3.995 896 H ARG 108 H ARG 108 4.287 -13.815 4.472 897 HA ARG 108 HA ARG 108 3.182 -16.509 4.167 898 1HB ARG 108 2HB ARG 108 4.829 -15.293 2.525 899 2HB ARG 108 1HB ARG 108 6.057 -15.825 3.663 900 1HG ARG 108 2HG ARG 108 5.244 -18.154 3.360 901 2HG ARG 108 1HG ARG 108 4.154 -17.561 2.107 902 1HD ARG 108 2HD ARG 108 6.725 -16.542 1.522 903 2HD ARG 108 1HD ARG 108 6.922 -18.251 1.909 904 HE ARG 108 HE ARG 108 5.782 -18.797 -0.009 905 1HH1 ARG 108 1HH1 ARG 108 5.435 -15.363 0.591 906 2HH1 ARG 108 2HH1 ARG 108 4.722 -15.039 -0.952 907 1HH2 ARG 108 1HH2 ARG 108 4.841 -18.362 -2.045 908 2HH2 ARG 108 2HH2 ARG 108 4.385 -16.742 -2.450 909 H LEU 109 H LEU 109 3.438 -15.300 6.818 910 HA LEU 109 HA LEU 109 5.685 -16.645 8.070 911 1HB LEU 109 2HB LEU 109 4.883 -14.378 8.786 912 2HB LEU 109 1HB LEU 109 3.418 -15.136 9.380 913 HG LEU 109 HG LEU 109 5.986 -16.216 10.406 914 1HD1 LEU 109 1HD1 LEU 109 6.585 -14.456 11.711 915 2HD1 LEU 109 2HD1 LEU 109 4.950 -13.800 11.778 916 3HD1 LEU 109 3HD1 LEU 109 5.937 -13.564 10.335 917 1HD2 LEU 109 1HD2 LEU 109 3.169 -15.923 11.267 918 2HD2 LEU 109 2HD2 LEU 109 4.398 -15.880 12.529 919 3HD2 LEU 109 3HD2 LEU 109 4.282 -17.276 11.460 920 H GLU 110 H GLU 110 5.207 -18.814 7.661 921 HA GLU 110 HA GLU 110 3.040 -19.913 9.321 922 1HB GLU 110 2HB GLU 110 3.006 -19.934 6.576 923 2HB GLU 110 1HB GLU 110 3.735 -21.492 6.942 924 1HG GLU 110 2HG GLU 110 1.521 -22.048 6.878 925 2HG GLU 110 1HG GLU 110 1.730 -21.717 8.596 926 H HIS 111 H HIS 111 3.473 -22.534 9.169 927 HA HIS 111 HA HIS 111 6.173 -23.377 9.259 928 1HB HIS 111 2HB HIS 111 5.227 -22.102 11.633 929 2HB HIS 111 1HB HIS 111 5.419 -23.818 11.975 930 HD1 HIS 111 1HD HIS 111 7.327 -20.711 11.376 931 HD2 HIS 111 2HD HIS 111 8.096 -24.783 11.681 932 HE1 HIS 111 1HE HIS 111 9.811 -20.904 11.712 933 HE2 HIS 111 2HE HIS 111 10.267 -23.381 11.759 934 H HIS 112 H HIS 112 2.927 -23.923 10.598 935 HA HIS 112 HA HIS 112 3.265 -26.812 10.216 936 1HB HIS 112 2HB HIS 112 2.358 -25.631 12.393 937 2HB HIS 112 1HB HIS 112 0.843 -25.604 11.498 938 HD1 HIS 112 1HD HIS 112 -0.310 -27.882 11.052 939 HD2 HIS 112 2HD HIS 112 3.183 -28.148 13.284 940 HE1 HIS 112 1HE HIS 112 -0.302 -30.205 12.008 941 HE2 HIS 112 2HE HIS 112 1.774 -30.312 13.431 942 H HIS 113 H HIS 113 1.415 -28.019 9.292 943 HA HIS 113 HA HIS 113 0.384 -26.620 6.948 944 1HB HIS 113 2HB HIS 113 1.455 -29.114 7.255 945 2HB HIS 113 1HB HIS 113 -0.266 -29.475 7.286 946 HD1 HIS 113 1HD HIS 113 -1.617 -29.000 5.111 947 HD2 HIS 113 2HD HIS 113 2.473 -28.342 4.781 948 HE1 HIS 113 1HE HIS 113 -1.156 -28.847 2.643 949 HE2 HIS 113 2HE HIS 113 1.318 -28.407 2.469 950 H HIS 114 H HIS 114 -0.770 -26.192 9.686 951 HA HIS 114 HA HIS 114 -3.557 -26.655 8.941 952 1HB HIS 114 2HB HIS 114 -2.235 -27.665 11.443 953 2HB HIS 114 1HB HIS 114 -3.936 -27.220 11.466 954 HD1 HIS 114 1HD HIS 114 -1.604 -29.602 9.655 955 HD2 HIS 114 2HD HIS 114 -5.628 -29.158 10.589 956 HE1 HIS 114 1HE HIS 114 -2.701 -31.747 8.938 957 HE2 HIS 114 2HE HIS 114 -5.126 -31.481 9.573 958 H HIS 115 H HIS 115 -3.200 -24.317 8.492 959 HA HIS 115 HA HIS 115 -3.891 -22.754 10.862 960 1HB HIS 115 2HB HIS 115 -1.333 -22.668 10.141 961 2HB HIS 115 1HB HIS 115 -1.948 -21.510 8.968 962 HD1 HIS 115 1HD HIS 115 -0.137 -20.150 10.694 963 HD2 HIS 115 2HD HIS 115 -4.020 -20.887 11.977 964 HE1 HIS 115 1HE HIS 115 -0.557 -18.504 12.547 965 HE2 HIS 115 2HE HIS 115 -2.963 -18.869 13.197 966 H HIS 116 H HIS 116 -5.409 -21.219 10.483 967 HA HIS 116 HA HIS 116 -5.950 -20.384 7.733 968 1HB HIS 116 2HB HIS 116 -7.774 -21.963 9.468 969 2HB HIS 116 1HB HIS 116 -8.494 -20.641 8.556 970 HD1 HIS 116 1HD HIS 116 -7.212 -24.074 8.208 971 HD2 HIS 116 2HD HIS 116 -8.273 -20.932 5.706 972 HE1 HIS 116 1HE HIS 116 -7.447 -25.088 5.919 973 HE2 HIS 116 2HE HIS 116 -7.988 -23.148 4.405 Start of MODEL 13 1 1H MET 0 1HT MET 0 -7.472 -25.271 -11.363 2 2H MET 0 2HT MET 0 -8.973 -25.786 -10.710 3 3H MET 0 3HT MET 0 -8.193 -26.727 -11.912 4 HA MET 0 HA MET 0 -8.039 -27.522 -9.569 5 1HB MET 0 2HB MET 0 -6.320 -27.593 -11.772 6 2HB MET 0 1HB MET 0 -5.266 -27.250 -10.408 7 1HG MET 0 2HG MET 0 -5.402 -29.334 -9.659 8 2HG MET 0 1HG MET 0 -7.157 -29.354 -9.804 9 1HE MET 0 1HE MET 0 -3.866 -31.024 -11.613 10 2HE MET 0 2HE MET 0 -3.933 -29.262 -11.650 11 3HE MET 0 3HE MET 0 -4.169 -30.186 -13.134 12 H GLU 1 H GLU 1 -8.379 -24.725 -9.070 13 HA GLU 1 HA GLU 1 -6.775 -24.440 -6.752 14 1HB GLU 1 2HB GLU 1 -5.611 -23.437 -9.130 15 2HB GLU 1 1HB GLU 1 -6.150 -22.041 -8.209 16 1HG GLU 1 2HG GLU 1 -4.674 -22.404 -6.519 17 2HG GLU 1 1HG GLU 1 -4.658 -24.150 -6.758 18 H GLU 2 H GLU 2 -8.948 -24.322 -5.982 19 HA GLU 2 HA GLU 2 -10.059 -21.609 -6.184 20 1HB GLU 2 2HB GLU 2 -11.298 -24.029 -7.086 21 2HB GLU 2 1HB GLU 2 -12.204 -23.409 -5.711 22 1HG GLU 2 2HG GLU 2 -11.920 -21.139 -7.095 23 2HG GLU 2 1HG GLU 2 -11.868 -22.295 -8.424 24 H VAL 3 H VAL 3 -10.967 -20.781 -4.316 25 HA VAL 3 HA VAL 3 -11.350 -20.490 -2.098 26 HB VAL 3 HB VAL 3 -11.283 -23.487 -1.759 27 1HG1 VAL 3 1HG1 VAL 3 -12.146 -21.180 -0.125 28 2HG1 VAL 3 2HG1 VAL 3 -11.496 -22.745 0.365 29 3HG1 VAL 3 3HG1 VAL 3 -13.191 -22.602 -0.097 30 1HG2 VAL 3 1HG2 VAL 3 -13.290 -21.750 -3.076 31 2HG2 VAL 3 2HG2 VAL 3 -13.902 -22.988 -1.978 32 3HG2 VAL 3 3HG2 VAL 3 -12.900 -23.448 -3.355 33 H GLU 4 H GLU 4 -8.544 -21.236 -3.314 34 HA GLU 4 HA GLU 4 -7.183 -21.748 -0.759 35 1HB GLU 4 2HB GLU 4 -6.616 -22.464 -3.556 36 2HB GLU 4 1HB GLU 4 -5.221 -21.883 -2.655 37 1HG GLU 4 2HG GLU 4 -6.138 -23.603 -0.859 38 2HG GLU 4 1HG GLU 4 -6.820 -24.353 -2.300 39 H GLN 5 H GLN 5 -8.197 -19.162 -2.392 40 HA GLN 5 HA GLN 5 -5.729 -17.609 -2.098 41 1HB GLN 5 2HB GLN 5 -8.338 -16.904 -3.451 42 2HB GLN 5 1HB GLN 5 -6.917 -15.874 -3.389 43 1HG GLN 5 2HG GLN 5 -5.796 -17.086 -4.947 44 2HG GLN 5 1HG GLN 5 -6.567 -18.601 -4.483 45 1HE2 GLN 5 1HE2 GLN 5 -8.899 -18.781 -5.038 46 2HE2 GLN 5 2HE2 GLN 5 -9.415 -18.116 -6.547 47 H THR 6 H THR 6 -8.798 -18.139 -0.642 48 HA THR 6 HA THR 6 -9.443 -15.756 0.537 49 HB THR 6 HB THR 6 -10.007 -17.550 2.550 50 HG1 THR 6 1HG THR 6 -10.358 -19.501 1.678 51 1HG2 THR 6 1HG2 THR 6 -12.004 -17.921 0.604 52 2HG2 THR 6 2HG2 THR 6 -11.427 -16.261 0.451 53 3HG2 THR 6 3HG2 THR 6 -12.025 -16.848 2.004 54 HA PRO 7 HA PRO 7 -6.582 -16.885 4.401 55 1HB PRO 7 2HB PRO 7 -4.332 -18.281 3.498 56 2HB PRO 7 1HB PRO 7 -5.656 -18.947 4.454 57 1HG PRO 7 2HG PRO 7 -5.188 -19.079 1.515 58 2HG PRO 7 1HG PRO 7 -5.880 -20.298 2.602 59 1HD PRO 7 2HD PRO 7 -7.428 -18.855 0.965 60 2HD PRO 7 1HD PRO 7 -7.973 -19.288 2.601 61 H LEU 8 H LEU 8 -5.083 -16.679 1.178 62 HA LEU 8 HA LEU 8 -2.958 -14.983 1.900 63 1HB LEU 8 2HB LEU 8 -4.131 -16.002 -0.554 64 2HB LEU 8 1HB LEU 8 -3.585 -14.347 -0.739 65 HG LEU 8 HG LEU 8 -1.471 -15.606 0.559 66 1HD1 LEU 8 1HD1 LEU 8 -1.179 -17.441 -1.361 67 2HD1 LEU 8 2HD1 LEU 8 -2.930 -17.507 -1.170 68 3HD1 LEU 8 3HD1 LEU 8 -1.881 -17.801 0.216 69 1HD2 LEU 8 1HD2 LEU 8 -0.688 -15.591 -2.032 70 2HD2 LEU 8 2HD2 LEU 8 -0.720 -14.165 -0.995 71 3HD2 LEU 8 3HD2 LEU 8 -2.061 -14.486 -2.094 72 H GLN 9 H GLN 9 -6.221 -14.269 0.691 73 HA GLN 9 HA GLN 9 -5.922 -11.474 0.498 74 1HB GLN 9 2HB GLN 9 -7.781 -12.741 -0.528 75 2HB GLN 9 1HB GLN 9 -8.434 -13.061 1.073 76 1HG GLN 9 2HG GLN 9 -8.523 -10.515 1.336 77 2HG GLN 9 1HG GLN 9 -8.293 -10.461 -0.411 78 1HE2 GLN 9 1HE2 GLN 9 -10.184 -9.989 -1.301 79 2HE2 GLN 9 2HE2 GLN 9 -11.695 -10.731 -0.918 80 H GLU 10 H GLU 10 -6.735 -13.583 3.200 81 HA GLU 10 HA GLU 10 -7.654 -11.643 5.008 82 1HB GLU 10 2HB GLU 10 -6.217 -14.250 5.532 83 2HB GLU 10 1HB GLU 10 -7.010 -13.284 6.770 84 1HG GLU 10 2HG GLU 10 -8.593 -14.115 4.397 85 2HG GLU 10 1HG GLU 10 -8.216 -15.320 5.625 86 H ALA 11 H ALA 11 -4.389 -12.924 4.448 87 HA ALA 11 HA ALA 11 -3.098 -11.388 6.438 88 1HB ALA 11 1HB ALA 11 -1.778 -13.128 5.755 89 2HB ALA 11 2HB ALA 11 -1.067 -11.816 4.816 90 3HB ALA 11 3HB ALA 11 -2.203 -12.930 4.054 91 H LEU 12 H LEU 12 -3.903 -10.738 3.067 92 HA LEU 12 HA LEU 12 -2.313 -8.463 2.679 93 1HB LEU 12 2HB LEU 12 -4.403 -9.831 1.285 94 2HB LEU 12 1HB LEU 12 -4.737 -8.110 1.257 95 HG LEU 12 HG LEU 12 -1.963 -8.857 0.590 96 1HD1 LEU 12 1HD1 LEU 12 -3.126 -10.675 -0.507 97 2HD1 LEU 12 2HD1 LEU 12 -2.551 -9.512 -1.702 98 3HD1 LEU 12 3HD1 LEU 12 -4.254 -9.538 -1.246 99 1HD2 LEU 12 1HD2 LEU 12 -3.920 -7.102 -0.877 100 2HD2 LEU 12 2HD2 LEU 12 -2.158 -7.068 -0.947 101 3HD2 LEU 12 3HD2 LEU 12 -2.991 -6.552 0.518 102 H ASN 13 H ASN 13 -5.668 -8.743 3.866 103 HA ASN 13 HA ASN 13 -6.025 -5.943 4.164 104 1HB ASN 13 2HB ASN 13 -8.094 -6.412 5.207 105 2HB ASN 13 1HB ASN 13 -7.880 -7.660 3.989 106 1HD2 ASN 13 1HD2 ASN 13 -8.425 -9.616 4.630 107 2HD2 ASN 13 2HD2 ASN 13 -8.375 -10.208 6.253 108 H GLN 14 H GLN 14 -4.722 -8.441 6.257 109 HA GLN 14 HA GLN 14 -4.758 -6.973 8.675 110 1HB GLN 14 2HB GLN 14 -3.851 -9.521 7.822 111 2HB GLN 14 1HB GLN 14 -2.479 -8.719 8.572 112 1HG GLN 14 2HG GLN 14 -3.365 -9.675 10.416 113 2HG GLN 14 1HG GLN 14 -4.296 -8.180 10.429 114 1HE2 GLN 14 1HE2 GLN 14 -6.466 -8.225 9.740 115 2HE2 GLN 14 2HE2 GLN 14 -7.364 -9.700 9.696 116 H LEU 15 H LEU 15 -2.253 -7.359 6.171 117 HA LEU 15 HA LEU 15 -0.263 -5.807 7.404 118 1HB LEU 15 2HB LEU 15 0.541 -7.074 5.663 119 2HB LEU 15 1HB LEU 15 -0.831 -6.743 4.634 120 HG LEU 15 HG LEU 15 1.448 -5.833 3.925 121 1HD1 LEU 15 1HD1 LEU 15 -0.470 -3.577 4.039 122 2HD1 LEU 15 2HD1 LEU 15 -0.997 -5.075 3.269 123 3HD1 LEU 15 3HD1 LEU 15 0.437 -4.236 2.678 124 1HD2 LEU 15 1HD2 LEU 15 2.524 -4.282 5.102 125 2HD2 LEU 15 2HD2 LEU 15 1.487 -4.754 6.448 126 3HD2 LEU 15 3HD2 LEU 15 1.048 -3.381 5.436 127 H MET 16 H MET 16 -2.801 -4.910 5.083 128 HA MET 16 HA MET 16 -2.067 -2.172 4.937 129 1HB MET 16 2HB MET 16 -3.873 -3.811 3.605 130 2HB MET 16 1HB MET 16 -4.902 -2.672 4.464 131 1HG MET 16 2HG MET 16 -4.578 -1.559 2.499 132 2HG MET 16 1HG MET 16 -3.265 -0.895 3.470 133 1HE MET 16 1HE MET 16 -0.292 -1.468 2.226 134 2HE MET 16 2HE MET 16 -1.558 -0.285 2.554 135 3HE MET 16 3HE MET 16 -1.067 -0.613 0.893 136 H ARG 17 H ARG 17 -4.411 -3.942 6.936 137 HA ARG 17 HA ARG 17 -5.574 -1.684 8.167 138 1HB ARG 17 2HB ARG 17 -5.447 -4.597 8.767 139 2HB ARG 17 1HB ARG 17 -5.921 -3.522 10.073 140 1HG ARG 17 2HG ARG 17 -7.472 -2.628 8.011 141 2HG ARG 17 1HG ARG 17 -7.400 -4.365 7.703 142 1HD ARG 17 2HD ARG 17 -7.999 -3.328 10.449 143 2HD ARG 17 1HD ARG 17 -9.270 -3.412 9.230 144 HE ARG 17 HE ARG 17 -8.051 -5.612 10.631 145 1HH1 ARG 17 1HH1 ARG 17 -9.829 -4.674 7.765 146 2HH1 ARG 17 2HH1 ARG 17 -10.471 -6.257 7.493 147 1HH2 ARG 17 1HH2 ARG 17 -8.902 -7.699 10.269 148 2HH2 ARG 17 2HH2 ARG 17 -9.944 -7.977 8.915 149 H GLN 18 H GLN 18 -2.739 -3.639 8.990 150 HA GLN 18 HA GLN 18 -2.241 -2.474 11.512 151 1HB GLN 18 2HB GLN 18 -1.245 -4.619 10.514 152 2HB GLN 18 1HB GLN 18 -0.097 -3.565 9.700 153 1HG GLN 18 2HG GLN 18 0.606 -2.687 11.894 154 2HG GLN 18 1HG GLN 18 -0.494 -3.821 12.673 155 1HE2 GLN 18 1HE2 GLN 18 -0.156 -6.154 11.630 156 2HE2 GLN 18 2HE2 GLN 18 1.487 -6.685 11.661 157 H LEU 19 H LEU 19 -0.891 -1.748 8.283 158 HA LEU 19 HA LEU 19 0.684 0.433 9.219 159 1HB LEU 19 2HB LEU 19 1.043 0.970 6.865 160 2HB LEU 19 1HB LEU 19 1.317 -0.726 7.203 161 HG LEU 19 HG LEU 19 -1.103 -1.057 6.334 162 1HD1 LEU 19 1HD1 LEU 19 -0.747 1.768 5.929 163 2HD1 LEU 19 2HD1 LEU 19 -2.184 0.774 5.694 164 3HD1 LEU 19 3HD1 LEU 19 -1.012 0.951 4.390 165 1HD2 LEU 19 1HD2 LEU 19 1.293 -1.466 5.265 166 2HD2 LEU 19 2HD2 LEU 19 0.710 -0.242 4.138 167 3HD2 LEU 19 3HD2 LEU 19 -0.199 -1.736 4.365 168 H GLN 20 H GLN 20 -2.580 0.144 7.972 169 HA GLN 20 HA GLN 20 -3.059 2.882 7.470 170 1HB GLN 20 2HB GLN 20 -4.452 0.940 6.668 171 2HB GLN 20 1HB GLN 20 -5.108 0.821 8.294 172 1HG GLN 20 2HG GLN 20 -6.274 2.811 8.107 173 2HG GLN 20 1HG GLN 20 -5.254 3.401 6.796 174 1HE2 GLN 20 1HE2 GLN 20 -5.295 1.679 4.877 175 2HE2 GLN 20 2HE2 GLN 20 -6.892 1.280 4.351 176 H ARG 21 H ARG 21 -3.449 0.875 10.341 177 HA ARG 21 HA ARG 21 -4.727 2.868 11.925 178 1HB ARG 21 2HB ARG 21 -4.670 0.289 12.224 179 2HB ARG 21 1HB ARG 21 -3.156 0.579 13.067 180 1HG ARG 21 2HG ARG 21 -5.402 2.255 13.945 181 2HG ARG 21 1HG ARG 21 -5.589 0.526 14.241 182 1HD ARG 21 2HD ARG 21 -3.951 0.479 15.791 183 2HD ARG 21 1HD ARG 21 -2.953 1.645 14.926 184 HE ARG 21 HE ARG 21 -3.874 3.317 16.185 185 1HH1 ARG 21 1HH1 ARG 21 -5.885 0.464 16.497 186 2HH1 ARG 21 2HH1 ARG 21 -6.867 1.142 17.750 187 1HH2 ARG 21 1HH2 ARG 21 -5.177 4.205 17.836 188 2HH2 ARG 21 2HH2 ARG 21 -6.465 3.266 18.511 189 H LYS 22 H LYS 22 -1.462 2.391 10.993 190 HA LYS 22 HA LYS 22 0.051 3.168 13.130 191 1HB LYS 22 2HB LYS 22 0.723 2.596 10.678 192 2HB LYS 22 1HB LYS 22 0.632 4.332 10.425 193 1HG LYS 22 2HG LYS 22 2.730 4.455 11.125 194 2HG LYS 22 1HG LYS 22 2.153 4.030 12.739 195 1HD LYS 22 2HD LYS 22 2.599 1.817 10.807 196 2HD LYS 22 1HD LYS 22 4.022 2.618 11.476 197 1HE LYS 22 2HE LYS 22 1.814 1.706 13.278 198 2HE LYS 22 1HE LYS 22 3.010 0.552 12.693 199 1HZ LYS 22 1HZ LYS 22 3.974 3.054 13.874 200 2HZ LYS 22 2HZ LYS 22 4.665 1.511 13.903 201 3HZ LYS 22 3HZ LYS 22 3.361 1.871 14.915 202 H ASP 23 H ASP 23 -0.796 5.579 10.617 203 HA ASP 23 HA ASP 23 -2.139 7.446 12.003 204 1HB ASP 23 2HB ASP 23 -0.568 7.665 13.758 205 2HB ASP 23 1HB ASP 23 0.788 7.712 12.640 206 HA PRO 24 HA PRO 24 0.417 9.758 8.556 207 1HB PRO 24 2HB PRO 24 1.929 7.532 7.365 208 2HB PRO 24 1HB PRO 24 2.478 9.146 7.817 209 1HG PRO 24 2HG PRO 24 3.191 6.966 9.219 210 2HG PRO 24 1HG PRO 24 2.920 8.536 9.992 211 1HD PRO 24 2HD PRO 24 1.139 6.144 9.906 212 2HD PRO 24 1HD PRO 24 1.461 7.272 11.231 213 H SER 25 H SER 25 -0.532 6.380 8.102 214 HA SER 25 HA SER 25 -1.224 6.421 5.411 215 1HB SER 25 2HB SER 25 -1.176 4.329 6.596 216 2HB SER 25 1HB SER 25 -2.434 4.868 7.705 217 HG SER 25 HG SER 25 -3.915 4.802 6.021 218 H ALA 26 H ALA 26 -2.926 7.724 8.176 219 HA ALA 26 HA ALA 26 -5.510 7.957 7.233 220 1HB ALA 26 1HB ALA 26 -4.597 8.611 9.510 221 2HB ALA 26 2HB ALA 26 -5.841 9.659 8.829 222 3HB ALA 26 3HB ALA 26 -4.147 10.149 8.774 223 H PHE 27 H PHE 27 -2.679 9.840 6.347 224 HA PHE 27 HA PHE 27 -4.101 11.907 4.988 225 1HB PHE 27 2HB PHE 27 -1.246 11.055 5.183 226 2HB PHE 27 1HB PHE 27 -1.711 12.143 3.881 227 HD1 PHE 27 1HD PHE 27 -2.979 12.015 7.383 228 HD2 PHE 27 2HD PHE 27 -0.758 14.166 4.459 229 HE1 PHE 27 1HE PHE 27 -2.829 13.935 8.916 230 HE2 PHE 27 2HE PHE 27 -0.605 16.088 5.985 231 HZ PHE 27 HZ PHE 27 -1.640 15.974 8.216 232 H PHE 28 H PHE 28 -2.773 8.788 4.029 233 HA PHE 28 HA PHE 28 -3.802 9.251 1.303 234 1HB PHE 28 2HB PHE 28 -1.593 7.354 2.126 235 2HB PHE 28 1HB PHE 28 -2.139 7.674 0.485 236 HD1 PHE 28 2HD PHE 28 -2.028 10.207 -0.230 237 HD2 PHE 28 1HD PHE 28 0.260 8.464 2.907 238 HE1 PHE 28 2HE PHE 28 -0.387 12.027 -0.421 239 HE2 PHE 28 1HE PHE 28 1.906 10.283 2.722 240 HZ PHE 28 HZ PHE 28 1.584 12.069 1.055 241 H SER 29 H SER 29 -5.393 8.323 3.524 242 HA SER 29 HA SER 29 -5.824 5.494 2.875 243 1HB SER 29 2HB SER 29 -6.258 7.158 5.277 244 2HB SER 29 1HB SER 29 -7.535 5.989 4.940 245 HG SER 29 HG SER 29 -6.025 4.348 5.007 246 H PHE 30 H PHE 30 -6.701 7.920 1.253 247 HA PHE 30 HA PHE 30 -9.421 6.991 0.811 248 1HB PHE 30 2HB PHE 30 -8.816 9.481 2.115 249 2HB PHE 30 1HB PHE 30 -9.564 9.807 0.556 250 HD1 PHE 30 1HD PHE 30 -10.015 7.858 3.686 251 HD2 PHE 30 2HD PHE 30 -11.865 9.646 0.295 252 HE1 PHE 30 1HE PHE 30 -12.230 7.400 4.658 253 HE2 PHE 30 2HE PHE 30 -14.080 9.192 1.260 254 HZ PHE 30 HZ PHE 30 -14.267 8.069 3.443 255 HA PRO 31 HA PRO 31 -8.298 7.320 -3.438 256 1HB PRO 31 2HB PRO 31 -11.079 8.214 -3.948 257 2HB PRO 31 1HB PRO 31 -10.205 6.826 -4.602 258 1HG PRO 31 2HG PRO 31 -12.101 6.488 -2.767 259 2HG PRO 31 1HG PRO 31 -10.619 5.514 -2.734 260 1HD PRO 31 2HD PRO 31 -11.363 7.889 -1.063 261 2HD PRO 31 1HD PRO 31 -10.564 6.378 -0.580 262 H VAL 32 H VAL 32 -6.934 9.051 -3.652 263 HA VAL 32 HA VAL 32 -7.517 11.723 -3.230 264 HB VAL 32 HB VAL 32 -5.699 12.061 -5.148 265 1HG1 VAL 32 1HG1 VAL 32 -3.998 11.905 -3.421 266 2HG1 VAL 32 2HG1 VAL 32 -5.091 10.959 -2.410 267 3HG1 VAL 32 3HG1 VAL 32 -5.472 12.640 -2.786 268 1HG2 VAL 32 1HG2 VAL 32 -4.719 9.450 -4.200 269 2HG2 VAL 32 2HG2 VAL 32 -4.489 10.258 -5.751 270 3HG2 VAL 32 3HG2 VAL 32 -5.999 9.415 -5.410 271 H THR 33 H THR 33 -8.195 13.422 -4.479 272 HA THR 33 HA THR 33 -9.183 12.839 -7.174 273 HB THR 33 HB THR 33 -11.087 14.569 -6.040 274 HG1 THR 33 1HG THR 33 -10.773 12.301 -4.372 275 1HG2 THR 33 1HG2 THR 33 -11.054 11.847 -7.121 276 2HG2 THR 33 2HG2 THR 33 -12.129 13.203 -7.464 277 3HG2 THR 33 3HG2 THR 33 -12.389 12.212 -6.027 278 H ASP 34 H ASP 34 -10.338 15.216 -7.804 279 HA ASP 34 HA ASP 34 -8.084 16.902 -8.201 280 1HB ASP 34 2HB ASP 34 -10.463 16.531 -9.498 281 2HB ASP 34 1HB ASP 34 -10.729 18.079 -8.709 282 H PHE 35 H PHE 35 -10.098 16.584 -5.536 283 HA PHE 35 HA PHE 35 -9.551 19.349 -4.677 284 1HB PHE 35 2HB PHE 35 -11.924 19.105 -4.860 285 2HB PHE 35 1HB PHE 35 -11.890 17.533 -4.068 286 HD1 PHE 35 1HD PHE 35 -11.387 17.406 -1.629 287 HD2 PHE 35 2HD PHE 35 -12.084 21.099 -3.622 288 HE1 PHE 35 1HE PHE 35 -11.825 18.490 0.539 289 HE2 PHE 35 2HE PHE 35 -12.520 22.190 -1.460 290 HZ PHE 35 HZ PHE 35 -12.389 20.886 0.624 291 H ILE 36 H ILE 36 -9.862 15.964 -3.673 292 HA ILE 36 HA ILE 36 -8.876 16.295 -1.049 293 HB ILE 36 HB ILE 36 -9.174 13.934 -2.883 294 1HG1 ILE 36 2HG1 ILE 36 -10.369 14.513 -0.168 295 2HG1 ILE 36 1HG1 ILE 36 -11.132 14.960 -1.690 296 1HG2 ILE 36 1HG2 ILE 36 -7.187 13.381 -1.718 297 2HG2 ILE 36 2HG2 ILE 36 -8.504 12.498 -0.946 298 3HG2 ILE 36 3HG2 ILE 36 -7.850 13.948 -0.185 299 1HD1 ILE 36 1HD1 ILE 36 -10.673 12.328 -2.105 300 2HD1 ILE 36 2HD1 ILE 36 -12.172 12.996 -1.460 301 3HD1 ILE 36 3HD1 ILE 36 -10.949 12.357 -0.364 302 H ALA 37 H ALA 37 -7.319 15.781 -4.159 303 HA ALA 37 HA ALA 37 -4.683 15.840 -2.837 304 1HB ALA 37 1HB ALA 37 -4.714 14.987 -5.629 305 2HB ALA 37 2HB ALA 37 -5.647 13.938 -4.562 306 3HB ALA 37 3HB ALA 37 -3.945 14.249 -4.224 307 HA PRO 38 HA PRO 38 -3.794 19.646 -4.876 308 1HB PRO 38 2HB PRO 38 -1.144 19.482 -5.329 309 2HB PRO 38 1HB PRO 38 -1.814 19.691 -3.709 310 1HG PRO 38 2HG PRO 38 -0.834 17.205 -5.056 311 2HG PRO 38 1HG PRO 38 -0.585 17.744 -3.385 312 1HD PRO 38 2HD PRO 38 -2.438 15.879 -4.087 313 2HD PRO 38 1HD PRO 38 -2.636 16.967 -2.698 314 H GLY 39 H GLY 39 -3.745 16.881 -6.525 315 1HA GLY 39 2HA GLY 39 -4.476 17.351 -8.939 316 2HA GLY 39 1HA GLY 39 -2.876 18.068 -9.066 317 H TYR 40 H TYR 40 -3.697 15.156 -7.253 318 HA TYR 40 HA TYR 40 -1.576 13.638 -8.236 319 1HB TYR 40 2HB TYR 40 -4.111 12.998 -6.793 320 2HB TYR 40 1HB TYR 40 -3.224 11.667 -7.525 321 HD1 TYR 40 2HD TYR 40 -2.073 14.747 -5.742 322 HD2 TYR 40 1HD TYR 40 -2.153 10.485 -5.826 323 HE1 TYR 40 2HE TYR 40 -0.588 14.684 -3.788 324 HE2 TYR 40 1HE TYR 40 -0.674 10.419 -3.869 325 HH TYR 40 HH TYR 40 1.173 12.793 -2.871 326 H SER 41 H SER 41 -4.995 13.637 -9.248 327 HA SER 41 HA SER 41 -4.720 11.684 -11.259 328 1HB SER 41 2HB SER 41 -6.830 13.087 -10.185 329 2HB SER 41 1HB SER 41 -6.738 13.735 -11.822 330 HG SER 41 HG SER 41 -7.291 11.134 -10.958 331 H MET 42 H MET 42 -3.895 15.065 -11.229 332 HA MET 42 HA MET 42 -3.882 15.431 -14.060 333 1HB MET 42 2HB MET 42 -3.136 17.014 -11.687 334 2HB MET 42 1HB MET 42 -2.248 17.396 -13.154 335 1HG MET 42 2HG MET 42 -4.120 18.136 -14.260 336 2HG MET 42 1HG MET 42 -5.219 17.201 -13.249 337 1HE MET 42 1HE MET 42 -5.272 18.990 -9.954 338 2HE MET 42 2HE MET 42 -5.410 17.484 -10.858 339 3HE MET 42 3HE MET 42 -6.624 18.746 -11.060 340 H ILE 43 H ILE 43 -1.270 14.960 -11.664 341 HA ILE 43 HA ILE 43 0.600 14.529 -13.878 342 HB ILE 43 HB ILE 43 0.975 16.094 -11.786 343 1HG1 ILE 43 2HG1 ILE 43 2.508 15.653 -13.733 344 2HG1 ILE 43 1HG1 ILE 43 3.322 16.032 -12.219 345 1HG2 ILE 43 1HG2 ILE 43 0.715 14.456 -10.059 346 2HG2 ILE 43 2HG2 ILE 43 2.394 14.998 -10.089 347 3HG2 ILE 43 3HG2 ILE 43 1.962 13.436 -10.780 348 1HD1 ILE 43 1HD1 ILE 43 4.495 14.261 -13.295 349 2HD1 ILE 43 2HD1 ILE 43 3.014 13.325 -13.492 350 3HD1 ILE 43 3HD1 ILE 43 3.680 13.595 -11.881 351 H ILE 44 H ILE 44 -0.429 12.964 -10.850 352 HA ILE 44 HA ILE 44 0.971 10.525 -11.591 353 HB ILE 44 HB ILE 44 -0.520 11.354 -9.102 354 1HG1 ILE 44 2HG1 ILE 44 1.688 12.283 -9.250 355 2HG1 ILE 44 1HG1 ILE 44 1.726 10.982 -8.068 356 1HG2 ILE 44 1HG2 ILE 44 0.084 9.200 -8.115 357 2HG2 ILE 44 2HG2 ILE 44 0.721 8.668 -9.670 358 3HG2 ILE 44 3HG2 ILE 44 -0.999 8.999 -9.487 359 1HD1 ILE 44 1HD1 ILE 44 3.614 10.485 -9.204 360 2HD1 ILE 44 2HD1 ILE 44 3.028 11.187 -10.711 361 3HD1 ILE 44 3HD1 ILE 44 2.471 9.592 -10.205 362 H LYS 45 H LYS 45 -0.208 9.843 -13.370 363 HA LYS 45 HA LYS 45 -2.952 9.677 -13.659 364 1HB LYS 45 2HB LYS 45 -0.728 8.887 -15.121 365 2HB LYS 45 1HB LYS 45 -1.606 7.388 -14.842 366 1HG LYS 45 2HG LYS 45 -3.667 8.665 -15.671 367 2HG LYS 45 1HG LYS 45 -2.518 9.859 -16.274 368 1HD LYS 45 2HD LYS 45 -1.412 7.578 -17.224 369 2HD LYS 45 1HD LYS 45 -3.121 7.142 -17.248 370 1HE LYS 45 2HE LYS 45 -3.601 8.587 -18.913 371 2HE LYS 45 1HE LYS 45 -2.491 9.815 -18.306 372 1HZ LYS 45 1HZ LYS 45 -0.651 8.595 -19.255 373 2HZ LYS 45 2HZ LYS 45 -1.797 8.916 -20.456 374 3HZ LYS 45 3HZ LYS 45 -1.687 7.366 -19.787 375 H HIS 46 H HIS 46 -0.766 7.189 -12.331 376 HA HIS 46 HA HIS 46 -3.146 5.842 -11.237 377 1HB HIS 46 2HB HIS 46 -1.250 4.810 -13.013 378 2HB HIS 46 1HB HIS 46 -0.833 4.105 -11.458 379 HD1 HIS 46 1HD HIS 46 -1.791 2.186 -13.510 380 HD2 HIS 46 2HD HIS 46 -4.411 4.211 -11.001 381 HE1 HIS 46 1HE HIS 46 -3.886 0.797 -13.464 382 HE2 HIS 46 2HE HIS 46 -5.415 1.986 -11.851 383 HA PRO 47 HA PRO 47 -0.548 7.118 -7.617 384 1HB PRO 47 2HB PRO 47 -3.070 7.674 -6.295 385 2HB PRO 47 1HB PRO 47 -1.756 8.786 -6.681 386 1HG PRO 47 2HG PRO 47 -4.207 8.848 -7.888 387 2HG PRO 47 1HG PRO 47 -2.717 9.441 -8.640 388 1HD PRO 47 2HD PRO 47 -4.183 6.878 -9.093 389 2HD PRO 47 1HD PRO 47 -3.311 7.906 -10.249 390 H MET 48 H MET 48 -3.692 5.483 -7.527 391 HA MET 48 HA MET 48 -4.498 3.718 -6.345 392 1HB MET 48 2HB MET 48 -1.652 2.732 -6.599 393 2HB MET 48 1HB MET 48 -3.076 1.745 -6.291 394 1HG MET 48 2HG MET 48 -2.400 3.264 -8.796 395 2HG MET 48 1HG MET 48 -2.503 1.517 -8.591 396 1HE MET 48 1HE MET 48 -4.304 0.310 -9.553 397 2HE MET 48 2HE MET 48 -6.017 0.644 -9.307 398 3HE MET 48 3HE MET 48 -4.976 0.306 -7.923 399 H ASP 49 H ASP 49 -4.768 5.140 -4.509 400 HA ASP 49 HA ASP 49 -2.863 5.141 -2.373 401 1HB ASP 49 2HB ASP 49 -4.813 6.135 -1.065 402 2HB ASP 49 1HB ASP 49 -4.297 7.036 -2.488 403 H PHE 50 H PHE 50 -3.751 4.532 -0.091 404 HA PHE 50 HA PHE 50 -3.957 1.727 0.012 405 1HB PHE 50 2HB PHE 50 -4.679 3.610 2.255 406 2HB PHE 50 1HB PHE 50 -4.112 1.950 2.386 407 HD1 PHE 50 2HD PHE 50 -1.893 2.203 0.283 408 HD2 PHE 50 1HD PHE 50 -3.020 4.621 3.599 409 HE1 PHE 50 2HE PHE 50 0.418 3.021 0.468 410 HE2 PHE 50 1HE PHE 50 -0.710 5.440 3.791 411 HZ PHE 50 HZ PHE 50 1.014 4.639 2.224 412 H SER 51 H SER 51 -6.430 4.234 0.066 413 HA SER 51 HA SER 51 -8.535 2.545 0.989 414 1HB SER 51 2HB SER 51 -8.254 5.258 0.595 415 2HB SER 51 1HB SER 51 -9.369 4.795 -0.688 416 HG SER 51 HG SER 51 -9.846 5.060 1.934 417 H THR 52 H THR 52 -7.427 3.557 -2.232 418 HA THR 52 HA THR 52 -9.545 2.295 -3.642 419 HB THR 52 HB THR 52 -6.793 3.155 -4.556 420 HG1 THR 52 1HG THR 52 -8.008 4.910 -4.015 421 1HG2 THR 52 1HG2 THR 52 -9.073 1.983 -6.075 422 2HG2 THR 52 2HG2 THR 52 -7.339 1.731 -6.270 423 3HG2 THR 52 3HG2 THR 52 -8.074 3.234 -6.821 424 H MET 53 H MET 53 -6.215 1.285 -2.866 425 HA MET 53 HA MET 53 -6.387 -1.193 -4.229 426 1HB MET 53 2HB MET 53 -4.331 -1.791 -3.107 427 2HB MET 53 1HB MET 53 -4.241 -0.119 -3.642 428 1HG MET 53 2HG MET 53 -4.800 0.598 -1.343 429 2HG MET 53 1HG MET 53 -4.745 -1.090 -0.839 430 1HE MET 53 1HE MET 53 -1.386 -2.255 -0.877 431 2HE MET 53 2HE MET 53 -1.532 -1.929 -2.605 432 3HE MET 53 3HE MET 53 -2.915 -2.554 -1.708 433 H LYS 54 H LYS 54 -6.966 -0.281 -0.833 434 HA LYS 54 HA LYS 54 -7.321 -2.859 0.205 435 1HB LYS 54 2HB LYS 54 -7.115 -0.735 1.531 436 2HB LYS 54 1HB LYS 54 -8.782 -0.373 1.108 437 1HG LYS 54 2HG LYS 54 -8.743 -2.993 2.160 438 2HG LYS 54 1HG LYS 54 -7.773 -1.979 3.231 439 1HD LYS 54 2HD LYS 54 -9.550 -0.672 3.830 440 2HD LYS 54 1HD LYS 54 -10.385 -0.913 2.294 441 1HE LYS 54 2HE LYS 54 -11.120 -3.076 2.936 442 2HE LYS 54 1HE LYS 54 -10.051 -3.097 4.338 443 1HZ LYS 54 1HZ LYS 54 -12.357 -2.651 4.951 444 2HZ LYS 54 2HZ LYS 54 -12.368 -1.270 3.975 445 3HZ LYS 54 3HZ LYS 54 -11.361 -1.338 5.333 446 H GLU 55 H GLU 55 -9.686 -0.636 -1.252 447 HA GLU 55 HA GLU 55 -11.961 -2.254 -0.843 448 1HB GLU 55 2HB GLU 55 -11.497 0.257 -1.876 449 2HB GLU 55 1HB GLU 55 -11.991 -0.649 -3.300 450 1HG GLU 55 2HG GLU 55 -14.091 -0.324 -2.698 451 2HG GLU 55 1HG GLU 55 -13.807 -1.369 -1.307 452 H LYS 56 H LYS 56 -9.585 -2.078 -3.437 453 HA LYS 56 HA LYS 56 -10.882 -3.886 -5.196 454 1HB LYS 56 2HB LYS 56 -8.346 -2.452 -5.076 455 2HB LYS 56 1HB LYS 56 -8.182 -4.051 -5.784 456 1HG LYS 56 2HG LYS 56 -9.068 -3.364 -7.691 457 2HG LYS 56 1HG LYS 56 -10.488 -2.723 -6.863 458 1HD LYS 56 2HD LYS 56 -9.504 -0.617 -6.565 459 2HD LYS 56 1HD LYS 56 -7.882 -1.234 -6.885 460 1HE LYS 56 2HE LYS 56 -10.068 -1.191 -8.954 461 2HE LYS 56 1HE LYS 56 -8.931 0.137 -8.728 462 1HZ LYS 56 1HZ LYS 56 -8.513 -1.882 -10.406 463 2HZ LYS 56 2HZ LYS 56 -7.751 -2.507 -9.031 464 3HZ LYS 56 3HZ LYS 56 -7.258 -1.021 -9.668 465 H ILE 57 H ILE 57 -8.458 -4.296 -2.638 466 HA ILE 57 HA ILE 57 -7.778 -6.967 -3.149 467 HB ILE 57 HB ILE 57 -7.887 -5.563 -0.471 468 1HG1 ILE 57 2HG1 ILE 57 -5.338 -6.144 -1.895 469 2HG1 ILE 57 1HG1 ILE 57 -6.326 -4.834 -2.527 470 1HG2 ILE 57 1HG2 ILE 57 -7.701 -7.712 0.237 471 2HG2 ILE 57 2HG2 ILE 57 -6.002 -7.420 -0.133 472 3HG2 ILE 57 3HG2 ILE 57 -7.020 -8.274 -1.291 473 1HD1 ILE 57 1HD1 ILE 57 -6.134 -4.551 0.299 474 2HD1 ILE 57 2HD1 ILE 57 -5.543 -3.478 -0.969 475 3HD1 ILE 57 3HD1 ILE 57 -4.519 -4.782 -0.370 476 H LYS 58 H LYS 58 -10.442 -5.567 -1.287 477 HA LYS 58 HA LYS 58 -11.424 -7.917 -0.126 478 1HB LYS 58 2HB LYS 58 -12.096 -5.359 0.125 479 2HB LYS 58 1HB LYS 58 -13.342 -5.816 -1.027 480 1HG LYS 58 2HG LYS 58 -14.234 -5.986 1.182 481 2HG LYS 58 1HG LYS 58 -14.050 -7.615 0.528 482 1HD LYS 58 2HD LYS 58 -11.683 -6.694 1.958 483 2HD LYS 58 1HD LYS 58 -13.127 -6.725 2.974 484 1HE LYS 58 2HE LYS 58 -13.483 -9.030 2.558 485 2HE LYS 58 1HE LYS 58 -12.303 -9.050 1.249 486 1HZ LYS 58 1HZ LYS 58 -11.429 -10.054 3.274 487 2HZ LYS 58 2HZ LYS 58 -11.673 -8.611 4.120 488 3HZ LYS 58 3HZ LYS 58 -10.549 -8.670 2.858 489 H ASN 59 H ASN 59 -11.601 -6.806 -3.415 490 HA ASN 59 HA ASN 59 -13.654 -8.797 -4.071 491 1HB ASN 59 2HB ASN 59 -12.647 -6.312 -5.379 492 2HB ASN 59 1HB ASN 59 -13.294 -7.584 -6.405 493 1HD2 ASN 59 1HD2 ASN 59 -14.031 -4.963 -4.410 494 2HD2 ASN 59 2HD2 ASN 59 -15.747 -5.163 -4.367 495 H ASN 60 H ASN 60 -10.703 -9.295 -3.459 496 HA ASN 60 HA ASN 60 -9.045 -10.670 -4.151 497 1HB ASN 60 2HB ASN 60 -11.437 -11.774 -5.219 498 2HB ASN 60 1HB ASN 60 -10.186 -11.930 -6.448 499 1HD2 ASN 60 1HD2 ASN 60 -10.683 -12.396 -2.970 500 2HD2 ASN 60 2HD2 ASN 60 -9.735 -13.835 -2.853 501 H ASP 61 H ASP 61 -9.536 -7.986 -5.456 502 HA ASP 61 HA ASP 61 -8.559 -8.196 -8.133 503 1HB ASP 61 2HB ASP 61 -9.855 -6.244 -6.921 504 2HB ASP 61 1HB ASP 61 -8.231 -5.711 -6.497 505 H TYR 62 H TYR 62 -7.136 -7.746 -4.962 506 HA TYR 62 HA TYR 62 -4.465 -7.971 -6.171 507 1HB TYR 62 2HB TYR 62 -5.284 -6.314 -3.774 508 2HB TYR 62 1HB TYR 62 -3.617 -6.581 -4.278 509 HD1 TYR 62 1HD TYR 62 -3.116 -5.959 -6.792 510 HD2 TYR 62 2HD TYR 62 -6.379 -4.423 -4.534 511 HE1 TYR 62 1HE TYR 62 -3.292 -4.066 -8.348 512 HE2 TYR 62 2HE TYR 62 -6.560 -2.521 -6.081 513 HH TYR 62 HH TYR 62 -4.965 -2.432 -9.080 514 H GLN 63 H GLN 63 -3.771 -9.940 -5.762 515 HA GLN 63 HA GLN 63 -3.775 -10.930 -3.022 516 1HB GLN 63 2HB GLN 63 -5.811 -11.842 -4.191 517 2HB GLN 63 1HB GLN 63 -4.732 -12.631 -5.332 518 1HG GLN 63 2HG GLN 63 -3.825 -13.386 -2.797 519 2HG GLN 63 1HG GLN 63 -5.585 -13.488 -2.731 520 1HE2 GLN 63 1HE2 GLN 63 -3.666 -15.649 -2.654 521 2HE2 GLN 63 2HE2 GLN 63 -4.012 -16.665 -4.004 522 H SER 64 H SER 64 -1.912 -9.924 -5.212 523 HA SER 64 HA SER 64 0.028 -12.122 -5.033 524 1HB SER 64 2HB SER 64 0.798 -10.742 -7.294 525 2HB SER 64 1HB SER 64 -0.111 -12.253 -7.296 526 HG SER 64 HG SER 64 -1.340 -10.917 -8.487 527 H ILE 65 H ILE 65 1.886 -11.553 -4.153 528 HA ILE 65 HA ILE 65 2.296 -9.168 -2.856 529 HB ILE 65 HB ILE 65 3.578 -11.535 -2.863 530 1HG1 ILE 65 2HG1 ILE 65 4.595 -8.877 -1.864 531 2HG1 ILE 65 1HG1 ILE 65 3.498 -9.976 -1.036 532 1HG2 ILE 65 1HG2 ILE 65 4.787 -11.008 -4.947 533 2HG2 ILE 65 2HG2 ILE 65 5.865 -11.294 -3.580 534 3HG2 ILE 65 3HG2 ILE 65 5.557 -9.647 -4.129 535 1HD1 ILE 65 1HD1 ILE 65 5.874 -9.973 -0.229 536 2HD1 ILE 65 2HD1 ILE 65 6.311 -10.725 -1.762 537 3HD1 ILE 65 3HD1 ILE 65 5.213 -11.550 -0.658 538 H GLU 66 H GLU 66 3.255 -10.075 -6.135 539 HA GLU 66 HA GLU 66 4.837 -7.756 -6.617 540 1HB GLU 66 2HB GLU 66 4.504 -10.106 -7.929 541 2HB GLU 66 1HB GLU 66 3.509 -9.049 -8.920 542 1HG GLU 66 2HG GLU 66 5.759 -7.554 -8.627 543 2HG GLU 66 1HG GLU 66 6.417 -9.189 -8.639 544 H GLU 67 H GLU 67 1.442 -8.597 -7.145 545 HA GLU 67 HA GLU 67 0.767 -6.257 -8.599 546 1HB GLU 67 2HB GLU 67 -0.484 -8.488 -8.468 547 2HB GLU 67 1HB GLU 67 -1.138 -7.904 -6.945 548 1HG GLU 67 2HG GLU 67 -2.796 -7.240 -8.327 549 2HG GLU 67 1HG GLU 67 -1.767 -5.814 -8.432 550 H LEU 68 H LEU 68 0.339 -7.154 -5.167 551 HA LEU 68 HA LEU 68 -0.853 -4.670 -4.442 552 1HB LEU 68 2HB LEU 68 -0.464 -5.393 -2.110 553 2HB LEU 68 1HB LEU 68 -1.290 -6.591 -3.086 554 HG LEU 68 HG LEU 68 1.248 -7.455 -3.376 555 1HD1 LEU 68 1HD1 LEU 68 2.601 -6.343 -1.993 556 2HD1 LEU 68 2HD1 LEU 68 1.848 -7.296 -0.716 557 3HD1 LEU 68 3HD1 LEU 68 1.261 -5.670 -1.065 558 1HD2 LEU 68 1HD2 LEU 68 0.235 -8.475 -0.891 559 2HD2 LEU 68 2HD2 LEU 68 0.315 -9.253 -2.471 560 3HD2 LEU 68 3HD2 LEU 68 -1.080 -8.264 -2.046 561 H LYS 69 H LYS 69 2.458 -5.921 -4.249 562 HA LYS 69 HA LYS 69 3.576 -3.768 -2.825 563 1HB LYS 69 2HB LYS 69 4.683 -5.972 -3.207 564 2HB LYS 69 1HB LYS 69 4.957 -5.504 -4.880 565 1HG LYS 69 2HG LYS 69 6.295 -3.580 -4.063 566 2HG LYS 69 1HG LYS 69 6.103 -4.198 -2.421 567 1HD LYS 69 2HD LYS 69 7.316 -5.774 -4.689 568 2HD LYS 69 1HD LYS 69 8.254 -4.835 -3.528 569 1HE LYS 69 2HE LYS 69 6.330 -6.650 -2.284 570 2HE LYS 69 1HE LYS 69 7.546 -7.475 -3.258 571 1HZ LYS 69 1HZ LYS 69 8.143 -5.515 -1.107 572 2HZ LYS 69 2HZ LYS 69 9.275 -6.407 -1.993 573 3HZ LYS 69 3HZ LYS 69 8.220 -7.197 -0.933 574 H ASP 70 H ASP 70 3.129 -4.316 -6.297 575 HA ASP 70 HA ASP 70 4.524 -2.058 -7.225 576 1HB ASP 70 2HB ASP 70 2.514 -3.933 -8.341 577 2HB ASP 70 1HB ASP 70 2.624 -2.366 -9.133 578 H ASN 71 H ASN 71 1.088 -2.514 -6.425 579 HA ASN 71 HA ASN 71 0.266 0.099 -7.107 580 1HB ASN 71 2HB ASN 71 -0.907 -2.050 -5.359 581 2HB ASN 71 1HB ASN 71 -1.669 -0.467 -5.480 582 1HD2 ASN 71 1HD2 ASN 71 -2.859 0.018 -7.233 583 2HD2 ASN 71 2HD2 ASN 71 -3.109 -1.046 -8.569 584 H PHE 72 H PHE 72 1.148 -1.324 -3.950 585 HA PHE 72 HA PHE 72 0.762 1.002 -2.416 586 1HB PHE 72 2HB PHE 72 0.984 -1.177 -1.359 587 2HB PHE 72 1HB PHE 72 2.628 -1.343 -1.965 588 HD1 PHE 72 2HD PHE 72 0.508 0.730 0.278 589 HD2 PHE 72 1HD PHE 72 4.434 -0.603 -0.689 590 HE1 PHE 72 2HE PHE 72 1.366 1.768 2.337 591 HE2 PHE 72 1HE PHE 72 5.296 0.432 1.370 592 HZ PHE 72 HZ PHE 72 3.760 1.620 2.885 593 H LYS 73 H LYS 73 3.674 -0.287 -3.994 594 HA LYS 73 HA LYS 73 5.409 1.778 -3.160 595 1HB LYS 73 2HB LYS 73 5.935 -0.554 -4.202 596 2HB LYS 73 1HB LYS 73 5.801 0.291 -5.736 597 1HG LYS 73 2HG LYS 73 7.480 1.793 -3.977 598 2HG LYS 73 1HG LYS 73 8.029 0.116 -4.031 599 1HD LYS 73 2HD LYS 73 8.204 0.188 -6.423 600 2HD LYS 73 1HD LYS 73 7.454 1.784 -6.477 601 1HE LYS 73 2HE LYS 73 9.617 2.449 -6.601 602 2HE LYS 73 1HE LYS 73 9.495 2.338 -4.847 603 1HZ LYS 73 1HZ LYS 73 10.681 0.376 -4.803 604 2HZ LYS 73 2HZ LYS 73 11.461 1.212 -6.048 605 3HZ LYS 73 3HZ LYS 73 10.349 -0.006 -6.418 606 H LEU 74 H LEU 74 3.268 1.438 -5.951 607 HA LEU 74 HA LEU 74 4.245 3.565 -7.491 608 1HB LEU 74 2HB LEU 74 1.698 2.058 -7.341 609 2HB LEU 74 1HB LEU 74 1.618 3.635 -8.104 610 HG LEU 74 HG LEU 74 3.747 1.747 -8.996 611 1HD1 LEU 74 1HD1 LEU 74 2.197 0.154 -9.352 612 2HD1 LEU 74 2HD1 LEU 74 1.796 1.150 -10.751 613 3HD1 LEU 74 3HD1 LEU 74 0.850 1.291 -9.269 614 1HD2 LEU 74 1HD2 LEU 74 3.110 4.244 -9.741 615 2HD2 LEU 74 2HD2 LEU 74 2.088 3.336 -10.853 616 3HD2 LEU 74 3HD2 LEU 74 3.830 3.062 -10.834 617 H MET 75 H MET 75 1.745 3.522 -4.946 618 HA MET 75 HA MET 75 1.098 6.270 -5.177 619 1HB MET 75 2HB MET 75 -0.070 4.252 -3.868 620 2HB MET 75 1HB MET 75 0.830 4.948 -2.529 621 1HG MET 75 2HG MET 75 -0.423 7.085 -3.897 622 2HG MET 75 1HG MET 75 -1.622 5.811 -3.683 623 1HE MET 75 1HE MET 75 0.996 8.035 -2.120 624 2HE MET 75 2HE MET 75 1.409 6.704 -1.039 625 3HE MET 75 3HE MET 75 0.585 8.130 -0.408 626 H CYS 76 H CYS 76 3.425 4.514 -3.166 627 HA CYS 76 HA CYS 76 4.218 6.667 -1.544 628 1HB CYS 76 2HB CYS 76 5.364 4.027 -2.277 629 2HB CYS 76 1HB CYS 76 6.481 5.216 -1.621 630 HG CYS 76 HG CYS 76 5.265 5.152 0.602 631 H THR 77 H THR 77 5.609 5.443 -4.595 632 HA THR 77 HA THR 77 7.592 7.490 -4.750 633 HB THR 77 HB THR 77 6.582 5.919 -7.110 634 HG1 THR 77 1HG THR 77 8.261 5.019 -5.011 635 1HG2 THR 77 1HG2 THR 77 9.268 5.872 -7.254 636 2HG2 THR 77 2HG2 THR 77 9.013 7.431 -6.466 637 3HG2 THR 77 3HG2 THR 77 8.253 7.093 -8.021 638 H ASN 78 H ASN 78 4.349 7.084 -6.111 639 HA ASN 78 HA ASN 78 4.455 9.356 -7.812 640 1HB ASN 78 2HB ASN 78 2.177 7.730 -6.694 641 2HB ASN 78 1HB ASN 78 1.927 9.105 -7.756 642 1HD2 ASN 78 1HD2 ASN 78 0.909 6.896 -8.674 643 2HD2 ASN 78 2HD2 ASN 78 1.864 6.172 -9.907 644 H ALA 79 H ALA 79 3.525 8.860 -4.452 645 HA ALA 79 HA ALA 79 2.269 11.395 -4.115 646 1HB ALA 79 1HB ALA 79 2.775 10.865 -1.624 647 2HB ALA 79 2HB ALA 79 3.267 9.288 -2.241 648 3HB ALA 79 3HB ALA 79 1.621 9.864 -2.506 649 H MET 80 H MET 80 5.549 10.173 -3.470 650 HA MET 80 HA MET 80 6.481 12.596 -2.314 651 1HB MET 80 2HB MET 80 8.729 11.638 -2.554 652 2HB MET 80 1HB MET 80 7.602 10.488 -1.851 653 1HG MET 80 2HG MET 80 7.723 9.081 -3.613 654 2HG MET 80 1HG MET 80 7.950 10.378 -4.781 655 1HE MET 80 1HE MET 80 11.453 11.018 -5.174 656 2HE MET 80 2HE MET 80 9.756 11.288 -5.565 657 3HE MET 80 3HE MET 80 10.576 9.844 -6.155 658 H ILE 81 H ILE 81 6.407 11.380 -5.635 659 HA ILE 81 HA ILE 81 8.147 13.350 -6.696 660 HB ILE 81 HB ILE 81 7.703 11.329 -7.963 661 1HG1 ILE 81 2HG1 ILE 81 6.486 13.296 -9.792 662 2HG1 ILE 81 1HG1 ILE 81 7.952 13.839 -8.983 663 1HG2 ILE 81 1HG2 ILE 81 5.577 10.958 -9.106 664 2HG2 ILE 81 2HG2 ILE 81 4.893 12.363 -8.291 665 3HG2 ILE 81 3HG2 ILE 81 5.386 10.954 -7.355 666 1HD1 ILE 81 1HD1 ILE 81 7.967 11.158 -10.253 667 2HD1 ILE 81 2HD1 ILE 81 9.269 12.335 -10.067 668 3HD1 ILE 81 3HD1 ILE 81 8.022 12.584 -11.291 669 H TYR 82 H TYR 82 4.580 13.212 -6.407 670 HA TYR 82 HA TYR 82 4.473 16.003 -7.307 671 1HB TYR 82 2HB TYR 82 2.899 14.206 -8.243 672 2HB TYR 82 1HB TYR 82 2.081 14.274 -6.685 673 HD1 TYR 82 1HD TYR 82 3.450 16.860 -9.032 674 HD2 TYR 82 2HD TYR 82 0.102 15.448 -6.814 675 HE1 TYR 82 1HE TYR 82 2.133 18.782 -9.809 676 HE2 TYR 82 2HE TYR 82 -1.219 17.369 -7.588 677 HH TYR 82 HH TYR 82 0.074 20.083 -8.927 678 H ASN 83 H ASN 83 5.636 15.476 -4.789 679 HA ASN 83 HA ASN 83 4.245 17.318 -3.178 680 1HB ASN 83 2HB ASN 83 3.042 14.916 -2.947 681 2HB ASN 83 1HB ASN 83 4.297 14.726 -1.727 682 1HD2 ASN 83 1HD2 ASN 83 2.158 17.368 -2.791 683 2HD2 ASN 83 2HD2 ASN 83 1.590 17.764 -1.208 684 H LYS 84 H LYS 84 6.259 18.277 -3.098 685 HA LYS 84 HA LYS 84 8.645 16.963 -2.328 686 1HB LYS 84 2HB LYS 84 7.776 19.713 -2.878 687 2HB LYS 84 1HB LYS 84 9.047 19.610 -1.669 688 1HG LYS 84 2HG LYS 84 10.353 18.216 -3.296 689 2HG LYS 84 1HG LYS 84 9.124 18.604 -4.502 690 1HD LYS 84 2HD LYS 84 9.682 21.075 -3.581 691 2HD LYS 84 1HD LYS 84 11.245 20.294 -3.337 692 1HE LYS 84 2HE LYS 84 10.825 19.443 -5.794 693 2HE LYS 84 1HE LYS 84 9.767 20.851 -5.863 694 1HZ LYS 84 1HZ LYS 84 12.418 21.316 -4.766 695 2HZ LYS 84 2HZ LYS 84 11.500 22.263 -5.823 696 3HZ LYS 84 3HZ LYS 84 12.366 20.937 -6.415 697 HA PRO 85 HA PRO 85 8.702 16.928 2.084 698 1HB PRO 85 2HB PRO 85 10.964 18.819 2.280 699 2HB PRO 85 1HB PRO 85 10.865 17.131 2.783 700 1HG PRO 85 2HG PRO 85 12.296 17.864 0.646 701 2HG PRO 85 1HG PRO 85 11.399 16.333 0.677 702 1HD PRO 85 2HD PRO 85 10.686 18.927 -0.644 703 2HD PRO 85 1HD PRO 85 10.508 17.267 -1.253 704 H GLU 86 H GLU 86 6.678 18.302 1.808 705 HA GLU 86 HA GLU 86 6.744 21.079 2.377 706 1HB GLU 86 2HB GLU 86 4.856 19.407 1.426 707 2HB GLU 86 1HB GLU 86 4.326 19.520 3.097 708 1HG GLU 86 2HG GLU 86 3.171 21.148 1.766 709 2HG GLU 86 1HG GLU 86 4.255 21.966 2.888 710 H THR 87 H THR 87 5.619 18.358 4.398 711 HA THR 87 HA THR 87 6.846 19.528 6.744 712 HB THR 87 HB THR 87 4.686 19.464 8.036 713 HG1 THR 87 1HG THR 87 3.668 19.018 5.444 714 1HG2 THR 87 1HG2 THR 87 4.372 21.406 5.790 715 2HG2 THR 87 2HG2 THR 87 5.675 21.572 6.967 716 3HG2 THR 87 3HG2 THR 87 3.994 21.603 7.501 717 H ILE 88 H ILE 88 4.080 17.329 6.594 718 HA ILE 88 HA ILE 88 5.829 15.167 7.563 719 HB ILE 88 HB ILE 88 2.868 15.410 8.080 720 1HG1 ILE 88 2HG1 ILE 88 4.057 15.827 10.504 721 2HG1 ILE 88 1HG1 ILE 88 5.172 16.666 9.432 722 1HG2 ILE 88 1HG2 ILE 88 3.387 13.190 8.394 723 2HG2 ILE 88 2HG2 ILE 88 3.651 13.837 10.013 724 3HG2 ILE 88 3HG2 ILE 88 5.025 13.537 8.947 725 1HD1 ILE 88 1HD1 ILE 88 3.423 18.124 10.373 726 2HD1 ILE 88 2HD1 ILE 88 2.206 17.161 9.537 727 3HD1 ILE 88 3HD1 ILE 88 3.402 18.067 8.611 728 H TYR 89 H TYR 89 3.910 16.142 4.946 729 HA TYR 89 HA TYR 89 2.662 13.772 4.143 730 1HB TYR 89 2HB TYR 89 3.766 16.070 2.518 731 2HB TYR 89 1HB TYR 89 2.830 14.755 1.819 732 HD1 TYR 89 1HD TYR 89 2.700 17.698 4.023 733 HD2 TYR 89 2HD TYR 89 0.450 14.618 2.138 734 HE1 TYR 89 1HE TYR 89 0.625 18.908 4.539 735 HE2 TYR 89 2HE TYR 89 -1.631 15.821 2.649 736 HH TYR 89 HH TYR 89 -2.366 17.556 4.444 737 H TYR 90 H TYR 90 5.902 15.019 3.354 738 HA TYR 90 HA TYR 90 6.658 12.875 1.675 739 1HB TYR 90 2HB TYR 90 7.763 15.185 1.941 740 2HB TYR 90 1HB TYR 90 8.608 14.484 3.317 741 HD1 TYR 90 1HD TYR 90 10.142 12.527 2.936 742 HD2 TYR 90 2HD TYR 90 8.466 14.754 -0.279 743 HE1 TYR 90 1HE TYR 90 11.856 11.624 1.425 744 HE2 TYR 90 2HE TYR 90 10.175 13.854 -1.800 745 HH TYR 90 HH TYR 90 12.007 11.222 -1.164 746 H LYS 91 H LYS 91 7.303 13.482 5.130 747 HA LYS 91 HA LYS 91 8.767 11.098 5.559 748 1HB LYS 91 2HB LYS 91 7.413 13.078 7.355 749 2HB LYS 91 1HB LYS 91 8.028 11.573 8.024 750 1HG LYS 91 2HG LYS 91 10.258 12.134 7.084 751 2HG LYS 91 1HG LYS 91 9.606 13.698 6.590 752 1HD LYS 91 2HD LYS 91 9.587 14.505 8.706 753 2HD LYS 91 1HD LYS 91 9.175 12.939 9.411 754 1HE LYS 91 2HE LYS 91 11.528 12.213 8.901 755 2HE LYS 91 1HE LYS 91 11.878 13.889 8.482 756 1HZ LYS 91 1HZ LYS 91 11.708 14.562 10.644 757 2HZ LYS 91 2HZ LYS 91 12.307 12.996 10.880 758 3HZ LYS 91 3HZ LYS 91 10.658 13.312 11.089 759 H ALA 92 H ALA 92 5.333 11.860 5.730 760 HA ALA 92 HA ALA 92 4.441 9.578 7.093 761 1HB ALA 92 1HB ALA 92 2.788 11.159 6.919 762 2HB ALA 92 2HB ALA 92 2.298 10.053 5.637 763 3HB ALA 92 3HB ALA 92 3.168 11.534 5.238 764 H ALA 93 H ALA 93 4.848 10.175 3.611 765 HA ALA 93 HA ALA 93 3.934 7.626 2.769 766 1HB ALA 93 1HB ALA 93 4.682 8.223 0.603 767 2HB ALA 93 2HB ALA 93 5.840 9.389 1.245 768 3HB ALA 93 3HB ALA 93 4.110 9.713 1.355 769 H LYS 94 H LYS 94 7.152 8.904 3.531 770 HA LYS 94 HA LYS 94 8.592 6.614 2.664 771 1HB LYS 94 2HB LYS 94 9.283 9.142 3.471 772 2HB LYS 94 1HB LYS 94 9.814 8.172 4.836 773 1HG LYS 94 2HG LYS 94 11.632 8.449 3.292 774 2HG LYS 94 1HG LYS 94 11.119 6.761 3.291 775 1HD LYS 94 2HD LYS 94 11.541 7.529 1.020 776 2HD LYS 94 1HD LYS 94 9.830 7.165 1.238 777 1HE LYS 94 2HE LYS 94 10.563 9.943 1.825 778 2HE LYS 94 1HE LYS 94 10.828 9.465 0.150 779 1HZ LYS 94 1HZ LYS 94 8.665 10.178 0.101 780 2HZ LYS 94 2HZ LYS 94 8.310 9.629 1.659 781 3HZ LYS 94 3HZ LYS 94 8.427 8.527 0.381 782 H LYS 95 H LYS 95 7.495 7.677 5.885 783 HA LYS 95 HA LYS 95 8.560 5.524 7.337 784 1HB LYS 95 2HB LYS 95 6.434 7.553 7.816 785 2HB LYS 95 1HB LYS 95 6.448 6.136 8.858 786 1HG LYS 95 2HG LYS 95 9.027 6.784 9.028 787 2HG LYS 95 1HG LYS 95 8.365 8.381 8.675 788 1HD LYS 95 2HD LYS 95 6.817 8.150 10.565 789 2HD LYS 95 1HD LYS 95 7.493 6.558 10.919 790 1HE LYS 95 2HE LYS 95 9.283 8.950 10.782 791 2HE LYS 95 1HE LYS 95 8.328 8.648 12.232 792 1HZ LYS 95 1HZ LYS 95 9.395 6.250 11.877 793 2HZ LYS 95 2HZ LYS 95 10.149 7.461 12.785 794 3HZ LYS 95 3HZ LYS 95 10.620 7.191 11.184 795 H LEU 96 H LEU 96 5.423 5.925 5.731 796 HA LEU 96 HA LEU 96 4.286 3.500 6.639 797 1HB LEU 96 2HB LEU 96 3.592 5.616 4.781 798 2HB LEU 96 1HB LEU 96 3.157 4.046 4.137 799 HG LEU 96 HG LEU 96 1.350 5.245 5.422 800 1HD1 LEU 96 1HD1 LEU 96 1.857 2.701 6.849 801 2HD1 LEU 96 2HD1 LEU 96 1.763 2.643 5.089 802 3HD1 LEU 96 3HD1 LEU 96 0.408 3.273 6.024 803 1HD2 LEU 96 1HD2 LEU 96 3.145 5.874 7.239 804 2HD2 LEU 96 2HD2 LEU 96 2.657 4.330 7.934 805 3HD2 LEU 96 3HD2 LEU 96 1.460 5.599 7.679 806 H LEU 97 H LEU 97 6.284 4.320 3.846 807 HA LEU 97 HA LEU 97 5.992 1.935 2.398 808 1HB LEU 97 2HB LEU 97 7.256 4.242 1.910 809 2HB LEU 97 1HB LEU 97 8.640 3.287 2.401 810 HG LEU 97 HG LEU 97 6.749 2.479 0.191 811 1HD1 LEU 97 1HD1 LEU 97 7.888 4.568 -0.375 812 2HD1 LEU 97 2HD1 LEU 97 8.477 3.225 -1.356 813 3HD1 LEU 97 3HD1 LEU 97 9.443 3.822 -0.006 814 1HD2 LEU 97 1HD2 LEU 97 9.179 1.309 1.419 815 2HD2 LEU 97 2HD2 LEU 97 9.025 1.197 -0.334 816 3HD2 LEU 97 3HD2 LEU 97 7.774 0.519 0.707 817 H HIS 98 H HIS 98 8.363 2.846 4.889 818 HA HIS 98 HA HIS 98 9.842 0.442 4.791 819 1HB HIS 98 2HB HIS 98 10.172 2.835 6.058 820 2HB HIS 98 1HB HIS 98 9.720 1.799 7.406 821 HD1 HIS 98 1HD HIS 98 12.461 2.442 4.969 822 HD2 HIS 98 2HD HIS 98 11.589 -0.219 8.039 823 HE1 HIS 98 1HE HIS 98 14.625 1.267 5.473 824 HE2 HIS 98 2HE HIS 98 14.054 -0.399 7.275 825 H SER 99 H SER 99 7.126 1.475 6.836 826 HA SER 99 HA SER 99 7.046 -0.793 8.499 827 1HB SER 99 2HB SER 99 4.896 1.173 7.682 828 2HB SER 99 1HB SER 99 4.616 -0.118 8.851 829 HG SER 99 HG SER 99 5.319 2.068 9.634 830 H GLY 100 H GLY 100 5.293 -0.060 5.481 831 1HA GLY 100 2HA GLY 100 3.787 -2.423 5.358 832 2HA GLY 100 1HA GLY 100 4.227 -1.427 3.978 833 H MET 101 H MET 101 7.026 -1.695 4.096 834 HA MET 101 HA MET 101 7.425 -4.052 2.647 835 1HB MET 101 2HB MET 101 9.201 -1.992 3.859 836 2HB MET 101 1HB MET 101 9.940 -3.512 3.376 837 1HG MET 101 2HG MET 101 8.332 -2.771 1.225 838 2HG MET 101 1HG MET 101 9.100 -1.281 1.767 839 1HE MET 101 1HE MET 101 12.426 -1.930 2.284 840 2HE MET 101 2HE MET 101 11.232 -0.711 1.845 841 3HE MET 101 3HE MET 101 12.429 -1.238 0.664 842 H LYS 102 H LYS 102 8.152 -3.330 6.056 843 HA LYS 102 HA LYS 102 9.415 -5.745 6.680 844 1HB LYS 102 2HB LYS 102 8.811 -3.418 8.014 845 2HB LYS 102 1HB LYS 102 7.798 -4.596 8.836 846 1HG LYS 102 2HG LYS 102 10.479 -5.589 8.420 847 2HG LYS 102 1HG LYS 102 10.459 -4.071 9.318 848 1HD LYS 102 2HD LYS 102 9.642 -5.062 11.148 849 2HD LYS 102 1HD LYS 102 8.386 -5.887 10.219 850 1HE LYS 102 2HE LYS 102 9.823 -7.506 11.320 851 2HE LYS 102 1HE LYS 102 10.014 -7.608 9.570 852 1HZ LYS 102 1HZ LYS 102 12.185 -7.563 10.119 853 2HZ LYS 102 2HZ LYS 102 11.929 -6.792 11.602 854 3HZ LYS 102 3HZ LYS 102 11.954 -5.888 10.173 855 H ILE 103 H ILE 103 6.004 -4.797 6.989 856 HA ILE 103 HA ILE 103 5.119 -7.278 8.050 857 HB ILE 103 HB ILE 103 3.471 -5.265 6.519 858 1HG1 ILE 103 2HG1 ILE 103 3.977 -5.417 9.500 859 2HG1 ILE 103 1HG1 ILE 103 4.713 -4.241 8.416 860 1HG2 ILE 103 1HG2 ILE 103 2.229 -7.251 6.739 861 2HG2 ILE 103 2HG2 ILE 103 1.658 -6.198 8.031 862 3HG2 ILE 103 3HG2 ILE 103 2.780 -7.509 8.394 863 1HD1 ILE 103 1HD1 ILE 103 1.830 -4.493 9.193 864 2HD1 ILE 103 2HD1 ILE 103 2.370 -3.510 7.832 865 3HD1 ILE 103 3HD1 ILE 103 2.927 -3.140 9.464 866 H LEU 104 H LEU 104 5.333 -5.984 4.768 867 HA LEU 104 HA LEU 104 3.896 -7.915 3.385 868 1HB LEU 104 2HB LEU 104 5.669 -5.797 2.746 869 2HB LEU 104 1HB LEU 104 6.220 -7.212 1.872 870 HG LEU 104 HG LEU 104 3.385 -7.017 1.565 871 1HD1 LEU 104 1HD1 LEU 104 3.178 -4.769 1.814 872 2HD1 LEU 104 2HD1 LEU 104 3.711 -4.799 0.133 873 3HD1 LEU 104 3HD1 LEU 104 4.869 -4.457 1.418 874 1HD2 LEU 104 1HD2 LEU 104 5.157 -6.291 -0.671 875 2HD2 LEU 104 2HD2 LEU 104 3.903 -7.525 -0.569 876 3HD2 LEU 104 3HD2 LEU 104 5.504 -7.838 0.103 877 H SER 105 H SER 105 7.163 -8.046 4.681 878 HA SER 105 HA SER 105 8.128 -10.289 3.322 879 1HB SER 105 2HB SER 105 9.351 -8.682 4.953 880 2HB SER 105 1HB SER 105 8.783 -9.777 6.213 881 HG SER 105 HG SER 105 10.846 -10.077 4.520 882 H GLN 106 H GLN 106 6.097 -10.033 6.197 883 HA GLN 106 HA GLN 106 6.144 -12.791 6.860 884 1HB GLN 106 2HB GLN 106 4.006 -10.758 7.517 885 2HB GLN 106 1HB GLN 106 4.276 -12.293 8.331 886 1HG GLN 106 2HG GLN 106 6.623 -11.362 8.840 887 2HG GLN 106 1HG GLN 106 5.923 -9.799 8.424 888 1HE2 GLN 106 1HE2 GLN 106 4.595 -8.796 9.845 889 2HE2 GLN 106 2HE2 GLN 106 4.215 -9.412 11.413 890 H GLU 107 H GLU 107 4.180 -10.858 4.683 891 HA GLU 107 HA GLU 107 2.072 -12.667 4.274 892 1HB GLU 107 2HB GLU 107 3.193 -10.341 2.822 893 2HB GLU 107 1HB GLU 107 2.225 -11.454 1.864 894 1HG GLU 107 2HG GLU 107 0.845 -9.671 2.700 895 2HG GLU 107 1HG GLU 107 0.379 -11.192 3.458 896 H ARG 108 H ARG 108 5.317 -12.531 2.923 897 HA ARG 108 HA ARG 108 4.707 -14.854 1.229 898 1HB ARG 108 2HB ARG 108 6.175 -12.506 0.741 899 2HB ARG 108 1HB ARG 108 7.367 -13.794 0.853 900 1HG ARG 108 2HG ARG 108 6.118 -15.066 -0.843 901 2HG ARG 108 1HG ARG 108 4.979 -13.725 -0.979 902 1HD ARG 108 2HD ARG 108 6.314 -12.901 -2.560 903 2HD ARG 108 1HD ARG 108 7.457 -12.524 -1.272 904 HE ARG 108 HE ARG 108 8.823 -14.146 -2.094 905 1HH1 ARG 108 1HH1 ARG 108 5.578 -14.807 -3.234 906 2HH1 ARG 108 2HH1 ARG 108 6.067 -16.127 -4.238 907 1HH2 ARG 108 1HH2 ARG 108 9.463 -15.886 -3.427 908 2HH2 ARG 108 2HH2 ARG 108 8.273 -16.740 -4.349 909 H LEU 109 H LEU 109 4.989 -15.164 4.065 910 HA LEU 109 HA LEU 109 7.623 -16.367 4.440 911 1HB LEU 109 2HB LEU 109 5.892 -15.018 6.138 912 2HB LEU 109 1HB LEU 109 5.729 -16.692 6.630 913 HG LEU 109 HG LEU 109 8.490 -15.635 6.303 914 1HD1 LEU 109 1HD1 LEU 109 6.521 -14.605 8.258 915 2HD1 LEU 109 2HD1 LEU 109 7.930 -13.822 7.542 916 3HD1 LEU 109 3HD1 LEU 109 8.136 -14.981 8.857 917 1HD2 LEU 109 1HD2 LEU 109 7.075 -17.761 7.765 918 2HD2 LEU 109 2HD2 LEU 109 8.391 -16.983 8.642 919 3HD2 LEU 109 3HD2 LEU 109 8.699 -17.737 7.079 920 H GLU 110 H GLU 110 7.933 -18.547 4.981 921 HA GLU 110 HA GLU 110 5.793 -20.322 4.037 922 1HB GLU 110 2HB GLU 110 8.781 -20.584 4.171 923 2HB GLU 110 1HB GLU 110 7.767 -22.015 4.043 924 1HG GLU 110 2HG GLU 110 7.085 -21.519 1.918 925 2HG GLU 110 1HG GLU 110 7.337 -19.787 2.122 926 H HIS 111 H HIS 111 7.846 -19.672 6.814 927 HA HIS 111 HA HIS 111 7.766 -20.352 8.977 928 1HB HIS 111 2HB HIS 111 5.007 -21.110 8.062 929 2HB HIS 111 1HB HIS 111 5.551 -21.521 9.684 930 HD1 HIS 111 1HD HIS 111 4.785 -18.549 7.501 931 HD2 HIS 111 2HD HIS 111 5.605 -19.422 11.481 932 HE1 HIS 111 1HE HIS 111 4.286 -16.435 8.771 933 HE2 HIS 111 2HE HIS 111 4.802 -16.983 11.176 934 H HIS 112 H HIS 112 9.417 -21.818 9.015 935 HA HIS 112 HA HIS 112 10.459 -23.808 9.304 936 1HB HIS 112 2HB HIS 112 7.641 -24.458 9.912 937 2HB HIS 112 1HB HIS 112 8.658 -25.833 9.496 938 HD1 HIS 112 1HD HIS 112 10.983 -25.927 10.989 939 HD2 HIS 112 2HD HIS 112 7.788 -23.753 12.522 940 HE1 HIS 112 1HE HIS 112 11.450 -25.688 13.449 941 HE2 HIS 112 2HE HIS 112 9.453 -24.461 14.371 942 H HIS 113 H HIS 113 11.501 -24.073 7.416 943 HA HIS 113 HA HIS 113 10.158 -24.947 5.023 944 1HB HIS 113 2HB HIS 113 13.140 -24.805 5.460 945 2HB HIS 113 1HB HIS 113 12.268 -24.732 3.933 946 HD1 HIS 113 1HD HIS 113 11.150 -22.470 3.311 947 HD2 HIS 113 2HD HIS 113 13.288 -22.404 6.875 948 HE1 HIS 113 1HE HIS 113 11.399 -20.040 3.902 949 HE2 HIS 113 2HE HIS 113 12.583 -20.032 6.128 950 H HIS 114 H HIS 114 10.703 -26.873 3.832 951 HA HIS 114 HA HIS 114 11.807 -29.064 5.443 952 1HB HIS 114 2HB HIS 114 9.960 -30.539 4.527 953 2HB HIS 114 1HB HIS 114 9.466 -29.363 5.738 954 HD1 HIS 114 1HD HIS 114 8.123 -27.258 4.840 955 HD2 HIS 114 2HD HIS 114 8.725 -30.305 2.075 956 HE1 HIS 114 1HE HIS 114 6.505 -26.800 2.970 957 HE2 HIS 114 2HE HIS 114 6.844 -28.690 1.338 958 H HIS 115 H HIS 115 13.270 -27.783 3.536 959 HA HIS 115 HA HIS 115 13.282 -29.694 1.289 960 1HB HIS 115 2HB HIS 115 12.766 -27.153 0.880 961 2HB HIS 115 1HB HIS 115 14.509 -26.971 1.047 962 HD1 HIS 115 1HD HIS 115 14.812 -29.937 -0.463 963 HD2 HIS 115 2HD HIS 115 13.098 -26.412 -1.851 964 HE1 HIS 115 1HE HIS 115 14.882 -30.096 -2.972 965 HE2 HIS 115 2HE HIS 115 13.764 -27.991 -3.787 966 H HIS 116 H HIS 116 15.335 -27.629 3.334 967 HA HIS 116 HA HIS 116 17.792 -28.746 2.467 968 1HB HIS 116 2HB HIS 116 17.198 -27.335 5.078 969 2HB HIS 116 1HB HIS 116 18.788 -27.584 4.368 970 HD1 HIS 116 1HD HIS 116 19.303 -26.206 2.155 971 HD2 HIS 116 2HD HIS 116 15.841 -25.115 4.181 972 HE1 HIS 116 1HE HIS 116 18.664 -23.955 1.231 973 HE2 HIS 116 2HE HIS 116 16.518 -23.357 2.408 Start of MODEL 14 1 1H MET 0 1HT MET 0 -5.802 -30.687 -7.328 2 2H MET 0 2HT MET 0 -6.145 -29.017 -7.523 3 3H MET 0 3HT MET 0 -6.668 -29.844 -6.113 4 HA MET 0 HA MET 0 -4.516 -30.103 -5.330 5 1HB MET 0 2HB MET 0 -3.897 -29.609 -8.164 6 2HB MET 0 1HB MET 0 -2.794 -28.821 -7.043 7 1HG MET 0 2HG MET 0 -3.385 -31.623 -6.418 8 2HG MET 0 1HG MET 0 -2.539 -31.364 -7.942 9 1HE MET 0 1HE MET 0 -0.817 -29.626 -8.136 10 2HE MET 0 2HE MET 0 0.549 -30.644 -7.676 11 3HE MET 0 3HE MET 0 0.301 -29.088 -6.884 12 H GLU 1 H GLU 1 -3.998 -28.601 -3.860 13 HA GLU 1 HA GLU 1 -3.884 -26.639 -2.733 14 1HB GLU 1 2HB GLU 1 -2.521 -26.188 -4.987 15 2HB GLU 1 1HB GLU 1 -3.799 -25.003 -5.213 16 1HG GLU 1 2HG GLU 1 -3.072 -23.686 -3.525 17 2HG GLU 1 1HG GLU 1 -2.482 -25.044 -2.569 18 H GLU 2 H GLU 2 -6.030 -26.816 -1.980 19 HA GLU 2 HA GLU 2 -7.878 -24.878 -3.208 20 1HB GLU 2 2HB GLU 2 -8.387 -27.699 -2.351 21 2HB GLU 2 1HB GLU 2 -9.677 -26.515 -2.185 22 1HG GLU 2 2HG GLU 2 -8.252 -27.265 -4.727 23 2HG GLU 2 1HG GLU 2 -9.892 -27.714 -4.267 24 H VAL 3 H VAL 3 -8.877 -23.495 -1.851 25 HA VAL 3 HA VAL 3 -9.388 -22.332 0.032 26 HB VAL 3 HB VAL 3 -8.975 -24.849 1.637 27 1HG1 VAL 3 1HG1 VAL 3 -9.428 -23.207 3.163 28 2HG1 VAL 3 2HG1 VAL 3 -11.069 -23.714 2.766 29 3HG1 VAL 3 3HG1 VAL 3 -10.392 -22.262 2.028 30 1HG2 VAL 3 1HG2 VAL 3 -11.107 -24.177 -0.322 31 2HG2 VAL 3 2HG2 VAL 3 -11.584 -24.973 1.178 32 3HG2 VAL 3 3HG2 VAL 3 -10.414 -25.741 0.105 33 H GLU 4 H GLU 4 -6.517 -22.909 -0.821 34 HA GLU 4 HA GLU 4 -5.139 -22.409 1.720 35 1HB GLU 4 2HB GLU 4 -3.935 -23.006 -0.988 36 2HB GLU 4 1HB GLU 4 -3.085 -22.941 0.549 37 1HG GLU 4 2HG GLU 4 -5.234 -24.931 -0.147 38 2HG GLU 4 1HG GLU 4 -3.500 -25.235 -0.245 39 H GLN 5 H GLN 5 -6.027 -20.927 -1.298 40 HA GLN 5 HA GLN 5 -4.223 -18.690 -0.992 41 1HB GLN 5 2HB GLN 5 -5.246 -17.830 -3.025 42 2HB GLN 5 1HB GLN 5 -4.815 -19.521 -3.226 43 1HG GLN 5 2HG GLN 5 -7.372 -19.776 -2.408 44 2HG GLN 5 1HG GLN 5 -7.454 -18.221 -3.237 45 1HE2 GLN 5 1HE2 GLN 5 -8.882 -20.327 -4.193 46 2HE2 GLN 5 2HE2 GLN 5 -8.197 -20.888 -5.675 47 H THR 6 H THR 6 -7.558 -19.450 -0.278 48 HA THR 6 HA THR 6 -8.674 -16.935 -0.019 49 HB THR 6 HB THR 6 -9.552 -18.662 2.138 50 HG1 THR 6 1HG THR 6 -9.712 -19.855 -0.421 51 1HG2 THR 6 1HG2 THR 6 -11.394 -18.663 0.002 52 2HG2 THR 6 2HG2 THR 6 -10.692 -17.048 0.102 53 3HG2 THR 6 3HG2 THR 6 -11.464 -17.763 1.517 54 HA PRO 7 HA PRO 7 -7.136 -17.027 4.722 55 1HB PRO 7 2HB PRO 7 -4.573 -18.423 4.096 56 2HB PRO 7 1HB PRO 7 -5.555 -18.476 5.563 57 1HG PRO 7 2HG PRO 7 -5.600 -20.507 3.860 58 2HG PRO 7 1HG PRO 7 -7.095 -19.955 4.635 59 1HD PRO 7 2HD PRO 7 -6.124 -19.506 1.848 60 2HD PRO 7 1HD PRO 7 -7.774 -19.790 2.436 61 H LEU 8 H LEU 8 -4.987 -16.870 1.916 62 HA LEU 8 HA LEU 8 -3.134 -14.999 2.831 63 1HB LEU 8 2HB LEU 8 -3.679 -16.300 0.422 64 2HB LEU 8 1HB LEU 8 -3.831 -14.598 0.034 65 HG LEU 8 HG LEU 8 -1.571 -15.548 -0.396 66 1HD1 LEU 8 1HD1 LEU 8 -1.469 -13.269 -0.255 67 2HD1 LEU 8 2HD1 LEU 8 -0.387 -13.719 1.063 68 3HD1 LEU 8 3HD1 LEU 8 -2.046 -13.230 1.410 69 1HD2 LEU 8 1HD2 LEU 8 -0.920 -15.479 2.489 70 2HD2 LEU 8 2HD2 LEU 8 -0.257 -16.478 1.195 71 3HD2 LEU 8 3HD2 LEU 8 -1.818 -16.881 1.909 72 H GLN 9 H GLN 9 -6.355 -14.534 1.453 73 HA GLN 9 HA GLN 9 -6.224 -11.736 1.129 74 1HB GLN 9 2HB GLN 9 -7.956 -13.129 0.073 75 2HB GLN 9 1HB GLN 9 -8.643 -13.475 1.653 76 1HG GLN 9 2HG GLN 9 -9.113 -11.071 1.938 77 2HG GLN 9 1HG GLN 9 -8.505 -10.785 0.309 78 1HE2 GLN 9 1HE2 GLN 9 -9.947 -10.799 -1.275 79 2HE2 GLN 9 2HE2 GLN 9 -11.522 -11.507 -1.202 80 H GLU 10 H GLU 10 -7.278 -13.760 3.847 81 HA GLU 10 HA GLU 10 -8.227 -11.693 5.500 82 1HB GLU 10 2HB GLU 10 -6.942 -14.270 6.421 83 2HB GLU 10 1HB GLU 10 -8.070 -13.269 7.324 84 1HG GLU 10 2HG GLU 10 -9.511 -13.815 5.085 85 2HG GLU 10 1HG GLU 10 -8.567 -15.293 5.268 86 H ALA 11 H ALA 11 -5.014 -13.217 5.295 87 HA ALA 11 HA ALA 11 -3.818 -11.693 7.351 88 1HB ALA 11 1HB ALA 11 -2.793 -13.746 6.605 89 2HB ALA 11 2HB ALA 11 -1.667 -12.411 6.352 90 3HB ALA 11 3HB ALA 11 -2.559 -13.081 4.986 91 H LEU 12 H LEU 12 -3.891 -11.268 3.822 92 HA LEU 12 HA LEU 12 -2.282 -8.976 3.696 93 1HB LEU 12 2HB LEU 12 -3.601 -10.581 1.885 94 2HB LEU 12 1HB LEU 12 -4.441 -9.051 1.727 95 HG LEU 12 HG LEU 12 -1.470 -8.993 1.680 96 1HD1 LEU 12 1HD1 LEU 12 -1.530 -10.698 0.168 97 2HD1 LEU 12 2HD1 LEU 12 -1.831 -9.335 -0.908 98 3HD1 LEU 12 3HD1 LEU 12 -3.174 -10.333 -0.352 99 1HD2 LEU 12 1HD2 LEU 12 -3.379 -7.110 1.383 100 2HD2 LEU 12 2HD2 LEU 12 -3.125 -7.577 -0.298 101 3HD2 LEU 12 3HD2 LEU 12 -1.769 -7.003 0.671 102 H ASN 13 H ASN 13 -5.816 -9.298 3.995 103 HA ASN 13 HA ASN 13 -6.402 -6.542 3.900 104 1HB ASN 13 2HB ASN 13 -7.890 -8.884 5.089 105 2HB ASN 13 1HB ASN 13 -8.536 -7.248 5.111 106 1HD2 ASN 13 1HD2 ASN 13 -9.775 -9.427 3.853 107 2HD2 ASN 13 2HD2 ASN 13 -9.806 -9.121 2.154 108 H GLN 14 H GLN 14 -5.632 -8.710 6.587 109 HA GLN 14 HA GLN 14 -6.141 -6.865 8.665 110 1HB GLN 14 2HB GLN 14 -4.913 -9.507 8.401 111 2HB GLN 14 1HB GLN 14 -4.165 -8.525 9.651 112 1HG GLN 14 2HG GLN 14 -5.796 -9.131 11.012 113 2HG GLN 14 1HG GLN 14 -6.909 -8.197 10.015 114 1HE2 GLN 14 1HE2 GLN 14 -5.555 -11.385 10.577 115 2HE2 GLN 14 2HE2 GLN 14 -6.827 -12.265 9.810 116 H LEU 15 H LEU 15 -3.238 -7.590 6.768 117 HA LEU 15 HA LEU 15 -1.415 -6.048 8.248 118 1HB LEU 15 2HB LEU 15 -1.446 -6.778 5.321 119 2HB LEU 15 1HB LEU 15 -0.097 -5.982 6.108 120 HG LEU 15 HG LEU 15 -1.125 -8.622 7.108 121 1HD1 LEU 15 1HD1 LEU 15 -0.530 -8.619 4.606 122 2HD1 LEU 15 2HD1 LEU 15 0.221 -9.830 5.645 123 3HD1 LEU 15 3HD1 LEU 15 1.132 -8.403 5.152 124 1HD2 LEU 15 1HD2 LEU 15 1.729 -7.879 7.171 125 2HD2 LEU 15 2HD2 LEU 15 0.731 -8.667 8.392 126 3HD2 LEU 15 3HD2 LEU 15 0.657 -6.917 8.188 127 H MET 16 H MET 16 -3.438 -5.196 5.444 128 HA MET 16 HA MET 16 -2.512 -2.548 5.157 129 1HB MET 16 2HB MET 16 -4.914 -4.063 4.253 130 2HB MET 16 1HB MET 16 -4.988 -2.307 4.188 131 1HG MET 16 2HG MET 16 -2.847 -3.981 2.898 132 2HG MET 16 1HG MET 16 -4.267 -3.342 2.072 133 1HE MET 16 1HE MET 16 -0.542 -2.506 3.105 134 2HE MET 16 2HE MET 16 -0.486 -1.470 1.679 135 3HE MET 16 3HE MET 16 -1.124 -3.109 1.553 136 H ARG 17 H ARG 17 -5.087 -3.948 7.145 137 HA ARG 17 HA ARG 17 -6.245 -1.531 8.007 138 1HB ARG 17 2HB ARG 17 -6.151 -4.307 9.158 139 2HB ARG 17 1HB ARG 17 -6.889 -2.991 10.061 140 1HG ARG 17 2HG ARG 17 -8.050 -2.735 7.594 141 2HG ARG 17 1HG ARG 17 -7.888 -4.483 7.766 142 1HD ARG 17 2HD ARG 17 -9.454 -4.589 9.369 143 2HD ARG 17 1HD ARG 17 -8.859 -3.138 10.175 144 HE ARG 17 HE ARG 17 -10.263 -2.614 7.718 145 1HH1 ARG 17 1HH1 ARG 17 -10.617 -3.107 11.169 146 2HH1 ARG 17 2HH1 ARG 17 -12.112 -2.242 11.262 147 1HH2 ARG 17 1HH2 ARG 17 -12.236 -1.473 7.851 148 2HH2 ARG 17 2HH2 ARG 17 -13.032 -1.316 9.380 149 H GLN 18 H GLN 18 -3.648 -3.518 9.410 150 HA GLN 18 HA GLN 18 -3.210 -1.818 11.650 151 1HB GLN 18 2HB GLN 18 -1.546 -3.963 10.338 152 2HB GLN 18 1HB GLN 18 -0.971 -3.057 11.730 153 1HG GLN 18 2HG GLN 18 -2.917 -3.832 13.017 154 2HG GLN 18 1HG GLN 18 -3.437 -4.779 11.623 155 1HE2 GLN 18 1HE2 GLN 18 -1.680 -6.281 10.759 156 2HE2 GLN 18 2HE2 GLN 18 -0.793 -7.169 11.947 157 H LEU 19 H LEU 19 -1.741 -2.086 8.442 158 HA LEU 19 HA LEU 19 0.335 -0.229 8.806 159 1HB LEU 19 2HB LEU 19 0.471 -1.643 6.930 160 2HB LEU 19 1HB LEU 19 -1.144 -1.231 6.390 161 HG LEU 19 HG LEU 19 0.784 1.006 6.453 162 1HD1 LEU 19 1HD1 LEU 19 1.869 -1.256 5.535 163 2HD1 LEU 19 2HD1 LEU 19 2.211 0.327 4.839 164 3HD1 LEU 19 3HD1 LEU 19 1.024 -0.733 4.078 165 1HD2 LEU 19 1HD2 LEU 19 -1.310 1.529 5.568 166 2HD2 LEU 19 2HD2 LEU 19 -1.411 0.016 4.666 167 3HD2 LEU 19 3HD2 LEU 19 -0.302 1.283 4.142 168 H GLN 20 H GLN 20 -2.988 0.192 7.605 169 HA GLN 20 HA GLN 20 -2.743 2.972 7.096 170 1HB GLN 20 2HB GLN 20 -4.502 1.353 6.189 171 2HB GLN 20 1HB GLN 20 -5.323 1.554 7.730 172 1HG GLN 20 2HG GLN 20 -4.633 4.104 6.573 173 2HG GLN 20 1HG GLN 20 -5.591 3.128 5.462 174 1HE2 GLN 20 1HE2 GLN 20 -7.547 4.041 5.577 175 2HE2 GLN 20 2HE2 GLN 20 -8.457 4.251 7.023 176 H ARG 21 H ARG 21 -3.741 1.095 9.904 177 HA ARG 21 HA ARG 21 -4.796 3.201 11.445 178 1HB ARG 21 2HB ARG 21 -4.807 0.578 11.770 179 2HB ARG 21 1HB ARG 21 -3.400 0.918 12.765 180 1HG ARG 21 2HG ARG 21 -5.343 2.764 13.565 181 2HG ARG 21 1HG ARG 21 -6.190 1.228 13.369 182 1HD ARG 21 2HD ARG 21 -5.471 1.071 15.550 183 2HD ARG 21 1HD ARG 21 -4.157 0.264 14.694 184 HE ARG 21 HE ARG 21 -2.750 1.965 15.307 185 1HH1 ARG 21 1HH1 ARG 21 -6.055 2.982 15.872 186 2HH1 ARG 21 2HH1 ARG 21 -5.599 4.419 16.721 187 1HH2 ARG 21 1HH2 ARG 21 -2.155 3.870 16.423 188 2HH2 ARG 21 2HH2 ARG 21 -3.385 4.923 17.034 189 H LYS 22 H LYS 22 -1.544 2.509 10.593 190 HA LYS 22 HA LYS 22 0.011 3.208 12.707 191 1HB LYS 22 2HB LYS 22 0.315 3.966 9.801 192 2HB LYS 22 1HB LYS 22 1.562 4.286 11.000 193 1HG LYS 22 2HG LYS 22 0.553 1.518 10.895 194 2HG LYS 22 1HG LYS 22 1.464 2.071 9.487 195 1HD LYS 22 2HD LYS 22 3.385 1.889 10.588 196 2HD LYS 22 1HD LYS 22 2.779 2.893 11.908 197 1HE LYS 22 2HE LYS 22 1.606 0.846 12.781 198 2HE LYS 22 1HE LYS 22 2.489 -0.087 11.576 199 1HZ LYS 22 1HZ LYS 22 3.892 -0.286 13.334 200 2HZ LYS 22 2HZ LYS 22 3.468 1.204 14.011 201 3HZ LYS 22 3HZ LYS 22 4.516 1.147 12.685 202 H ASP 23 H ASP 23 -0.685 5.704 10.263 203 HA ASP 23 HA ASP 23 -1.995 7.596 11.665 204 1HB ASP 23 2HB ASP 23 0.505 7.286 12.915 205 2HB ASP 23 1HB ASP 23 0.590 8.800 12.027 206 HA PRO 24 HA PRO 24 0.734 9.833 8.288 207 1HB PRO 24 2HB PRO 24 2.199 7.534 7.162 208 2HB PRO 24 1HB PRO 24 2.790 9.141 7.595 209 1HG PRO 24 2HG PRO 24 3.406 6.977 9.057 210 2HG PRO 24 1HG PRO 24 3.143 8.562 9.801 211 1HD PRO 24 2HD PRO 24 1.312 6.207 9.681 212 2HD PRO 24 1HD PRO 24 1.618 7.339 11.010 213 H SER 25 H SER 25 -0.630 6.631 8.007 214 HA SER 25 HA SER 25 -1.147 6.642 5.229 215 1HB SER 25 2HB SER 25 -1.285 4.715 7.071 216 2HB SER 25 1HB SER 25 -2.987 5.175 7.054 217 HG SER 25 HG SER 25 -1.707 3.648 5.321 218 H ALA 26 H ALA 26 -2.711 8.227 7.885 219 HA ALA 26 HA ALA 26 -5.328 8.473 7.009 220 1HB ALA 26 1HB ALA 26 -5.010 10.873 8.130 221 2HB ALA 26 2HB ALA 26 -3.544 10.094 8.724 222 3HB ALA 26 3HB ALA 26 -5.120 9.387 9.072 223 H PHE 27 H PHE 27 -2.447 10.076 5.822 224 HA PHE 27 HA PHE 27 -3.865 12.070 4.316 225 1HB PHE 27 2HB PHE 27 -0.981 11.172 4.142 226 2HB PHE 27 1HB PHE 27 -1.658 12.595 3.356 227 HD1 PHE 27 1HD PHE 27 -0.806 11.090 6.610 228 HD2 PHE 27 2HD PHE 27 -2.031 14.605 4.552 229 HE1 PHE 27 1HE PHE 27 -0.340 12.424 8.625 230 HE2 PHE 27 2HE PHE 27 -1.567 15.948 6.561 231 HZ PHE 27 HZ PHE 27 -0.722 14.858 8.601 232 H PHE 28 H PHE 28 -2.741 8.816 3.744 233 HA PHE 28 HA PHE 28 -3.707 9.005 0.967 234 1HB PHE 28 2HB PHE 28 -1.483 7.249 2.030 235 2HB PHE 28 1HB PHE 28 -2.073 7.265 0.372 236 HD1 PHE 28 2HD PHE 28 -2.348 10.109 -0.180 237 HD2 PHE 28 1HD PHE 28 0.691 8.025 1.947 238 HE1 PHE 28 2HE PHE 28 -0.746 11.886 -0.738 239 HE2 PHE 28 1HE PHE 28 2.301 9.800 1.392 240 HZ PHE 28 HZ PHE 28 1.583 11.733 0.046 241 H SER 29 H SER 29 -5.254 8.384 3.314 242 HA SER 29 HA SER 29 -5.692 5.510 3.205 243 1HB SER 29 2HB SER 29 -6.832 5.723 5.211 244 2HB SER 29 1HB SER 29 -5.696 7.062 5.329 245 HG SER 29 HG SER 29 -7.293 8.470 5.025 246 H PHE 30 H PHE 30 -6.843 8.262 1.614 247 HA PHE 30 HA PHE 30 -9.193 6.776 0.673 248 1HB PHE 30 2HB PHE 30 -9.144 9.343 2.065 249 2HB PHE 30 1HB PHE 30 -9.951 9.442 0.505 250 HD1 PHE 30 1HD PHE 30 -9.852 7.113 3.429 251 HD2 PHE 30 2HD PHE 30 -12.215 9.135 0.524 252 HE1 PHE 30 1HE PHE 30 -11.889 6.161 4.427 253 HE2 PHE 30 2HE PHE 30 -14.255 8.187 1.516 254 HZ PHE 30 HZ PHE 30 -14.095 6.698 3.470 255 HA PRO 31 HA PRO 31 -7.886 7.728 -3.419 256 1HB PRO 31 2HB PRO 31 -10.235 8.424 -4.652 257 2HB PRO 31 1HB PRO 31 -9.766 6.760 -4.293 258 1HG PRO 31 2HG PRO 31 -11.592 8.581 -2.777 259 2HG PRO 31 1HG PRO 31 -11.783 6.857 -3.147 260 1HD PRO 31 2HD PRO 31 -10.966 7.698 -0.731 261 2HD PRO 31 1HD PRO 31 -10.341 6.204 -1.458 262 H VAL 32 H VAL 32 -6.626 9.508 -3.518 263 HA VAL 32 HA VAL 32 -7.236 12.076 -2.737 264 HB VAL 32 HB VAL 32 -5.487 12.769 -4.540 265 1HG1 VAL 32 1HG1 VAL 32 -3.678 11.998 -3.036 266 2HG1 VAL 32 2HG1 VAL 32 -4.852 10.989 -2.191 267 3HG1 VAL 32 3HG1 VAL 32 -5.028 12.744 -2.179 268 1HG2 VAL 32 1HG2 VAL 32 -4.429 10.055 -4.417 269 2HG2 VAL 32 2HG2 VAL 32 -4.502 11.187 -5.768 270 3HG2 VAL 32 3HG2 VAL 32 -5.906 10.200 -5.368 271 H THR 33 H THR 33 -7.934 13.949 -3.737 272 HA THR 33 HA THR 33 -9.088 13.699 -6.423 273 HB THR 33 HB THR 33 -10.690 15.290 -4.520 274 HG1 THR 33 1HG THR 33 -10.326 13.578 -3.157 275 1HG2 THR 33 1HG2 THR 33 -12.240 13.327 -5.778 276 2HG2 THR 33 2HG2 THR 33 -11.087 13.902 -6.981 277 3HG2 THR 33 3HG2 THR 33 -12.145 15.046 -6.155 278 H ASP 34 H ASP 34 -10.248 16.228 -6.576 279 HA ASP 34 HA ASP 34 -7.934 17.855 -6.989 280 1HB ASP 34 2HB ASP 34 -10.428 17.715 -8.122 281 2HB ASP 34 1HB ASP 34 -10.541 19.184 -7.164 282 H PHE 35 H PHE 35 -9.611 17.238 -4.213 283 HA PHE 35 HA PHE 35 -9.026 19.906 -3.109 284 1HB PHE 35 2HB PHE 35 -11.094 18.042 -1.957 285 2HB PHE 35 1HB PHE 35 -10.895 19.766 -1.672 286 HD1 PHE 35 1HD PHE 35 -11.726 17.338 -4.370 287 HD2 PHE 35 2HD PHE 35 -12.206 21.276 -2.829 288 HE1 PHE 35 1HE PHE 35 -13.390 17.815 -6.118 289 HE2 PHE 35 2HE PHE 35 -13.869 21.761 -4.575 290 HZ PHE 35 HZ PHE 35 -14.463 20.030 -6.223 291 H ILE 36 H ILE 36 -9.237 16.435 -2.419 292 HA ILE 36 HA ILE 36 -7.907 16.558 0.083 293 HB ILE 36 HB ILE 36 -8.624 14.356 -1.821 294 1HG1 ILE 36 2HG1 ILE 36 -9.413 13.760 0.792 295 2HG1 ILE 36 1HG1 ILE 36 -9.635 15.501 0.649 296 1HG2 ILE 36 1HG2 ILE 36 -7.671 12.754 -0.104 297 2HG2 ILE 36 2HG2 ILE 36 -6.750 14.125 0.514 298 3HG2 ILE 36 3HG2 ILE 36 -6.512 13.580 -1.147 299 1HD1 ILE 36 1HD1 ILE 36 -10.777 13.455 -1.238 300 2HD1 ILE 36 2HD1 ILE 36 -11.062 15.196 -1.270 301 3HD1 ILE 36 3HD1 ILE 36 -11.653 14.230 0.082 302 H ALA 37 H ALA 37 -6.854 16.168 -3.251 303 HA ALA 37 HA ALA 37 -4.049 16.043 -2.337 304 1HB ALA 37 1HB ALA 37 -5.461 14.870 -4.679 305 2HB ALA 37 2HB ALA 37 -4.235 14.163 -3.627 306 3HB ALA 37 3HB ALA 37 -3.771 15.333 -4.861 307 HA PRO 38 HA PRO 38 -3.361 19.979 -4.180 308 1HB PRO 38 2HB PRO 38 -0.637 19.426 -4.861 309 2HB PRO 38 1HB PRO 38 -1.245 20.326 -3.473 310 1HG PRO 38 2HG PRO 38 0.001 17.861 -3.350 311 2HG PRO 38 1HG PRO 38 -1.039 18.539 -2.091 312 1HD PRO 38 2HD PRO 38 -1.646 16.471 -4.143 313 2HD PRO 38 1HD PRO 38 -2.258 16.637 -2.488 314 H GLY 39 H GLY 39 -3.472 17.325 -5.983 315 1HA GLY 39 2HA GLY 39 -4.316 17.988 -8.319 316 2HA GLY 39 1HA GLY 39 -2.692 18.638 -8.493 317 H TYR 40 H TYR 40 -3.548 15.641 -6.827 318 HA TYR 40 HA TYR 40 -1.556 14.109 -8.039 319 1HB TYR 40 2HB TYR 40 -4.024 13.483 -6.484 320 2HB TYR 40 1HB TYR 40 -3.270 12.168 -7.378 321 HD1 TYR 40 2HD TYR 40 -1.816 15.028 -5.466 322 HD2 TYR 40 1HD TYR 40 -2.160 10.796 -5.852 323 HE1 TYR 40 2HE TYR 40 -0.209 14.733 -3.632 324 HE2 TYR 40 1HE TYR 40 -0.554 10.497 -4.020 325 HH TYR 40 HH TYR 40 0.400 13.034 -1.969 326 H SER 41 H SER 41 -4.981 14.475 -8.910 327 HA SER 41 HA SER 41 -5.015 12.594 -10.996 328 1HB SER 41 2HB SER 41 -6.725 14.879 -10.171 329 2HB SER 41 1HB SER 41 -6.899 14.319 -11.835 330 HG SER 41 HG SER 41 -8.209 12.952 -10.865 331 H MET 42 H MET 42 -3.713 15.818 -10.871 332 HA MET 42 HA MET 42 -3.709 16.282 -13.687 333 1HB MET 42 2HB MET 42 -3.576 17.981 -11.724 334 2HB MET 42 1HB MET 42 -1.850 17.650 -11.774 335 1HG MET 42 2HG MET 42 -1.575 18.638 -13.823 336 2HG MET 42 1HG MET 42 -3.252 18.375 -14.296 337 1HE MET 42 1HE MET 42 -4.882 21.616 -13.702 338 2HE MET 42 2HE MET 42 -5.288 19.912 -13.500 339 3HE MET 42 3HE MET 42 -4.382 20.441 -14.917 340 H ILE 43 H ILE 43 -1.147 15.343 -11.370 341 HA ILE 43 HA ILE 43 0.579 14.712 -13.663 342 HB ILE 43 HB ILE 43 1.237 16.244 -11.620 343 1HG1 ILE 43 2HG1 ILE 43 3.492 14.470 -12.201 344 2HG1 ILE 43 1HG1 ILE 43 2.602 14.958 -13.641 345 1HG2 ILE 43 1HG2 ILE 43 2.556 15.014 -9.945 346 2HG2 ILE 43 2HG2 ILE 43 1.942 13.500 -10.602 347 3HG2 ILE 43 3HG2 ILE 43 0.833 14.654 -9.861 348 1HD1 ILE 43 1HD1 ILE 43 3.015 17.236 -11.974 349 2HD1 ILE 43 2HD1 ILE 43 3.587 16.932 -13.614 350 3HD1 ILE 43 3HD1 ILE 43 4.548 16.405 -12.233 351 H ILE 44 H ILE 44 -0.577 13.321 -10.609 352 HA ILE 44 HA ILE 44 0.548 10.726 -11.297 353 HB ILE 44 HB ILE 44 -0.910 11.717 -8.844 354 1HG1 ILE 44 2HG1 ILE 44 1.292 12.569 -8.867 355 2HG1 ILE 44 1HG1 ILE 44 1.337 11.179 -7.792 356 1HG2 ILE 44 1HG2 ILE 44 0.163 8.968 -9.432 357 2HG2 ILE 44 2HG2 ILE 44 -1.513 9.412 -9.124 358 3HG2 ILE 44 3HG2 ILE 44 -0.320 9.528 -7.833 359 1HD1 ILE 44 1HD1 ILE 44 3.223 10.807 -8.996 360 2HD1 ILE 44 2HD1 ILE 44 2.581 11.566 -10.452 361 3HD1 ILE 44 3HD1 ILE 44 2.065 9.941 -10.005 362 H LYS 45 H LYS 45 -0.708 10.207 -13.101 363 HA LYS 45 HA LYS 45 -3.497 10.290 -13.259 364 1HB LYS 45 2HB LYS 45 -1.364 8.788 -14.714 365 2HB LYS 45 1HB LYS 45 -3.051 8.385 -15.007 366 1HG LYS 45 2HG LYS 45 -3.368 10.903 -15.425 367 2HG LYS 45 1HG LYS 45 -1.610 10.950 -15.563 368 1HD LYS 45 2HD LYS 45 -2.605 8.763 -17.110 369 2HD LYS 45 1HD LYS 45 -3.502 10.221 -17.535 370 1HE LYS 45 2HE LYS 45 -0.525 10.333 -17.318 371 2HE LYS 45 1HE LYS 45 -1.262 9.631 -18.758 372 1HZ LYS 45 1HZ LYS 45 -0.725 12.204 -18.541 373 2HZ LYS 45 2HZ LYS 45 -2.283 12.223 -17.886 374 3HZ LYS 45 3HZ LYS 45 -2.030 11.628 -19.450 375 H HIS 46 H HIS 46 -1.367 7.663 -12.150 376 HA HIS 46 HA HIS 46 -3.786 6.213 -11.302 377 1HB HIS 46 2HB HIS 46 -2.298 4.146 -11.446 378 2HB HIS 46 1HB HIS 46 -2.780 4.889 -12.966 379 HD1 HIS 46 1HD HIS 46 0.208 4.780 -10.634 380 HD2 HIS 46 2HD HIS 46 -0.707 5.518 -14.623 381 HE1 HIS 46 1HE HIS 46 2.428 5.022 -11.807 382 HE2 HIS 46 2HE HIS 46 1.843 5.592 -14.189 383 HA PRO 47 HA PRO 47 -1.524 6.847 -7.367 384 1HB PRO 47 2HB PRO 47 -3.337 8.344 -6.120 385 2HB PRO 47 1HB PRO 47 -2.203 9.037 -7.274 386 1HG PRO 47 2HG PRO 47 -5.101 8.614 -7.535 387 2HG PRO 47 1HG PRO 47 -4.043 9.696 -8.457 388 1HD PRO 47 2HD PRO 47 -5.004 7.051 -9.173 389 2HD PRO 47 1HD PRO 47 -4.072 8.193 -10.161 390 H MET 48 H MET 48 -2.010 4.609 -7.231 391 HA MET 48 HA MET 48 -4.496 3.572 -6.307 392 1HB MET 48 2HB MET 48 -1.822 2.211 -6.022 393 2HB MET 48 1HB MET 48 -3.408 1.458 -6.137 394 1HG MET 48 2HG MET 48 -1.839 2.830 -8.292 395 2HG MET 48 1HG MET 48 -2.373 1.154 -8.232 396 1HE MET 48 1HE MET 48 -6.221 1.502 -8.753 397 2HE MET 48 2HE MET 48 -5.188 1.135 -7.374 398 3HE MET 48 3HE MET 48 -4.883 0.369 -8.933 399 H ASP 49 H ASP 49 -4.944 4.975 -4.514 400 HA ASP 49 HA ASP 49 -3.350 5.139 -2.196 401 1HB ASP 49 2HB ASP 49 -6.344 5.451 -2.495 402 2HB ASP 49 1HB ASP 49 -5.410 5.934 -1.082 403 H PHE 50 H PHE 50 -4.290 4.352 0.014 404 HA PHE 50 HA PHE 50 -4.112 1.542 0.054 405 1HB PHE 50 2HB PHE 50 -3.515 2.196 2.129 406 2HB PHE 50 1HB PHE 50 -4.408 3.705 2.003 407 HD1 PHE 50 2HD PHE 50 -6.919 3.622 2.395 408 HD2 PHE 50 1HD PHE 50 -4.269 0.483 3.495 409 HE1 PHE 50 2HE PHE 50 -8.599 2.765 3.980 410 HE2 PHE 50 1HE PHE 50 -5.938 -0.379 5.082 411 HZ PHE 50 HZ PHE 50 -8.108 0.764 5.326 412 H SER 51 H SER 51 -6.870 3.727 -0.037 413 HA SER 51 HA SER 51 -8.834 1.754 0.616 414 1HB SER 51 2HB SER 51 -10.227 3.660 -0.755 415 2HB SER 51 1HB SER 51 -9.840 3.754 0.963 416 HG SER 51 HG SER 51 -8.253 5.159 0.544 417 H THR 52 H THR 52 -7.632 3.131 -2.424 418 HA THR 52 HA THR 52 -9.431 1.816 -4.138 419 HB THR 52 HB THR 52 -6.603 2.441 -4.951 420 HG1 THR 52 1HG THR 52 -7.111 4.588 -5.077 421 1HG2 THR 52 1HG2 THR 52 -7.605 3.159 -7.021 422 2HG2 THR 52 2HG2 THR 52 -9.219 2.866 -6.373 423 3HG2 THR 52 3HG2 THR 52 -8.118 1.514 -6.645 424 H MET 53 H MET 53 -6.115 0.936 -3.172 425 HA MET 53 HA MET 53 -6.056 -1.516 -4.559 426 1HB MET 53 2HB MET 53 -4.091 -2.047 -3.237 427 2HB MET 53 1HB MET 53 -4.026 -0.370 -3.756 428 1HG MET 53 2HG MET 53 -3.498 0.045 -1.632 429 2HG MET 53 1HG MET 53 -5.226 -0.124 -1.341 430 1HE MET 53 1HE MET 53 -2.014 -2.113 -1.853 431 2HE MET 53 2HE MET 53 -1.966 -3.228 -0.487 432 3HE MET 53 3HE MET 53 -1.717 -1.501 -0.225 433 H LYS 54 H LYS 54 -7.011 -0.704 -1.231 434 HA LYS 54 HA LYS 54 -7.327 -3.302 -0.244 435 1HB LYS 54 2HB LYS 54 -8.359 -0.622 0.499 436 2HB LYS 54 1HB LYS 54 -9.246 -2.003 1.128 437 1HG LYS 54 2HG LYS 54 -6.342 -2.202 1.441 438 2HG LYS 54 1HG LYS 54 -7.080 -0.858 2.311 439 1HD LYS 54 2HD LYS 54 -7.956 -3.742 2.487 440 2HD LYS 54 1HD LYS 54 -6.951 -2.909 3.674 441 1HE LYS 54 2HE LYS 54 -9.383 -1.442 3.083 442 2HE LYS 54 1HE LYS 54 -9.723 -3.071 3.660 443 1HZ LYS 54 1HZ LYS 54 -7.715 -1.585 5.148 444 2HZ LYS 54 2HZ LYS 54 -8.942 -2.604 5.704 445 3HZ LYS 54 3HZ LYS 54 -9.300 -1.009 5.272 446 H GLU 55 H GLU 55 -9.639 -1.212 -1.955 447 HA GLU 55 HA GLU 55 -11.856 -2.939 -1.758 448 1HB GLU 55 2HB GLU 55 -11.812 -0.489 -2.510 449 2HB GLU 55 1HB GLU 55 -11.333 -1.096 -4.088 450 1HG GLU 55 2HG GLU 55 -13.492 -1.264 -4.553 451 2HG GLU 55 1HG GLU 55 -13.538 -2.629 -3.439 452 H LYS 56 H LYS 56 -9.179 -2.731 -4.045 453 HA LYS 56 HA LYS 56 -10.204 -4.632 -5.893 454 1HB LYS 56 2HB LYS 56 -7.683 -3.179 -5.482 455 2HB LYS 56 1HB LYS 56 -7.487 -4.769 -6.207 456 1HG LYS 56 2HG LYS 56 -7.670 -3.204 -7.974 457 2HG LYS 56 1HG LYS 56 -9.184 -4.108 -7.920 458 1HD LYS 56 2HD LYS 56 -9.161 -1.675 -6.278 459 2HD LYS 56 1HD LYS 56 -8.983 -1.386 -8.007 460 1HE LYS 56 2HE LYS 56 -11.152 -3.102 -6.812 461 2HE LYS 56 1HE LYS 56 -11.346 -1.385 -7.158 462 1HZ LYS 56 1HZ LYS 56 -10.779 -1.901 -9.503 463 2HZ LYS 56 2HZ LYS 56 -12.214 -2.628 -8.980 464 3HZ LYS 56 3HZ LYS 56 -10.802 -3.550 -9.117 465 H ILE 57 H ILE 57 -8.135 -4.888 -3.013 466 HA ILE 57 HA ILE 57 -7.333 -7.560 -3.346 467 HB ILE 57 HB ILE 57 -7.930 -6.487 -0.606 468 1HG1 ILE 57 2HG1 ILE 57 -5.757 -5.587 -2.487 469 2HG1 ILE 57 1HG1 ILE 57 -6.814 -4.614 -1.473 470 1HG2 ILE 57 1HG2 ILE 57 -6.492 -8.063 0.125 471 2HG2 ILE 57 2HG2 ILE 57 -5.418 -7.885 -1.261 472 3HG2 ILE 57 3HG2 ILE 57 -6.897 -8.834 -1.410 473 1HD1 ILE 57 1HD1 ILE 57 -4.586 -6.373 -0.486 474 2HD1 ILE 57 2HD1 ILE 57 -5.633 -5.362 0.510 475 3HD1 ILE 57 3HD1 ILE 57 -4.529 -4.619 -0.647 476 H LYS 58 H LYS 58 -10.254 -6.185 -1.890 477 HA LYS 58 HA LYS 58 -11.328 -8.537 -0.809 478 1HB LYS 58 2HB LYS 58 -12.147 -5.858 -1.118 479 2HB LYS 58 1HB LYS 58 -13.413 -6.836 -1.847 480 1HG LYS 58 2HG LYS 58 -12.386 -7.620 0.830 481 2HG LYS 58 1HG LYS 58 -13.447 -6.215 0.705 482 1HD LYS 58 2HD LYS 58 -15.244 -7.507 0.440 483 2HD LYS 58 1HD LYS 58 -14.466 -8.425 -0.851 484 1HE LYS 58 2HE LYS 58 -14.898 -10.032 0.779 485 2HE LYS 58 1HE LYS 58 -13.201 -9.623 1.036 486 1HZ LYS 58 1HZ LYS 58 -14.334 -7.889 2.679 487 2HZ LYS 58 2HZ LYS 58 -13.922 -9.456 3.159 488 3HZ LYS 58 3HZ LYS 58 -15.517 -9.097 2.727 489 H ASN 59 H ASN 59 -11.100 -7.488 -4.115 490 HA ASN 59 HA ASN 59 -13.019 -9.525 -4.996 491 1HB ASN 59 2HB ASN 59 -11.859 -7.057 -6.216 492 2HB ASN 59 1HB ASN 59 -12.378 -8.353 -7.285 493 1HD2 ASN 59 1HD2 ASN 59 -13.419 -6.051 -4.864 494 2HD2 ASN 59 2HD2 ASN 59 -15.099 -6.109 -5.261 495 H ASN 60 H ASN 60 -10.160 -9.968 -3.988 496 HA ASN 60 HA ASN 60 -8.396 -11.315 -4.436 497 1HB ASN 60 2HB ASN 60 -10.630 -12.522 -5.706 498 2HB ASN 60 1HB ASN 60 -9.258 -12.685 -6.798 499 1HD2 ASN 60 1HD2 ASN 60 -10.064 -13.031 -3.359 500 2HD2 ASN 60 2HD2 ASN 60 -9.107 -14.446 -3.105 501 H ASP 61 H ASP 61 -8.757 -8.691 -5.867 502 HA ASP 61 HA ASP 61 -7.463 -9.011 -8.413 503 1HB ASP 61 2HB ASP 61 -8.983 -7.034 -7.303 504 2HB ASP 61 1HB ASP 61 -7.367 -6.361 -7.124 505 H TYR 62 H TYR 62 -6.495 -8.284 -5.119 506 HA TYR 62 HA TYR 62 -3.685 -8.363 -5.985 507 1HB TYR 62 2HB TYR 62 -4.914 -6.615 -3.842 508 2HB TYR 62 1HB TYR 62 -3.182 -6.795 -4.098 509 HD1 TYR 62 2HD TYR 62 -2.514 -6.447 -6.716 510 HD2 TYR 62 1HD TYR 62 -5.864 -4.721 -4.736 511 HE1 TYR 62 2HE TYR 62 -2.599 -4.673 -8.415 512 HE2 TYR 62 1HE TYR 62 -5.951 -2.941 -6.428 513 HH TYR 62 HH TYR 62 -5.204 -2.706 -8.891 514 H GLN 63 H GLN 63 -3.040 -10.331 -5.418 515 HA GLN 63 HA GLN 63 -3.188 -11.097 -2.607 516 1HB GLN 63 2HB GLN 63 -4.141 -12.820 -4.901 517 2HB GLN 63 1HB GLN 63 -3.780 -13.453 -3.301 518 1HG GLN 63 2HG GLN 63 -5.716 -11.206 -3.572 519 2HG GLN 63 1HG GLN 63 -6.224 -12.842 -3.982 520 1HE2 GLN 63 1HE2 GLN 63 -5.870 -14.500 -2.311 521 2HE2 GLN 63 2HE2 GLN 63 -6.063 -14.045 -0.657 522 H SER 64 H SER 64 -1.207 -10.187 -4.707 523 HA SER 64 HA SER 64 0.741 -12.341 -4.305 524 1HB SER 64 2HB SER 64 0.623 -10.560 -6.752 525 2HB SER 64 1HB SER 64 1.683 -11.943 -6.489 526 HG SER 64 HG SER 64 -0.995 -11.864 -7.216 527 H ILE 65 H ILE 65 2.632 -11.721 -3.507 528 HA ILE 65 HA ILE 65 2.984 -9.322 -2.193 529 HB ILE 65 HB ILE 65 5.419 -9.909 -2.124 530 1HG1 ILE 65 2HG1 ILE 65 5.536 -12.524 -2.915 531 2HG1 ILE 65 1HG1 ILE 65 4.534 -11.823 -4.180 532 1HG2 ILE 65 1HG2 ILE 65 4.919 -12.185 -0.952 533 2HG2 ILE 65 2HG2 ILE 65 3.240 -11.741 -1.261 534 3HG2 ILE 65 3HG2 ILE 65 4.270 -10.680 -0.298 535 1HD1 ILE 65 1HD1 ILE 65 7.031 -10.404 -3.449 536 2HD1 ILE 65 2HD1 ILE 65 6.227 -10.559 -5.012 537 3HD1 ILE 65 3HD1 ILE 65 7.160 -11.909 -4.361 538 H GLU 66 H GLU 66 4.000 -10.235 -5.458 539 HA GLU 66 HA GLU 66 5.498 -7.871 -5.975 540 1HB GLU 66 2HB GLU 66 5.537 -10.154 -7.206 541 2HB GLU 66 1HB GLU 66 4.168 -9.521 -8.108 542 1HG GLU 66 2HG GLU 66 5.641 -7.531 -8.661 543 2HG GLU 66 1HG GLU 66 6.982 -8.484 -8.028 544 H GLU 67 H GLU 67 2.153 -8.860 -6.621 545 HA GLU 67 HA GLU 67 1.414 -6.559 -8.097 546 1HB GLU 67 2HB GLU 67 -0.146 -8.665 -6.615 547 2HB GLU 67 1HB GLU 67 -0.946 -7.311 -7.406 548 1HG GLU 67 2HG GLU 67 0.917 -8.528 -9.211 549 2HG GLU 67 1HG GLU 67 -0.163 -9.749 -8.538 550 H LEU 68 H LEU 68 0.980 -7.448 -4.679 551 HA LEU 68 HA LEU 68 -0.411 -5.170 -3.845 552 1HB LEU 68 2HB LEU 68 1.287 -7.214 -2.499 553 2HB LEU 68 1HB LEU 68 0.926 -5.750 -1.610 554 HG LEU 68 HG LEU 68 -0.632 -7.515 -1.025 555 1HD1 LEU 68 1HD1 LEU 68 -1.656 -5.467 -0.763 556 2HD1 LEU 68 2HD1 LEU 68 -2.786 -6.309 -1.824 557 3HD1 LEU 68 3HD1 LEU 68 -1.662 -5.125 -2.493 558 1HD2 LEU 68 1HD2 LEU 68 -0.643 -8.885 -2.959 559 2HD2 LEU 68 2HD2 LEU 68 -1.224 -7.566 -3.975 560 3HD2 LEU 68 3HD2 LEU 68 -2.284 -8.275 -2.757 561 H LYS 69 H LYS 69 3.045 -5.774 -4.179 562 HA LYS 69 HA LYS 69 3.887 -3.331 -2.988 563 1HB LYS 69 2HB LYS 69 5.179 -5.604 -3.616 564 2HB LYS 69 1HB LYS 69 5.634 -4.627 -5.007 565 1HG LYS 69 2HG LYS 69 6.702 -3.018 -3.656 566 2HG LYS 69 1HG LYS 69 5.978 -3.667 -2.184 567 1HD LYS 69 2HD LYS 69 7.700 -5.457 -3.828 568 2HD LYS 69 1HD LYS 69 8.476 -4.215 -2.847 569 1HE LYS 69 2HE LYS 69 6.620 -6.389 -1.884 570 2HE LYS 69 1HE LYS 69 8.356 -6.275 -1.592 571 1HZ LYS 69 1HZ LYS 69 7.505 -3.933 -0.620 572 2HZ LYS 69 2HZ LYS 69 7.689 -5.328 0.316 573 3HZ LYS 69 3HZ LYS 69 6.165 -4.909 -0.279 574 H ASP 70 H ASP 70 3.184 -4.337 -6.301 575 HA ASP 70 HA ASP 70 4.218 -2.133 -7.663 576 1HB ASP 70 2HB ASP 70 2.986 -4.411 -8.434 577 2HB ASP 70 1HB ASP 70 1.678 -3.261 -8.694 578 H ASN 71 H ASN 71 0.960 -2.609 -6.298 579 HA ASN 71 HA ASN 71 0.001 -0.059 -7.144 580 1HB ASN 71 2HB ASN 71 -1.035 -2.357 -5.686 581 2HB ASN 71 1HB ASN 71 -1.596 -0.832 -5.006 582 1HD2 ASN 71 1HD2 ASN 71 -3.629 -0.696 -5.691 583 2HD2 ASN 71 2HD2 ASN 71 -4.131 -0.777 -7.340 584 H PHE 72 H PHE 72 1.083 -1.315 -3.982 585 HA PHE 72 HA PHE 72 0.702 1.046 -2.525 586 1HB PHE 72 2HB PHE 72 1.309 -1.357 -1.709 587 2HB PHE 72 1HB PHE 72 2.975 -0.827 -1.916 588 HD1 PHE 72 2HD PHE 72 -0.207 0.236 -0.287 589 HD2 PHE 72 1HD PHE 72 4.048 0.208 -0.150 590 HE1 PHE 72 2HE PHE 72 -0.274 1.298 1.930 591 HE2 PHE 72 1HE PHE 72 3.986 1.270 2.068 592 HZ PHE 72 HZ PHE 72 1.824 1.816 3.110 593 H LYS 73 H LYS 73 3.502 -0.105 -4.371 594 HA LYS 73 HA LYS 73 5.224 2.033 -3.670 595 1HB LYS 73 2HB LYS 73 5.230 0.018 -5.902 596 2HB LYS 73 1HB LYS 73 6.421 1.311 -5.844 597 1HG LYS 73 2HG LYS 73 6.888 0.463 -3.450 598 2HG LYS 73 1HG LYS 73 6.053 -0.998 -3.980 599 1HD LYS 73 2HD LYS 73 8.051 -1.658 -4.749 600 2HD LYS 73 1HD LYS 73 7.777 -0.508 -6.060 601 1HE LYS 73 2HE LYS 73 9.793 0.269 -5.368 602 2HE LYS 73 1HE LYS 73 8.776 1.172 -4.247 603 1HZ LYS 73 1HZ LYS 73 9.664 -1.483 -3.407 604 2HZ LYS 73 2HZ LYS 73 9.436 -0.079 -2.493 605 3HZ LYS 73 3HZ LYS 73 10.827 -0.256 -3.441 606 H LEU 74 H LEU 74 2.886 1.580 -6.300 607 HA LEU 74 HA LEU 74 3.674 3.747 -7.893 608 1HB LEU 74 2HB LEU 74 1.056 2.335 -7.503 609 2HB LEU 74 1HB LEU 74 1.153 3.749 -8.536 610 HG LEU 74 HG LEU 74 2.968 1.390 -8.969 611 1HD1 LEU 74 1HD1 LEU 74 0.146 1.743 -9.956 612 2HD1 LEU 74 2HD1 LEU 74 0.799 0.407 -9.007 613 3HD1 LEU 74 3HD1 LEU 74 1.311 0.634 -10.680 614 1HD2 LEU 74 1HD2 LEU 74 3.634 2.483 -10.790 615 2HD2 LEU 74 2HD2 LEU 74 2.821 3.897 -10.120 616 3HD2 LEU 74 3HD2 LEU 74 1.978 2.855 -11.266 617 H MET 75 H MET 75 1.288 3.601 -5.240 618 HA MET 75 HA MET 75 0.602 6.347 -5.421 619 1HB MET 75 2HB MET 75 -0.512 4.264 -4.126 620 2HB MET 75 1HB MET 75 0.329 5.030 -2.786 621 1HG MET 75 2HG MET 75 -1.063 7.003 -4.356 622 2HG MET 75 1HG MET 75 -2.158 5.716 -3.851 623 1HE MET 75 1HE MET 75 0.066 8.722 -1.250 624 2HE MET 75 2HE MET 75 0.266 8.414 -2.972 625 3HE MET 75 3HE MET 75 1.022 7.345 -1.792 626 H CYS 76 H CYS 76 2.860 4.572 -3.322 627 HA CYS 76 HA CYS 76 3.678 6.739 -1.747 628 1HB CYS 76 2HB CYS 76 4.511 4.012 -2.181 629 2HB CYS 76 1HB CYS 76 5.920 5.060 -2.047 630 HG CYS 76 HG CYS 76 3.788 4.761 0.202 631 H THR 77 H THR 77 5.131 5.426 -4.725 632 HA THR 77 HA THR 77 7.186 7.377 -4.877 633 HB THR 77 HB THR 77 6.024 5.726 -7.129 634 HG1 THR 77 1HG THR 77 8.004 5.116 -5.200 635 1HG2 THR 77 1HG2 THR 77 8.629 7.170 -6.806 636 2HG2 THR 77 2HG2 THR 77 7.455 7.283 -8.119 637 3HG2 THR 77 3HG2 THR 77 8.427 5.824 -7.928 638 H ASN 78 H ASN 78 3.919 7.170 -6.210 639 HA ASN 78 HA ASN 78 4.137 9.458 -7.883 640 1HB ASN 78 2HB ASN 78 1.827 7.861 -6.811 641 2HB ASN 78 1HB ASN 78 1.567 9.335 -7.725 642 1HD2 ASN 78 1HD2 ASN 78 0.500 7.147 -8.764 643 2HD2 ASN 78 2HD2 ASN 78 1.400 6.586 -10.122 644 H ALA 79 H ALA 79 3.199 8.933 -4.540 645 HA ALA 79 HA ALA 79 2.119 11.530 -4.106 646 1HB ALA 79 1HB ALA 79 2.858 9.218 -2.403 647 2HB ALA 79 2HB ALA 79 1.353 10.135 -2.481 648 3HB ALA 79 3HB ALA 79 2.746 10.797 -1.626 649 H MET 80 H MET 80 5.316 10.076 -3.679 650 HA MET 80 HA MET 80 6.433 12.406 -2.438 651 1HB MET 80 2HB MET 80 8.560 11.241 -2.565 652 2HB MET 80 1HB MET 80 7.308 10.162 -1.970 653 1HG MET 80 2HG MET 80 7.133 9.139 -4.174 654 2HG MET 80 1HG MET 80 8.380 10.226 -4.782 655 1HE MET 80 1HE MET 80 11.464 9.488 -3.496 656 2HE MET 80 2HE MET 80 10.437 10.037 -4.820 657 3HE MET 80 3HE MET 80 11.145 8.422 -4.864 658 H ILE 81 H ILE 81 6.208 11.210 -5.745 659 HA ILE 81 HA ILE 81 8.188 12.963 -6.792 660 HB ILE 81 HB ILE 81 7.505 10.911 -7.978 661 1HG1 ILE 81 2HG1 ILE 81 6.974 12.372 -10.238 662 2HG1 ILE 81 1HG1 ILE 81 7.691 13.587 -9.184 663 1HG2 ILE 81 1HG2 ILE 81 5.459 10.786 -9.229 664 2HG2 ILE 81 2HG2 ILE 81 4.992 12.402 -8.702 665 3HG2 ILE 81 3HG2 ILE 81 5.086 11.087 -7.534 666 1HD1 ILE 81 1HD1 ILE 81 9.639 12.116 -8.867 667 2HD1 ILE 81 2HD1 ILE 81 9.388 12.575 -10.552 668 3HD1 ILE 81 3HD1 ILE 81 8.925 10.967 -9.997 669 H TYR 82 H TYR 82 4.590 13.168 -6.714 670 HA TYR 82 HA TYR 82 4.602 15.753 -7.952 671 1HB TYR 82 2HB TYR 82 2.656 14.178 -8.059 672 2HB TYR 82 1HB TYR 82 2.360 14.499 -6.352 673 HD1 TYR 82 1HD TYR 82 3.326 16.880 -9.058 674 HD2 TYR 82 2HD TYR 82 0.323 15.633 -6.313 675 HE1 TYR 82 1HE TYR 82 1.975 18.842 -9.655 676 HE2 TYR 82 2HE TYR 82 -1.033 17.590 -6.904 677 HH TYR 82 HH TYR 82 -0.402 19.535 -9.601 678 H ASN 83 H ASN 83 5.168 14.673 -4.743 679 HA ASN 83 HA ASN 83 4.707 17.373 -3.699 680 1HB ASN 83 2HB ASN 83 3.677 15.069 -2.730 681 2HB ASN 83 1HB ASN 83 5.187 15.113 -1.828 682 1HD2 ASN 83 1HD2 ASN 83 2.063 16.487 -2.244 683 2HD2 ASN 83 2HD2 ASN 83 2.128 17.583 -0.910 684 H LYS 84 H LYS 84 6.360 16.652 -1.336 685 HA LYS 84 HA LYS 84 8.977 15.959 -1.933 686 1HB LYS 84 2HB LYS 84 8.268 18.630 -2.837 687 2HB LYS 84 1HB LYS 84 9.551 18.690 -1.638 688 1HG LYS 84 2HG LYS 84 10.542 16.754 -3.171 689 2HG LYS 84 1HG LYS 84 9.566 17.584 -4.384 690 1HD LYS 84 2HD LYS 84 10.826 19.496 -4.289 691 2HD LYS 84 1HD LYS 84 11.308 19.224 -2.615 692 1HE LYS 84 2HE LYS 84 12.340 17.105 -4.222 693 2HE LYS 84 1HE LYS 84 12.749 18.639 -4.986 694 1HZ LYS 84 1HZ LYS 84 14.469 18.547 -3.560 695 2HZ LYS 84 2HZ LYS 84 13.684 17.509 -2.480 696 3HZ LYS 84 3HZ LYS 84 13.358 19.167 -2.445 697 HA PRO 85 HA PRO 85 9.445 16.453 2.438 698 1HB PRO 85 2HB PRO 85 11.917 17.552 2.794 699 2HB PRO 85 1HB PRO 85 11.662 15.868 2.320 700 1HG PRO 85 2HG PRO 85 12.332 18.235 0.615 701 2HG PRO 85 1HG PRO 85 12.993 16.591 0.555 702 1HD PRO 85 2HD PRO 85 11.109 17.442 -1.173 703 2HD PRO 85 1HD PRO 85 11.167 15.766 -0.598 704 H GLU 86 H GLU 86 7.712 18.162 2.143 705 HA GLU 86 HA GLU 86 8.598 20.900 2.580 706 1HB GLU 86 2HB GLU 86 6.373 19.721 1.338 707 2HB GLU 86 1HB GLU 86 5.737 20.508 2.775 708 1HG GLU 86 2HG GLU 86 6.358 22.612 2.059 709 2HG GLU 86 1HG GLU 86 7.585 21.989 0.958 710 H THR 87 H THR 87 6.188 18.778 4.157 711 HA THR 87 HA THR 87 7.117 19.788 6.752 712 HB THR 87 HB THR 87 4.434 19.430 7.201 713 HG1 THR 87 1HG THR 87 4.037 19.264 4.937 714 1HG2 THR 87 1HG2 THR 87 6.117 21.813 6.694 715 2HG2 THR 87 2HG2 THR 87 5.217 21.338 8.135 716 3HG2 THR 87 3HG2 THR 87 4.368 22.025 6.751 717 H ILE 88 H ILE 88 4.366 17.654 6.082 718 HA ILE 88 HA ILE 88 5.905 15.424 7.230 719 HB ILE 88 HB ILE 88 2.976 15.918 7.779 720 1HG1 ILE 88 2HG1 ILE 88 5.068 16.224 9.892 721 2HG1 ILE 88 1HG1 ILE 88 4.839 17.552 8.760 722 1HG2 ILE 88 1HG2 ILE 88 4.914 13.797 8.456 723 2HG2 ILE 88 2HG2 ILE 88 3.167 13.712 8.234 724 3HG2 ILE 88 3HG2 ILE 88 3.836 14.308 9.753 725 1HD1 ILE 88 1HD1 ILE 88 3.496 17.269 11.076 726 2HD1 ILE 88 2HD1 ILE 88 2.373 16.501 9.953 727 3HD1 ILE 88 3HD1 ILE 88 2.894 18.164 9.682 728 H TYR 89 H TYR 89 4.444 16.452 4.473 729 HA TYR 89 HA TYR 89 2.890 14.189 3.735 730 1HB TYR 89 2HB TYR 89 4.160 16.406 2.128 731 2HB TYR 89 1HB TYR 89 3.208 15.124 1.387 732 HD1 TYR 89 1HD TYR 89 0.791 14.863 2.072 733 HD2 TYR 89 2HD TYR 89 3.116 18.266 3.126 734 HE1 TYR 89 1HE TYR 89 -1.269 16.126 2.518 735 HE2 TYR 89 2HE TYR 89 1.062 19.539 3.577 736 HH TYR 89 HH TYR 89 -1.596 19.157 2.559 737 H TYR 90 H TYR 90 6.230 15.191 2.987 738 HA TYR 90 HA TYR 90 6.849 12.934 1.391 739 1HB TYR 90 2HB TYR 90 8.118 15.197 1.640 740 2HB TYR 90 1HB TYR 90 8.938 14.400 2.978 741 HD1 TYR 90 1HD TYR 90 8.111 13.866 -0.627 742 HD2 TYR 90 2HD TYR 90 10.870 13.186 2.542 743 HE1 TYR 90 1HE TYR 90 9.671 12.829 -2.216 744 HE2 TYR 90 2HE TYR 90 12.438 12.147 0.958 745 HH TYR 90 HH TYR 90 12.132 12.411 -2.380 746 H LYS 91 H LYS 91 7.474 13.658 4.817 747 HA LYS 91 HA LYS 91 8.815 11.269 5.436 748 1HB LYS 91 2HB LYS 91 7.118 12.939 7.302 749 2HB LYS 91 1HB LYS 91 8.365 11.793 7.768 750 1HG LYS 91 2HG LYS 91 8.785 14.371 6.269 751 2HG LYS 91 1HG LYS 91 9.180 14.062 7.958 752 1HD LYS 91 2HD LYS 91 10.368 12.500 5.670 753 2HD LYS 91 1HD LYS 91 11.116 13.947 6.346 754 1HE LYS 91 2HE LYS 91 12.164 12.512 7.714 755 2HE LYS 91 1HE LYS 91 10.637 12.492 8.594 756 1HZ LYS 91 1HZ LYS 91 10.005 10.491 7.561 757 2HZ LYS 91 2HZ LYS 91 11.617 10.263 8.012 758 3HZ LYS 91 3HZ LYS 91 11.232 10.590 6.398 759 H ALA 92 H ALA 92 5.367 12.084 5.439 760 HA ALA 92 HA ALA 92 4.404 9.781 6.725 761 1HB ALA 92 1HB ALA 92 3.208 11.780 4.861 762 2HB ALA 92 2HB ALA 92 2.780 11.396 6.528 763 3HB ALA 92 3HB ALA 92 2.314 10.303 5.223 764 H ALA 93 H ALA 93 4.923 10.452 3.265 765 HA ALA 93 HA ALA 93 4.011 7.949 2.323 766 1HB ALA 93 1HB ALA 93 4.671 10.256 1.106 767 2HB ALA 93 2HB ALA 93 4.534 8.715 0.260 768 3HB ALA 93 3HB ALA 93 6.117 9.307 0.761 769 H LYS 94 H LYS 94 7.254 9.140 3.158 770 HA LYS 94 HA LYS 94 8.675 6.829 2.403 771 1HB LYS 94 2HB LYS 94 9.467 9.256 3.131 772 2HB LYS 94 1HB LYS 94 9.629 8.479 4.700 773 1HG LYS 94 2HG LYS 94 11.069 6.756 3.622 774 2HG LYS 94 1HG LYS 94 11.006 7.709 2.138 775 1HD LYS 94 2HD LYS 94 12.310 9.388 2.998 776 2HD LYS 94 1HD LYS 94 11.821 9.064 4.663 777 1HE LYS 94 2HE LYS 94 13.211 7.110 4.752 778 2HE LYS 94 1HE LYS 94 13.577 7.235 3.032 779 1HZ LYS 94 1HZ LYS 94 14.511 8.968 5.238 780 2HZ LYS 94 2HZ LYS 94 14.560 9.492 3.631 781 3HZ LYS 94 3HZ LYS 94 15.431 8.119 4.100 782 H LYS 95 H LYS 95 7.331 7.823 5.552 783 HA LYS 95 HA LYS 95 8.244 5.603 7.023 784 1HB LYS 95 2HB LYS 95 7.362 7.716 8.012 785 2HB LYS 95 1HB LYS 95 5.745 7.231 7.528 786 1HG LYS 95 2HG LYS 95 5.898 6.662 9.790 787 2HG LYS 95 1HG LYS 95 6.121 5.140 8.927 788 1HD LYS 95 2HD LYS 95 7.800 5.077 10.532 789 2HD LYS 95 1HD LYS 95 8.645 5.679 9.105 790 1HE LYS 95 2HE LYS 95 7.464 7.813 10.694 791 2HE LYS 95 1HE LYS 95 8.620 6.845 11.611 792 1HZ LYS 95 1HZ LYS 95 9.229 8.003 8.949 793 2HZ LYS 95 2HZ LYS 95 10.314 7.318 10.049 794 3HZ LYS 95 3HZ LYS 95 9.575 8.796 10.402 795 H LEU 96 H LEU 96 5.175 6.169 5.312 796 HA LEU 96 HA LEU 96 3.939 3.745 6.039 797 1HB LEU 96 2HB LEU 96 3.352 5.969 4.340 798 2HB LEU 96 1HB LEU 96 3.053 4.494 3.444 799 HG LEU 96 HG LEU 96 1.067 5.445 4.661 800 1HD1 LEU 96 1HD1 LEU 96 0.592 3.117 5.795 801 2HD1 LEU 96 2HD1 LEU 96 2.066 2.660 4.942 802 3HD1 LEU 96 3HD1 LEU 96 0.682 3.284 4.043 803 1HD2 LEU 96 1HD2 LEU 96 2.777 5.703 6.769 804 2HD2 LEU 96 2HD2 LEU 96 1.893 4.237 7.196 805 3HD2 LEU 96 3HD2 LEU 96 1.018 5.734 6.881 806 H LEU 97 H LEU 97 6.112 4.583 3.381 807 HA LEU 97 HA LEU 97 5.842 2.251 1.849 808 1HB LEU 97 2HB LEU 97 7.198 4.510 1.488 809 2HB LEU 97 1HB LEU 97 8.519 3.538 2.105 810 HG LEU 97 HG LEU 97 6.835 2.684 -0.245 811 1HD1 LEU 97 1HD1 LEU 97 8.115 3.837 -1.707 812 2HD1 LEU 97 2HD1 LEU 97 9.553 3.749 -0.690 813 3HD1 LEU 97 3HD1 LEU 97 8.292 4.930 -0.333 814 1HD2 LEU 97 1HD2 LEU 97 9.232 1.652 1.155 815 2HD2 LEU 97 2HD2 LEU 97 9.217 1.534 -0.603 816 3HD2 LEU 97 3HD2 LEU 97 7.931 0.786 0.341 817 H HIS 98 H HIS 98 8.042 3.016 4.534 818 HA HIS 98 HA HIS 98 9.456 0.577 4.518 819 1HB HIS 98 2HB HIS 98 9.287 2.927 6.212 820 2HB HIS 98 1HB HIS 98 9.416 1.461 7.178 821 HD1 HIS 98 1HD HIS 98 11.144 2.319 3.899 822 HD2 HIS 98 2HD HIS 98 12.040 1.374 7.847 823 HE1 HIS 98 1HE HIS 98 13.652 2.148 3.997 824 HE2 HIS 98 2HE HIS 98 14.162 1.470 6.370 825 H SER 99 H SER 99 6.525 1.611 6.229 826 HA SER 99 HA SER 99 6.211 -0.715 7.801 827 1HB SER 99 2HB SER 99 4.486 1.581 7.028 828 2HB SER 99 1HB SER 99 3.662 0.121 7.577 829 HG SER 99 HG SER 99 4.710 0.261 9.516 830 H GLY 100 H GLY 100 4.828 0.223 4.652 831 1HA GLY 100 2HA GLY 100 3.232 -2.032 4.228 832 2HA GLY 100 1HA GLY 100 3.922 -1.032 2.958 833 H MET 101 H MET 101 6.688 -1.577 3.708 834 HA MET 101 HA MET 101 7.067 -3.958 2.197 835 1HB MET 101 2HB MET 101 8.810 -1.943 3.503 836 2HB MET 101 1HB MET 101 9.515 -3.534 3.253 837 1HG MET 101 2HG MET 101 8.624 -3.245 0.828 838 2HG MET 101 1HG MET 101 8.596 -1.534 1.246 839 1HE MET 101 1HE MET 101 11.635 -0.971 -0.610 840 2HE MET 101 2HE MET 101 11.145 -0.042 0.807 841 3HE MET 101 3HE MET 101 9.924 -0.688 -0.291 842 H LYS 102 H LYS 102 7.533 -3.148 5.636 843 HA LYS 102 HA LYS 102 8.498 -5.636 6.465 844 1HB LYS 102 2HB LYS 102 8.004 -3.205 7.654 845 2HB LYS 102 1HB LYS 102 6.823 -4.255 8.428 846 1HG LYS 102 2HG LYS 102 9.423 -5.501 8.281 847 2HG LYS 102 1HG LYS 102 9.480 -3.944 9.109 848 1HD LYS 102 2HD LYS 102 8.326 -4.712 10.880 849 2HD LYS 102 1HD LYS 102 7.200 -5.617 9.866 850 1HE LYS 102 2HE LYS 102 8.220 -7.477 10.542 851 2HE LYS 102 1HE LYS 102 9.630 -6.961 9.616 852 1HZ LYS 102 1HZ LYS 102 10.631 -6.064 11.502 853 2HZ LYS 102 2HZ LYS 102 9.960 -7.509 12.065 854 3HZ LYS 102 3HZ LYS 102 9.193 -6.039 12.393 855 H ILE 103 H ILE 103 5.151 -4.381 6.457 856 HA ILE 103 HA ILE 103 3.995 -6.703 7.558 857 HB ILE 103 HB ILE 103 1.859 -5.823 6.497 858 1HG1 ILE 103 2HG1 ILE 103 2.807 -3.137 6.171 859 2HG1 ILE 103 1HG1 ILE 103 3.688 -4.203 5.084 860 1HG2 ILE 103 1HG2 ILE 103 1.862 -5.254 8.669 861 2HG2 ILE 103 2HG2 ILE 103 2.142 -3.633 8.037 862 3HG2 ILE 103 3HG2 ILE 103 3.500 -4.604 8.604 863 1HD1 ILE 103 1HD1 ILE 103 1.854 -4.675 3.837 864 2HD1 ILE 103 2HD1 ILE 103 1.411 -3.063 4.399 865 3HD1 ILE 103 3HD1 ILE 103 0.744 -4.487 5.195 866 H LEU 104 H LEU 104 4.607 -5.705 4.213 867 HA LEU 104 HA LEU 104 3.192 -7.827 2.987 868 1HB LEU 104 2HB LEU 104 5.169 -5.803 2.128 869 2HB LEU 104 1HB LEU 104 5.086 -7.254 1.149 870 HG LEU 104 HG LEU 104 2.552 -5.813 1.805 871 1HD1 LEU 104 1HD1 LEU 104 4.506 -4.294 0.850 872 2HD1 LEU 104 2HD1 LEU 104 2.837 -4.126 0.312 873 3HD1 LEU 104 3HD1 LEU 104 3.991 -5.033 -0.666 874 1HD2 LEU 104 1HD2 LEU 104 1.738 -6.842 -0.119 875 2HD2 LEU 104 2HD2 LEU 104 2.779 -8.071 0.597 876 3HD2 LEU 104 3HD2 LEU 104 3.351 -7.119 -0.773 877 H SER 105 H SER 105 6.423 -7.569 4.333 878 HA SER 105 HA SER 105 7.479 -9.927 3.140 879 1HB SER 105 2HB SER 105 8.787 -8.005 4.225 880 2HB SER 105 1HB SER 105 8.398 -8.767 5.769 881 HG SER 105 HG SER 105 10.300 -9.661 5.200 882 H GLN 106 H GLN 106 5.495 -9.322 5.955 883 HA GLN 106 HA GLN 106 5.882 -12.045 6.934 884 1HB GLN 106 2HB GLN 106 4.164 -9.845 8.094 885 2HB GLN 106 1HB GLN 106 4.616 -11.352 8.878 886 1HG GLN 106 2HG GLN 106 6.931 -10.666 8.954 887 2HG GLN 106 1HG GLN 106 6.552 -9.198 8.057 888 1HE2 GLN 106 1HE2 GLN 106 4.558 -8.022 9.177 889 2HE2 GLN 106 2HE2 GLN 106 4.785 -7.741 10.866 890 H GLU 107 H GLU 107 4.403 -11.335 4.382 891 HA GLU 107 HA GLU 107 1.640 -11.894 4.864 892 1HB GLU 107 2HB GLU 107 2.999 -10.797 2.788 893 2HB GLU 107 1HB GLU 107 2.737 -12.422 2.172 894 1HG GLU 107 2HG GLU 107 0.422 -12.192 2.209 895 2HG GLU 107 1HG GLU 107 0.482 -10.819 3.311 896 H ARG 108 H ARG 108 4.474 -13.809 4.037 897 HA ARG 108 HA ARG 108 2.880 -16.241 4.452 898 1HB ARG 108 2HB ARG 108 3.438 -15.635 1.963 899 2HB ARG 108 1HB ARG 108 5.046 -16.213 2.377 900 1HG ARG 108 2HG ARG 108 3.890 -18.333 3.192 901 2HG ARG 108 1HG ARG 108 2.468 -17.739 2.331 902 1HD ARG 108 2HD ARG 108 4.327 -17.436 0.411 903 2HD ARG 108 1HD ARG 108 5.023 -18.799 1.286 904 HE ARG 108 HE ARG 108 2.727 -18.836 -0.403 905 1HH1 ARG 108 1HH1 ARG 108 4.141 -20.336 2.431 906 2HH1 ARG 108 2HH1 ARG 108 3.259 -21.813 2.244 907 1HH2 ARG 108 1HH2 ARG 108 1.567 -20.790 -0.647 908 2HH2 ARG 108 2HH2 ARG 108 1.801 -22.073 0.492 909 H LEU 109 H LEU 109 3.832 -16.132 6.594 910 HA LEU 109 HA LEU 109 6.708 -16.713 6.686 911 1HB LEU 109 2HB LEU 109 6.578 -16.222 9.079 912 2HB LEU 109 1HB LEU 109 6.013 -14.881 8.104 913 HG LEU 109 HG LEU 109 3.673 -16.211 8.643 914 1HD1 LEU 109 1HD1 LEU 109 4.994 -16.135 11.304 915 2HD1 LEU 109 2HD1 LEU 109 5.254 -17.546 10.277 916 3HD1 LEU 109 3HD1 LEU 109 3.618 -17.088 10.748 917 1HD2 LEU 109 1HD2 LEU 109 5.073 -13.833 9.729 918 2HD2 LEU 109 2HD2 LEU 109 3.634 -14.393 10.581 919 3HD2 LEU 109 3HD2 LEU 109 3.534 -13.953 8.876 920 H GLU 110 H GLU 110 7.304 -18.759 6.775 921 HA GLU 110 HA GLU 110 5.874 -20.622 8.502 922 1HB GLU 110 2HB GLU 110 6.016 -20.823 5.529 923 2HB GLU 110 1HB GLU 110 6.163 -22.307 6.459 924 1HG GLU 110 2HG GLU 110 4.013 -22.161 7.286 925 2HG GLU 110 1HG GLU 110 3.907 -20.427 6.995 926 H HIS 111 H HIS 111 8.492 -19.340 8.616 927 HA HIS 111 HA HIS 111 10.207 -21.730 8.431 928 1HB HIS 111 2HB HIS 111 10.637 -19.522 6.977 929 2HB HIS 111 1HB HIS 111 11.462 -19.032 8.452 930 HD1 HIS 111 1HD HIS 111 12.774 -19.758 5.602 931 HD2 HIS 111 2HD HIS 111 12.737 -22.120 9.023 932 HE1 HIS 111 1HE HIS 111 14.723 -21.327 5.359 933 HE2 HIS 111 2HE HIS 111 14.612 -22.818 7.386 934 H HIS 112 H HIS 112 10.895 -22.483 10.317 935 HA HIS 112 HA HIS 112 11.647 -20.705 12.469 936 1HB HIS 112 2HB HIS 112 9.088 -22.121 12.472 937 2HB HIS 112 1HB HIS 112 10.073 -22.500 13.880 938 HD1 HIS 112 1HD HIS 112 10.509 -20.590 15.570 939 HD2 HIS 112 2HD HIS 112 8.130 -19.490 12.347 940 HE1 HIS 112 1HE HIS 112 9.503 -18.374 16.202 941 HE2 HIS 112 2HE HIS 112 8.152 -17.679 14.192 942 H HIS 113 H HIS 113 12.463 -22.024 14.396 943 HA HIS 113 HA HIS 113 13.805 -23.626 15.294 944 1HB HIS 113 2HB HIS 113 12.007 -25.126 13.964 945 2HB HIS 113 1HB HIS 113 13.464 -25.570 13.080 946 HD1 HIS 113 1HD HIS 113 12.470 -25.275 16.752 947 HD2 HIS 113 2HD HIS 113 14.674 -27.704 14.200 948 HE1 HIS 113 1HE HIS 113 13.340 -27.146 18.189 949 HE2 HIS 113 2HE HIS 113 14.729 -28.565 16.638 950 H HIS 114 H HIS 114 15.969 -23.779 15.264 951 HA HIS 114 HA HIS 114 17.361 -23.662 12.676 952 1HB HIS 114 2HB HIS 114 19.018 -22.093 13.742 953 2HB HIS 114 1HB HIS 114 17.421 -21.403 13.478 954 HD1 HIS 114 1HD HIS 114 16.919 -19.894 15.374 955 HD2 HIS 114 2HD HIS 114 18.853 -23.352 16.623 956 HE1 HIS 114 1HE HIS 114 17.050 -19.725 17.882 957 HE2 HIS 114 2HE HIS 114 18.161 -21.864 18.619 958 H HIS 115 H HIS 115 19.872 -23.916 13.189 959 HA HIS 115 HA HIS 115 20.122 -26.497 14.464 960 1HB HIS 115 2HB HIS 115 22.420 -26.474 13.608 961 2HB HIS 115 1HB HIS 115 21.273 -26.065 12.338 962 HD1 HIS 115 1HD HIS 115 21.339 -23.638 11.417 963 HD2 HIS 115 2HD HIS 115 24.201 -24.442 14.321 964 HE1 HIS 115 1HE HIS 115 22.973 -21.731 11.297 965 HE2 HIS 115 2HE HIS 115 24.685 -22.226 13.079 966 H HIS 116 H HIS 116 20.919 -26.914 16.440 967 HA HIS 116 HA HIS 116 21.720 -26.608 18.539 968 1HB HIS 116 2HB HIS 116 23.787 -26.068 17.164 969 2HB HIS 116 1HB HIS 116 23.393 -24.367 17.382 970 HD1 HIS 116 1HD HIS 116 22.787 -26.527 20.322 971 HD2 HIS 116 2HD HIS 116 25.856 -24.162 18.820 972 HE1 HIS 116 1HE HIS 116 24.392 -26.219 22.229 973 HE2 HIS 116 2HE HIS 116 26.163 -24.661 21.338 Start of MODEL 15 1 1H MET 0 1HT MET 0 -7.439 -25.668 -4.884 2 2H MET 0 2HT MET 0 -6.409 -27.039 -4.860 3 3H MET 0 3HT MET 0 -6.951 -26.399 -6.356 4 HA MET 0 HA MET 0 -5.012 -25.307 -4.448 5 1HB MET 0 2HB MET 0 -4.727 -26.862 -6.659 6 2HB MET 0 1HB MET 0 -4.611 -25.261 -7.378 7 1HG MET 0 2HG MET 0 -3.003 -25.718 -4.947 8 2HG MET 0 1HG MET 0 -2.518 -26.611 -6.388 9 1HE MET 0 1HE MET 0 -2.723 -22.682 -4.953 10 2HE MET 0 2HE MET 0 -0.985 -22.814 -5.222 11 3HE MET 0 3HE MET 0 -1.835 -24.065 -4.314 12 H GLU 1 H GLU 1 -7.378 -24.441 -6.921 13 HA GLU 1 HA GLU 1 -6.474 -21.728 -7.142 14 1HB GLU 1 2HB GLU 1 -8.761 -23.309 -8.222 15 2HB GLU 1 1HB GLU 1 -8.905 -21.557 -8.202 16 1HG GLU 1 2HG GLU 1 -6.425 -21.883 -9.268 17 2HG GLU 1 1HG GLU 1 -7.274 -23.296 -9.893 18 H GLU 2 H GLU 2 -9.660 -22.948 -6.069 19 HA GLU 2 HA GLU 2 -10.032 -20.578 -4.448 20 1HB GLU 2 2HB GLU 2 -12.267 -21.585 -3.957 21 2HB GLU 2 1HB GLU 2 -11.949 -21.328 -5.666 22 1HG GLU 2 2HG GLU 2 -11.174 -23.982 -4.741 23 2HG GLU 2 1HG GLU 2 -12.891 -23.636 -4.529 24 H VAL 3 H VAL 3 -7.998 -21.435 -3.236 25 HA VAL 3 HA VAL 3 -8.968 -22.515 -0.723 26 HB VAL 3 HB VAL 3 -6.991 -24.106 -0.588 27 1HG1 VAL 3 1HG1 VAL 3 -9.372 -24.773 -0.886 28 2HG1 VAL 3 2HG1 VAL 3 -8.214 -25.914 -1.570 29 3HG1 VAL 3 3HG1 VAL 3 -9.092 -24.811 -2.627 30 1HG2 VAL 3 1HG2 VAL 3 -6.325 -25.013 -2.874 31 2HG2 VAL 3 2HG2 VAL 3 -5.626 -23.470 -2.391 32 3HG2 VAL 3 3HG2 VAL 3 -6.969 -23.510 -3.531 33 H GLU 4 H GLU 4 -6.100 -21.414 -2.535 34 HA GLU 4 HA GLU 4 -4.929 -20.362 -0.080 35 1HB GLU 4 2HB GLU 4 -3.938 -20.950 -2.819 36 2HB GLU 4 1HB GLU 4 -3.143 -19.651 -1.939 37 1HG GLU 4 2HG GLU 4 -1.960 -21.725 -1.618 38 2HG GLU 4 1HG GLU 4 -2.677 -21.194 -0.097 39 H GLN 5 H GLN 5 -6.720 -19.271 -2.815 40 HA GLN 5 HA GLN 5 -5.867 -16.598 -2.949 41 1HB GLN 5 2HB GLN 5 -8.119 -16.192 -4.012 42 2HB GLN 5 1HB GLN 5 -7.146 -17.446 -4.762 43 1HG GLN 5 2HG GLN 5 -8.951 -18.730 -4.653 44 2HG GLN 5 1HG GLN 5 -8.652 -18.836 -2.920 45 1HE2 GLN 5 1HE2 GLN 5 -10.925 -19.149 -2.662 46 2HE2 GLN 5 2HE2 GLN 5 -12.002 -17.800 -2.705 47 H THR 6 H THR 6 -8.410 -18.144 -1.019 48 HA THR 6 HA THR 6 -9.472 -15.760 0.054 49 HB THR 6 HB THR 6 -9.830 -17.859 1.945 50 HG1 THR 6 1HG THR 6 -10.237 -19.592 0.762 51 1HG2 THR 6 1HG2 THR 6 -11.911 -17.143 1.775 52 2HG2 THR 6 2HG2 THR 6 -12.008 -17.713 0.109 53 3HG2 THR 6 3HG2 THR 6 -11.414 -16.089 0.450 54 HA PRO 7 HA PRO 7 -6.716 -16.822 4.029 55 1HB PRO 7 2HB PRO 7 -4.523 -18.170 2.521 56 2HB PRO 7 1HB PRO 7 -5.119 -18.477 4.157 57 1HG PRO 7 2HG PRO 7 -5.741 -20.120 2.162 58 2HG PRO 7 1HG PRO 7 -6.936 -19.706 3.406 59 1HD PRO 7 2HD PRO 7 -6.713 -18.738 0.595 60 2HD PRO 7 1HD PRO 7 -8.161 -19.068 1.565 61 H LEU 8 H LEU 8 -5.130 -16.390 0.864 62 HA LEU 8 HA LEU 8 -3.113 -14.629 1.687 63 1HB LEU 8 2HB LEU 8 -4.310 -15.465 -0.849 64 2HB LEU 8 1HB LEU 8 -3.710 -13.820 -0.881 65 HG LEU 8 HG LEU 8 -1.805 -15.698 0.298 66 1HD1 LEU 8 1HD1 LEU 8 -3.047 -16.309 -2.312 67 2HD1 LEU 8 2HD1 LEU 8 -2.258 -17.372 -1.149 68 3HD1 LEU 8 3HD1 LEU 8 -1.286 -16.382 -2.237 69 1HD2 LEU 8 1HD2 LEU 8 -0.455 -14.569 -1.644 70 2HD2 LEU 8 2HD2 LEU 8 -0.892 -13.652 -0.203 71 3HD2 LEU 8 3HD2 LEU 8 -1.833 -13.470 -1.683 72 H GLN 9 H GLN 9 -6.432 -14.003 0.600 73 HA GLN 9 HA GLN 9 -6.273 -11.192 0.549 74 1HB GLN 9 2HB GLN 9 -8.103 -12.627 -0.441 75 2HB GLN 9 1HB GLN 9 -8.739 -12.816 1.187 76 1HG GLN 9 2HG GLN 9 -8.870 -10.299 1.295 77 2HG GLN 9 1HG GLN 9 -8.530 -10.297 -0.433 78 1HE2 GLN 9 1HE2 GLN 9 -10.122 -10.826 -1.855 79 2HE2 GLN 9 2HE2 GLN 9 -11.751 -11.165 -1.393 80 H GLU 10 H GLU 10 -7.165 -13.455 3.137 81 HA GLU 10 HA GLU 10 -7.979 -11.561 5.041 82 1HB GLU 10 2HB GLU 10 -8.384 -13.992 5.243 83 2HB GLU 10 1HB GLU 10 -6.668 -14.246 5.524 84 1HG GLU 10 2HG GLU 10 -7.162 -14.111 7.687 85 2HG GLU 10 1HG GLU 10 -7.314 -12.375 7.423 86 H ALA 11 H ALA 11 -4.786 -13.025 4.462 87 HA ALA 11 HA ALA 11 -3.428 -11.727 6.559 88 1HB ALA 11 1HB ALA 11 -1.370 -12.215 5.161 89 2HB ALA 11 2HB ALA 11 -2.465 -12.912 3.967 90 3HB ALA 11 3HB ALA 11 -2.373 -13.602 5.586 91 H LEU 12 H LEU 12 -3.771 -10.865 3.118 92 HA LEU 12 HA LEU 12 -2.211 -8.527 3.211 93 1HB LEU 12 2HB LEU 12 -4.500 -9.266 1.388 94 2HB LEU 12 1HB LEU 12 -3.449 -7.885 1.140 95 HG LEU 12 HG LEU 12 -2.485 -10.744 1.213 96 1HD1 LEU 12 1HD1 LEU 12 -3.369 -8.997 -1.053 97 2HD1 LEU 12 2HD1 LEU 12 -3.779 -10.679 -0.714 98 3HD1 LEU 12 3HD1 LEU 12 -2.165 -10.265 -1.293 99 1HD2 LEU 12 1HD2 LEU 12 -0.607 -9.393 -0.127 100 2HD2 LEU 12 2HD2 LEU 12 -0.572 -9.602 1.623 101 3HD2 LEU 12 3HD2 LEU 12 -1.185 -8.103 0.927 102 H ASN 13 H ASN 13 -5.692 -9.034 3.704 103 HA ASN 13 HA ASN 13 -6.409 -6.319 3.947 104 1HB ASN 13 2HB ASN 13 -7.669 -8.887 4.869 105 2HB ASN 13 1HB ASN 13 -8.359 -7.338 5.339 106 1HD2 ASN 13 1HD2 ASN 13 -9.551 -9.387 3.704 107 2HD2 ASN 13 2HD2 ASN 13 -9.874 -8.670 2.165 108 H GLN 14 H GLN 14 -5.220 -8.669 6.302 109 HA GLN 14 HA GLN 14 -5.711 -7.129 8.619 110 1HB GLN 14 2HB GLN 14 -5.067 -9.627 8.403 111 2HB GLN 14 1HB GLN 14 -3.408 -9.047 8.363 112 1HG GLN 14 2HG GLN 14 -3.367 -8.673 10.559 113 2HG GLN 14 1HG GLN 14 -4.958 -7.914 10.552 114 1HE2 GLN 14 1HE2 GLN 14 -6.642 -9.825 9.780 115 2HE2 GLN 14 2HE2 GLN 14 -6.602 -11.174 10.858 116 H LEU 15 H LEU 15 -2.836 -7.440 6.543 117 HA LEU 15 HA LEU 15 -1.226 -5.652 8.044 118 1HB LEU 15 2HB LEU 15 -1.095 -6.819 5.296 119 2HB LEU 15 1HB LEU 15 -0.045 -5.471 5.689 120 HG LEU 15 HG LEU 15 1.053 -6.720 7.413 121 1HD1 LEU 15 1HD1 LEU 15 -0.456 -8.009 8.544 122 2HD1 LEU 15 2HD1 LEU 15 0.318 -9.246 7.553 123 3HD1 LEU 15 3HD1 LEU 15 -1.240 -8.580 7.073 124 1HD2 LEU 15 1HD2 LEU 15 2.019 -7.158 5.322 125 2HD2 LEU 15 2HD2 LEU 15 0.686 -8.201 4.826 126 3HD2 LEU 15 3HD2 LEU 15 1.816 -8.744 6.067 127 H MET 16 H MET 16 -3.604 -5.205 5.508 128 HA MET 16 HA MET 16 -2.959 -2.576 4.741 129 1HB MET 16 2HB MET 16 -5.410 -4.278 4.591 130 2HB MET 16 1HB MET 16 -5.571 -2.554 4.283 131 1HG MET 16 2HG MET 16 -3.716 -4.419 2.822 132 2HG MET 16 1HG MET 16 -5.276 -3.851 2.232 133 1HE MET 16 1HE MET 16 -1.873 -3.741 2.305 134 2HE MET 16 2HE MET 16 -1.301 -2.111 2.653 135 3HE MET 16 3HE MET 16 -1.598 -2.603 0.986 136 H ARG 17 H ARG 17 -5.203 -3.790 7.238 137 HA ARG 17 HA ARG 17 -6.068 -1.226 8.071 138 1HB ARG 17 2HB ARG 17 -7.024 -2.333 10.003 139 2HB ARG 17 1HB ARG 17 -7.335 -3.284 8.560 140 1HG ARG 17 2HG ARG 17 -6.169 -5.041 9.314 141 2HG ARG 17 1HG ARG 17 -4.905 -4.036 10.018 142 1HD ARG 17 2HD ARG 17 -5.833 -4.107 12.045 143 2HD ARG 17 1HD ARG 17 -7.442 -3.770 11.409 144 HE ARG 17 HE ARG 17 -7.071 -6.349 10.729 145 1HH1 ARG 17 1HH1 ARG 17 -6.717 -4.644 13.770 146 2HH1 ARG 17 2HH1 ARG 17 -7.105 -6.030 14.730 147 1HH2 ARG 17 1HH2 ARG 17 -7.584 -8.168 12.002 148 2HH2 ARG 17 2HH2 ARG 17 -7.596 -8.031 13.728 149 H GLN 18 H GLN 18 -3.392 -3.296 9.064 150 HA GLN 18 HA GLN 18 -2.633 -1.877 11.372 151 1HB GLN 18 2HB GLN 18 -1.816 -4.168 10.562 152 2HB GLN 18 1HB GLN 18 -0.701 -3.280 9.532 153 1HG GLN 18 2HG GLN 18 0.271 -2.215 11.511 154 2HG GLN 18 1HG GLN 18 -0.840 -3.124 12.537 155 1HE2 GLN 18 1HE2 GLN 18 -0.667 -5.459 12.503 156 2HE2 GLN 18 2HE2 GLN 18 0.869 -6.191 12.212 157 H LEU 19 H LEU 19 -1.729 -1.502 7.964 158 HA LEU 19 HA LEU 19 0.184 0.549 8.365 159 1HB LEU 19 2HB LEU 19 -1.411 -0.370 5.992 160 2HB LEU 19 1HB LEU 19 -0.377 1.043 5.890 161 HG LEU 19 HG LEU 19 0.923 -1.366 6.983 162 1HD1 LEU 19 1HD1 LEU 19 0.858 -2.724 5.178 163 2HD1 LEU 19 2HD1 LEU 19 0.677 -1.390 4.037 164 3HD1 LEU 19 3HD1 LEU 19 -0.716 -1.959 4.959 165 1HD2 LEU 19 1HD2 LEU 19 1.574 0.937 5.215 166 2HD2 LEU 19 2HD2 LEU 19 2.544 -0.530 5.077 167 3HD2 LEU 19 3HD2 LEU 19 2.432 0.312 6.623 168 H GLN 20 H GLN 20 -3.307 0.584 7.783 169 HA GLN 20 HA GLN 20 -3.576 3.359 7.373 170 1HB GLN 20 2HB GLN 20 -5.281 1.176 7.342 171 2HB GLN 20 1HB GLN 20 -5.863 2.124 8.703 172 1HG GLN 20 2HG GLN 20 -5.357 3.384 6.036 173 2HG GLN 20 1HG GLN 20 -6.872 2.558 6.392 174 1HE2 GLN 20 1HE2 GLN 20 -4.761 5.191 7.392 175 2HE2 GLN 20 2HE2 GLN 20 -5.996 6.142 8.136 176 H ARG 21 H ARG 21 -3.669 1.383 10.308 177 HA ARG 21 HA ARG 21 -4.408 3.510 12.051 178 1HB ARG 21 2HB ARG 21 -4.474 0.876 12.342 179 2HB ARG 21 1HB ARG 21 -2.900 1.152 13.074 180 1HG ARG 21 2HG ARG 21 -5.056 2.919 14.018 181 2HG ARG 21 1HG ARG 21 -5.236 1.210 14.416 182 1HD ARG 21 2HD ARG 21 -3.051 1.189 15.463 183 2HD ARG 21 1HD ARG 21 -2.775 2.861 14.982 184 HE ARG 21 HE ARG 21 -4.060 3.552 16.746 185 1HH1 ARG 21 1HH1 ARG 21 -4.595 0.125 16.253 186 2HH1 ARG 21 2HH1 ARG 21 -5.503 -0.069 17.714 187 1HH2 ARG 21 1HH2 ARG 21 -5.260 3.291 18.669 188 2HH2 ARG 21 2HH2 ARG 21 -5.881 1.729 19.086 189 H LYS 22 H LYS 22 -1.413 2.691 10.585 190 HA LYS 22 HA LYS 22 0.508 3.328 12.432 191 1HB LYS 22 2HB LYS 22 0.345 3.767 9.474 192 2HB LYS 22 1HB LYS 22 1.720 4.397 10.367 193 1HG LYS 22 2HG LYS 22 1.107 1.614 10.985 194 2HG LYS 22 1HG LYS 22 1.528 1.895 9.295 195 1HD LYS 22 2HD LYS 22 3.679 2.274 9.783 196 2HD LYS 22 1HD LYS 22 3.273 3.310 11.153 197 1HE LYS 22 2HE LYS 22 3.143 0.300 11.223 198 2HE LYS 22 1HE LYS 22 4.550 1.232 11.733 199 1HZ LYS 22 1HZ LYS 22 3.422 0.906 13.698 200 2HZ LYS 22 2HZ LYS 22 1.893 1.056 12.991 201 3HZ LYS 22 3HZ LYS 22 2.848 2.430 13.240 202 H ASP 23 H ASP 23 -0.441 5.768 10.015 203 HA ASP 23 HA ASP 23 -1.359 7.790 11.575 204 1HB ASP 23 2HB ASP 23 1.431 7.384 12.115 205 2HB ASP 23 1HB ASP 23 1.195 8.966 11.383 206 HA PRO 24 HA PRO 24 0.621 9.876 7.673 207 1HB PRO 24 2HB PRO 24 2.221 8.256 6.162 208 2HB PRO 24 1HB PRO 24 2.824 9.318 7.438 209 1HG PRO 24 2HG PRO 24 2.223 6.389 7.548 210 2HG PRO 24 1HG PRO 24 3.618 7.266 8.201 211 1HD PRO 24 2HD PRO 24 1.584 6.486 9.750 212 2HD PRO 24 1HD PRO 24 2.426 8.019 10.040 213 H SER 25 H SER 25 -0.360 6.510 7.655 214 HA SER 25 HA SER 25 -1.187 6.293 4.982 215 1HB SER 25 2HB SER 25 -0.949 4.385 6.600 216 2HB SER 25 1HB SER 25 -2.456 4.906 7.353 217 HG SER 25 HG SER 25 -3.479 4.575 5.316 218 H ALA 26 H ALA 26 -2.747 7.715 7.788 219 HA ALA 26 HA ALA 26 -5.388 7.838 6.929 220 1HB ALA 26 1HB ALA 26 -3.721 9.418 8.797 221 2HB ALA 26 2HB ALA 26 -5.242 8.571 9.071 222 3HB ALA 26 3HB ALA 26 -5.240 10.140 8.269 223 H PHE 27 H PHE 27 -2.630 9.780 5.957 224 HA PHE 27 HA PHE 27 -4.064 11.866 4.683 225 1HB PHE 27 2HB PHE 27 -1.252 10.841 4.266 226 2HB PHE 27 1HB PHE 27 -1.894 12.289 3.499 227 HD1 PHE 27 1HD PHE 27 -0.989 10.766 6.733 228 HD2 PHE 27 2HD PHE 27 -2.073 14.328 4.677 229 HE1 PHE 27 1HE PHE 27 -0.344 12.092 8.704 230 HE2 PHE 27 2HE PHE 27 -1.431 15.664 6.642 231 HZ PHE 27 HZ PHE 27 -0.565 14.547 8.659 232 H PHE 28 H PHE 28 -2.876 8.728 3.583 233 HA PHE 28 HA PHE 28 -4.210 9.191 0.991 234 1HB PHE 28 2HB PHE 28 -2.113 7.077 1.317 235 2HB PHE 28 1HB PHE 28 -2.573 7.981 -0.121 236 HD1 PHE 28 1HD PHE 28 -0.666 8.116 3.028 237 HD2 PHE 28 2HD PHE 28 -1.528 10.042 -0.667 238 HE1 PHE 28 1HE PHE 28 1.236 9.636 3.383 239 HE2 PHE 28 2HE PHE 28 0.371 11.564 -0.320 240 HZ PHE 28 HZ PHE 28 1.756 11.363 1.706 241 H SER 29 H SER 29 -5.390 8.191 3.498 242 HA SER 29 HA SER 29 -5.798 5.360 3.132 243 1HB SER 29 2HB SER 29 -7.015 5.424 5.156 244 2HB SER 29 1HB SER 29 -5.737 6.621 5.367 245 HG SER 29 HG SER 29 -7.714 7.487 6.022 246 H PHE 30 H PHE 30 -7.054 8.031 1.602 247 HA PHE 30 HA PHE 30 -9.467 6.550 0.829 248 1HB PHE 30 2HB PHE 30 -9.304 9.175 2.103 249 2HB PHE 30 1HB PHE 30 -10.188 9.220 0.583 250 HD1 PHE 30 1HD PHE 30 -9.987 6.905 3.520 251 HD2 PHE 30 2HD PHE 30 -12.457 9.078 0.818 252 HE1 PHE 30 1HE PHE 30 -11.989 6.044 4.662 253 HE2 PHE 30 2HE PHE 30 -14.461 8.220 1.957 254 HZ PHE 30 HZ PHE 30 -14.229 6.702 3.881 255 HA PRO 31 HA PRO 31 -8.318 7.412 -3.336 256 1HB PRO 31 2HB PRO 31 -10.660 8.080 -4.551 257 2HB PRO 31 1HB PRO 31 -10.266 6.429 -4.053 258 1HG PRO 31 2HG PRO 31 -11.961 8.472 -2.670 259 2HG PRO 31 1HG PRO 31 -12.257 6.739 -2.898 260 1HD PRO 31 2HD PRO 31 -11.323 7.750 -0.574 261 2HD PRO 31 1HD PRO 31 -10.863 6.141 -1.162 262 H VAL 32 H VAL 32 -7.021 9.156 -3.545 263 HA VAL 32 HA VAL 32 -7.601 11.781 -2.888 264 HB VAL 32 HB VAL 32 -5.816 12.365 -4.667 265 1HG1 VAL 32 1HG1 VAL 32 -5.344 10.699 -2.212 266 2HG1 VAL 32 2HG1 VAL 32 -5.252 12.451 -2.387 267 3HG1 VAL 32 3HG1 VAL 32 -4.028 11.425 -3.134 268 1HG2 VAL 32 1HG2 VAL 32 -4.762 9.672 -4.514 269 2HG2 VAL 32 2HG2 VAL 32 -4.923 10.748 -5.902 270 3HG2 VAL 32 3HG2 VAL 32 -6.285 9.751 -5.397 271 H THR 33 H THR 33 -8.149 13.622 -4.080 272 HA THR 33 HA THR 33 -9.264 13.231 -6.750 273 HB THR 33 HB THR 33 -10.968 14.878 -4.991 274 HG1 THR 33 1HG THR 33 -10.899 12.059 -4.663 275 1HG2 THR 33 1HG2 THR 33 -11.342 13.950 -7.434 276 2HG2 THR 33 2HG2 THR 33 -12.675 14.196 -6.306 277 3HG2 THR 33 3HG2 THR 33 -12.005 12.582 -6.541 278 H ASP 34 H ASP 34 -10.458 15.766 -6.996 279 HA ASP 34 HA ASP 34 -8.143 17.382 -7.417 280 1HB ASP 34 2HB ASP 34 -10.635 17.234 -8.559 281 2HB ASP 34 1HB ASP 34 -10.749 18.717 -7.621 282 H PHE 35 H PHE 35 -9.936 16.840 -4.651 283 HA PHE 35 HA PHE 35 -9.267 19.497 -3.573 284 1HB PHE 35 2HB PHE 35 -11.648 19.305 -3.583 285 2HB PHE 35 1HB PHE 35 -11.585 17.663 -2.957 286 HD1 PHE 35 1HD PHE 35 -10.871 17.290 -0.590 287 HD2 PHE 35 2HD PHE 35 -11.694 21.163 -2.147 288 HE1 PHE 35 1HE PHE 35 -11.120 18.154 1.702 289 HE2 PHE 35 2HE PHE 35 -11.942 22.035 0.140 290 HZ PHE 35 HZ PHE 35 -11.655 20.531 2.068 291 H ILE 36 H ILE 36 -9.588 16.041 -2.852 292 HA ILE 36 HA ILE 36 -8.364 16.111 -0.311 293 HB ILE 36 HB ILE 36 -8.909 13.941 -2.312 294 1HG1 ILE 36 2HG1 ILE 36 -9.859 13.444 0.342 295 2HG1 ILE 36 1HG1 ILE 36 -10.268 15.099 -0.100 296 1HG2 ILE 36 1HG2 ILE 36 -6.873 13.159 -1.469 297 2HG2 ILE 36 2HG2 ILE 36 -8.105 12.334 -0.514 298 3HG2 ILE 36 3HG2 ILE 36 -7.237 13.712 0.165 299 1HD1 ILE 36 1HD1 ILE 36 -10.850 12.842 -1.969 300 2HD1 ILE 36 2HD1 ILE 36 -11.611 14.430 -1.858 301 3HD1 ILE 36 3HD1 ILE 36 -11.931 13.210 -0.626 302 H ALA 37 H ALA 37 -7.106 15.670 -3.582 303 HA ALA 37 HA ALA 37 -4.359 15.630 -2.512 304 1HB ALA 37 1HB ALA 37 -5.630 14.400 -4.903 305 2HB ALA 37 2HB ALA 37 -4.432 13.737 -3.792 306 3HB ALA 37 3HB ALA 37 -3.945 14.902 -5.021 307 HA PRO 38 HA PRO 38 -3.663 19.560 -4.372 308 1HB PRO 38 2HB PRO 38 -0.882 19.077 -4.864 309 2HB PRO 38 1HB PRO 38 -1.606 19.987 -3.538 310 1HG PRO 38 2HG PRO 38 -0.301 17.563 -3.277 311 2HG PRO 38 1HG PRO 38 -1.444 18.235 -2.106 312 1HD PRO 38 2HD PRO 38 -1.852 16.109 -4.150 313 2HD PRO 38 1HD PRO 38 -2.578 16.289 -2.541 314 H GLY 39 H GLY 39 -3.565 16.861 -6.114 315 1HA GLY 39 2HA GLY 39 -4.289 17.509 -8.518 316 2HA GLY 39 1HA GLY 39 -2.637 18.109 -8.598 317 H TYR 40 H TYR 40 -3.754 15.175 -6.958 318 HA TYR 40 HA TYR 40 -1.701 13.580 -8.028 319 1HB TYR 40 2HB TYR 40 -4.232 13.016 -6.546 320 2HB TYR 40 1HB TYR 40 -3.420 11.675 -7.346 321 HD1 TYR 40 1HD TYR 40 -2.066 14.633 -5.520 322 HD2 TYR 40 2HD TYR 40 -2.390 10.386 -5.689 323 HE1 TYR 40 1HE TYR 40 -0.548 14.444 -3.599 324 HE2 TYR 40 2HE TYR 40 -0.874 10.194 -3.770 325 HH TYR 40 HH TYR 40 1.074 12.594 -2.707 326 H SER 41 H SER 41 -5.119 13.887 -8.968 327 HA SER 41 HA SER 41 -5.067 11.960 -11.009 328 1HB SER 41 2HB SER 41 -6.865 14.211 -10.277 329 2HB SER 41 1HB SER 41 -7.013 13.561 -11.908 330 HG SER 41 HG SER 41 -7.585 11.617 -11.099 331 H MET 42 H MET 42 -3.928 15.274 -11.017 332 HA MET 42 HA MET 42 -3.819 15.350 -13.911 333 1HB MET 42 2HB MET 42 -2.820 17.603 -13.612 334 2HB MET 42 1HB MET 42 -4.394 17.415 -12.855 335 1HG MET 42 2HG MET 42 -3.417 17.283 -10.688 336 2HG MET 42 1HG MET 42 -1.792 17.194 -11.364 337 1HE MET 42 1HE MET 42 -0.341 19.362 -11.978 338 2HE MET 42 2HE MET 42 -1.155 20.756 -12.690 339 3HE MET 42 3HE MET 42 -1.361 19.155 -13.402 340 H ILE 43 H ILE 43 -1.498 14.995 -11.236 341 HA ILE 43 HA ILE 43 0.652 14.756 -13.223 342 HB ILE 43 HB ILE 43 0.948 16.293 -11.277 343 1HG1 ILE 43 2HG1 ILE 43 2.815 15.228 -12.623 344 2HG1 ILE 43 1HG1 ILE 43 3.256 15.818 -11.025 345 1HG2 ILE 43 1HG2 ILE 43 -0.151 14.706 -9.641 346 2HG2 ILE 43 2HG2 ILE 43 1.318 15.512 -9.097 347 3HG2 ILE 43 3HG2 ILE 43 1.377 13.829 -9.617 348 1HD1 ILE 43 1HD1 ILE 43 3.420 13.154 -12.130 349 2HD1 ILE 43 2HD1 ILE 43 2.560 13.177 -10.591 350 3HD1 ILE 43 3HD1 ILE 43 4.192 13.835 -10.699 351 H ILE 44 H ILE 44 -0.704 12.970 -10.447 352 HA ILE 44 HA ILE 44 0.778 10.594 -11.319 353 HB ILE 44 HB ILE 44 -0.480 11.364 -8.695 354 1HG1 ILE 44 2HG1 ILE 44 1.799 12.080 -9.060 355 2HG1 ILE 44 1HG1 ILE 44 1.783 10.799 -7.858 356 1HG2 ILE 44 1HG2 ILE 44 0.442 8.597 -9.465 357 2HG2 ILE 44 2HG2 ILE 44 -1.218 9.080 -9.132 358 3HG2 ILE 44 3HG2 ILE 44 -0.020 9.116 -7.844 359 1HD1 ILE 44 1HD1 ILE 44 2.189 9.356 -10.095 360 2HD1 ILE 44 2HD1 ILE 44 3.482 10.007 -9.090 361 3HD1 ILE 44 3HD1 ILE 44 2.973 10.872 -10.541 362 H LYS 45 H LYS 45 -0.464 9.967 -13.041 363 HA LYS 45 HA LYS 45 -3.196 9.890 -13.301 364 1HB LYS 45 2HB LYS 45 -1.061 8.124 -14.462 365 2HB LYS 45 1HB LYS 45 -2.753 7.971 -14.923 366 1HG LYS 45 2HG LYS 45 -2.282 10.667 -15.193 367 2HG LYS 45 1HG LYS 45 -0.765 9.937 -15.725 368 1HD LYS 45 2HD LYS 45 -2.389 8.349 -17.066 369 2HD LYS 45 1HD LYS 45 -3.505 9.703 -16.886 370 1HE LYS 45 2HE LYS 45 -0.807 9.689 -18.228 371 2HE LYS 45 1HE LYS 45 -2.379 9.989 -18.964 372 1HZ LYS 45 1HZ LYS 45 -2.543 12.021 -17.611 373 2HZ LYS 45 2HZ LYS 45 -1.222 12.055 -18.667 374 3HZ LYS 45 3HZ LYS 45 -0.980 11.750 -17.022 375 H HIS 46 H HIS 46 -1.157 7.211 -12.083 376 HA HIS 46 HA HIS 46 -3.638 5.936 -11.129 377 1HB HIS 46 2HB HIS 46 -2.229 3.800 -11.189 378 2HB HIS 46 1HB HIS 46 -2.711 4.489 -12.735 379 HD1 HIS 46 1HD HIS 46 -0.875 5.045 -14.350 380 HD2 HIS 46 2HD HIS 46 0.529 4.325 -10.505 381 HE1 HIS 46 1HE HIS 46 1.632 5.015 -14.550 382 HE2 HIS 46 2HE HIS 46 2.460 4.735 -12.188 383 HA PRO 47 HA PRO 47 -1.274 6.579 -7.257 384 1HB PRO 47 2HB PRO 47 -3.003 8.138 -5.978 385 2HB PRO 47 1HB PRO 47 -1.874 8.790 -7.162 386 1HG PRO 47 2HG PRO 47 -4.792 8.428 -7.362 387 2HG PRO 47 1HG PRO 47 -3.736 9.515 -8.279 388 1HD PRO 47 2HD PRO 47 -4.767 6.935 -9.062 389 2HD PRO 47 1HD PRO 47 -3.756 8.045 -10.006 390 H MET 48 H MET 48 -1.837 4.347 -7.144 391 HA MET 48 HA MET 48 -4.313 3.340 -6.229 392 1HB MET 48 2HB MET 48 -1.542 2.160 -6.035 393 2HB MET 48 1HB MET 48 -3.012 1.283 -5.626 394 1HG MET 48 2HG MET 48 -2.223 2.376 -8.313 395 2HG MET 48 1HG MET 48 -2.351 0.683 -7.840 396 1HE MET 48 1HE MET 48 -5.126 -0.330 -9.372 397 2HE MET 48 2HE MET 48 -5.536 -0.402 -7.656 398 3HE MET 48 3HE MET 48 -3.867 -0.638 -8.176 399 H ASP 49 H ASP 49 -4.849 4.857 -4.558 400 HA ASP 49 HA ASP 49 -3.377 5.020 -2.130 401 1HB ASP 49 2HB ASP 49 -6.173 5.811 -2.925 402 2HB ASP 49 1HB ASP 49 -5.599 5.989 -1.271 403 H PHE 50 H PHE 50 -4.267 4.347 -0.007 404 HA PHE 50 HA PHE 50 -4.547 1.599 0.185 405 1HB PHE 50 2HB PHE 50 -5.249 3.801 2.118 406 2HB PHE 50 1HB PHE 50 -5.407 2.097 2.537 407 HD1 PHE 50 2HD PHE 50 -3.040 4.776 1.701 408 HD2 PHE 50 1HD PHE 50 -3.490 0.736 2.958 409 HE1 PHE 50 2HE PHE 50 -0.659 4.704 2.300 410 HE2 PHE 50 1HE PHE 50 -1.107 0.656 3.560 411 HZ PHE 50 HZ PHE 50 0.311 2.641 3.230 412 H SER 51 H SER 51 -7.071 4.052 -0.121 413 HA SER 51 HA SER 51 -9.230 2.317 0.549 414 1HB SER 51 2HB SER 51 -8.919 5.068 -0.328 415 2HB SER 51 1HB SER 51 -10.282 4.285 -1.130 416 HG SER 51 HG SER 51 -11.240 4.811 0.687 417 H THR 52 H THR 52 -7.717 3.274 -2.521 418 HA THR 52 HA THR 52 -9.561 1.873 -4.170 419 HB THR 52 HB THR 52 -6.700 2.567 -4.859 420 HG1 THR 52 1HG THR 52 -7.394 4.580 -5.371 421 1HG2 THR 52 1HG2 THR 52 -7.513 2.808 -7.121 422 2HG2 THR 52 2HG2 THR 52 -9.145 2.386 -6.601 423 3HG2 THR 52 3HG2 THR 52 -7.855 1.187 -6.517 424 H MET 53 H MET 53 -6.424 1.057 -2.753 425 HA MET 53 HA MET 53 -6.172 -1.471 -4.016 426 1HB MET 53 2HB MET 53 -4.846 -0.122 -1.697 427 2HB MET 53 1HB MET 53 -4.601 -1.847 -1.936 428 1HG MET 53 2HG MET 53 -3.571 -1.520 -4.021 429 2HG MET 53 1HG MET 53 -4.111 0.156 -4.115 430 1HE MET 53 1HE MET 53 -1.871 -2.387 -2.198 431 2HE MET 53 2HE MET 53 -2.623 -1.534 -0.849 432 3HE MET 53 3HE MET 53 -0.898 -1.342 -1.163 433 H LYS 54 H LYS 54 -7.443 -0.462 -0.848 434 HA LYS 54 HA LYS 54 -7.874 -3.004 0.231 435 1HB LYS 54 2HB LYS 54 -9.017 -0.296 0.718 436 2HB LYS 54 1HB LYS 54 -9.857 -1.676 1.411 437 1HG LYS 54 2HG LYS 54 -8.181 -2.144 2.881 438 2HG LYS 54 1HG LYS 54 -6.924 -1.494 1.825 439 1HD LYS 54 2HD LYS 54 -6.977 0.127 3.446 440 2HD LYS 54 1HD LYS 54 -8.153 0.783 2.309 441 1HE LYS 54 2HE LYS 54 -9.279 0.978 4.313 442 2HE LYS 54 1HE LYS 54 -9.873 -0.570 3.713 443 1HZ LYS 54 1HZ LYS 54 -8.803 -1.709 5.325 444 2HZ LYS 54 2HZ LYS 54 -8.938 -0.245 6.160 445 3HZ LYS 54 3HZ LYS 54 -7.488 -0.647 5.389 446 H GLU 55 H GLU 55 -10.023 -0.986 -1.757 447 HA GLU 55 HA GLU 55 -12.246 -2.727 -1.700 448 1HB GLU 55 2HB GLU 55 -11.847 -0.228 -2.647 449 2HB GLU 55 1HB GLU 55 -11.794 -1.129 -4.156 450 1HG GLU 55 2HG GLU 55 -13.991 -2.089 -3.647 451 2HG GLU 55 1HG GLU 55 -14.044 -1.156 -2.154 452 H LYS 56 H LYS 56 -9.420 -2.513 -3.790 453 HA LYS 56 HA LYS 56 -10.273 -4.417 -5.712 454 1HB LYS 56 2HB LYS 56 -7.875 -2.867 -5.138 455 2HB LYS 56 1HB LYS 56 -7.495 -4.484 -5.712 456 1HG LYS 56 2HG LYS 56 -8.017 -3.952 -7.797 457 2HG LYS 56 1HG LYS 56 -9.577 -3.287 -7.309 458 1HD LYS 56 2HD LYS 56 -8.708 -1.149 -6.996 459 2HD LYS 56 1HD LYS 56 -7.050 -1.740 -6.863 460 1HE LYS 56 2HE LYS 56 -7.265 -0.662 -8.981 461 2HE LYS 56 1HE LYS 56 -7.174 -2.400 -9.270 462 1HZ LYS 56 1HZ LYS 56 -9.615 -0.708 -9.318 463 2HZ LYS 56 2HZ LYS 56 -9.634 -2.397 -9.419 464 3HZ LYS 56 3HZ LYS 56 -8.886 -1.486 -10.632 465 H ILE 57 H ILE 57 -8.279 -4.686 -2.765 466 HA ILE 57 HA ILE 57 -7.534 -7.368 -3.075 467 HB ILE 57 HB ILE 57 -8.079 -5.993 -0.438 468 1HG1 ILE 57 2HG1 ILE 57 -5.310 -6.234 -1.467 469 2HG1 ILE 57 1HG1 ILE 57 -6.331 -5.059 -2.286 470 1HG2 ILE 57 1HG2 ILE 57 -7.762 -8.158 0.189 471 2HG2 ILE 57 2HG2 ILE 57 -6.076 -7.648 0.104 472 3HG2 ILE 57 3HG2 ILE 57 -6.794 -8.546 -1.235 473 1HD1 ILE 57 1HD1 ILE 57 -4.989 -4.858 0.226 474 2HD1 ILE 57 2HD1 ILE 57 -6.724 -4.650 0.458 475 3HD1 ILE 57 3HD1 ILE 57 -5.855 -3.620 -0.678 476 H LYS 58 H LYS 58 -10.448 -5.945 -1.645 477 HA LYS 58 HA LYS 58 -11.551 -8.275 -0.554 478 1HB LYS 58 2HB LYS 58 -12.845 -5.773 -1.630 479 2HB LYS 58 1HB LYS 58 -13.756 -7.053 -0.841 480 1HG LYS 58 2HG LYS 58 -12.472 -6.737 1.199 481 2HG LYS 58 1HG LYS 58 -11.506 -5.489 0.409 482 1HD LYS 58 2HD LYS 58 -13.004 -3.978 1.053 483 2HD LYS 58 1HD LYS 58 -14.197 -4.768 0.021 484 1HE LYS 58 2HE LYS 58 -13.606 -5.678 2.831 485 2HE LYS 58 1HE LYS 58 -14.832 -4.469 2.457 486 1HZ LYS 58 1HZ LYS 58 -14.850 -7.342 1.976 487 2HZ LYS 58 2HZ LYS 58 -15.556 -6.379 0.779 488 3HZ LYS 58 3HZ LYS 58 -16.125 -6.302 2.369 489 H ASN 59 H ASN 59 -11.294 -7.289 -3.878 490 HA ASN 59 HA ASN 59 -13.242 -9.320 -4.712 491 1HB ASN 59 2HB ASN 59 -12.120 -6.860 -5.976 492 2HB ASN 59 1HB ASN 59 -12.623 -8.176 -7.027 493 1HD2 ASN 59 1HD2 ASN 59 -13.647 -5.360 -5.992 494 2HD2 ASN 59 2HD2 ASN 59 -15.346 -5.642 -5.853 495 H ASN 60 H ASN 60 -10.330 -9.706 -3.768 496 HA ASN 60 HA ASN 60 -8.626 -11.131 -4.228 497 1HB ASN 60 2HB ASN 60 -10.857 -12.264 -5.511 498 2HB ASN 60 1HB ASN 60 -9.541 -12.347 -6.679 499 1HD2 ASN 60 1HD2 ASN 60 -10.033 -12.814 -3.198 500 2HD2 ASN 60 2HD2 ASN 60 -9.120 -14.278 -3.092 501 H ASP 61 H ASP 61 -9.002 -8.457 -5.627 502 HA ASP 61 HA ASP 61 -7.623 -8.706 -8.124 503 1HB ASP 61 2HB ASP 61 -8.097 -6.294 -6.356 504 2HB ASP 61 1HB ASP 61 -7.475 -6.230 -7.998 505 H TYR 62 H TYR 62 -6.744 -8.319 -4.789 506 HA TYR 62 HA TYR 62 -3.902 -8.185 -5.536 507 1HB TYR 62 2HB TYR 62 -5.385 -7.006 -3.195 508 2HB TYR 62 1HB TYR 62 -3.647 -7.259 -3.147 509 HD1 TYR 62 1HD TYR 62 -2.220 -6.113 -4.915 510 HD2 TYR 62 2HD TYR 62 -6.296 -5.113 -4.224 511 HE1 TYR 62 1HE TYR 62 -1.877 -3.957 -6.038 512 HE2 TYR 62 2HE TYR 62 -5.964 -2.956 -5.350 513 HH TYR 62 HH TYR 62 -4.214 -1.433 -5.935 514 H GLN 63 H GLN 63 -3.271 -10.261 -5.486 515 HA GLN 63 HA GLN 63 -3.383 -11.669 -2.945 516 1HB GLN 63 2HB GLN 63 -5.370 -12.419 -4.282 517 2HB GLN 63 1HB GLN 63 -4.263 -12.993 -5.521 518 1HG GLN 63 2HG GLN 63 -3.398 -14.124 -3.098 519 2HG GLN 63 1HG GLN 63 -5.151 -14.297 -3.137 520 1HE2 GLN 63 1HE2 GLN 63 -2.168 -15.010 -4.842 521 2HE2 GLN 63 2HE2 GLN 63 -2.789 -16.333 -5.763 522 H SER 64 H SER 64 -1.442 -10.345 -4.894 523 HA SER 64 HA SER 64 0.523 -12.506 -4.843 524 1HB SER 64 2HB SER 64 -0.267 -12.425 -7.148 525 2HB SER 64 1HB SER 64 0.008 -10.685 -7.207 526 HG SER 64 HG SER 64 1.978 -12.708 -6.888 527 H ILE 65 H ILE 65 2.519 -11.896 -4.314 528 HA ILE 65 HA ILE 65 2.984 -9.609 -2.835 529 HB ILE 65 HB ILE 65 5.452 -10.123 -3.260 530 1HG1 ILE 65 2HG1 ILE 65 4.386 -12.696 -4.401 531 2HG1 ILE 65 1HG1 ILE 65 4.889 -11.366 -5.437 532 1HG2 ILE 65 1HG2 ILE 65 5.216 -12.333 -1.950 533 2HG2 ILE 65 2HG2 ILE 65 3.490 -11.976 -1.988 534 3HG2 ILE 65 3HG2 ILE 65 4.609 -10.843 -1.231 535 1HD1 ILE 65 1HD1 ILE 65 6.490 -13.383 -4.569 536 2HD1 ILE 65 2HD1 ILE 65 6.861 -12.102 -3.416 537 3HD1 ILE 65 3HD1 ILE 65 7.053 -11.814 -5.145 538 H GLU 66 H GLU 66 3.483 -10.192 -6.278 539 HA GLU 66 HA GLU 66 4.931 -7.799 -6.791 540 1HB GLU 66 2HB GLU 66 4.476 -10.039 -8.231 541 2HB GLU 66 1HB GLU 66 3.289 -8.970 -8.964 542 1HG GLU 66 2HG GLU 66 5.222 -8.769 -10.273 543 2HG GLU 66 1HG GLU 66 5.163 -7.310 -9.286 544 H GLU 67 H GLU 67 1.503 -8.688 -7.025 545 HA GLU 67 HA GLU 67 0.583 -6.270 -8.139 546 1HB GLU 67 2HB GLU 67 -0.587 -8.650 -6.908 547 2HB GLU 67 1HB GLU 67 -1.515 -7.192 -6.589 548 1HG GLU 67 2HG GLU 67 -0.656 -7.984 -9.351 549 2HG GLU 67 1HG GLU 67 -2.160 -8.543 -8.622 550 H LEU 68 H LEU 68 0.755 -7.358 -4.750 551 HA LEU 68 HA LEU 68 -0.314 -4.990 -3.633 552 1HB LEU 68 2HB LEU 68 1.288 -7.278 -2.548 553 2HB LEU 68 1HB LEU 68 1.027 -5.861 -1.553 554 HG LEU 68 HG LEU 68 -0.609 -7.482 -0.954 555 1HD1 LEU 68 1HD1 LEU 68 -1.336 -5.101 -1.159 556 2HD1 LEU 68 2HD1 LEU 68 -2.638 -6.285 -1.270 557 3HD1 LEU 68 3HD1 LEU 68 -2.024 -5.510 -2.731 558 1HD2 LEU 68 1HD2 LEU 68 -1.394 -7.611 -3.862 559 2HD2 LEU 68 2HD2 LEU 68 -2.147 -8.490 -2.532 560 3HD2 LEU 68 3HD2 LEU 68 -0.483 -8.843 -2.988 561 H LYS 69 H LYS 69 3.040 -6.074 -4.107 562 HA LYS 69 HA LYS 69 4.230 -3.799 -2.923 563 1HB LYS 69 2HB LYS 69 5.291 -6.075 -3.360 564 2HB LYS 69 1HB LYS 69 5.518 -5.538 -5.020 565 1HG LYS 69 2HG LYS 69 6.545 -3.464 -3.510 566 2HG LYS 69 1HG LYS 69 7.041 -4.914 -2.637 567 1HD LYS 69 2HD LYS 69 7.374 -5.042 -5.558 568 2HD LYS 69 1HD LYS 69 8.386 -3.850 -4.742 569 1HE LYS 69 2HE LYS 69 8.975 -5.753 -3.122 570 2HE LYS 69 1HE LYS 69 8.291 -6.824 -4.344 571 1HZ LYS 69 1HZ LYS 69 10.590 -6.714 -4.763 572 2HZ LYS 69 2HZ LYS 69 10.637 -5.031 -4.608 573 3HZ LYS 69 3HZ LYS 69 9.877 -5.737 -5.945 574 H ASP 70 H ASP 70 3.603 -4.620 -6.340 575 HA ASP 70 HA ASP 70 4.844 -2.362 -7.446 576 1HB ASP 70 2HB ASP 70 2.721 -4.234 -8.451 577 2HB ASP 70 1HB ASP 70 3.203 -2.836 -9.404 578 H ASN 71 H ASN 71 1.408 -2.855 -6.579 579 HA ASN 71 HA ASN 71 0.680 -0.225 -7.443 580 1HB ASN 71 2HB ASN 71 -0.785 -2.336 -5.869 581 2HB ASN 71 1HB ASN 71 -1.491 -0.762 -6.223 582 1HD2 ASN 71 1HD2 ASN 71 -0.922 -0.205 -8.729 583 2HD2 ASN 71 2HD2 ASN 71 -1.483 -1.427 -9.813 584 H PHE 72 H PHE 72 1.266 -1.700 -4.248 585 HA PHE 72 HA PHE 72 0.614 0.547 -2.695 586 1HB PHE 72 2HB PHE 72 0.946 -1.647 -1.683 587 2HB PHE 72 1HB PHE 72 2.638 -1.645 -2.160 588 HD1 PHE 72 2HD PHE 72 0.155 -0.214 0.140 589 HD2 PHE 72 1HD PHE 72 4.278 -0.418 -0.914 590 HE1 PHE 72 2HE PHE 72 0.758 0.815 2.292 591 HE2 PHE 72 1HE PHE 72 4.881 0.612 1.236 592 HZ PHE 72 HZ PHE 72 3.120 1.230 2.843 593 H LYS 73 H LYS 73 3.659 -0.446 -4.208 594 HA LYS 73 HA LYS 73 5.240 1.671 -3.204 595 1HB LYS 73 2HB LYS 73 5.516 -0.216 -5.521 596 2HB LYS 73 1HB LYS 73 6.652 1.109 -5.312 597 1HG LYS 73 2HG LYS 73 7.414 0.255 -3.243 598 2HG LYS 73 1HG LYS 73 6.090 -0.909 -3.158 599 1HD LYS 73 2HD LYS 73 8.092 -2.068 -3.809 600 2HD LYS 73 1HD LYS 73 7.001 -2.008 -5.193 601 1HE LYS 73 2HE LYS 73 8.423 0.252 -5.595 602 2HE LYS 73 1HE LYS 73 9.635 -0.743 -4.790 603 1HZ LYS 73 1HZ LYS 73 9.688 -2.230 -6.504 604 2HZ LYS 73 2HZ LYS 73 9.323 -0.824 -7.371 605 3HZ LYS 73 3HZ LYS 73 8.096 -1.925 -6.992 606 H LEU 74 H LEU 74 3.186 1.355 -6.065 607 HA LEU 74 HA LEU 74 4.084 3.605 -7.466 608 1HB LEU 74 2HB LEU 74 1.531 2.061 -7.402 609 2HB LEU 74 1HB LEU 74 1.548 3.606 -8.231 610 HG LEU 74 HG LEU 74 3.683 1.644 -8.920 611 1HD1 LEU 74 1HD1 LEU 74 1.537 1.176 -10.686 612 2HD1 LEU 74 2HD1 LEU 74 0.909 0.978 -9.050 613 3HD1 LEU 74 3HD1 LEU 74 2.304 0.040 -9.577 614 1HD2 LEU 74 1HD2 LEU 74 2.522 4.062 -9.979 615 2HD2 LEU 74 2HD2 LEU 74 2.514 2.773 -11.183 616 3HD2 LEU 74 3HD2 LEU 74 4.028 3.253 -10.413 617 H MET 75 H MET 75 1.464 3.326 -5.040 618 HA MET 75 HA MET 75 0.795 6.084 -5.159 619 1HB MET 75 2HB MET 75 -0.521 4.042 -4.135 620 2HB MET 75 1HB MET 75 0.308 4.534 -2.663 621 1HG MET 75 2HG MET 75 -1.113 6.607 -4.270 622 2HG MET 75 1HG MET 75 -2.055 5.493 -3.278 623 1HE MET 75 1HE MET 75 -1.260 4.935 -0.822 624 2HE MET 75 2HE MET 75 -0.598 6.142 0.282 625 3HE MET 75 3HE MET 75 0.472 5.265 -0.814 626 H CYS 76 H CYS 76 2.979 4.220 -3.092 627 HA CYS 76 HA CYS 76 3.617 6.282 -1.287 628 1HB CYS 76 2HB CYS 76 4.871 3.702 -2.087 629 2HB CYS 76 1HB CYS 76 5.879 4.861 -1.228 630 HG CYS 76 HG CYS 76 3.669 4.710 0.540 631 H THR 77 H THR 77 5.249 5.221 -4.268 632 HA THR 77 HA THR 77 7.240 7.255 -4.173 633 HB THR 77 HB THR 77 6.331 5.728 -6.617 634 HG1 THR 77 1HG THR 77 6.890 4.073 -5.422 635 1HG2 THR 77 1HG2 THR 77 8.980 6.942 -5.876 636 2HG2 THR 77 2HG2 THR 77 7.892 7.472 -7.157 637 3HG2 THR 77 3HG2 THR 77 8.694 5.906 -7.274 638 H ASN 78 H ASN 78 4.121 6.929 -5.828 639 HA ASN 78 HA ASN 78 4.321 9.282 -7.386 640 1HB ASN 78 2HB ASN 78 1.984 7.609 -6.473 641 2HB ASN 78 1HB ASN 78 1.780 9.048 -7.455 642 1HD2 ASN 78 1HD2 ASN 78 0.832 6.823 -8.510 643 2HD2 ASN 78 2HD2 ASN 78 1.851 6.222 -9.765 644 H ALA 79 H ALA 79 3.029 8.632 -4.160 645 HA ALA 79 HA ALA 79 1.860 11.186 -3.781 646 1HB ALA 79 1HB ALA 79 1.982 10.525 -1.324 647 2HB ALA 79 2HB ALA 79 2.671 9.003 -1.883 648 3HB ALA 79 3HB ALA 79 1.049 9.477 -2.390 649 H MET 80 H MET 80 5.012 9.806 -2.916 650 HA MET 80 HA MET 80 5.908 12.149 -1.552 651 1HB MET 80 2HB MET 80 8.047 11.050 -1.402 652 2HB MET 80 1HB MET 80 6.781 9.878 -1.074 653 1HG MET 80 2HG MET 80 7.003 8.969 -3.306 654 2HG MET 80 1HG MET 80 8.211 10.189 -3.704 655 1HE MET 80 1HE MET 80 10.072 9.567 -4.176 656 2HE MET 80 2HE MET 80 10.850 8.024 -3.829 657 3HE MET 80 3HE MET 80 11.213 9.436 -2.839 658 H ILE 81 H ILE 81 6.295 10.918 -4.864 659 HA ILE 81 HA ILE 81 8.266 12.759 -5.661 660 HB ILE 81 HB ILE 81 7.730 10.781 -7.008 661 1HG1 ILE 81 2HG1 ILE 81 7.288 12.366 -9.221 662 2HG1 ILE 81 1HG1 ILE 81 7.946 13.509 -8.056 663 1HG2 ILE 81 1HG2 ILE 81 5.781 10.658 -8.406 664 2HG2 ILE 81 2HG2 ILE 81 5.227 12.233 -7.843 665 3HG2 ILE 81 3HG2 ILE 81 5.280 10.867 -6.732 666 1HD1 ILE 81 1HD1 ILE 81 9.960 12.333 -7.878 667 2HD1 ILE 81 2HD1 ILE 81 9.580 12.337 -9.600 668 3HD1 ILE 81 3HD1 ILE 81 9.283 10.891 -8.634 669 H TYR 82 H TYR 82 4.688 12.951 -5.880 670 HA TYR 82 HA TYR 82 4.726 15.548 -7.055 671 1HB TYR 82 2HB TYR 82 2.793 13.928 -7.167 672 2HB TYR 82 1HB TYR 82 2.455 14.312 -5.483 673 HD1 TYR 82 1HD TYR 82 3.703 17.049 -7.482 674 HD2 TYR 82 2HD TYR 82 0.177 14.976 -6.315 675 HE1 TYR 82 1HE TYR 82 2.347 18.966 -8.197 676 HE2 TYR 82 2HE TYR 82 -1.184 16.890 -7.025 677 HH TYR 82 HH TYR 82 -0.030 19.892 -7.539 678 H ASN 83 H ASN 83 4.415 14.360 -3.723 679 HA ASN 83 HA ASN 83 4.319 17.102 -2.728 680 1HB ASN 83 2HB ASN 83 3.765 14.410 -1.536 681 2HB ASN 83 1HB ASN 83 4.143 15.763 -0.482 682 1HD2 ASN 83 1HD2 ASN 83 1.646 14.095 -1.362 683 2HD2 ASN 83 2HD2 ASN 83 0.432 15.314 -1.529 684 H LYS 84 H LYS 84 6.423 17.790 -3.117 685 HA LYS 84 HA LYS 84 8.768 16.398 -2.440 686 1HB LYS 84 2HB LYS 84 8.408 19.404 -2.472 687 2HB LYS 84 1HB LYS 84 9.917 18.522 -2.664 688 1HG LYS 84 2HG LYS 84 9.037 17.561 -4.770 689 2HG LYS 84 1HG LYS 84 7.603 18.574 -4.589 690 1HD LYS 84 2HD LYS 84 9.286 20.528 -4.420 691 2HD LYS 84 1HD LYS 84 10.437 19.392 -5.128 692 1HE LYS 84 2HE LYS 84 9.139 19.160 -7.095 693 2HE LYS 84 1HE LYS 84 7.754 19.965 -6.361 694 1HZ LYS 84 1HZ LYS 84 9.470 21.921 -6.165 695 2HZ LYS 84 2HZ LYS 84 8.608 21.658 -7.597 696 3HZ LYS 84 3HZ LYS 84 10.208 21.124 -7.464 697 HA PRO 85 HA PRO 85 9.328 16.771 1.930 698 1HB PRO 85 2HB PRO 85 11.863 18.269 1.599 699 2HB PRO 85 1HB PRO 85 11.571 16.707 2.371 700 1HG PRO 85 2HG PRO 85 12.799 16.867 0.006 701 2HG PRO 85 1HG PRO 85 11.666 15.550 0.364 702 1HD PRO 85 2HD PRO 85 11.238 18.035 -1.255 703 2HD PRO 85 1HD PRO 85 10.701 16.374 -1.579 704 H GLU 86 H GLU 86 7.521 18.412 1.736 705 HA GLU 86 HA GLU 86 8.234 21.190 2.090 706 1HB GLU 86 2HB GLU 86 6.200 20.392 0.843 707 2HB GLU 86 1HB GLU 86 5.519 19.894 2.384 708 1HG GLU 86 2HG GLU 86 4.576 21.989 1.872 709 2HG GLU 86 1HG GLU 86 5.761 22.274 3.145 710 H THR 87 H THR 87 6.278 18.940 4.073 711 HA THR 87 HA THR 87 7.538 20.063 6.468 712 HB THR 87 HB THR 87 4.968 19.688 7.341 713 HG1 THR 87 1HG THR 87 4.331 19.455 5.081 714 1HG2 THR 87 1HG2 THR 87 4.919 22.329 6.585 715 2HG2 THR 87 2HG2 THR 87 6.641 21.977 6.736 716 3HG2 THR 87 3HG2 THR 87 5.558 21.687 8.097 717 H ILE 88 H ILE 88 4.773 17.856 6.167 718 HA ILE 88 HA ILE 88 6.472 15.671 7.156 719 HB ILE 88 HB ILE 88 4.744 14.896 8.648 720 1HG1 ILE 88 2HG1 ILE 88 2.813 15.764 7.270 721 2HG1 ILE 88 1HG1 ILE 88 2.653 15.996 9.005 722 1HG2 ILE 88 1HG2 ILE 88 6.019 16.201 9.965 723 2HG2 ILE 88 2HG2 ILE 88 4.558 17.184 10.039 724 3HG2 ILE 88 3HG2 ILE 88 5.852 17.612 8.922 725 1HD1 ILE 88 1HD1 ILE 88 2.059 18.071 8.430 726 2HD1 ILE 88 2HD1 ILE 88 2.827 17.963 6.847 727 3HD1 ILE 88 3HD1 ILE 88 3.795 18.342 8.272 728 H TYR 89 H TYR 89 4.725 16.627 4.590 729 HA TYR 89 HA TYR 89 3.061 14.364 4.101 730 1HB TYR 89 2HB TYR 89 3.984 16.718 2.522 731 2HB TYR 89 1HB TYR 89 3.371 15.326 1.636 732 HD1 TYR 89 2HD TYR 89 2.473 17.726 4.337 733 HD2 TYR 89 1HD TYR 89 1.073 15.009 1.376 734 HE1 TYR 89 2HE TYR 89 0.170 18.488 4.733 735 HE2 TYR 89 1HE TYR 89 -1.231 15.765 1.764 736 HH TYR 89 HH TYR 89 -2.337 17.119 4.231 737 H TYR 90 H TYR 90 6.282 15.351 2.955 738 HA TYR 90 HA TYR 90 6.722 13.082 1.322 739 1HB TYR 90 2HB TYR 90 8.033 15.172 1.124 740 2HB TYR 90 1HB TYR 90 8.775 14.843 2.686 741 HD1 TYR 90 2HD TYR 90 8.359 13.370 -0.716 742 HD2 TYR 90 1HD TYR 90 10.762 13.632 2.787 743 HE1 TYR 90 2HE TYR 90 10.118 12.066 -1.832 744 HE2 TYR 90 1HE TYR 90 12.528 12.328 1.679 745 HH TYR 90 HH TYR 90 12.022 10.675 -1.273 746 H LYS 91 H LYS 91 7.576 13.802 4.692 747 HA LYS 91 HA LYS 91 9.003 11.408 5.174 748 1HB LYS 91 2HB LYS 91 7.542 13.201 7.126 749 2HB LYS 91 1HB LYS 91 8.690 11.944 7.565 750 1HG LYS 91 2HG LYS 91 9.763 13.839 5.632 751 2HG LYS 91 1HG LYS 91 9.274 14.592 7.152 752 1HD LYS 91 2HD LYS 91 10.569 12.420 8.092 753 2HD LYS 91 1HD LYS 91 11.456 12.683 6.589 754 1HE LYS 91 2HE LYS 91 12.610 13.918 8.232 755 2HE LYS 91 1HE LYS 91 11.684 15.101 7.309 756 1HZ LYS 91 1HZ LYS 91 9.936 14.798 9.132 757 2HZ LYS 91 2HZ LYS 91 11.322 15.688 9.513 758 3HZ LYS 91 3HZ LYS 91 11.176 14.086 10.037 759 H ALA 92 H ALA 92 5.589 12.280 5.520 760 HA ALA 92 HA ALA 92 4.700 10.019 6.906 761 1HB ALA 92 1HB ALA 92 3.425 12.054 5.165 762 2HB ALA 92 2HB ALA 92 3.036 11.566 6.815 763 3HB ALA 92 3HB ALA 92 2.528 10.564 5.455 764 H ALA 93 H ALA 93 4.958 10.597 3.403 765 HA ALA 93 HA ALA 93 3.963 8.060 2.617 766 1HB ALA 93 1HB ALA 93 4.238 10.239 1.239 767 2HB ALA 93 2HB ALA 93 4.460 8.683 0.442 768 3HB ALA 93 3HB ALA 93 5.863 9.634 0.924 769 H LYS 94 H LYS 94 7.238 9.296 3.189 770 HA LYS 94 HA LYS 94 8.616 7.005 2.271 771 1HB LYS 94 2HB LYS 94 9.491 9.402 2.790 772 2HB LYS 94 1HB LYS 94 9.702 8.793 4.425 773 1HG LYS 94 2HG LYS 94 11.761 8.661 3.106 774 2HG LYS 94 1HG LYS 94 11.202 7.071 3.629 775 1HD LYS 94 2HD LYS 94 10.425 6.523 1.469 776 2HD LYS 94 1HD LYS 94 10.532 8.197 0.921 777 1HE LYS 94 2HE LYS 94 13.057 7.052 1.889 778 2HE LYS 94 1HE LYS 94 12.403 6.278 0.444 779 1HZ LYS 94 1HZ LYS 94 12.571 9.216 0.572 780 2HZ LYS 94 2HZ LYS 94 12.599 8.198 -0.780 781 3HZ LYS 94 3HZ LYS 94 13.959 8.315 0.217 782 H LYS 95 H LYS 95 7.616 8.001 5.545 783 HA LYS 95 HA LYS 95 8.719 5.819 6.926 784 1HB LYS 95 2HB LYS 95 7.135 8.070 7.570 785 2HB LYS 95 1HB LYS 95 6.261 6.666 8.163 786 1HG LYS 95 2HG LYS 95 7.534 6.945 9.982 787 2HG LYS 95 1HG LYS 95 8.755 6.095 9.033 788 1HD LYS 95 2HD LYS 95 9.377 8.459 8.170 789 2HD LYS 95 1HD LYS 95 8.488 9.028 9.584 790 1HE LYS 95 2HE LYS 95 10.428 6.874 10.096 791 2HE LYS 95 1HE LYS 95 11.128 8.405 9.574 792 1HZ LYS 95 1HZ LYS 95 10.507 9.441 11.474 793 2HZ LYS 95 2HZ LYS 95 10.594 7.873 12.101 794 3HZ LYS 95 3HZ LYS 95 9.097 8.527 11.669 795 H LEU 96 H LEU 96 5.487 6.289 5.529 796 HA LEU 96 HA LEU 96 4.397 3.829 6.362 797 1HB LEU 96 2HB LEU 96 3.319 5.979 5.275 798 2HB LEU 96 1HB LEU 96 3.564 5.088 3.785 799 HG LEU 96 HG LEU 96 2.204 3.230 4.702 800 1HD1 LEU 96 1HD1 LEU 96 1.000 4.832 6.818 801 2HD1 LEU 96 2HD1 LEU 96 2.674 4.382 7.145 802 3HD1 LEU 96 3HD1 LEU 96 1.475 3.133 6.810 803 1HD2 LEU 96 1HD2 LEU 96 0.979 5.973 4.554 804 2HD2 LEU 96 2HD2 LEU 96 0.026 4.493 4.663 805 3HD2 LEU 96 3HD2 LEU 96 1.088 4.759 3.281 806 H LEU 97 H LEU 97 6.337 4.728 3.556 807 HA LEU 97 HA LEU 97 5.971 2.415 2.009 808 1HB LEU 97 2HB LEU 97 7.187 4.647 1.456 809 2HB LEU 97 1HB LEU 97 8.598 3.865 2.145 810 HG LEU 97 HG LEU 97 7.042 2.566 -0.075 811 1HD1 LEU 97 1HD1 LEU 97 8.032 3.784 -1.708 812 2HD1 LEU 97 2HD1 LEU 97 9.470 4.119 -0.744 813 3HD1 LEU 97 3HD1 LEU 97 7.987 5.032 -0.462 814 1HD2 LEU 97 1HD2 LEU 97 9.847 2.335 0.996 815 2HD2 LEU 97 2HD2 LEU 97 9.332 1.619 -0.530 816 3HD2 LEU 97 3HD2 LEU 97 8.584 1.104 0.980 817 H HIS 98 H HIS 98 8.351 3.179 4.533 818 HA HIS 98 HA HIS 98 9.799 0.769 4.393 819 1HB HIS 98 2HB HIS 98 9.970 3.107 5.885 820 2HB HIS 98 1HB HIS 98 9.620 1.872 7.092 821 HD1 HIS 98 1HD HIS 98 12.016 2.206 4.142 822 HD2 HIS 98 2HD HIS 98 11.892 0.771 8.039 823 HE1 HIS 98 1HE HIS 98 14.334 1.355 4.618 824 HE2 HIS 98 2HE HIS 98 14.214 0.416 6.953 825 H SER 99 H SER 99 6.915 1.704 6.207 826 HA SER 99 HA SER 99 6.692 -0.606 7.805 827 1HB SER 99 2HB SER 99 4.324 0.963 6.777 828 2HB SER 99 1HB SER 99 4.493 0.119 8.317 829 HG SER 99 HG SER 99 5.959 1.693 8.975 830 H GLY 100 H GLY 100 5.336 0.221 4.624 831 1HA GLY 100 2HA GLY 100 3.801 -2.069 4.190 832 2HA GLY 100 1HA GLY 100 4.530 -1.091 2.924 833 H MET 101 H MET 101 7.267 -1.549 3.692 834 HA MET 101 HA MET 101 7.700 -4.015 2.329 835 1HB MET 101 2HB MET 101 9.317 -1.786 3.271 836 2HB MET 101 1HB MET 101 10.116 -3.329 3.544 837 1HG MET 101 2HG MET 101 9.024 -3.352 0.926 838 2HG MET 101 1HG MET 101 9.903 -1.841 1.146 839 1HE MET 101 1HE MET 101 12.106 -1.472 1.275 840 2HE MET 101 2HE MET 101 13.434 -2.604 1.011 841 3HE MET 101 3HE MET 101 12.759 -2.395 2.628 842 H LYS 102 H LYS 102 8.165 -2.965 5.700 843 HA LYS 102 HA LYS 102 9.179 -5.372 6.694 844 1HB LYS 102 2HB LYS 102 8.656 -2.872 7.705 845 2HB LYS 102 1HB LYS 102 7.486 -3.872 8.556 846 1HG LYS 102 2HG LYS 102 10.097 -5.102 8.501 847 2HG LYS 102 1HG LYS 102 10.139 -3.486 9.211 848 1HD LYS 102 2HD LYS 102 8.823 -4.077 10.978 849 2HD LYS 102 1HD LYS 102 7.935 -5.286 10.048 850 1HE LYS 102 2HE LYS 102 9.172 -6.590 11.508 851 2HE LYS 102 1HE LYS 102 10.176 -6.585 10.060 852 1HZ LYS 102 1HZ LYS 102 11.078 -6.004 12.505 853 2HZ LYS 102 2HZ LYS 102 10.715 -4.448 11.947 854 3HZ LYS 102 3HZ LYS 102 11.789 -5.427 11.082 855 H ILE 103 H ILE 103 5.811 -4.176 6.610 856 HA ILE 103 HA ILE 103 4.660 -6.396 7.888 857 HB ILE 103 HB ILE 103 2.535 -5.665 6.795 858 1HG1 ILE 103 2HG1 ILE 103 3.097 -3.126 5.891 859 2HG1 ILE 103 1HG1 ILE 103 4.421 -4.077 5.231 860 1HG2 ILE 103 1HG2 ILE 103 2.334 -3.619 8.082 861 2HG2 ILE 103 2HG2 ILE 103 4.089 -3.505 8.196 862 3HG2 ILE 103 3HG2 ILE 103 3.238 -4.836 8.982 863 1HD1 ILE 103 1HD1 ILE 103 1.711 -5.194 4.905 864 2HD1 ILE 103 2HD1 ILE 103 3.083 -5.194 3.799 865 3HD1 ILE 103 3HD1 ILE 103 2.095 -3.745 3.979 866 H LEU 104 H LEU 104 5.368 -5.749 4.479 867 HA LEU 104 HA LEU 104 3.977 -7.929 3.380 868 1HB LEU 104 2HB LEU 104 5.898 -5.968 2.478 869 2HB LEU 104 1HB LEU 104 6.251 -7.542 1.791 870 HG LEU 104 HG LEU 104 3.426 -6.655 1.654 871 1HD1 LEU 104 1HD1 LEU 104 5.090 -4.699 1.076 872 2HD1 LEU 104 2HD1 LEU 104 3.671 -5.020 0.078 873 3HD1 LEU 104 3HD1 LEU 104 5.258 -5.593 -0.433 874 1HD2 LEU 104 1HD2 LEU 104 4.108 -8.796 0.740 875 2HD2 LEU 104 2HD2 LEU 104 5.316 -8.004 -0.273 876 3HD2 LEU 104 3HD2 LEU 104 3.598 -7.714 -0.558 877 H SER 105 H SER 105 6.993 -7.784 5.108 878 HA SER 105 HA SER 105 7.808 -10.434 4.225 879 1HB SER 105 2HB SER 105 9.431 -8.507 4.633 880 2HB SER 105 1HB SER 105 9.141 -8.758 6.354 881 HG SER 105 HG SER 105 9.901 -10.894 6.103 882 H GLN 106 H GLN 106 5.359 -9.797 6.018 883 HA GLN 106 HA GLN 106 6.078 -11.451 8.331 884 1HB GLN 106 2HB GLN 106 3.763 -9.596 7.803 885 2HB GLN 106 1HB GLN 106 3.776 -10.721 9.153 886 1HG GLN 106 2HG GLN 106 6.225 -9.380 9.275 887 2HG GLN 106 1HG GLN 106 5.020 -8.148 8.908 888 1HE2 GLN 106 1HE2 GLN 106 4.422 -7.159 10.705 889 2HE2 GLN 106 2HE2 GLN 106 4.102 -7.919 12.222 890 H GLU 107 H GLU 107 3.940 -11.307 5.535 891 HA GLU 107 HA GLU 107 2.223 -13.423 6.116 892 1HB GLU 107 2HB GLU 107 2.495 -11.729 4.021 893 2HB GLU 107 1HB GLU 107 3.129 -13.205 3.307 894 1HG GLU 107 2HG GLU 107 0.509 -13.222 4.744 895 2HG GLU 107 1HG GLU 107 0.618 -12.656 3.079 896 H ARG 108 H ARG 108 5.519 -13.455 4.867 897 HA ARG 108 HA ARG 108 5.451 -16.399 4.890 898 1HB ARG 108 2HB ARG 108 6.678 -14.452 3.071 899 2HB ARG 108 1HB ARG 108 7.770 -15.735 3.572 900 1HG ARG 108 2HG ARG 108 6.293 -17.416 2.729 901 2HG ARG 108 1HG ARG 108 5.040 -16.216 2.403 902 1HD ARG 108 2HD ARG 108 7.217 -15.230 1.033 903 2HD ARG 108 1HD ARG 108 7.370 -16.973 0.818 904 HE ARG 108 HE ARG 108 5.537 -16.932 -0.546 905 1HH1 ARG 108 1HH1 ARG 108 5.642 -13.931 1.257 906 2HH1 ARG 108 2HH1 ARG 108 4.349 -13.205 0.365 907 1HH2 ARG 108 1HH2 ARG 108 3.833 -15.967 -1.721 908 2HH2 ARG 108 2HH2 ARG 108 3.321 -14.361 -1.326 909 H LEU 109 H LEU 109 8.065 -13.978 5.128 910 HA LEU 109 HA LEU 109 9.717 -13.636 6.643 911 1HB LEU 109 2HB LEU 109 7.790 -13.670 8.268 912 2HB LEU 109 1HB LEU 109 8.152 -15.362 8.558 913 HG LEU 109 HG LEU 109 10.463 -14.647 9.279 914 1HD1 LEU 109 1HD1 LEU 109 10.770 -12.528 8.360 915 2HD1 LEU 109 2HD1 LEU 109 10.499 -12.205 10.072 916 3HD1 LEU 109 3HD1 LEU 109 9.195 -11.956 8.910 917 1HD2 LEU 109 1HD2 LEU 109 9.793 -14.321 11.467 918 2HD2 LEU 109 2HD2 LEU 109 8.371 -15.081 10.751 919 3HD2 LEU 109 3HD2 LEU 109 8.404 -13.336 11.007 920 H GLU 110 H GLU 110 8.657 -16.976 7.395 921 HA GLU 110 HA GLU 110 11.334 -17.906 6.586 922 1HB GLU 110 2HB GLU 110 9.706 -18.670 9.008 923 2HB GLU 110 1HB GLU 110 10.998 -19.693 8.397 924 1HG GLU 110 2HG GLU 110 11.346 -16.830 9.255 925 2HG GLU 110 1HG GLU 110 11.687 -18.234 10.264 926 H HIS 111 H HIS 111 11.176 -20.507 6.523 927 HA HIS 111 HA HIS 111 9.271 -21.055 4.427 928 1HB HIS 111 2HB HIS 111 11.467 -22.692 5.698 929 2HB HIS 111 1HB HIS 111 10.402 -23.337 4.455 930 HD1 HIS 111 1HD HIS 111 13.572 -21.734 4.830 931 HD2 HIS 111 2HD HIS 111 10.536 -21.602 1.995 932 HE1 HIS 111 1HE HIS 111 14.632 -20.794 2.752 933 HE2 HIS 111 2HE HIS 111 12.751 -20.622 1.086 934 H HIS 112 H HIS 112 8.284 -23.431 4.545 935 HA HIS 112 HA HIS 112 6.955 -23.706 7.162 936 1HB HIS 112 2HB HIS 112 5.781 -23.976 4.393 937 2HB HIS 112 1HB HIS 112 4.967 -24.553 5.842 938 HD1 HIS 112 1HD HIS 112 6.285 -21.725 7.239 939 HD2 HIS 112 2HD HIS 112 3.455 -22.239 4.236 940 HE1 HIS 112 1HE HIS 112 4.957 -19.591 7.191 941 HE2 HIS 112 2HE HIS 112 3.200 -19.956 5.425 942 H HIS 113 H HIS 113 7.255 -25.599 8.122 943 HA HIS 113 HA HIS 113 7.637 -27.805 8.502 944 1HB HIS 113 2HB HIS 113 7.133 -28.289 5.562 945 2HB HIS 113 1HB HIS 113 7.015 -29.455 6.876 946 HD1 HIS 113 1HD HIS 113 4.984 -29.041 8.587 947 HD2 HIS 113 2HD HIS 113 4.828 -26.939 5.007 948 HE1 HIS 113 1HE HIS 113 2.604 -28.257 8.371 949 HE2 HIS 113 2HE HIS 113 2.556 -26.911 6.241 950 H HIS 114 H HIS 114 9.363 -29.262 8.478 951 HA HIS 114 HA HIS 114 11.385 -29.261 6.483 952 1HB HIS 114 2HB HIS 114 11.845 -27.054 7.534 953 2HB HIS 114 1HB HIS 114 12.105 -27.869 9.073 954 HD1 HIS 114 1HD HIS 114 14.419 -28.656 9.531 955 HD2 HIS 114 2HD HIS 114 13.814 -27.818 5.508 956 HE1 HIS 114 1HE HIS 114 16.683 -28.859 8.456 957 HE2 HIS 114 2HE HIS 114 16.271 -28.455 6.003 958 H HIS 115 H HIS 115 11.070 -29.662 10.026 959 HA HIS 115 HA HIS 115 12.624 -32.111 9.913 960 1HB HIS 115 2HB HIS 115 12.100 -30.135 11.886 961 2HB HIS 115 1HB HIS 115 11.480 -31.661 12.504 962 HD1 HIS 115 1HD HIS 115 14.698 -30.208 11.112 963 HD2 HIS 115 2HD HIS 115 13.382 -33.312 13.540 964 HE1 HIS 115 1HE HIS 115 16.783 -31.266 12.038 965 HE2 HIS 115 2HE HIS 115 15.959 -33.092 13.567 966 H HIS 116 H HIS 116 9.483 -31.308 11.427 967 HA HIS 116 HA HIS 116 8.193 -33.544 10.165 968 1HB HIS 116 2HB HIS 116 7.531 -34.625 12.335 969 2HB HIS 116 1HB HIS 116 9.226 -34.815 11.911 970 HD1 HIS 116 1HD HIS 116 10.953 -33.434 13.336 971 HD2 HIS 116 2HD HIS 116 7.035 -33.296 14.712 972 HE1 HIS 116 1HE HIS 116 11.095 -32.523 15.675 973 HE2 HIS 116 2HE HIS 116 8.702 -32.349 16.449 Start of MODEL 16 1 1H MET 0 1HT MET 0 1.243 -26.621 -7.698 2 2H MET 0 2HT MET 0 0.759 -28.241 -7.994 3 3H MET 0 3HT MET 0 1.120 -27.728 -6.397 4 HA MET 0 HA MET 0 -1.062 -26.657 -8.059 5 1HB MET 0 2HB MET 0 -2.518 -28.008 -6.551 6 2HB MET 0 1HB MET 0 -1.487 -28.989 -7.583 7 1HG MET 0 2HG MET 0 -0.448 -29.923 -5.848 8 2HG MET 0 1HG MET 0 -0.277 -28.386 -5.004 9 1HE MET 0 1HE MET 0 -2.016 -27.270 -3.625 10 2HE MET 0 2HE MET 0 -3.461 -28.024 -2.950 11 3HE MET 0 3HE MET 0 -3.458 -27.460 -4.621 12 H GLU 1 H GLU 1 -1.970 -24.861 -7.240 13 HA GLU 1 HA GLU 1 -1.479 -24.178 -4.424 14 1HB GLU 1 2HB GLU 1 -0.932 -22.480 -6.846 15 2HB GLU 1 1HB GLU 1 -1.250 -21.752 -5.276 16 1HG GLU 1 2HG GLU 1 0.645 -23.515 -4.575 17 2HG GLU 1 1HG GLU 1 1.116 -23.215 -6.249 18 H GLU 2 H GLU 2 -3.832 -25.271 -5.757 19 HA GLU 2 HA GLU 2 -5.720 -23.071 -5.914 20 1HB GLU 2 2HB GLU 2 -5.592 -25.685 -6.983 21 2HB GLU 2 1HB GLU 2 -6.981 -25.656 -5.907 22 1HG GLU 2 2HG GLU 2 -6.723 -23.358 -7.730 23 2HG GLU 2 1HG GLU 2 -7.058 -24.913 -8.486 24 H VAL 3 H VAL 3 -7.560 -22.863 -4.567 25 HA VAL 3 HA VAL 3 -8.695 -22.810 -2.597 26 HB VAL 3 HB VAL 3 -7.408 -25.443 -1.882 27 1HG1 VAL 3 1HG1 VAL 3 -9.861 -25.652 -0.928 28 2HG1 VAL 3 2HG1 VAL 3 -9.760 -23.890 -0.936 29 3HG1 VAL 3 3HG1 VAL 3 -8.585 -24.838 -0.023 30 1HG2 VAL 3 1HG2 VAL 3 -9.585 -24.833 -3.839 31 2HG2 VAL 3 2HG2 VAL 3 -9.619 -26.342 -2.925 32 3HG2 VAL 3 3HG2 VAL 3 -8.247 -25.974 -3.969 33 H GLU 4 H GLU 4 -5.699 -22.052 -2.857 34 HA GLU 4 HA GLU 4 -5.212 -21.771 0.035 35 1HB GLU 4 2HB GLU 4 -3.183 -22.185 -2.166 36 2HB GLU 4 1HB GLU 4 -2.777 -21.765 -0.508 37 1HG GLU 4 2HG GLU 4 -4.396 -24.206 -1.120 38 2HG GLU 4 1HG GLU 4 -2.636 -24.222 -1.236 39 H GLN 5 H GLN 5 -6.250 -20.073 -2.476 40 HA GLN 5 HA GLN 5 -4.512 -17.755 -2.176 41 1HB GLN 5 2HB GLN 5 -6.962 -18.084 -3.917 42 2HB GLN 5 1HB GLN 5 -5.766 -16.798 -4.016 43 1HG GLN 5 2HG GLN 5 -4.203 -18.136 -5.021 44 2HG GLN 5 1HG GLN 5 -4.865 -19.615 -4.328 45 1HE2 GLN 5 1HE2 GLN 5 -6.384 -20.745 -5.429 46 2HE2 GLN 5 2HE2 GLN 5 -6.965 -20.307 -6.996 47 H THR 6 H THR 6 -7.627 -18.920 -1.167 48 HA THR 6 HA THR 6 -8.865 -16.497 -0.504 49 HB THR 6 HB THR 6 -9.488 -18.679 1.338 50 HG1 THR 6 1HG THR 6 -9.303 -20.233 -0.051 51 1HG2 THR 6 1HG2 THR 6 -11.360 -17.498 1.193 52 2HG2 THR 6 2HG2 THR 6 -11.633 -18.354 -0.326 53 3HG2 THR 6 3HG2 THR 6 -10.882 -16.757 -0.335 54 HA PRO 7 HA PRO 7 -7.018 -17.312 4.034 55 1HB PRO 7 2HB PRO 7 -4.468 -18.527 3.086 56 2HB PRO 7 1HB PRO 7 -5.397 -18.857 4.552 57 1HG PRO 7 2HG PRO 7 -5.444 -20.561 2.513 58 2HG PRO 7 1HG PRO 7 -6.916 -20.216 3.442 59 1HD PRO 7 2HD PRO 7 -6.109 -19.250 0.734 60 2HD PRO 7 1HD PRO 7 -7.717 -19.692 1.345 61 H LEU 8 H LEU 8 -4.965 -16.716 1.200 62 HA LEU 8 HA LEU 8 -3.164 -14.903 2.334 63 1HB LEU 8 2HB LEU 8 -3.772 -15.883 -0.253 64 2HB LEU 8 1HB LEU 8 -3.773 -14.134 -0.361 65 HG LEU 8 HG LEU 8 -1.470 -15.277 1.076 66 1HD1 LEU 8 1HD1 LEU 8 -2.071 -16.824 -0.945 67 2HD1 LEU 8 2HD1 LEU 8 -0.406 -16.312 -0.676 68 3HD1 LEU 8 3HD1 LEU 8 -1.390 -15.504 -1.896 69 1HD2 LEU 8 1HD2 LEU 8 -0.297 -13.623 -0.384 70 2HD2 LEU 8 2HD2 LEU 8 -1.548 -12.929 0.647 71 3HD2 LEU 8 3HD2 LEU 8 -1.865 -13.195 -1.067 72 H GLN 9 H GLN 9 -6.399 -14.417 1.011 73 HA GLN 9 HA GLN 9 -6.454 -11.638 0.861 74 1HB GLN 9 2HB GLN 9 -8.228 -13.571 0.302 75 2HB GLN 9 1HB GLN 9 -8.903 -13.012 1.826 76 1HG GLN 9 2HG GLN 9 -9.228 -10.825 0.984 77 2HG GLN 9 1HG GLN 9 -8.271 -11.166 -0.457 78 1HE2 GLN 9 1HE2 GLN 9 -10.294 -10.264 -1.429 79 2HE2 GLN 9 2HE2 GLN 9 -11.558 -11.380 -1.810 80 H GLU 10 H GLU 10 -6.930 -13.766 3.639 81 HA GLU 10 HA GLU 10 -7.872 -11.803 5.437 82 1HB GLU 10 2HB GLU 10 -6.297 -14.287 6.139 83 2HB GLU 10 1HB GLU 10 -7.384 -13.392 7.190 84 1HG GLU 10 2HG GLU 10 -9.277 -14.027 5.789 85 2HG GLU 10 1HG GLU 10 -8.190 -14.905 4.714 86 H ALA 11 H ALA 11 -4.610 -13.075 4.795 87 HA ALA 11 HA ALA 11 -3.281 -11.474 6.713 88 1HB ALA 11 1HB ALA 11 -2.334 -13.524 5.646 89 2HB ALA 11 2HB ALA 11 -1.244 -12.138 5.653 90 3HB ALA 11 3HB ALA 11 -2.094 -12.581 4.174 91 H LEU 12 H LEU 12 -4.163 -10.941 3.338 92 HA LEU 12 HA LEU 12 -2.597 -8.666 2.847 93 1HB LEU 12 2HB LEU 12 -5.274 -9.461 1.705 94 2HB LEU 12 1HB LEU 12 -4.287 -8.151 1.086 95 HG LEU 12 HG LEU 12 -3.048 -10.853 1.265 96 1HD1 LEU 12 1HD1 LEU 12 -4.564 -11.833 -0.021 97 2HD1 LEU 12 2HD1 LEU 12 -4.147 -10.690 -1.294 98 3HD1 LEU 12 3HD1 LEU 12 -5.472 -10.332 -0.189 99 1HD2 LEU 12 1HD2 LEU 12 -1.761 -10.103 -0.544 100 2HD2 LEU 12 2HD2 LEU 12 -1.906 -8.710 0.528 101 3HD2 LEU 12 3HD2 LEU 12 -2.897 -8.809 -0.927 102 H ASN 13 H ASN 13 -5.944 -8.935 4.079 103 HA ASN 13 HA ASN 13 -6.319 -6.130 4.280 104 1HB ASN 13 2HB ASN 13 -8.366 -6.580 5.398 105 2HB ASN 13 1HB ASN 13 -8.174 -7.841 4.190 106 1HD2 ASN 13 1HD2 ASN 13 -8.730 -9.778 4.870 107 2HD2 ASN 13 2HD2 ASN 13 -8.630 -10.355 6.495 108 H GLN 14 H GLN 14 -4.999 -8.543 6.480 109 HA GLN 14 HA GLN 14 -5.023 -6.964 8.828 110 1HB GLN 14 2HB GLN 14 -3.995 -9.532 8.027 111 2HB GLN 14 1HB GLN 14 -2.763 -8.663 8.931 112 1HG GLN 14 2HG GLN 14 -4.038 -10.006 10.443 113 2HG GLN 14 1HG GLN 14 -4.391 -8.307 10.748 114 1HE2 GLN 14 1HE2 GLN 14 -5.602 -10.928 8.659 115 2HE2 GLN 14 2HE2 GLN 14 -7.274 -10.610 8.954 116 H LEU 15 H LEU 15 -2.695 -7.307 6.194 117 HA LEU 15 HA LEU 15 -0.652 -5.719 7.387 118 1HB LEU 15 2HB LEU 15 -0.041 -7.275 5.683 119 2HB LEU 15 1HB LEU 15 -1.198 -6.596 4.554 120 HG LEU 15 HG LEU 15 1.022 -4.857 5.541 121 1HD1 LEU 15 1HD1 LEU 15 2.668 -5.835 4.355 122 2HD1 LEU 15 2HD1 LEU 15 1.573 -6.426 3.107 123 3HD1 LEU 15 3HD1 LEU 15 1.715 -7.291 4.638 124 1HD2 LEU 15 1HD2 LEU 15 -0.735 -5.051 3.136 125 2HD2 LEU 15 2HD2 LEU 15 0.828 -4.243 3.015 126 3HD2 LEU 15 3HD2 LEU 15 -0.378 -3.661 4.161 127 H MET 16 H MET 16 -3.275 -5.054 5.091 128 HA MET 16 HA MET 16 -2.572 -2.368 4.561 129 1HB MET 16 2HB MET 16 -4.424 -4.125 3.558 130 2HB MET 16 1HB MET 16 -5.440 -2.983 4.427 131 1HG MET 16 2HG MET 16 -5.375 -1.829 2.516 132 2HG MET 16 1HG MET 16 -3.804 -1.288 3.104 133 1HE MET 16 1HE MET 16 -1.317 -3.575 1.273 134 2HE MET 16 2HE MET 16 -1.795 -3.055 2.889 135 3HE MET 16 3HE MET 16 -1.459 -1.855 1.640 136 H ARG 17 H ARG 17 -4.902 -3.786 6.865 137 HA ARG 17 HA ARG 17 -5.790 -1.304 7.899 138 1HB ARG 17 2HB ARG 17 -6.679 -2.642 9.799 139 2HB ARG 17 1HB ARG 17 -7.160 -3.251 8.223 140 1HG ARG 17 2HG ARG 17 -6.522 -5.244 8.974 141 2HG ARG 17 1HG ARG 17 -4.871 -4.674 8.740 142 1HD ARG 17 2HD ARG 17 -4.485 -4.786 10.924 143 2HD ARG 17 1HD ARG 17 -5.847 -3.715 11.249 144 HE ARG 17 HE ARG 17 -5.774 -6.564 11.553 145 1HH1 ARG 17 1HH1 ARG 17 -7.891 -3.844 10.927 146 2HH1 ARG 17 2HH1 ARG 17 -9.298 -4.637 11.548 147 1HH2 ARG 17 1HH2 ARG 17 -7.637 -7.611 12.352 148 2HH2 ARG 17 2HH2 ARG 17 -9.153 -6.774 12.360 149 H GLN 18 H GLN 18 -3.184 -3.494 8.843 150 HA GLN 18 HA GLN 18 -2.498 -2.245 11.270 151 1HB GLN 18 2HB GLN 18 -1.702 -4.494 10.474 152 2HB GLN 18 1HB GLN 18 -0.611 -3.659 9.378 153 1HG GLN 18 2HG GLN 18 0.756 -2.932 11.070 154 2HG GLN 18 1HG GLN 18 -0.521 -3.011 12.283 155 1HE2 GLN 18 1HE2 GLN 18 1.170 -5.201 10.051 156 2HE2 GLN 18 2HE2 GLN 18 1.386 -6.474 11.198 157 H LEU 19 H LEU 19 -1.452 -1.676 7.931 158 HA LEU 19 HA LEU 19 0.496 0.295 8.547 159 1HB LEU 19 2HB LEU 19 -0.915 -0.619 6.087 160 2HB LEU 19 1HB LEU 19 -0.096 0.930 6.037 161 HG LEU 19 HG LEU 19 1.478 -1.350 7.087 162 1HD1 LEU 19 1HD1 LEU 19 0.035 -1.838 4.820 163 2HD1 LEU 19 2HD1 LEU 19 1.570 -2.601 5.236 164 3HD1 LEU 19 3HD1 LEU 19 1.543 -1.197 4.169 165 1HD2 LEU 19 1HD2 LEU 19 3.251 -0.126 6.381 166 2HD2 LEU 19 2HD2 LEU 19 2.086 1.183 6.555 167 3HD2 LEU 19 3HD2 LEU 19 2.408 0.497 4.964 168 H GLN 20 H GLN 20 -2.945 0.456 7.721 169 HA GLN 20 HA GLN 20 -3.092 3.274 7.514 170 1HB GLN 20 2HB GLN 20 -5.081 1.071 7.826 171 2HB GLN 20 1HB GLN 20 -5.609 2.723 8.116 172 1HG GLN 20 2HG GLN 20 -4.595 3.252 5.830 173 2HG GLN 20 1HG GLN 20 -4.564 1.507 5.586 174 1HE2 GLN 20 1HE2 GLN 20 -6.334 0.568 4.821 175 2HE2 GLN 20 2HE2 GLN 20 -7.896 1.298 4.722 176 H ARG 21 H ARG 21 -3.441 1.046 10.225 177 HA ARG 21 HA ARG 21 -4.496 2.854 12.100 178 1HB ARG 21 2HB ARG 21 -2.993 0.274 12.301 179 2HB ARG 21 1HB ARG 21 -3.295 1.215 13.755 180 1HG ARG 21 2HG ARG 21 -5.771 1.189 12.768 181 2HG ARG 21 1HG ARG 21 -5.170 -0.306 12.050 182 1HD ARG 21 2HD ARG 21 -4.936 -1.348 14.071 183 2HD ARG 21 1HD ARG 21 -4.634 0.157 14.937 184 HE ARG 21 HE ARG 21 -6.883 0.357 15.315 185 1HH1 ARG 21 1HH1 ARG 21 -6.390 -2.050 12.815 186 2HH1 ARG 21 2HH1 ARG 21 -8.046 -2.554 12.804 187 1HH2 ARG 21 1HH2 ARG 21 -9.066 -0.311 15.291 188 2HH2 ARG 21 2HH2 ARG 21 -9.566 -1.566 14.207 189 H LYS 22 H LYS 22 -1.325 2.652 10.769 190 HA LYS 22 HA LYS 22 0.331 3.486 12.800 191 1HB LYS 22 2HB LYS 22 0.319 4.001 9.848 192 2HB LYS 22 1HB LYS 22 1.508 4.804 10.862 193 1HG LYS 22 2HG LYS 22 1.548 2.104 11.614 194 2HG LYS 22 1HG LYS 22 1.492 2.128 9.851 195 1HD LYS 22 2HD LYS 22 3.762 2.230 10.264 196 2HD LYS 22 1HD LYS 22 3.349 3.933 10.078 197 1HE LYS 22 2HE LYS 22 4.464 4.161 12.024 198 2HE LYS 22 1HE LYS 22 2.945 3.615 12.732 199 1HZ LYS 22 1HZ LYS 22 5.241 2.470 13.287 200 2HZ LYS 22 2HZ LYS 22 4.860 1.561 11.913 201 3HZ LYS 22 3HZ LYS 22 3.798 1.588 13.229 202 H ASP 23 H ASP 23 -0.833 5.817 10.367 203 HA ASP 23 HA ASP 23 -2.234 7.627 11.726 204 1HB ASP 23 2HB ASP 23 0.451 7.642 12.817 205 2HB ASP 23 1HB ASP 23 0.020 9.216 12.161 206 HA PRO 24 HA PRO 24 0.380 10.037 8.357 207 1HB PRO 24 2HB PRO 24 1.958 7.804 7.243 208 2HB PRO 24 1HB PRO 24 2.461 9.447 7.645 209 1HG PRO 24 2HG PRO 24 3.208 7.358 9.143 210 2HG PRO 24 1HG PRO 24 2.837 8.933 9.865 211 1HD PRO 24 2HD PRO 24 1.166 6.461 9.768 212 2HD PRO 24 1HD PRO 24 1.394 7.624 11.087 213 H SER 25 H SER 25 -0.554 6.658 7.894 214 HA SER 25 HA SER 25 -1.129 6.655 5.178 215 1HB SER 25 2HB SER 25 -1.163 4.630 6.617 216 2HB SER 25 1HB SER 25 -2.673 5.192 7.332 217 HG SER 25 HG SER 25 -3.659 4.999 5.316 218 H ALA 26 H ALA 26 -2.948 8.029 7.838 219 HA ALA 26 HA ALA 26 -5.473 8.288 6.749 220 1HB ALA 26 1HB ALA 26 -5.426 8.987 8.919 221 2HB ALA 26 2HB ALA 26 -5.402 10.552 8.109 222 3HB ALA 26 3HB ALA 26 -3.904 9.855 8.725 223 H PHE 27 H PHE 27 -2.554 10.019 5.907 224 HA PHE 27 HA PHE 27 -3.689 12.262 4.649 225 1HB PHE 27 2HB PHE 27 -1.063 10.826 4.324 226 2HB PHE 27 1HB PHE 27 -1.484 12.190 3.294 227 HD1 PHE 27 2HD PHE 27 -1.928 11.551 6.957 228 HD2 PHE 27 1HD PHE 27 -0.273 14.023 3.915 229 HE1 PHE 27 2HE PHE 27 -1.114 13.111 8.674 230 HE2 PHE 27 1HE PHE 27 0.544 15.587 5.626 231 HZ PHE 27 HZ PHE 27 0.123 15.134 8.010 232 H PHE 28 H PHE 28 -2.751 9.083 3.340 233 HA PHE 28 HA PHE 28 -4.305 9.717 0.913 234 1HB PHE 28 2HB PHE 28 -2.169 7.606 0.962 235 2HB PHE 28 1HB PHE 28 -2.808 8.504 -0.409 236 HD1 PHE 28 1HD PHE 28 -2.354 11.087 -0.347 237 HD2 PHE 28 2HD PHE 28 -0.117 8.187 1.818 238 HE1 PHE 28 1HE PHE 28 -0.472 12.661 -0.191 239 HE2 PHE 28 2HE PHE 28 1.771 9.755 1.977 240 HZ PHE 28 HZ PHE 28 1.594 11.996 0.972 241 H SER 29 H SER 29 -5.240 8.519 3.473 242 HA SER 29 HA SER 29 -5.688 5.734 3.031 243 1HB SER 29 2HB SER 29 -7.056 5.805 5.001 244 2HB SER 29 1HB SER 29 -5.672 6.857 5.285 245 HG SER 29 HG SER 29 -6.992 8.482 5.475 246 H PHE 30 H PHE 30 -7.087 8.510 1.694 247 HA PHE 30 HA PHE 30 -9.446 6.987 0.831 248 1HB PHE 30 2HB PHE 30 -10.259 9.547 0.494 249 2HB PHE 30 1HB PHE 30 -10.583 8.612 1.946 250 HD1 PHE 30 1HD PHE 30 -8.533 11.269 0.470 251 HD2 PHE 30 2HD PHE 30 -9.493 9.129 4.022 252 HE1 PHE 30 1HE PHE 30 -7.358 12.967 1.807 253 HE2 PHE 30 2HE PHE 30 -8.321 10.826 5.363 254 HZ PHE 30 HZ PHE 30 -7.252 12.748 4.256 255 HA PRO 31 HA PRO 31 -8.233 7.679 -3.340 256 1HB PRO 31 2HB PRO 31 -10.568 8.332 -4.589 257 2HB PRO 31 1HB PRO 31 -10.173 6.691 -4.062 258 1HG PRO 31 2HG PRO 31 -11.885 8.748 -2.725 259 2HG PRO 31 1HG PRO 31 -12.169 7.008 -2.919 260 1HD PRO 31 2HD PRO 31 -11.258 8.070 -0.610 261 2HD PRO 31 1HD PRO 31 -10.772 6.456 -1.166 262 H VAL 32 H VAL 32 -6.929 9.411 -3.591 263 HA VAL 32 HA VAL 32 -7.496 12.045 -2.994 264 HB VAL 32 HB VAL 32 -5.739 12.530 -4.905 265 1HG1 VAL 32 1HG1 VAL 32 -3.975 12.167 -3.280 266 2HG1 VAL 32 2HG1 VAL 32 -5.033 11.114 -2.339 267 3HG1 VAL 32 3HG1 VAL 32 -5.411 12.831 -2.500 268 1HG2 VAL 32 1HG2 VAL 32 -6.094 9.885 -5.370 269 2HG2 VAL 32 2HG2 VAL 32 -4.689 9.866 -4.307 270 3HG2 VAL 32 3HG2 VAL 32 -4.649 10.796 -5.806 271 H THR 33 H THR 33 -8.183 13.829 -4.131 272 HA THR 33 HA THR 33 -9.386 13.344 -6.767 273 HB THR 33 HB THR 33 -10.840 15.259 -5.071 274 HG1 THR 33 1HG THR 33 -11.742 13.765 -3.727 275 1HG2 THR 33 1HG2 THR 33 -12.711 14.493 -6.124 276 2HG2 THR 33 2HG2 THR 33 -12.076 12.858 -6.308 277 3HG2 THR 33 3HG2 THR 33 -11.489 14.153 -7.350 278 H ASP 34 H ASP 34 -10.416 15.918 -7.163 279 HA ASP 34 HA ASP 34 -8.029 17.333 -7.856 280 1HB ASP 34 2HB ASP 34 -10.595 17.212 -8.857 281 2HB ASP 34 1HB ASP 34 -10.538 18.808 -8.119 282 H PHE 35 H PHE 35 -9.657 17.170 -4.966 283 HA PHE 35 HA PHE 35 -8.739 19.858 -4.195 284 1HB PHE 35 2HB PHE 35 -11.116 20.017 -4.229 285 2HB PHE 35 1HB PHE 35 -11.304 18.447 -3.458 286 HD1 PHE 35 2HD PHE 35 -10.679 18.189 -1.047 287 HD2 PHE 35 1HD PHE 35 -10.898 21.983 -2.961 288 HE1 PHE 35 2HE PHE 35 -10.812 19.288 1.152 289 HE2 PHE 35 1HE PHE 35 -11.030 23.088 -0.768 290 HZ PHE 35 HZ PHE 35 -10.987 21.741 1.293 291 H ILE 36 H ILE 36 -9.514 16.567 -3.139 292 HA ILE 36 HA ILE 36 -8.408 16.718 -0.568 293 HB ILE 36 HB ILE 36 -8.878 14.390 -2.427 294 1HG1 ILE 36 2HG1 ILE 36 -10.289 15.193 0.125 295 2HG1 ILE 36 1HG1 ILE 36 -10.831 15.659 -1.484 296 1HG2 ILE 36 1HG2 ILE 36 -7.359 13.324 -1.164 297 2HG2 ILE 36 2HG2 ILE 36 -8.693 13.219 -0.016 298 3HG2 ILE 36 3HG2 ILE 36 -7.477 14.484 0.156 299 1HD1 ILE 36 1HD1 ILE 36 -12.099 13.828 -1.317 300 2HD1 ILE 36 2HD1 ILE 36 -11.077 13.106 -0.076 301 3HD1 ILE 36 3HD1 ILE 36 -10.623 12.980 -1.776 302 H ALA 37 H ALA 37 -6.978 16.181 -3.718 303 HA ALA 37 HA ALA 37 -4.330 15.840 -2.465 304 1HB ALA 37 1HB ALA 37 -5.559 14.180 -4.269 305 2HB ALA 37 2HB ALA 37 -3.826 14.254 -3.960 306 3HB ALA 37 3HB ALA 37 -4.523 15.166 -5.298 307 HA PRO 38 HA PRO 38 -3.032 19.600 -4.351 308 1HB PRO 38 2HB PRO 38 -0.370 18.670 -4.892 309 2HB PRO 38 1HB PRO 38 -0.912 19.713 -3.578 310 1HG PRO 38 2HG PRO 38 -0.010 17.124 -3.273 311 2HG PRO 38 1HG PRO 38 -1.028 17.986 -2.111 312 1HD PRO 38 2HD PRO 38 -1.767 15.909 -4.105 313 2HD PRO 38 1HD PRO 38 -2.450 16.233 -2.502 314 H GLY 39 H GLY 39 -3.401 16.943 -6.110 315 1HA GLY 39 2HA GLY 39 -4.067 17.612 -8.484 316 2HA GLY 39 1HA GLY 39 -2.390 18.116 -8.609 317 H TYR 40 H TYR 40 -3.514 15.232 -6.907 318 HA TYR 40 HA TYR 40 -1.634 13.533 -8.086 319 1HB TYR 40 2HB TYR 40 -4.169 13.079 -6.553 320 2HB TYR 40 1HB TYR 40 -3.390 11.710 -7.338 321 HD1 TYR 40 2HD TYR 40 -1.979 14.658 -5.528 322 HD2 TYR 40 1HD TYR 40 -2.371 10.415 -5.683 323 HE1 TYR 40 2HE TYR 40 -0.463 14.451 -3.611 324 HE2 TYR 40 1HE TYR 40 -0.856 10.209 -3.765 325 HH TYR 40 HH TYR 40 1.033 12.790 -2.616 326 H SER 41 H SER 41 -5.121 13.842 -8.798 327 HA SER 41 HA SER 41 -5.091 12.048 -10.990 328 1HB SER 41 2HB SER 41 -7.027 14.271 -10.302 329 2HB SER 41 1HB SER 41 -7.299 13.062 -11.558 330 HG SER 41 HG SER 41 -7.234 12.748 -8.767 331 H MET 42 H MET 42 -4.242 15.412 -10.718 332 HA MET 42 HA MET 42 -4.474 15.985 -13.523 333 1HB MET 42 2HB MET 42 -4.611 17.591 -11.455 334 2HB MET 42 1HB MET 42 -2.866 17.667 -11.648 335 1HG MET 42 2HG MET 42 -3.514 18.169 -14.153 336 2HG MET 42 1HG MET 42 -5.020 18.698 -13.407 337 1HE MET 42 1HE MET 42 -1.008 19.975 -13.730 338 2HE MET 42 2HE MET 42 -1.942 21.285 -14.452 339 3HE MET 42 3HE MET 42 -2.245 19.615 -14.934 340 H ILE 43 H ILE 43 -1.891 14.852 -11.421 341 HA ILE 43 HA ILE 43 -0.023 15.084 -13.691 342 HB ILE 43 HB ILE 43 0.552 16.363 -11.594 343 1HG1 ILE 43 2HG1 ILE 43 2.916 14.853 -11.643 344 2HG1 ILE 43 1HG1 ILE 43 2.201 14.645 -13.239 345 1HG2 ILE 43 1HG2 ILE 43 1.136 13.620 -10.490 346 2HG2 ILE 43 2HG2 ILE 43 -0.186 14.666 -9.976 347 3HG2 ILE 43 3HG2 ILE 43 1.483 15.163 -9.711 348 1HD1 ILE 43 1HD1 ILE 43 2.891 16.651 -13.847 349 2HD1 ILE 43 2HD1 ILE 43 3.719 16.797 -12.296 350 3HD1 ILE 43 3HD1 ILE 43 2.070 17.399 -12.476 351 H ILE 44 H ILE 44 -1.047 12.943 -11.054 352 HA ILE 44 HA ILE 44 0.284 10.729 -12.425 353 HB ILE 44 HB ILE 44 0.297 11.496 -9.675 354 1HG1 ILE 44 2HG1 ILE 44 1.746 9.217 -9.808 355 2HG1 ILE 44 1HG1 ILE 44 1.646 9.624 -11.513 356 1HG2 ILE 44 1HG2 ILE 44 -1.588 10.120 -9.207 357 2HG2 ILE 44 2HG2 ILE 44 -0.152 9.257 -8.662 358 3HG2 ILE 44 3HG2 ILE 44 -0.936 8.796 -10.172 359 1HD1 ILE 44 1HD1 ILE 44 3.647 10.539 -10.560 360 2HD1 ILE 44 2HD1 ILE 44 2.714 11.362 -9.310 361 3HD1 ILE 44 3HD1 ILE 44 2.549 11.847 -10.999 362 H LYS 45 H LYS 45 -1.107 9.888 -13.742 363 HA LYS 45 HA LYS 45 -3.878 9.846 -13.568 364 1HB LYS 45 2HB LYS 45 -1.857 8.722 -15.271 365 2HB LYS 45 1HB LYS 45 -3.117 7.529 -14.987 366 1HG LYS 45 2HG LYS 45 -4.807 9.144 -15.729 367 2HG LYS 45 1HG LYS 45 -3.533 10.325 -16.036 368 1HD LYS 45 2HD LYS 45 -3.102 7.724 -17.321 369 2HD LYS 45 1HD LYS 45 -4.541 8.577 -17.881 370 1HE LYS 45 2HE LYS 45 -2.220 10.320 -17.646 371 2HE LYS 45 1HE LYS 45 -1.952 8.979 -18.760 372 1HZ LYS 45 1HZ LYS 45 -2.880 10.957 -19.849 373 2HZ LYS 45 2HZ LYS 45 -4.264 10.843 -18.884 374 3HZ LYS 45 3HZ LYS 45 -3.903 9.616 -19.992 375 H HIS 46 H HIS 46 -1.570 7.313 -12.545 376 HA HIS 46 HA HIS 46 -3.814 6.007 -11.153 377 1HB HIS 46 2HB HIS 46 -2.124 4.941 -13.107 378 2HB HIS 46 1HB HIS 46 -1.553 4.252 -11.592 379 HD1 HIS 46 1HD HIS 46 -4.465 4.099 -10.283 380 HD2 HIS 46 2HD HIS 46 -3.331 2.616 -13.997 381 HE1 HIS 46 1HE HIS 46 -6.122 2.287 -10.817 382 HE2 HIS 46 2HE HIS 46 -5.375 1.356 -13.036 383 HA PRO 47 HA PRO 47 -0.839 7.188 -7.813 384 1HB PRO 47 2HB PRO 47 -2.684 8.162 -6.097 385 2HB PRO 47 1HB PRO 47 -1.989 9.138 -7.395 386 1HG PRO 47 2HG PRO 47 -4.648 7.802 -7.238 387 2HG PRO 47 1HG PRO 47 -4.213 9.360 -7.960 388 1HD PRO 47 2HD PRO 47 -4.611 7.018 -9.377 389 2HD PRO 47 1HD PRO 47 -3.677 8.408 -9.958 390 H MET 48 H MET 48 -4.050 5.689 -7.512 391 HA MET 48 HA MET 48 -4.869 3.951 -6.309 392 1HB MET 48 2HB MET 48 -1.994 3.103 -6.621 393 2HB MET 48 1HB MET 48 -3.212 2.066 -5.891 394 1HG MET 48 2HG MET 48 -4.036 3.170 -8.456 395 2HG MET 48 1HG MET 48 -2.576 2.190 -8.559 396 1HE MET 48 1HE MET 48 -6.417 0.573 -6.599 397 2HE MET 48 2HE MET 48 -5.947 2.271 -6.672 398 3HE MET 48 3HE MET 48 -5.056 1.152 -5.639 399 H ASP 49 H ASP 49 -5.444 5.158 -4.495 400 HA ASP 49 HA ASP 49 -3.649 5.545 -2.284 401 1HB ASP 49 2HB ASP 49 -6.652 5.860 -2.481 402 2HB ASP 49 1HB ASP 49 -5.681 6.343 -1.094 403 H PHE 50 H PHE 50 -4.455 4.819 -0.031 404 HA PHE 50 HA PHE 50 -4.262 2.021 0.128 405 1HB PHE 50 2HB PHE 50 -5.159 4.035 2.193 406 2HB PHE 50 1HB PHE 50 -4.887 2.330 2.541 407 HD1 PHE 50 2HD PHE 50 -3.231 5.430 1.401 408 HD2 PHE 50 1HD PHE 50 -2.730 1.501 2.947 409 HE1 PHE 50 2HE PHE 50 -0.855 5.897 1.790 410 HE2 PHE 50 1HE PHE 50 -0.346 1.960 3.341 411 HZ PHE 50 HZ PHE 50 0.595 4.161 2.761 412 H SER 51 H SER 51 -7.064 4.149 0.057 413 HA SER 51 HA SER 51 -8.977 2.208 0.894 414 1HB SER 51 2HB SER 51 -10.456 3.947 -0.562 415 2HB SER 51 1HB SER 51 -9.951 4.260 1.098 416 HG SER 51 HG SER 51 -8.803 5.211 -1.307 417 H THR 52 H THR 52 -7.858 3.352 -2.269 418 HA THR 52 HA THR 52 -9.681 1.872 -3.829 419 HB THR 52 HB THR 52 -6.915 2.552 -4.787 420 HG1 THR 52 1HG THR 52 -7.333 4.486 -4.017 421 1HG2 THR 52 1HG2 THR 52 -9.634 2.530 -6.054 422 2HG2 THR 52 2HG2 THR 52 -8.225 1.556 -6.473 423 3HG2 THR 52 3HG2 THR 52 -8.227 3.290 -6.799 424 H MET 53 H MET 53 -6.387 1.129 -2.704 425 HA MET 53 HA MET 53 -6.209 -1.364 -4.050 426 1HB MET 53 2HB MET 53 -4.268 -1.800 -2.605 427 2HB MET 53 1HB MET 53 -4.198 -0.207 -3.340 428 1HG MET 53 2HG MET 53 -5.064 0.741 -1.209 429 2HG MET 53 1HG MET 53 -4.924 -0.864 -0.495 430 1HE MET 53 1HE MET 53 -1.340 -1.694 -0.395 431 2HE MET 53 2HE MET 53 -1.608 -1.502 -2.127 432 3HE MET 53 3HE MET 53 -2.856 -2.236 -1.118 433 H LYS 54 H LYS 54 -7.215 -0.458 -0.763 434 HA LYS 54 HA LYS 54 -7.461 -3.037 0.300 435 1HB LYS 54 2HB LYS 54 -7.832 -0.534 1.282 436 2HB LYS 54 1HB LYS 54 -9.498 -1.077 1.151 437 1HG LYS 54 2HG LYS 54 -8.885 -3.086 2.478 438 2HG LYS 54 1HG LYS 54 -7.280 -2.388 2.705 439 1HD LYS 54 2HD LYS 54 -8.006 -0.906 4.238 440 2HD LYS 54 1HD LYS 54 -9.502 -0.580 3.359 441 1HE LYS 54 2HE LYS 54 -8.995 -3.077 4.971 442 2HE LYS 54 1HE LYS 54 -9.818 -1.650 5.597 443 1HZ LYS 54 1HZ LYS 54 -11.097 -3.683 4.481 444 2HZ LYS 54 2HZ LYS 54 -10.847 -2.741 3.099 445 3HZ LYS 54 3HZ LYS 54 -11.679 -2.097 4.423 446 H GLU 55 H GLU 55 -9.814 -1.047 -1.468 447 HA GLU 55 HA GLU 55 -11.990 -2.832 -1.276 448 1HB GLU 55 2HB GLU 55 -12.177 -0.452 -1.954 449 2HB GLU 55 1HB GLU 55 -11.385 -0.844 -3.474 450 1HG GLU 55 2HG GLU 55 -13.368 -2.595 -3.625 451 2HG GLU 55 1HG GLU 55 -14.143 -1.424 -2.562 452 H LYS 56 H LYS 56 -9.342 -2.531 -3.585 453 HA LYS 56 HA LYS 56 -10.268 -4.414 -5.475 454 1HB LYS 56 2HB LYS 56 -7.711 -3.044 -4.879 455 2HB LYS 56 1HB LYS 56 -7.593 -4.549 -5.782 456 1HG LYS 56 2HG LYS 56 -9.435 -3.484 -7.278 457 2HG LYS 56 1HG LYS 56 -8.878 -1.971 -6.557 458 1HD LYS 56 2HD LYS 56 -6.720 -2.218 -7.438 459 2HD LYS 56 1HD LYS 56 -6.963 -3.933 -7.777 460 1HE LYS 56 2HE LYS 56 -8.235 -3.516 -9.660 461 2HE LYS 56 1HE LYS 56 -8.678 -1.894 -9.128 462 1HZ LYS 56 1HZ LYS 56 -7.142 -1.581 -10.841 463 2HZ LYS 56 2HZ LYS 56 -6.113 -2.805 -10.291 464 3HZ LYS 56 3HZ LYS 56 -6.230 -1.352 -9.433 465 H ILE 57 H ILE 57 -8.148 -4.734 -2.627 466 HA ILE 57 HA ILE 57 -7.443 -7.419 -3.004 467 HB ILE 57 HB ILE 57 -7.851 -6.057 -0.339 468 1HG1 ILE 57 2HG1 ILE 57 -5.141 -6.359 -1.515 469 2HG1 ILE 57 1HG1 ILE 57 -6.175 -5.137 -2.245 470 1HG2 ILE 57 1HG2 ILE 57 -7.503 -8.174 0.353 471 2HG2 ILE 57 2HG2 ILE 57 -5.815 -7.796 0.010 472 3HG2 ILE 57 3HG2 ILE 57 -6.782 -8.668 -1.180 473 1HD1 ILE 57 1HD1 ILE 57 -4.700 -5.050 0.208 474 2HD1 ILE 57 2HD1 ILE 57 -6.414 -4.770 0.513 475 3HD1 ILE 57 3HD1 ILE 57 -5.547 -3.754 -0.639 476 H LYS 58 H LYS 58 -10.285 -5.978 -1.454 477 HA LYS 58 HA LYS 58 -11.378 -8.309 -0.349 478 1HB LYS 58 2HB LYS 58 -12.097 -5.663 -0.426 479 2HB LYS 58 1HB LYS 58 -13.343 -6.404 -1.421 480 1HG LYS 58 2HG LYS 58 -14.417 -7.051 0.396 481 2HG LYS 58 1HG LYS 58 -13.021 -8.008 0.894 482 1HD LYS 58 2HD LYS 58 -12.063 -5.815 1.796 483 2HD LYS 58 1HD LYS 58 -13.694 -5.166 1.603 484 1HE LYS 58 2HE LYS 58 -13.445 -7.755 3.019 485 2HE LYS 58 1HE LYS 58 -12.830 -6.331 3.859 486 1HZ LYS 58 1HZ LYS 58 -14.915 -5.370 3.934 487 2HZ LYS 58 2HZ LYS 58 -15.278 -7.005 4.172 488 3HZ LYS 58 3HZ LYS 58 -15.523 -6.298 2.655 489 H ASN 59 H ASN 59 -11.195 -7.274 -3.663 490 HA ASN 59 HA ASN 59 -13.158 -9.301 -4.483 491 1HB ASN 59 2HB ASN 59 -12.111 -6.789 -5.700 492 2HB ASN 59 1HB ASN 59 -12.614 -8.080 -6.785 493 1HD2 ASN 59 1HD2 ASN 59 -13.637 -5.584 -4.682 494 2HD2 ASN 59 2HD2 ASN 59 -15.338 -5.814 -4.874 495 H ASN 60 H ASN 60 -10.247 -9.717 -3.620 496 HA ASN 60 HA ASN 60 -8.507 -11.061 -4.173 497 1HB ASN 60 2HB ASN 60 -10.769 -12.276 -5.294 498 2HB ASN 60 1HB ASN 60 -9.554 -12.309 -6.569 499 1HD2 ASN 60 1HD2 ASN 60 -9.377 -12.609 -3.035 500 2HD2 ASN 60 2HD2 ASN 60 -8.551 -14.126 -3.039 501 H ASP 61 H ASP 61 -8.962 -8.398 -5.549 502 HA ASP 61 HA ASP 61 -7.794 -8.605 -8.143 503 1HB ASP 61 2HB ASP 61 -8.198 -6.304 -6.237 504 2HB ASP 61 1HB ASP 61 -7.416 -6.097 -7.796 505 H TYR 62 H TYR 62 -6.569 -8.268 -4.890 506 HA TYR 62 HA TYR 62 -3.832 -8.433 -5.946 507 1HB TYR 62 2HB TYR 62 -4.753 -6.858 -3.531 508 2HB TYR 62 1HB TYR 62 -3.073 -7.091 -4.004 509 HD1 TYR 62 1HD TYR 62 -2.756 -6.515 -6.683 510 HD2 TYR 62 2HD TYR 62 -5.594 -4.782 -4.026 511 HE1 TYR 62 1HE TYR 62 -2.909 -4.541 -8.136 512 HE2 TYR 62 2HE TYR 62 -5.745 -2.802 -5.469 513 HH TYR 62 HH TYR 62 -4.423 -2.707 -8.613 514 H GLN 63 H GLN 63 -3.155 -10.404 -5.532 515 HA GLN 63 HA GLN 63 -3.412 -11.474 -2.832 516 1HB GLN 63 2HB GLN 63 -4.082 -13.646 -3.616 517 2HB GLN 63 1HB GLN 63 -5.200 -12.460 -4.276 518 1HG GLN 63 2HG GLN 63 -4.032 -12.531 -6.413 519 2HG GLN 63 1HG GLN 63 -2.888 -13.700 -5.757 520 1HE2 GLN 63 1HE2 GLN 63 -3.481 -15.822 -5.562 521 2HE2 GLN 63 2HE2 GLN 63 -4.964 -16.450 -6.185 522 H SER 64 H SER 64 -1.345 -10.300 -4.787 523 HA SER 64 HA SER 64 0.686 -12.344 -4.295 524 1HB SER 64 2HB SER 64 0.152 -12.453 -6.668 525 2HB SER 64 1HB SER 64 0.373 -10.711 -6.825 526 HG SER 64 HG SER 64 2.344 -12.658 -6.215 527 H ILE 65 H ILE 65 2.540 -11.628 -3.552 528 HA ILE 65 HA ILE 65 2.762 -9.195 -2.236 529 HB ILE 65 HB ILE 65 5.264 -9.719 -2.212 530 1HG1 ILE 65 2HG1 ILE 65 4.372 -12.389 -3.290 531 2HG1 ILE 65 1HG1 ILE 65 5.098 -11.156 -4.315 532 1HG2 ILE 65 1HG2 ILE 65 3.728 -10.260 -0.390 533 2HG2 ILE 65 2HG2 ILE 65 4.978 -11.492 -0.574 534 3HG2 ILE 65 3HG2 ILE 65 3.346 -11.792 -1.175 535 1HD1 ILE 65 1HD1 ILE 65 6.324 -12.813 -2.179 536 2HD1 ILE 65 2HD1 ILE 65 6.990 -11.213 -2.513 537 3HD1 ILE 65 3HD1 ILE 65 6.920 -12.425 -3.793 538 H GLU 66 H GLU 66 3.868 -10.145 -5.459 539 HA GLU 66 HA GLU 66 5.325 -7.759 -5.986 540 1HB GLU 66 2HB GLU 66 5.058 -10.203 -7.233 541 2HB GLU 66 1HB GLU 66 4.211 -9.122 -8.330 542 1HG GLU 66 2HG GLU 66 7.020 -8.689 -7.341 543 2HG GLU 66 1HG GLU 66 6.598 -9.437 -8.881 544 H GLU 67 H GLU 67 1.998 -8.794 -6.607 545 HA GLU 67 HA GLU 67 1.260 -6.540 -8.179 546 1HB GLU 67 2HB GLU 67 -0.278 -8.639 -6.664 547 2HB GLU 67 1HB GLU 67 -1.103 -7.304 -7.459 548 1HG GLU 67 2HG GLU 67 0.481 -8.191 -9.465 549 2HG GLU 67 1HG GLU 67 0.174 -9.690 -8.590 550 H LEU 68 H LEU 68 0.777 -7.383 -4.767 551 HA LEU 68 HA LEU 68 -0.591 -5.041 -4.012 552 1HB LEU 68 2HB LEU 68 -0.255 -7.305 -2.786 553 2HB LEU 68 1HB LEU 68 1.207 -6.566 -2.162 554 HG LEU 68 HG LEU 68 -0.058 -4.846 -1.051 555 1HD1 LEU 68 1HD1 LEU 68 -1.828 -4.394 -2.559 556 2HD1 LEU 68 2HD1 LEU 68 -2.577 -4.986 -1.076 557 3HD1 LEU 68 3HD1 LEU 68 -2.419 -6.052 -2.472 558 1HD2 LEU 68 1HD2 LEU 68 -0.022 -6.456 0.508 559 2HD2 LEU 68 2HD2 LEU 68 -0.581 -7.694 -0.617 560 3HD2 LEU 68 3HD2 LEU 68 -1.742 -6.609 0.151 561 H LYS 69 H LYS 69 2.842 -5.848 -4.109 562 HA LYS 69 HA LYS 69 3.731 -3.470 -2.809 563 1HB LYS 69 2HB LYS 69 5.046 -5.599 -2.949 564 2HB LYS 69 1HB LYS 69 5.313 -5.266 -4.654 565 1HG LYS 69 2HG LYS 69 6.056 -2.953 -3.184 566 2HG LYS 69 1HG LYS 69 6.796 -4.358 -2.414 567 1HD LYS 69 2HD LYS 69 6.920 -4.085 -5.386 568 2HD LYS 69 1HD LYS 69 8.004 -3.118 -4.386 569 1HE LYS 69 2HE LYS 69 7.846 -5.966 -3.664 570 2HE LYS 69 1HE LYS 69 8.535 -5.638 -5.253 571 1HZ LYS 69 1HZ LYS 69 9.469 -4.481 -2.679 572 2HZ LYS 69 2HZ LYS 69 10.117 -4.126 -4.200 573 3HZ LYS 69 3HZ LYS 69 10.253 -5.689 -3.570 574 H ASP 70 H ASP 70 3.358 -4.438 -6.202 575 HA ASP 70 HA ASP 70 4.617 -2.250 -7.396 576 1HB ASP 70 2HB ASP 70 3.689 -4.413 -8.477 577 2HB ASP 70 1HB ASP 70 2.171 -3.528 -8.597 578 H ASN 71 H ASN 71 1.211 -2.666 -6.455 579 HA ASN 71 HA ASN 71 0.439 -0.079 -7.380 580 1HB ASN 71 2HB ASN 71 -0.956 -2.058 -5.572 581 2HB ASN 71 1HB ASN 71 -1.688 -0.561 -6.142 582 1HD2 ASN 71 1HD2 ASN 71 -2.230 -0.351 -8.318 583 2HD2 ASN 71 2HD2 ASN 71 -2.333 -1.715 -9.372 584 H PHE 72 H PHE 72 1.118 -1.409 -4.129 585 HA PHE 72 HA PHE 72 0.552 0.937 -2.691 586 1HB PHE 72 2HB PHE 72 0.841 -1.189 -1.543 587 2HB PHE 72 1HB PHE 72 2.517 -1.285 -2.072 588 HD1 PHE 72 1HD PHE 72 0.672 1.625 -0.669 589 HD2 PHE 72 2HD PHE 72 3.744 -1.268 -0.097 590 HE1 PHE 72 1HE PHE 72 1.390 2.793 1.370 591 HE2 PHE 72 2HE PHE 72 4.464 -0.100 1.946 592 HZ PHE 72 HZ PHE 72 3.285 1.932 2.681 593 H LYS 73 H LYS 73 3.574 -0.255 -4.117 594 HA LYS 73 HA LYS 73 5.229 1.864 -3.306 595 1HB LYS 73 2HB LYS 73 5.879 -0.404 -4.335 596 2HB LYS 73 1HB LYS 73 5.586 0.361 -5.891 597 1HG LYS 73 2HG LYS 73 7.485 1.558 -5.806 598 2HG LYS 73 1HG LYS 73 7.347 1.860 -4.074 599 1HD LYS 73 2HD LYS 73 8.058 -0.485 -3.663 600 2HD LYS 73 1HD LYS 73 8.309 -0.676 -5.399 601 1HE LYS 73 2HE LYS 73 10.437 -0.162 -4.649 602 2HE LYS 73 1HE LYS 73 9.827 1.411 -5.160 603 1HZ LYS 73 1HZ LYS 73 9.774 2.175 -3.054 604 2HZ LYS 73 2HZ LYS 73 10.955 0.992 -2.800 605 3HZ LYS 73 3HZ LYS 73 9.345 0.683 -2.381 606 H LEU 74 H LEU 74 3.055 1.495 -6.064 607 HA LEU 74 HA LEU 74 3.923 3.672 -7.597 608 1HB LEU 74 2HB LEU 74 1.469 2.038 -7.425 609 2HB LEU 74 1HB LEU 74 1.259 3.638 -8.118 610 HG LEU 74 HG LEU 74 3.466 1.911 -9.151 611 1HD1 LEU 74 1HD1 LEU 74 0.570 1.371 -9.425 612 2HD1 LEU 74 2HD1 LEU 74 1.946 0.270 -9.493 613 3HD1 LEU 74 3HD1 LEU 74 1.547 1.268 -10.890 614 1HD2 LEU 74 1HD2 LEU 74 3.368 3.257 -10.994 615 2HD2 LEU 74 2HD2 LEU 74 2.812 4.390 -9.762 616 3HD2 LEU 74 3HD2 LEU 74 1.645 3.580 -10.807 617 H MET 75 H MET 75 1.488 3.528 -4.983 618 HA MET 75 HA MET 75 0.727 6.248 -5.200 619 1HB MET 75 2HB MET 75 -0.431 4.293 -3.927 620 2HB MET 75 1HB MET 75 0.609 4.774 -2.595 621 1HG MET 75 2HG MET 75 -1.136 6.764 -4.006 622 2HG MET 75 1HG MET 75 -1.756 5.748 -2.704 623 1HE MET 75 1HE MET 75 0.338 6.763 0.338 624 2HE MET 75 2HE MET 75 1.324 5.884 -0.829 625 3HE MET 75 3HE MET 75 -0.350 5.406 -0.554 626 H CYS 76 H CYS 76 3.094 4.615 -3.092 627 HA CYS 76 HA CYS 76 3.851 6.933 -1.679 628 1HB CYS 76 2HB CYS 76 5.503 5.640 -0.698 629 2HB CYS 76 1HB CYS 76 4.325 4.424 -1.168 630 HG CYS 76 HG CYS 76 5.922 3.908 -3.243 631 H THR 77 H THR 77 5.103 5.439 -4.645 632 HA THR 77 HA THR 77 7.267 7.281 -4.948 633 HB THR 77 HB THR 77 5.959 5.495 -7.013 634 HG1 THR 77 1HG THR 77 7.071 3.950 -6.156 635 1HG2 THR 77 1HG2 THR 77 7.944 5.683 -8.305 636 2HG2 THR 77 2HG2 THR 77 8.732 6.649 -7.058 637 3HG2 THR 77 3HG2 THR 77 7.372 7.315 -7.961 638 H ASN 78 H ASN 78 3.967 7.097 -6.238 639 HA ASN 78 HA ASN 78 4.215 9.324 -7.988 640 1HB ASN 78 2HB ASN 78 1.810 7.928 -6.797 641 2HB ASN 78 1HB ASN 78 1.689 9.236 -7.959 642 1HD2 ASN 78 1HD2 ASN 78 0.475 7.433 -9.081 643 2HD2 ASN 78 2HD2 ASN 78 1.386 6.392 -10.104 644 H ALA 79 H ALA 79 3.178 8.907 -4.641 645 HA ALA 79 HA ALA 79 2.252 11.592 -4.307 646 1HB ALA 79 1HB ALA 79 2.933 9.440 -2.309 647 2HB ALA 79 2HB ALA 79 1.332 9.893 -2.897 648 3HB ALA 79 3HB ALA 79 2.249 11.008 -1.882 649 H MET 80 H MET 80 5.265 9.870 -3.485 650 HA MET 80 HA MET 80 6.468 12.057 -2.143 651 1HB MET 80 2HB MET 80 8.537 10.815 -2.268 652 2HB MET 80 1HB MET 80 7.221 9.724 -1.863 653 1HG MET 80 2HG MET 80 8.234 8.450 -3.419 654 2HG MET 80 1HG MET 80 7.214 9.394 -4.499 655 1HE MET 80 1HE MET 80 10.632 7.974 -5.079 656 2HE MET 80 2HE MET 80 10.367 8.247 -3.355 657 3HE MET 80 3HE MET 80 11.646 9.118 -4.202 658 H ILE 81 H ILE 81 6.398 11.081 -5.538 659 HA ILE 81 HA ILE 81 8.414 12.911 -6.378 660 HB ILE 81 HB ILE 81 7.789 10.922 -7.715 661 1HG1 ILE 81 2HG1 ILE 81 7.714 12.146 -9.944 662 2HG1 ILE 81 1HG1 ILE 81 7.611 13.640 -9.018 663 1HG2 ILE 81 1HG2 ILE 81 5.256 12.468 -8.217 664 2HG2 ILE 81 2HG2 ILE 81 5.422 10.871 -7.494 665 3HG2 ILE 81 3HG2 ILE 81 5.788 11.106 -9.201 666 1HD1 ILE 81 1HD1 ILE 81 9.779 12.152 -7.986 667 2HD1 ILE 81 2HD1 ILE 81 9.812 13.676 -8.871 668 3HD1 ILE 81 3HD1 ILE 81 9.909 12.146 -9.745 669 H TYR 82 H TYR 82 4.872 13.092 -6.141 670 HA TYR 82 HA TYR 82 4.972 15.855 -7.118 671 1HB TYR 82 2HB TYR 82 3.234 14.101 -7.920 672 2HB TYR 82 1HB TYR 82 2.433 14.417 -6.384 673 HD1 TYR 82 1HD TYR 82 4.180 16.779 -8.688 674 HD2 TYR 82 2HD TYR 82 0.489 15.587 -6.933 675 HE1 TYR 82 1HE TYR 82 3.083 18.748 -9.667 676 HE2 TYR 82 2HE TYR 82 -0.616 17.549 -7.913 677 HH TYR 82 HH TYR 82 0.609 19.333 -10.354 678 H ASN 83 H ASN 83 6.037 15.104 -4.498 679 HA ASN 83 HA ASN 83 4.763 17.161 -2.966 680 1HB ASN 83 2HB ASN 83 3.527 14.830 -2.586 681 2HB ASN 83 1HB ASN 83 4.875 14.572 -1.483 682 1HD2 ASN 83 1HD2 ASN 83 5.317 16.722 -0.150 683 2HD2 ASN 83 2HD2 ASN 83 3.906 17.358 0.620 684 H LYS 84 H LYS 84 6.812 18.090 -3.087 685 HA LYS 84 HA LYS 84 9.212 16.813 -2.332 686 1HB LYS 84 2HB LYS 84 8.345 19.658 -2.682 687 2HB LYS 84 1HB LYS 84 9.888 19.332 -1.907 688 1HG LYS 84 2HG LYS 84 9.662 17.771 -4.297 689 2HG LYS 84 1HG LYS 84 9.327 19.468 -4.649 690 1HD LYS 84 2HD LYS 84 11.425 20.109 -3.567 691 2HD LYS 84 1HD LYS 84 11.758 18.415 -3.201 692 1HE LYS 84 2HE LYS 84 11.307 18.313 -5.883 693 2HE LYS 84 1HE LYS 84 12.050 19.903 -5.715 694 1HZ LYS 84 1HZ LYS 84 13.905 18.849 -4.547 695 2HZ LYS 84 2HZ LYS 84 13.720 18.226 -6.109 696 3HZ LYS 84 3HZ LYS 84 13.198 17.328 -4.774 697 HA PRO 85 HA PRO 85 9.280 16.840 2.078 698 1HB PRO 85 2HB PRO 85 11.640 18.102 2.706 699 2HB PRO 85 1HB PRO 85 11.526 16.427 2.158 700 1HG PRO 85 2HG PRO 85 12.191 18.892 0.601 701 2HG PRO 85 1HG PRO 85 12.935 17.284 0.521 702 1HD PRO 85 2HD PRO 85 11.165 18.110 -1.319 703 2HD PRO 85 1HD PRO 85 11.218 16.420 -0.776 704 H GLU 86 H GLU 86 7.453 18.421 1.878 705 HA GLU 86 HA GLU 86 7.993 21.198 2.393 706 1HB GLU 86 2HB GLU 86 6.037 20.361 1.074 707 2HB GLU 86 1HB GLU 86 5.363 19.715 2.562 708 1HG GLU 86 2HG GLU 86 4.658 21.720 3.269 709 2HG GLU 86 1HG GLU 86 6.091 22.555 2.672 710 H THR 87 H THR 87 6.192 18.727 4.252 711 HA THR 87 HA THR 87 7.333 19.816 6.714 712 HB THR 87 HB THR 87 5.077 19.795 7.790 713 HG1 THR 87 1HG THR 87 4.237 19.315 5.126 714 1HG2 THR 87 1HG2 THR 87 4.624 21.927 7.268 715 2HG2 THR 87 2HG2 THR 87 4.641 21.622 5.531 716 3HG2 THR 87 3HG2 THR 87 6.160 21.819 6.406 717 H ILE 88 H ILE 88 4.592 17.613 6.409 718 HA ILE 88 HA ILE 88 6.314 15.416 7.353 719 HB ILE 88 HB ILE 88 3.410 15.782 8.097 720 1HG1 ILE 88 2HG1 ILE 88 5.387 16.090 10.236 721 2HG1 ILE 88 1HG1 ILE 88 5.499 17.351 9.016 722 1HG2 ILE 88 1HG2 ILE 88 5.556 13.846 8.881 723 2HG2 ILE 88 2HG2 ILE 88 3.919 13.521 8.314 724 3HG2 ILE 88 3HG2 ILE 88 4.180 14.156 9.938 725 1HD1 ILE 88 1HD1 ILE 88 3.737 17.211 11.172 726 2HD1 ILE 88 2HD1 ILE 88 2.757 16.915 9.736 727 3HD1 ILE 88 3HD1 ILE 88 3.733 18.380 9.852 728 H TYR 89 H TYR 89 4.407 16.455 4.803 729 HA TYR 89 HA TYR 89 2.920 14.198 4.090 730 1HB TYR 89 2HB TYR 89 4.175 16.398 2.460 731 2HB TYR 89 1HB TYR 89 3.261 15.098 1.704 732 HD1 TYR 89 2HD TYR 89 0.838 14.818 2.283 733 HD2 TYR 89 1HD TYR 89 3.082 18.219 3.508 734 HE1 TYR 89 2HE TYR 89 -1.252 16.049 2.679 735 HE2 TYR 89 1HE TYR 89 0.998 19.459 3.906 736 HH TYR 89 HH TYR 89 -1.562 18.635 4.477 737 H TYR 90 H TYR 90 6.253 15.114 3.230 738 HA TYR 90 HA TYR 90 6.790 12.847 1.627 739 1HB TYR 90 2HB TYR 90 8.126 15.036 1.770 740 2HB TYR 90 1HB TYR 90 8.886 14.339 3.197 741 HD1 TYR 90 1HD TYR 90 9.999 12.012 2.892 742 HD2 TYR 90 2HD TYR 90 9.009 14.597 -0.340 743 HE1 TYR 90 1HE TYR 90 11.606 10.828 1.462 744 HE2 TYR 90 2HE TYR 90 10.616 13.418 -1.782 745 HH TYR 90 HH TYR 90 12.990 11.470 -0.683 746 H LYS 91 H LYS 91 7.463 13.527 5.051 747 HA LYS 91 HA LYS 91 8.757 11.100 5.633 748 1HB LYS 91 2HB LYS 91 7.151 12.870 7.485 749 2HB LYS 91 1HB LYS 91 8.272 11.615 7.988 750 1HG LYS 91 2HG LYS 91 9.663 13.343 6.226 751 2HG LYS 91 1HG LYS 91 8.800 14.341 7.398 752 1HD LYS 91 2HD LYS 91 10.140 12.003 8.552 753 2HD LYS 91 1HD LYS 91 11.232 13.178 7.818 754 1HE LYS 91 2HE LYS 91 10.286 14.948 9.178 755 2HE LYS 91 1HE LYS 91 9.109 13.826 9.861 756 1HZ LYS 91 1HZ LYS 91 10.637 12.911 11.225 757 2HZ LYS 91 2HZ LYS 91 11.396 14.411 11.050 758 3HZ LYS 91 3HZ LYS 91 11.916 13.092 10.131 759 H ALA 92 H ALA 92 5.340 11.999 5.613 760 HA ALA 92 HA ALA 92 4.309 9.734 6.917 761 1HB ALA 92 1HB ALA 92 2.262 10.349 5.328 762 2HB ALA 92 2HB ALA 92 3.202 11.826 5.129 763 3HB ALA 92 3HB ALA 92 2.688 11.319 6.738 764 H ALA 93 H ALA 93 4.842 10.369 3.449 765 HA ALA 93 HA ALA 93 3.839 7.894 2.524 766 1HB ALA 93 1HB ALA 93 4.147 9.893 1.095 767 2HB ALA 93 2HB ALA 93 4.869 8.437 0.413 768 3HB ALA 93 3HB ALA 93 5.893 9.650 1.181 769 H LYS 94 H LYS 94 7.100 8.947 3.436 770 HA LYS 94 HA LYS 94 8.446 6.592 2.631 771 1HB LYS 94 2HB LYS 94 9.123 9.065 3.896 772 2HB LYS 94 1HB LYS 94 9.810 7.753 4.843 773 1HG LYS 94 2HG LYS 94 10.227 8.200 1.895 774 2HG LYS 94 1HG LYS 94 11.380 8.572 3.177 775 1HD LYS 94 2HD LYS 94 11.987 6.410 3.440 776 2HD LYS 94 1HD LYS 94 10.353 5.808 3.148 777 1HE LYS 94 2HE LYS 94 10.701 6.369 0.718 778 2HE LYS 94 1HE LYS 94 12.390 6.679 1.105 779 1HZ LYS 94 1HZ LYS 94 11.685 4.363 0.250 780 2HZ LYS 94 2HZ LYS 94 11.170 4.100 1.840 781 3HZ LYS 94 3HZ LYS 94 12.792 4.465 1.527 782 H LYS 95 H LYS 95 7.006 7.584 5.719 783 HA LYS 95 HA LYS 95 7.914 5.440 7.283 784 1HB LYS 95 2HB LYS 95 6.388 7.680 7.733 785 2HB LYS 95 1HB LYS 95 5.216 6.388 7.942 786 1HG LYS 95 2HG LYS 95 5.952 6.279 10.036 787 2HG LYS 95 1HG LYS 95 7.370 5.470 9.367 788 1HD LYS 95 2HD LYS 95 8.707 7.263 9.690 789 2HD LYS 95 1HD LYS 95 7.435 8.415 9.277 790 1HE LYS 95 2HE LYS 95 6.404 8.004 11.491 791 2HE LYS 95 1HE LYS 95 7.759 6.950 11.894 792 1HZ LYS 95 1HZ LYS 95 8.238 9.045 12.822 793 2HZ LYS 95 2HZ LYS 95 7.816 9.872 11.409 794 3HZ LYS 95 3HZ LYS 95 9.219 8.929 11.448 795 H LEU 96 H LEU 96 5.013 5.781 5.276 796 HA LEU 96 HA LEU 96 3.809 3.331 6.001 797 1HB LEU 96 2HB LEU 96 3.441 5.363 3.893 798 2HB LEU 96 1HB LEU 96 2.889 3.755 3.476 799 HG LEU 96 HG LEU 96 1.117 5.228 4.417 800 1HD1 LEU 96 1HD1 LEU 96 1.383 3.078 6.419 801 2HD1 LEU 96 2HD1 LEU 96 1.438 2.590 4.724 802 3HD1 LEU 96 3HD1 LEU 96 0.043 3.474 5.344 803 1HD2 LEU 96 1HD2 LEU 96 1.095 5.799 6.736 804 2HD2 LEU 96 2HD2 LEU 96 2.611 6.381 6.048 805 3HD2 LEU 96 3HD2 LEU 96 2.592 4.912 7.024 806 H LEU 97 H LEU 97 6.067 4.196 3.398 807 HA LEU 97 HA LEU 97 6.028 1.772 1.997 808 1HB LEU 97 2HB LEU 97 7.207 4.093 1.527 809 2HB LEU 97 1HB LEU 97 8.579 3.298 2.269 810 HG LEU 97 HG LEU 97 7.110 2.369 -0.203 811 1HD1 LEU 97 1HD1 LEU 97 8.407 4.114 -0.946 812 2HD1 LEU 97 2HD1 LEU 97 9.535 2.768 -1.095 813 3HD1 LEU 97 3HD1 LEU 97 9.644 3.862 0.283 814 1HD2 LEU 97 1HD2 LEU 97 9.240 0.847 -0.257 815 2HD2 LEU 97 2HD2 LEU 97 7.830 0.372 0.687 816 3HD2 LEU 97 3HD2 LEU 97 9.221 1.103 1.487 817 H HIS 98 H HIS 98 8.111 2.815 4.691 818 HA HIS 98 HA HIS 98 9.678 0.462 4.786 819 1HB HIS 98 2HB HIS 98 9.109 2.633 6.797 820 2HB HIS 98 1HB HIS 98 10.132 1.255 7.189 821 HD1 HIS 98 1HD HIS 98 12.320 2.500 7.367 822 HD2 HIS 98 2HD HIS 98 10.376 3.152 3.753 823 HE1 HIS 98 1HE HIS 98 13.977 3.724 5.924 824 HE2 HIS 98 2HE HIS 98 12.815 4.017 3.711 825 H SER 99 H SER 99 6.763 1.450 6.561 826 HA SER 99 HA SER 99 6.623 -0.836 8.217 827 1HB SER 99 2HB SER 99 4.710 1.328 7.432 828 2HB SER 99 1HB SER 99 4.075 -0.113 8.227 829 HG SER 99 HG SER 99 5.412 0.295 9.975 830 H GLY 100 H GLY 100 5.237 -0.086 5.037 831 1HA GLY 100 2HA GLY 100 3.584 -2.341 4.794 832 2HA GLY 100 1HA GLY 100 4.257 -1.425 3.454 833 H MET 101 H MET 101 6.938 -1.852 3.693 834 HA MET 101 HA MET 101 7.294 -4.366 2.518 835 1HB MET 101 2HB MET 101 9.095 -2.246 3.559 836 2HB MET 101 1HB MET 101 9.798 -3.840 3.318 837 1HG MET 101 2HG MET 101 8.778 -3.724 0.973 838 2HG MET 101 1HG MET 101 8.578 -2.002 1.294 839 1HE MET 101 1HE MET 101 10.534 -0.972 2.763 840 2HE MET 101 2HE MET 101 12.059 -0.721 1.914 841 3HE MET 101 3HE MET 101 11.919 -2.007 3.110 842 H LYS 102 H LYS 102 7.801 -3.302 5.867 843 HA LYS 102 HA LYS 102 8.998 -5.633 6.839 844 1HB LYS 102 2HB LYS 102 8.290 -3.184 7.873 845 2HB LYS 102 1HB LYS 102 7.207 -4.278 8.720 846 1HG LYS 102 2HG LYS 102 9.909 -5.296 8.637 847 2HG LYS 102 1HG LYS 102 9.820 -3.695 9.370 848 1HD LYS 102 2HD LYS 102 8.796 -4.478 11.203 849 2HD LYS 102 1HD LYS 102 7.685 -5.468 10.253 850 1HE LYS 102 2HE LYS 102 10.535 -6.314 10.522 851 2HE LYS 102 1HE LYS 102 9.427 -6.582 11.866 852 1HZ LYS 102 1HZ LYS 102 9.212 -7.647 9.105 853 2HZ LYS 102 2HZ LYS 102 7.944 -7.725 10.222 854 3HZ LYS 102 3HZ LYS 102 9.399 -8.523 10.542 855 H ILE 103 H ILE 103 5.578 -4.664 6.757 856 HA ILE 103 HA ILE 103 4.630 -7.080 7.946 857 HB ILE 103 HB ILE 103 3.025 -5.156 6.266 858 1HG1 ILE 103 2HG1 ILE 103 3.194 -5.046 9.266 859 2HG1 ILE 103 1HG1 ILE 103 4.381 -4.198 8.283 860 1HG2 ILE 103 1HG2 ILE 103 2.336 -7.281 8.270 861 2HG2 ILE 103 2HG2 ILE 103 1.754 -7.088 6.617 862 3HG2 ILE 103 3HG2 ILE 103 1.215 -5.977 7.877 863 1HD1 ILE 103 1HD1 ILE 103 2.949 -2.500 8.352 864 2HD1 ILE 103 2HD1 ILE 103 1.613 -3.527 8.873 865 3HD1 ILE 103 3HD1 ILE 103 2.017 -3.405 7.160 866 H LEU 104 H LEU 104 5.109 -5.982 4.627 867 HA LEU 104 HA LEU 104 3.679 -7.988 3.293 868 1HB LEU 104 2HB LEU 104 5.569 -5.933 2.603 869 2HB LEU 104 1HB LEU 104 5.952 -7.408 1.737 870 HG LEU 104 HG LEU 104 3.116 -6.869 1.604 871 1HD1 LEU 104 1HD1 LEU 104 2.965 -4.771 0.784 872 2HD1 LEU 104 2HD1 LEU 104 4.579 -4.809 0.076 873 3HD1 LEU 104 3HD1 LEU 104 4.382 -4.520 1.803 874 1HD2 LEU 104 1HD2 LEU 104 3.378 -7.634 -0.504 875 2HD2 LEU 104 2HD2 LEU 104 4.936 -8.181 0.117 876 3HD2 LEU 104 3HD2 LEU 104 4.829 -6.672 -0.791 877 H SER 105 H SER 105 6.840 -8.030 4.799 878 HA SER 105 HA SER 105 7.889 -10.337 3.573 879 1HB SER 105 2HB SER 105 8.901 -8.539 5.306 880 2HB SER 105 1HB SER 105 8.560 -9.858 6.425 881 HG SER 105 HG SER 105 10.621 -9.631 4.820 882 H GLN 106 H GLN 106 5.419 -9.948 5.974 883 HA GLN 106 HA GLN 106 5.593 -12.723 6.841 884 1HB GLN 106 2HB GLN 106 3.600 -10.598 7.643 885 2HB GLN 106 1HB GLN 106 3.859 -12.147 8.434 886 1HG GLN 106 2HG GLN 106 5.784 -11.462 9.459 887 2HG GLN 106 1HG GLN 106 6.161 -10.279 8.206 888 1HE2 GLN 106 1HE2 GLN 106 3.284 -10.792 10.224 889 2HE2 GLN 106 2HE2 GLN 106 3.261 -9.200 10.891 890 H GLU 107 H GLU 107 4.680 -11.745 4.042 891 HA GLU 107 HA GLU 107 1.932 -12.662 3.952 892 1HB GLU 107 2HB GLU 107 3.850 -11.543 1.932 893 2HB GLU 107 1HB GLU 107 2.387 -12.362 1.398 894 1HG GLU 107 2HG GLU 107 1.946 -10.351 3.477 895 2HG GLU 107 1HG GLU 107 2.591 -9.712 1.966 896 H ARG 108 H ARG 108 5.141 -13.868 3.088 897 HA ARG 108 HA ARG 108 4.165 -16.570 3.063 898 1HB ARG 108 2HB ARG 108 3.778 -15.490 0.703 899 2HB ARG 108 1HB ARG 108 5.508 -15.745 0.516 900 1HG ARG 108 2HG ARG 108 4.610 -17.650 -0.418 901 2HG ARG 108 1HG ARG 108 4.987 -18.176 1.223 902 1HD ARG 108 2HD ARG 108 2.712 -17.980 1.893 903 2HD ARG 108 1HD ARG 108 2.277 -17.152 0.399 904 HE ARG 108 HE ARG 108 3.209 -19.550 -0.456 905 1HH1 ARG 108 1HH1 ARG 108 0.762 -18.619 1.874 906 2HH1 ARG 108 2HH1 ARG 108 -0.193 -20.041 1.624 907 1HH2 ARG 108 1HH2 ARG 108 1.939 -21.420 -0.786 908 2HH2 ARG 108 2HH2 ARG 108 0.475 -21.630 0.115 909 H LEU 109 H LEU 109 5.676 -17.615 4.190 910 HA LEU 109 HA LEU 109 8.452 -17.474 3.421 911 1HB LEU 109 2HB LEU 109 7.766 -15.599 5.200 912 2HB LEU 109 1HB LEU 109 8.020 -16.931 6.312 913 HG LEU 109 HG LEU 109 10.009 -15.488 6.055 914 1HD1 LEU 109 1HD1 LEU 109 11.438 -17.216 6.306 915 2HD1 LEU 109 2HD1 LEU 109 10.882 -18.040 4.849 916 3HD1 LEU 109 3HD1 LEU 109 9.941 -18.145 6.338 917 1HD2 LEU 109 1HD2 LEU 109 11.020 -15.028 4.087 918 2HD2 LEU 109 2HD2 LEU 109 9.402 -15.314 3.449 919 3HD2 LEU 109 3HD2 LEU 109 10.615 -16.593 3.381 920 H GLU 110 H GLU 110 8.477 -19.649 3.073 921 HA GLU 110 HA GLU 110 8.229 -21.349 5.454 922 1HB GLU 110 2HB GLU 110 6.350 -21.337 3.424 923 2HB GLU 110 1HB GLU 110 7.397 -22.675 2.983 924 1HG GLU 110 2HG GLU 110 5.888 -23.766 4.283 925 2HG GLU 110 1HG GLU 110 7.080 -23.332 5.507 926 H HIS 111 H HIS 111 10.189 -22.182 5.787 927 HA HIS 111 HA HIS 111 12.207 -23.174 5.475 928 1HB HIS 111 2HB HIS 111 10.571 -24.222 3.239 929 2HB HIS 111 1HB HIS 111 12.312 -24.410 3.076 930 HD1 HIS 111 1HD HIS 111 9.446 -25.423 5.304 931 HD2 HIS 111 2HD HIS 111 13.437 -26.378 4.647 932 HE1 HIS 111 1HE HIS 111 9.870 -27.505 6.651 933 HE2 HIS 111 2HE HIS 111 12.311 -28.020 6.297 934 H HIS 112 H HIS 112 13.471 -21.333 5.398 935 HA HIS 112 HA HIS 112 13.909 -20.018 2.834 936 1HB HIS 112 2HB HIS 112 13.615 -18.697 4.943 937 2HB HIS 112 1HB HIS 112 15.130 -19.374 5.527 938 HD1 HIS 112 1HD HIS 112 15.162 -18.537 1.943 939 HD2 HIS 112 2HD HIS 112 16.026 -16.633 5.534 940 HE1 HIS 112 1HE HIS 112 16.494 -16.501 1.319 941 HE2 HIS 112 2HE HIS 112 17.035 -15.381 3.509 942 H HIS 113 H HIS 113 15.458 -20.655 1.495 943 HA HIS 113 HA HIS 113 17.406 -21.465 0.653 944 1HB HIS 113 2HB HIS 113 18.149 -20.212 3.096 945 2HB HIS 113 1HB HIS 113 19.053 -21.716 2.985 946 HD1 HIS 113 1HD HIS 113 19.594 -21.754 -0.056 947 HD2 HIS 113 2HD HIS 113 20.052 -18.407 2.366 948 HE1 HIS 113 1HE HIS 113 21.217 -20.268 -1.265 949 HE2 HIS 113 2HE HIS 113 21.555 -18.295 0.265 950 H HIS 114 H HIS 114 19.260 -23.258 1.402 951 HA HIS 114 HA HIS 114 17.820 -25.708 1.446 952 1HB HIS 114 2HB HIS 114 20.753 -25.029 1.573 953 2HB HIS 114 1HB HIS 114 20.189 -26.689 1.715 954 HD1 HIS 114 1HD HIS 114 18.395 -27.258 -0.438 955 HD2 HIS 114 2HD HIS 114 21.432 -24.471 -0.968 956 HE1 HIS 114 1HE HIS 114 18.734 -27.097 -2.925 957 HE2 HIS 114 2HE HIS 114 20.537 -25.363 -3.225 958 H HIS 115 H HIS 115 18.601 -27.519 3.010 959 HA HIS 115 HA HIS 115 18.771 -26.464 5.749 960 1HB HIS 115 2HB HIS 115 17.178 -28.227 6.480 961 2HB HIS 115 1HB HIS 115 16.450 -27.048 5.396 962 HD1 HIS 115 1HD HIS 115 16.181 -27.894 2.835 963 HD2 HIS 115 2HD HIS 115 16.903 -30.820 5.694 964 HE1 HIS 115 1HE HIS 115 15.527 -30.067 1.753 965 HE2 HIS 115 2HE HIS 115 16.111 -31.833 3.451 966 H HIS 116 H HIS 116 20.403 -27.305 6.864 967 HA HIS 116 HA HIS 116 21.846 -29.585 5.794 968 1HB HIS 116 2HB HIS 116 22.888 -27.413 6.749 969 2HB HIS 116 1HB HIS 116 22.560 -28.123 8.325 970 HD1 HIS 116 1HD HIS 116 23.396 -31.018 7.843 971 HD2 HIS 116 2HD HIS 116 25.570 -27.740 6.498 972 HE1 HIS 116 1HE HIS 116 25.748 -31.850 7.540 973 HE2 HIS 116 2HE HIS 116 27.063 -29.829 6.810 Start of MODEL 17 1 1H MET 0 1HT MET 0 -6.488 -24.574 -13.115 2 2H MET 0 2HT MET 0 -7.758 -23.905 -12.173 3 3H MET 0 3HT MET 0 -7.205 -25.501 -11.865 4 HA MET 0 HA MET 0 -4.999 -24.520 -11.375 5 1HB MET 0 2HB MET 0 -5.991 -22.308 -12.503 6 2HB MET 0 1HB MET 0 -6.443 -21.967 -10.838 7 1HG MET 0 2HG MET 0 -4.401 -21.243 -10.429 8 2HG MET 0 1HG MET 0 -3.749 -22.831 -10.828 9 1HE MET 0 1HE MET 0 -2.661 -20.003 -10.872 10 2HE MET 0 2HE MET 0 -3.324 -18.994 -12.157 11 3HE MET 0 3HE MET 0 -1.757 -19.774 -12.371 12 H GLU 1 H GLU 1 -4.662 -23.503 -9.074 13 HA GLU 1 HA GLU 1 -6.444 -24.954 -7.305 14 1HB GLU 1 2HB GLU 1 -3.785 -24.703 -7.257 15 2HB GLU 1 1HB GLU 1 -4.189 -23.329 -6.238 16 1HG GLU 1 2HG GLU 1 -4.400 -24.694 -4.519 17 2HG GLU 1 1HG GLU 1 -5.749 -25.485 -5.331 18 H GLU 2 H GLU 2 -8.219 -23.386 -7.905 19 HA GLU 2 HA GLU 2 -8.043 -20.849 -6.463 20 1HB GLU 2 2HB GLU 2 -9.717 -21.897 -8.673 21 2HB GLU 2 1HB GLU 2 -10.491 -20.760 -7.576 22 1HG GLU 2 2HG GLU 2 -9.314 -19.015 -8.345 23 2HG GLU 2 1HG GLU 2 -7.831 -19.953 -8.512 24 H VAL 3 H VAL 3 -8.086 -21.797 -4.365 25 HA VAL 3 HA VAL 3 -10.663 -21.886 -3.214 26 HB VAL 3 HB VAL 3 -10.745 -24.129 -4.198 27 1HG1 VAL 3 1HG1 VAL 3 -8.372 -24.785 -2.455 28 2HG1 VAL 3 2HG1 VAL 3 -8.310 -24.560 -4.203 29 3HG1 VAL 3 3HG1 VAL 3 -9.245 -25.889 -3.518 30 1HG2 VAL 3 1HG2 VAL 3 -10.416 -24.789 -1.342 31 2HG2 VAL 3 2HG2 VAL 3 -11.802 -25.012 -2.410 32 3HG2 VAL 3 3HG2 VAL 3 -11.479 -23.428 -1.705 33 H GLU 4 H GLU 4 -7.266 -22.880 -2.844 34 HA GLU 4 HA GLU 4 -7.392 -22.283 0.013 35 1HB GLU 4 2HB GLU 4 -5.307 -23.602 -1.717 36 2HB GLU 4 1HB GLU 4 -4.991 -23.146 -0.050 37 1HG GLU 4 2HG GLU 4 -7.356 -24.844 -0.702 38 2HG GLU 4 1HG GLU 4 -5.747 -25.560 -0.618 39 H GLN 5 H GLN 5 -7.632 -20.095 -1.839 40 HA GLN 5 HA GLN 5 -5.077 -18.691 -1.458 41 1HB GLN 5 2HB GLN 5 -7.310 -18.354 -3.434 42 2HB GLN 5 1HB GLN 5 -6.220 -17.020 -3.092 43 1HG GLN 5 2HG GLN 5 -4.346 -18.217 -3.886 44 2HG GLN 5 1HG GLN 5 -5.249 -19.730 -3.935 45 1HE2 GLN 5 1HE2 GLN 5 -7.409 -19.356 -5.285 46 2HE2 GLN 5 2HE2 GLN 5 -7.128 -18.701 -6.859 47 H THR 6 H THR 6 -8.286 -18.859 -0.303 48 HA THR 6 HA THR 6 -8.908 -16.248 0.345 49 HB THR 6 HB THR 6 -9.644 -17.956 2.540 50 HG1 THR 6 1HG THR 6 -10.405 -19.041 0.046 51 1HG2 THR 6 1HG2 THR 6 -11.683 -17.517 0.523 52 2HG2 THR 6 2HG2 THR 6 -10.850 -16.037 0.997 53 3HG2 THR 6 3HG2 THR 6 -11.635 -17.038 2.219 54 HA PRO 7 HA PRO 7 -6.488 -17.043 4.623 55 1HB PRO 7 2HB PRO 7 -4.328 -18.674 3.364 56 2HB PRO 7 1HB PRO 7 -5.003 -18.765 4.995 57 1HG PRO 7 2HG PRO 7 -5.664 -20.575 3.170 58 2HG PRO 7 1HG PRO 7 -6.877 -19.945 4.298 59 1HD PRO 7 2HD PRO 7 -6.460 -19.312 1.411 60 2HD PRO 7 1HD PRO 7 -7.973 -19.446 2.332 61 H LEU 8 H LEU 8 -4.841 -16.953 1.471 62 HA LEU 8 HA LEU 8 -2.717 -15.260 2.219 63 1HB LEU 8 2HB LEU 8 -3.743 -16.423 -0.198 64 2HB LEU 8 1HB LEU 8 -3.383 -14.732 -0.484 65 HG LEU 8 HG LEU 8 -1.103 -15.418 0.736 66 1HD1 LEU 8 1HD1 LEU 8 -1.220 -17.644 1.158 67 2HD1 LEU 8 2HD1 LEU 8 -0.608 -17.722 -0.493 68 3HD1 LEU 8 3HD1 LEU 8 -2.327 -17.957 -0.178 69 1HD2 LEU 8 1HD2 LEU 8 -0.766 -14.443 -1.285 70 2HD2 LEU 8 2HD2 LEU 8 -1.985 -15.427 -2.092 71 3HD2 LEU 8 3HD2 LEU 8 -0.397 -16.106 -1.742 72 H GLN 9 H GLN 9 -5.937 -14.569 0.896 73 HA GLN 9 HA GLN 9 -5.667 -11.796 0.576 74 1HB GLN 9 2HB GLN 9 -7.572 -13.432 -0.148 75 2HB GLN 9 1HB GLN 9 -8.263 -13.040 1.420 76 1HG GLN 9 2HG GLN 9 -7.920 -10.579 0.657 77 2HG GLN 9 1HG GLN 9 -7.847 -11.288 -0.956 78 1HE2 GLN 9 1HE2 GLN 9 -9.731 -10.832 -1.886 79 2HE2 GLN 9 2HE2 GLN 9 -11.289 -11.129 -1.199 80 H GLU 10 H GLU 10 -6.666 -13.719 3.381 81 HA GLU 10 HA GLU 10 -7.476 -11.610 5.040 82 1HB GLU 10 2HB GLU 10 -7.745 -14.148 5.371 83 2HB GLU 10 1HB GLU 10 -6.129 -14.103 6.062 84 1HG GLU 10 2HG GLU 10 -6.810 -13.045 7.947 85 2HG GLU 10 1HG GLU 10 -8.096 -12.166 7.122 86 H ALA 11 H ALA 11 -4.295 -13.160 4.673 87 HA ALA 11 HA ALA 11 -2.954 -11.647 6.635 88 1HB ALA 11 1HB ALA 11 -2.084 -13.293 4.302 89 2HB ALA 11 2HB ALA 11 -1.767 -13.519 6.021 90 3HB ALA 11 3HB ALA 11 -0.905 -12.271 5.125 91 H LEU 12 H LEU 12 -3.420 -11.129 3.154 92 HA LEU 12 HA LEU 12 -1.777 -8.838 2.944 93 1HB LEU 12 2HB LEU 12 -4.161 -9.643 1.269 94 2HB LEU 12 1HB LEU 12 -3.005 -8.397 0.845 95 HG LEU 12 HG LEU 12 -2.089 -11.214 1.324 96 1HD1 LEU 12 1HD1 LEU 12 -2.743 -11.973 -0.693 97 2HD1 LEU 12 2HD1 LEU 12 -2.597 -10.392 -1.462 98 3HD1 LEU 12 3HD1 LEU 12 -4.021 -10.775 -0.493 99 1HD2 LEU 12 1HD2 LEU 12 -0.150 -10.574 0.305 100 2HD2 LEU 12 2HD2 LEU 12 -0.634 -9.032 1.010 101 3HD2 LEU 12 3HD2 LEU 12 -0.943 -9.357 -0.695 102 H ASN 13 H ASN 13 -5.258 -9.230 3.531 103 HA ASN 13 HA ASN 13 -5.948 -6.511 3.534 104 1HB ASN 13 2HB ASN 13 -7.195 -8.849 4.994 105 2HB ASN 13 1HB ASN 13 -7.911 -7.244 4.924 106 1HD2 ASN 13 1HD2 ASN 13 -8.744 -9.929 3.878 107 2HD2 ASN 13 2HD2 ASN 13 -9.098 -9.651 2.211 108 H GLN 14 H GLN 14 -4.651 -8.589 6.074 109 HA GLN 14 HA GLN 14 -5.040 -6.812 8.235 110 1HB GLN 14 2HB GLN 14 -3.759 -9.350 7.789 111 2HB GLN 14 1HB GLN 14 -2.704 -8.318 8.744 112 1HG GLN 14 2HG GLN 14 -4.031 -8.409 10.548 113 2HG GLN 14 1HG GLN 14 -5.511 -8.339 9.595 114 1HE2 GLN 14 1HE2 GLN 14 -5.543 -10.479 8.078 115 2HE2 GLN 14 2HE2 GLN 14 -5.438 -11.935 9.002 116 H LEU 15 H LEU 15 -2.259 -7.349 6.081 117 HA LEU 15 HA LEU 15 -0.458 -5.577 7.245 118 1HB LEU 15 2HB LEU 15 0.361 -7.020 5.577 119 2HB LEU 15 1HB LEU 15 -0.856 -6.521 4.419 120 HG LEU 15 HG LEU 15 1.046 -4.424 5.301 121 1HD1 LEU 15 1HD1 LEU 15 2.691 -5.263 3.574 122 2HD1 LEU 15 2HD1 LEU 15 1.855 -6.814 3.668 123 3HD1 LEU 15 3HD1 LEU 15 2.640 -6.149 5.098 124 1HD2 LEU 15 1HD2 LEU 15 0.273 -5.176 2.506 125 2HD2 LEU 15 2HD2 LEU 15 0.747 -3.603 3.146 126 3HD2 LEU 15 3HD2 LEU 15 -0.833 -4.277 3.544 127 H MET 16 H MET 16 -2.933 -4.963 4.767 128 HA MET 16 HA MET 16 -2.342 -2.234 4.377 129 1HB MET 16 2HB MET 16 -4.255 -4.102 3.413 130 2HB MET 16 1HB MET 16 -5.141 -2.699 3.994 131 1HG MET 16 2HG MET 16 -4.759 -2.171 1.787 132 2HG MET 16 1HG MET 16 -3.440 -1.339 2.608 133 1HE MET 16 1HE MET 16 -1.011 -2.287 2.787 134 2HE MET 16 2HE MET 16 -1.233 -1.284 1.355 135 3HE MET 16 3HE MET 16 -0.316 -2.785 1.245 136 H ARG 17 H ARG 17 -4.669 -3.852 6.529 137 HA ARG 17 HA ARG 17 -5.882 -1.556 7.576 138 1HB ARG 17 2HB ARG 17 -5.474 -4.323 8.694 139 2HB ARG 17 1HB ARG 17 -6.305 -3.076 9.610 140 1HG ARG 17 2HG ARG 17 -7.706 -2.874 7.376 141 2HG ARG 17 1HG ARG 17 -7.167 -4.542 7.184 142 1HD ARG 17 2HD ARG 17 -8.009 -4.288 9.853 143 2HD ARG 17 1HD ARG 17 -9.231 -3.479 8.873 144 HE ARG 17 HE ARG 17 -8.850 -5.821 7.572 145 1HH1 ARG 17 1HH1 ARG 17 -9.573 -5.038 10.909 146 2HH1 ARG 17 2HH1 ARG 17 -10.438 -6.510 11.194 147 1HH2 ARG 17 1HH2 ARG 17 -9.995 -7.757 7.955 148 2HH2 ARG 17 2HH2 ARG 17 -10.678 -8.053 9.518 149 H GLN 18 H GLN 18 -3.023 -3.352 8.703 150 HA GLN 18 HA GLN 18 -2.544 -1.857 11.026 151 1HB GLN 18 2HB GLN 18 -0.731 -3.445 9.222 152 2HB GLN 18 1HB GLN 18 -0.117 -2.615 10.645 153 1HG GLN 18 2HG GLN 18 -1.796 -3.891 11.998 154 2HG GLN 18 1HG GLN 18 -2.148 -4.826 10.548 155 1HE2 GLN 18 1HE2 GLN 18 -1.364 -6.780 11.043 156 2HE2 GLN 18 2HE2 GLN 18 0.273 -7.104 11.494 157 H LEU 19 H LEU 19 -1.436 -1.375 7.692 158 HA LEU 19 HA LEU 19 0.270 0.808 8.193 159 1HB LEU 19 2HB LEU 19 -1.266 0.031 5.716 160 2HB LEU 19 1HB LEU 19 -0.067 1.311 5.760 161 HG LEU 19 HG LEU 19 0.780 -1.376 6.709 162 1HD1 LEU 19 1HD1 LEU 19 1.138 -1.078 3.846 163 2HD1 LEU 19 2HD1 LEU 19 -0.559 -1.203 4.304 164 3HD1 LEU 19 3HD1 LEU 19 0.578 -2.463 4.783 165 1HD2 LEU 19 1HD2 LEU 19 2.326 0.279 4.807 166 2HD2 LEU 19 2HD2 LEU 19 2.860 -0.627 6.223 167 3HD2 LEU 19 3HD2 LEU 19 2.076 0.939 6.422 168 H GLN 20 H GLN 20 -3.175 0.648 7.377 169 HA GLN 20 HA GLN 20 -3.622 3.407 7.078 170 1HB GLN 20 2HB GLN 20 -5.142 1.158 6.788 171 2HB GLN 20 1HB GLN 20 -5.832 1.847 8.252 172 1HG GLN 20 2HG GLN 20 -6.598 3.726 7.172 173 2HG GLN 20 1HG GLN 20 -5.418 3.587 5.869 174 1HE2 GLN 20 1HE2 GLN 20 -5.933 2.466 4.066 175 2HE2 GLN 20 2HE2 GLN 20 -7.456 1.700 3.799 176 H ARG 21 H ARG 21 -3.646 1.315 9.918 177 HA ARG 21 HA ARG 21 -4.646 3.292 11.716 178 1HB ARG 21 2HB ARG 21 -4.187 0.543 11.801 179 2HB ARG 21 1HB ARG 21 -3.078 1.209 12.990 180 1HG ARG 21 2HG ARG 21 -4.760 1.245 14.426 181 2HG ARG 21 1HG ARG 21 -5.497 2.520 13.452 182 1HD ARG 21 2HD ARG 21 -6.847 1.000 12.283 183 2HD ARG 21 1HD ARG 21 -5.873 -0.383 12.780 184 HE ARG 21 HE ARG 21 -6.901 0.694 15.102 185 1HH1 ARG 21 1HH1 ARG 21 -8.209 -0.689 12.160 186 2HH1 ARG 21 2HH1 ARG 21 -9.641 -1.285 12.931 187 1HH2 ARG 21 1HH2 ARG 21 -8.791 -0.095 16.110 188 2HH2 ARG 21 2HH2 ARG 21 -9.971 -0.946 15.171 189 H LYS 22 H LYS 22 -1.541 2.760 10.354 190 HA LYS 22 HA LYS 22 0.233 3.454 12.337 191 1HB LYS 22 2HB LYS 22 0.284 4.214 9.413 192 2HB LYS 22 1HB LYS 22 1.640 4.450 10.505 193 1HG LYS 22 2HG LYS 22 0.465 1.734 10.332 194 2HG LYS 22 1HG LYS 22 1.422 2.311 8.968 195 1HD LYS 22 2HD LYS 22 3.028 1.289 10.273 196 2HD LYS 22 1HD LYS 22 3.148 2.968 10.806 197 1HE LYS 22 2HE LYS 22 1.152 1.604 12.348 198 2HE LYS 22 1HE LYS 22 2.649 0.674 12.370 199 1HZ LYS 22 1HZ LYS 22 2.380 3.544 13.094 200 2HZ LYS 22 2HZ LYS 22 3.822 2.661 13.105 201 3HZ LYS 22 3HZ LYS 22 2.579 2.263 14.180 202 H ASP 23 H ASP 23 -0.758 5.882 9.920 203 HA ASP 23 HA ASP 23 -1.941 7.810 11.344 204 1HB ASP 23 2HB ASP 23 0.770 7.573 12.311 205 2HB ASP 23 1HB ASP 23 0.492 9.172 11.633 206 HA PRO 24 HA PRO 24 0.684 9.980 7.825 207 1HB PRO 24 2HB PRO 24 2.010 7.597 6.676 208 2HB PRO 24 1HB PRO 24 2.665 9.204 6.998 209 1HG PRO 24 2HG PRO 24 3.337 7.113 8.519 210 2HG PRO 24 1HG PRO 24 3.111 8.726 9.218 211 1HD PRO 24 2HD PRO 24 1.270 6.373 9.261 212 2HD PRO 24 1HD PRO 24 1.646 7.543 10.540 213 H SER 25 H SER 25 -0.651 6.739 7.543 214 HA SER 25 HA SER 25 -1.490 7.064 4.811 215 1HB SER 25 2HB SER 25 -0.918 4.844 5.855 216 2HB SER 25 1HB SER 25 -2.410 4.968 6.787 217 HG SER 25 HG SER 25 -3.584 4.878 4.908 218 H ALA 26 H ALA 26 -2.626 8.468 7.575 219 HA ALA 26 HA ALA 26 -5.397 8.090 7.502 220 1HB ALA 26 1HB ALA 26 -5.564 10.142 8.766 221 2HB ALA 26 2HB ALA 26 -3.926 10.597 8.298 222 3HB ALA 26 3HB ALA 26 -4.187 9.201 9.342 223 H PHE 27 H PHE 27 -3.307 10.086 5.521 224 HA PHE 27 HA PHE 27 -5.567 11.464 4.296 225 1HB PHE 27 2HB PHE 27 -2.677 11.720 3.477 226 2HB PHE 27 1HB PHE 27 -3.985 12.871 3.235 227 HD1 PHE 27 2HD PHE 27 -1.565 11.521 5.623 228 HD2 PHE 27 1HD PHE 27 -4.710 14.324 5.021 229 HE1 PHE 27 2HE PHE 27 -0.922 12.682 7.695 230 HE2 PHE 27 1HE PHE 27 -4.073 15.489 7.092 231 HZ PHE 27 HZ PHE 27 -2.178 14.669 8.432 232 H PHE 28 H PHE 28 -3.316 8.878 3.609 233 HA PHE 28 HA PHE 28 -4.145 8.725 0.820 234 1HB PHE 28 2HB PHE 28 -2.271 6.899 2.333 235 2HB PHE 28 1HB PHE 28 -2.458 7.013 0.586 236 HD1 PHE 28 2HD PHE 28 -2.329 9.761 -0.063 237 HD2 PHE 28 1HD PHE 28 -0.222 7.669 2.986 238 HE1 PHE 28 2HE PHE 28 -0.545 11.454 -0.141 239 HE2 PHE 28 1HE PHE 28 1.564 9.358 2.915 240 HZ PHE 28 HZ PHE 28 1.405 11.254 1.349 241 H SER 29 H SER 29 -5.354 7.655 3.727 242 HA SER 29 HA SER 29 -6.067 4.994 3.281 243 1HB SER 29 2HB SER 29 -6.247 6.244 5.455 244 2HB SER 29 1HB SER 29 -7.682 7.044 4.816 245 HG SER 29 HG SER 29 -8.563 4.884 4.534 246 H PHE 30 H PHE 30 -7.288 7.863 1.813 247 HA PHE 30 HA PHE 30 -9.433 6.314 0.553 248 1HB PHE 30 2HB PHE 30 -10.433 8.829 0.452 249 2HB PHE 30 1HB PHE 30 -10.836 7.667 1.705 250 HD1 PHE 30 2HD PHE 30 -8.211 10.226 0.979 251 HD2 PHE 30 1HD PHE 30 -10.737 8.394 3.877 252 HE1 PHE 30 2HE PHE 30 -7.379 11.787 2.688 253 HE2 PHE 30 1HE PHE 30 -9.909 9.956 5.588 254 HZ PHE 30 HZ PHE 30 -8.228 11.654 4.994 255 HA PRO 31 HA PRO 31 -7.982 7.643 -3.387 256 1HB PRO 31 2HB PRO 31 -10.227 8.654 -4.614 257 2HB PRO 31 1HB PRO 31 -9.870 6.931 -4.456 258 1HG PRO 31 2HG PRO 31 -11.660 8.656 -2.791 259 2HG PRO 31 1HG PRO 31 -11.923 7.002 -3.379 260 1HD PRO 31 2HD PRO 31 -11.178 7.489 -0.848 261 2HD PRO 31 1HD PRO 31 -10.585 6.069 -1.733 262 H VAL 32 H VAL 32 -6.844 9.369 -4.032 263 HA VAL 32 HA VAL 32 -6.870 11.799 -2.703 264 HB VAL 32 HB VAL 32 -5.675 12.681 -4.832 265 1HG1 VAL 32 1HG1 VAL 32 -4.683 10.555 -2.966 266 2HG1 VAL 32 2HG1 VAL 32 -4.395 12.294 -2.919 267 3HG1 VAL 32 3HG1 VAL 32 -3.624 11.307 -4.160 268 1HG2 VAL 32 1HG2 VAL 32 -4.943 9.950 -5.503 269 2HG2 VAL 32 2HG2 VAL 32 -5.340 11.311 -6.554 270 3HG2 VAL 32 3HG2 VAL 32 -6.627 10.325 -5.862 271 H THR 33 H THR 33 -7.547 13.889 -3.240 272 HA THR 33 HA THR 33 -9.504 14.151 -5.401 273 HB THR 33 HB THR 33 -10.375 15.586 -3.027 274 HG1 THR 33 1HG THR 33 -10.908 13.847 -1.768 275 1HG2 THR 33 1HG2 THR 33 -11.604 13.666 -4.954 276 2HG2 THR 33 2HG2 THR 33 -11.988 15.362 -4.661 277 3HG2 THR 33 3HG2 THR 33 -12.449 14.135 -3.481 278 H ASP 34 H ASP 34 -10.366 16.739 -4.809 279 HA ASP 34 HA ASP 34 -8.145 18.266 -5.740 280 1HB ASP 34 2HB ASP 34 -10.879 18.495 -5.919 281 2HB ASP 34 1HB ASP 34 -10.469 19.773 -4.783 282 H PHE 35 H PHE 35 -8.901 17.283 -2.660 283 HA PHE 35 HA PHE 35 -7.616 19.652 -1.465 284 1HB PHE 35 2HB PHE 35 -9.503 17.774 -0.030 285 2HB PHE 35 1HB PHE 35 -8.877 19.314 0.546 286 HD1 PHE 35 1HD PHE 35 -10.881 17.920 -2.277 287 HD2 PHE 35 2HD PHE 35 -10.223 21.167 0.394 288 HE1 PHE 35 1HE PHE 35 -12.863 19.066 -3.184 289 HE2 PHE 35 2HE PHE 35 -12.199 22.318 -0.508 290 HZ PHE 35 HZ PHE 35 -13.523 21.268 -2.299 291 H ILE 36 H ILE 36 -8.106 16.154 -1.203 292 HA ILE 36 HA ILE 36 -6.028 15.671 0.652 293 HB ILE 36 HB ILE 36 -7.547 13.940 -1.279 294 1HG1 ILE 36 2HG1 ILE 36 -7.764 12.890 1.252 295 2HG1 ILE 36 1HG1 ILE 36 -7.635 14.615 1.574 296 1HG2 ILE 36 1HG2 ILE 36 -5.441 12.902 -1.357 297 2HG2 ILE 36 2HG2 ILE 36 -6.376 11.985 -0.176 298 3HG2 ILE 36 3HG2 ILE 36 -5.166 13.146 0.368 299 1HD1 ILE 36 1HD1 ILE 36 -9.697 13.202 -0.087 300 2HD1 ILE 36 2HD1 ILE 36 -9.496 14.954 -0.074 301 3HD1 ILE 36 3HD1 ILE 36 -9.933 14.106 1.409 302 H ALA 37 H ALA 37 -6.159 15.982 -2.832 303 HA ALA 37 HA ALA 37 -3.237 15.595 -2.951 304 1HB ALA 37 1HB ALA 37 -3.947 13.813 -4.210 305 2HB ALA 37 2HB ALA 37 -3.828 15.059 -5.452 306 3HB ALA 37 3HB ALA 37 -5.398 14.646 -4.768 307 HA PRO 38 HA PRO 38 -3.307 19.733 -4.557 308 1HB PRO 38 2HB PRO 38 -0.579 19.596 -5.351 309 2HB PRO 38 1HB PRO 38 -1.229 20.302 -3.872 310 1HG PRO 38 2HG PRO 38 0.353 18.025 -4.008 311 2HG PRO 38 1HG PRO 38 -0.676 18.477 -2.641 312 1HD PRO 38 2HD PRO 38 -1.169 16.501 -4.820 313 2HD PRO 38 1HD PRO 38 -1.649 16.447 -3.110 314 H GLY 39 H GLY 39 -3.207 17.124 -6.390 315 1HA GLY 39 2HA GLY 39 -4.183 17.764 -8.698 316 2HA GLY 39 1HA GLY 39 -2.601 18.498 -8.909 317 H TYR 40 H TYR 40 -3.375 15.444 -7.302 318 HA TYR 40 HA TYR 40 -1.292 13.987 -8.430 319 1HB TYR 40 2HB TYR 40 -3.882 13.224 -7.142 320 2HB TYR 40 1HB TYR 40 -2.943 11.976 -7.952 321 HD1 TYR 40 2HD TYR 40 -1.853 14.888 -5.886 322 HD2 TYR 40 1HD TYR 40 -1.997 10.649 -6.279 323 HE1 TYR 40 2HE TYR 40 -0.473 14.659 -3.867 324 HE2 TYR 40 1HE TYR 40 -0.620 10.414 -4.259 325 HH TYR 40 HH TYR 40 1.101 12.925 -2.894 326 H SER 41 H SER 41 -4.611 14.422 -9.598 327 HA SER 41 HA SER 41 -4.530 12.554 -11.686 328 1HB SER 41 2HB SER 41 -6.153 15.034 -11.202 329 2HB SER 41 1HB SER 41 -6.308 14.148 -12.718 330 HG SER 41 HG SER 41 -7.808 13.452 -11.113 331 H MET 42 H MET 42 -3.105 15.726 -11.456 332 HA MET 42 HA MET 42 -2.826 16.169 -14.262 333 1HB MET 42 2HB MET 42 -2.036 17.526 -11.787 334 2HB MET 42 1HB MET 42 -0.887 17.724 -13.101 335 1HG MET 42 2HG MET 42 -3.685 18.118 -13.866 336 2HG MET 42 1HG MET 42 -3.075 19.274 -12.684 337 1HE MET 42 1HE MET 42 -0.176 20.130 -13.359 338 2HE MET 42 2HE MET 42 -1.607 21.122 -13.088 339 3HE MET 42 3HE MET 42 -0.591 21.410 -14.500 340 H ILE 43 H ILE 43 -0.574 15.016 -11.742 341 HA ILE 43 HA ILE 43 1.315 14.305 -13.884 342 HB ILE 43 HB ILE 43 1.899 15.850 -11.841 343 1HG1 ILE 43 2HG1 ILE 43 4.275 14.671 -11.917 344 2HG1 ILE 43 1HG1 ILE 43 3.528 13.780 -13.239 345 1HG2 ILE 43 1HG2 ILE 43 3.000 14.607 -10.023 346 2HG2 ILE 43 2HG2 ILE 43 2.347 13.108 -10.680 347 3HG2 ILE 43 3HG2 ILE 43 1.254 14.354 -10.073 348 1HD1 ILE 43 1HD1 ILE 43 3.341 16.748 -13.218 349 2HD1 ILE 43 2HD1 ILE 43 3.381 15.627 -14.579 350 3HD1 ILE 43 3HD1 ILE 43 4.859 15.979 -13.684 351 H ILE 44 H ILE 44 -0.120 13.033 -10.895 352 HA ILE 44 HA ILE 44 0.903 10.368 -11.478 353 HB ILE 44 HB ILE 44 -0.669 11.448 -9.134 354 1HG1 ILE 44 2HG1 ILE 44 1.554 12.250 -9.036 355 2HG1 ILE 44 1HG1 ILE 44 1.487 10.884 -7.928 356 1HG2 ILE 44 1HG2 ILE 44 -1.292 9.141 -9.461 357 2HG2 ILE 44 2HG2 ILE 44 -0.230 9.267 -8.061 358 3HG2 ILE 44 3HG2 ILE 44 0.401 8.671 -9.596 359 1HD1 ILE 44 1HD1 ILE 44 3.463 10.500 -9.015 360 2HD1 ILE 44 2HD1 ILE 44 2.874 11.138 -10.548 361 3HD1 ILE 44 3HD1 ILE 44 2.352 9.546 -9.998 362 H LYS 45 H LYS 45 -0.266 9.878 -13.342 363 HA LYS 45 HA LYS 45 -2.952 10.153 -13.836 364 1HB LYS 45 2HB LYS 45 -0.808 8.394 -14.825 365 2HB LYS 45 1HB LYS 45 -2.440 7.797 -15.089 366 1HG LYS 45 2HG LYS 45 -2.425 10.527 -15.812 367 2HG LYS 45 1HG LYS 45 -1.002 9.778 -16.539 368 1HD LYS 45 2HD LYS 45 -2.238 8.395 -17.871 369 2HD LYS 45 1HD LYS 45 -3.584 8.321 -16.733 370 1HE LYS 45 2HE LYS 45 -3.438 10.994 -17.546 371 2HE LYS 45 1HE LYS 45 -3.195 10.045 -19.011 372 1HZ LYS 45 1HZ LYS 45 -5.256 8.755 -17.949 373 2HZ LYS 45 2HZ LYS 45 -5.436 10.062 -19.007 374 3HZ LYS 45 3HZ LYS 45 -5.560 10.303 -17.337 375 H HIS 46 H HIS 46 -1.411 7.219 -12.477 376 HA HIS 46 HA HIS 46 -4.064 6.459 -11.456 377 1HB HIS 46 2HB HIS 46 -3.016 4.094 -11.447 378 2HB HIS 46 1HB HIS 46 -3.525 4.788 -12.980 379 HD1 HIS 46 1HD HIS 46 -0.269 4.936 -11.002 380 HD2 HIS 46 2HD HIS 46 -1.674 4.192 -14.844 381 HE1 HIS 46 1HE HIS 46 1.782 4.486 -12.400 382 HE2 HIS 46 2HE HIS 46 0.908 4.102 -14.733 383 HA PRO 47 HA PRO 47 -1.629 6.810 -7.616 384 1HB PRO 47 2HB PRO 47 -3.240 8.474 -6.321 385 2HB PRO 47 1HB PRO 47 -2.119 9.059 -7.547 386 1HG PRO 47 2HG PRO 47 -5.057 8.798 -7.661 387 2HG PRO 47 1HG PRO 47 -3.993 9.865 -8.592 388 1HD PRO 47 2HD PRO 47 -5.128 7.344 -9.393 389 2HD PRO 47 1HD PRO 47 -4.066 8.412 -10.332 390 H MET 48 H MET 48 -2.314 4.612 -7.500 391 HA MET 48 HA MET 48 -4.818 3.751 -6.539 392 1HB MET 48 2HB MET 48 -2.375 2.546 -7.349 393 2HB MET 48 1HB MET 48 -2.805 1.880 -5.780 394 1HG MET 48 2HG MET 48 -3.659 0.596 -7.728 395 2HG MET 48 1HG MET 48 -4.902 1.114 -6.591 396 1HE MET 48 1HE MET 48 -6.081 0.383 -9.781 397 2HE MET 48 2HE MET 48 -7.291 1.549 -9.242 398 3HE MET 48 3HE MET 48 -6.540 0.455 -8.077 399 H ASP 49 H ASP 49 -5.280 5.124 -4.786 400 HA ASP 49 HA ASP 49 -3.723 5.382 -2.457 401 1HB ASP 49 2HB ASP 49 -6.701 5.666 -2.862 402 2HB ASP 49 1HB ASP 49 -5.843 6.140 -1.399 403 H PHE 50 H PHE 50 -4.503 4.631 -0.257 404 HA PHE 50 HA PHE 50 -4.325 1.844 -0.084 405 1HB PHE 50 2HB PHE 50 -5.235 3.897 1.936 406 2HB PHE 50 1HB PHE 50 -5.052 2.189 2.319 407 HD1 PHE 50 2HD PHE 50 -3.158 5.110 1.001 408 HD2 PHE 50 1HD PHE 50 -2.998 1.362 3.012 409 HE1 PHE 50 2HE PHE 50 -0.778 5.477 1.487 410 HE2 PHE 50 1HE PHE 50 -0.616 1.727 3.501 411 HZ PHE 50 HZ PHE 50 0.496 3.786 2.741 412 H SER 51 H SER 51 -7.139 3.950 -0.260 413 HA SER 51 HA SER 51 -9.044 1.956 0.504 414 1HB SER 51 2HB SER 51 -9.834 4.137 0.802 415 2HB SER 51 1HB SER 51 -9.230 4.675 -0.763 416 HG SER 51 HG SER 51 -10.941 3.784 -1.749 417 H THR 52 H THR 52 -7.832 3.179 -2.599 418 HA THR 52 HA THR 52 -9.592 1.757 -4.266 419 HB THR 52 HB THR 52 -6.814 2.203 -5.229 420 HG1 THR 52 1HG THR 52 -8.540 4.355 -4.558 421 1HG2 THR 52 1HG2 THR 52 -9.050 1.681 -6.550 422 2HG2 THR 52 2HG2 THR 52 -7.763 2.682 -7.221 423 3HG2 THR 52 3HG2 THR 52 -9.180 3.439 -6.495 424 H MET 53 H MET 53 -6.325 0.939 -3.117 425 HA MET 53 HA MET 53 -6.202 -1.567 -4.424 426 1HB MET 53 2HB MET 53 -4.288 -2.030 -2.937 427 2HB MET 53 1HB MET 53 -4.176 -0.449 -3.697 428 1HG MET 53 2HG MET 53 -5.140 0.499 -1.563 429 2HG MET 53 1HG MET 53 -4.873 -1.089 -0.849 430 1HE MET 53 1HE MET 53 -1.256 -1.628 -0.647 431 2HE MET 53 2HE MET 53 -1.604 -1.668 -2.375 432 3HE MET 53 3HE MET 53 -2.767 -2.330 -1.226 433 H LYS 54 H LYS 54 -7.180 -0.641 -1.126 434 HA LYS 54 HA LYS 54 -7.496 -3.219 -0.080 435 1HB LYS 54 2HB LYS 54 -8.204 -0.528 0.701 436 2HB LYS 54 1HB LYS 54 -9.502 -1.644 1.096 437 1HG LYS 54 2HG LYS 54 -6.724 -2.410 1.820 438 2HG LYS 54 1HG LYS 54 -7.531 -1.161 2.772 439 1HD LYS 54 2HD LYS 54 -9.297 -2.636 3.365 440 2HD LYS 54 1HD LYS 54 -8.770 -3.844 2.191 441 1HE LYS 54 2HE LYS 54 -6.841 -4.368 3.463 442 2HE LYS 54 1HE LYS 54 -7.057 -2.958 4.500 443 1HZ LYS 54 1HZ LYS 54 -7.740 -5.209 5.418 444 2HZ LYS 54 2HZ LYS 54 -9.076 -5.115 4.385 445 3HZ LYS 54 3HZ LYS 54 -8.851 -3.944 5.585 446 H GLU 55 H GLU 55 -9.825 -1.158 -1.805 447 HA GLU 55 HA GLU 55 -12.027 -2.906 -1.552 448 1HB GLU 55 2HB GLU 55 -11.499 -0.398 -2.767 449 2HB GLU 55 1HB GLU 55 -12.185 -1.437 -4.010 450 1HG GLU 55 2HG GLU 55 -14.034 -0.404 -3.069 451 2HG GLU 55 1HG GLU 55 -13.996 -1.983 -2.289 452 H LYS 56 H LYS 56 -9.433 -2.657 -3.916 453 HA LYS 56 HA LYS 56 -10.509 -4.515 -5.771 454 1HB LYS 56 2HB LYS 56 -8.035 -3.005 -5.429 455 2HB LYS 56 1HB LYS 56 -7.759 -4.605 -6.102 456 1HG LYS 56 2HG LYS 56 -8.041 -2.915 -7.841 457 2HG LYS 56 1HG LYS 56 -9.304 -4.144 -7.912 458 1HD LYS 56 2HD LYS 56 -10.725 -2.410 -7.995 459 2HD LYS 56 1HD LYS 56 -10.422 -2.266 -6.263 460 1HE LYS 56 2HE LYS 56 -9.592 -0.235 -6.597 461 2HE LYS 56 1HE LYS 56 -8.308 -0.938 -7.578 462 1HZ LYS 56 1HZ LYS 56 -10.836 0.296 -8.435 463 2HZ LYS 56 2HZ LYS 56 -10.119 -0.879 -9.419 464 3HZ LYS 56 3HZ LYS 56 -9.271 0.532 -9.032 465 H ILE 57 H ILE 57 -8.247 -4.842 -3.037 466 HA ILE 57 HA ILE 57 -7.525 -7.518 -3.459 467 HB ILE 57 HB ILE 57 -7.828 -6.152 -0.776 468 1HG1 ILE 57 2HG1 ILE 57 -5.167 -6.473 -2.051 469 2HG1 ILE 57 1HG1 ILE 57 -6.224 -5.252 -2.749 470 1HG2 ILE 57 1HG2 ILE 57 -7.520 -8.325 -0.163 471 2HG2 ILE 57 2HG2 ILE 57 -5.834 -7.858 -0.381 472 3HG2 ILE 57 3HG2 ILE 57 -6.675 -8.744 -1.654 473 1HD1 ILE 57 1HD1 ILE 57 -4.623 -5.115 -0.402 474 2HD1 ILE 57 2HD1 ILE 57 -6.317 -4.914 0.044 475 3HD1 ILE 57 3HD1 ILE 57 -5.591 -3.853 -1.163 476 H LYS 58 H LYS 58 -10.289 -6.116 -1.738 477 HA LYS 58 HA LYS 58 -11.300 -8.474 -0.615 478 1HB LYS 58 2HB LYS 58 -12.017 -5.860 -0.525 479 2HB LYS 58 1HB LYS 58 -13.291 -6.503 -1.553 480 1HG LYS 58 2HG LYS 58 -12.974 -8.268 0.644 481 2HG LYS 58 1HG LYS 58 -13.052 -6.620 1.270 482 1HD LYS 58 2HD LYS 58 -15.138 -6.232 0.129 483 2HD LYS 58 1HD LYS 58 -15.033 -7.800 -0.677 484 1HE LYS 58 2HE LYS 58 -14.846 -8.569 1.904 485 2HE LYS 58 1HE LYS 58 -15.844 -7.126 2.080 486 1HZ LYS 58 1HZ LYS 58 -16.570 -9.059 0.001 487 2HZ LYS 58 2HZ LYS 58 -17.561 -8.063 0.940 488 3HZ LYS 58 3HZ LYS 58 -16.899 -9.465 1.610 489 H ASN 59 H ASN 59 -11.415 -7.295 -3.897 490 HA ASN 59 HA ASN 59 -13.426 -9.288 -4.650 491 1HB ASN 59 2HB ASN 59 -12.330 -6.813 -5.908 492 2HB ASN 59 1HB ASN 59 -12.964 -8.071 -6.962 493 1HD2 ASN 59 1HD2 ASN 59 -13.721 -5.501 -4.862 494 2HD2 ASN 59 2HD2 ASN 59 -15.441 -5.651 -4.922 495 H ASN 60 H ASN 60 -10.511 -9.840 -3.927 496 HA ASN 60 HA ASN 60 -8.869 -11.263 -4.560 497 1HB ASN 60 2HB ASN 60 -11.239 -12.266 -5.776 498 2HB ASN 60 1HB ASN 60 -9.925 -12.446 -6.933 499 1HD2 ASN 60 1HD2 ASN 60 -10.495 -12.878 -3.451 500 2HD2 ASN 60 2HD2 ASN 60 -9.659 -14.384 -3.335 501 H ASP 61 H ASP 61 -9.254 -8.543 -5.861 502 HA ASP 61 HA ASP 61 -8.108 -8.765 -8.477 503 1HB ASP 61 2HB ASP 61 -9.514 -6.826 -7.598 504 2HB ASP 61 1HB ASP 61 -8.079 -6.316 -6.713 505 H TYR 62 H TYR 62 -6.911 -8.239 -5.219 506 HA TYR 62 HA TYR 62 -4.165 -8.507 -6.237 507 1HB TYR 62 2HB TYR 62 -5.123 -6.772 -3.949 508 2HB TYR 62 1HB TYR 62 -3.430 -7.051 -4.351 509 HD1 TYR 62 1HD TYR 62 -2.929 -6.604 -6.980 510 HD2 TYR 62 2HD TYR 62 -6.031 -4.799 -4.694 511 HE1 TYR 62 1HE TYR 62 -3.030 -4.751 -8.589 512 HE2 TYR 62 2HE TYR 62 -6.138 -2.936 -6.293 513 HH TYR 62 HH TYR 62 -4.641 -3.044 -9.339 514 H GLN 63 H GLN 63 -3.499 -10.455 -5.717 515 HA GLN 63 HA GLN 63 -3.751 -11.366 -2.954 516 1HB GLN 63 2HB GLN 63 -5.448 -12.385 -4.785 517 2HB GLN 63 1HB GLN 63 -4.075 -13.454 -5.044 518 1HG GLN 63 2HG GLN 63 -4.323 -14.486 -3.054 519 2HG GLN 63 1HG GLN 63 -4.886 -13.027 -2.240 520 1HE2 GLN 63 1HE2 GLN 63 -5.933 -15.267 -4.796 521 2HE2 GLN 63 2HE2 GLN 63 -7.586 -15.328 -4.298 522 H SER 64 H SER 64 -1.698 -10.288 -4.910 523 HA SER 64 HA SER 64 0.324 -12.361 -4.458 524 1HB SER 64 2HB SER 64 0.538 -10.509 -6.812 525 2HB SER 64 1HB SER 64 1.236 -12.112 -6.586 526 HG SER 64 HG SER 64 -1.348 -11.385 -7.388 527 H ILE 65 H ILE 65 2.043 -11.654 -3.405 528 HA ILE 65 HA ILE 65 2.161 -9.213 -2.129 529 HB ILE 65 HB ILE 65 4.658 -9.722 -1.879 530 1HG1 ILE 65 2HG1 ILE 65 3.870 -12.423 -2.955 531 2HG1 ILE 65 1HG1 ILE 65 4.655 -11.212 -3.963 532 1HG2 ILE 65 1HG2 ILE 65 2.875 -10.245 -0.235 533 2HG2 ILE 65 2HG2 ILE 65 4.238 -11.363 -0.189 534 3HG2 ILE 65 3HG2 ILE 65 2.730 -11.842 -0.969 535 1HD1 ILE 65 1HD1 ILE 65 5.746 -12.652 -1.575 536 2HD1 ILE 65 2HD1 ILE 65 6.481 -11.170 -2.189 537 3HD1 ILE 65 3HD1 ILE 65 6.377 -12.598 -3.222 538 H GLU 66 H GLU 66 3.509 -10.155 -5.254 539 HA GLU 66 HA GLU 66 5.012 -7.769 -5.653 540 1HB GLU 66 2HB GLU 66 3.991 -9.869 -7.564 541 2HB GLU 66 1HB GLU 66 4.979 -8.508 -8.074 542 1HG GLU 66 2HG GLU 66 6.850 -9.276 -6.911 543 2HG GLU 66 1HG GLU 66 5.894 -10.368 -5.911 544 H GLU 67 H GLU 67 1.735 -8.796 -6.539 545 HA GLU 67 HA GLU 67 1.128 -6.507 -8.121 546 1HB GLU 67 2HB GLU 67 -0.481 -8.692 -6.832 547 2HB GLU 67 1HB GLU 67 -1.296 -7.304 -7.545 548 1HG GLU 67 2HG GLU 67 0.729 -8.727 -9.181 549 2HG GLU 67 1HG GLU 67 -0.832 -9.503 -8.917 550 H LEU 68 H LEU 68 0.398 -7.450 -4.791 551 HA LEU 68 HA LEU 68 -1.039 -5.161 -4.033 552 1HB LEU 68 2HB LEU 68 -0.896 -7.344 -2.811 553 2HB LEU 68 1HB LEU 68 0.714 -6.892 -2.291 554 HG LEU 68 HG LEU 68 -1.517 -5.022 -1.674 555 1HD1 LEU 68 1HD1 LEU 68 -2.577 -6.325 -0.195 556 2HD1 LEU 68 2HD1 LEU 68 -1.080 -7.074 0.361 557 3HD1 LEU 68 3HD1 LEU 68 -1.872 -7.665 -1.100 558 1HD2 LEU 68 1HD2 LEU 68 1.197 -5.649 -0.737 559 2HD2 LEU 68 2HD2 LEU 68 0.032 -5.282 0.535 560 3HD2 LEU 68 3HD2 LEU 68 0.325 -4.116 -0.754 561 H LYS 69 H LYS 69 2.414 -5.907 -3.970 562 HA LYS 69 HA LYS 69 3.253 -3.596 -2.576 563 1HB LYS 69 2HB LYS 69 4.568 -5.687 -4.227 564 2HB LYS 69 1HB LYS 69 5.438 -4.173 -4.027 565 1HG LYS 69 2HG LYS 69 5.606 -4.434 -1.711 566 2HG LYS 69 1HG LYS 69 4.341 -5.663 -1.671 567 1HD LYS 69 2HD LYS 69 6.418 -6.788 -1.376 568 2HD LYS 69 1HD LYS 69 5.868 -7.139 -3.015 569 1HE LYS 69 2HE LYS 69 7.346 -4.888 -3.409 570 2HE LYS 69 1HE LYS 69 8.222 -5.651 -2.082 571 1HZ LYS 69 1HZ LYS 69 8.957 -6.291 -4.371 572 2HZ LYS 69 2HZ LYS 69 7.481 -7.091 -4.566 573 3HZ LYS 69 3HZ LYS 69 8.561 -7.590 -3.364 574 H ASP 70 H ASP 70 2.783 -4.288 -6.011 575 HA ASP 70 HA ASP 70 3.930 -1.952 -7.051 576 1HB ASP 70 2HB ASP 70 2.540 -4.180 -8.073 577 2HB ASP 70 1HB ASP 70 1.649 -2.762 -8.617 578 H ASN 71 H ASN 71 0.623 -2.608 -5.935 579 HA ASN 71 HA ASN 71 -0.472 -0.115 -6.733 580 1HB ASN 71 2HB ASN 71 -1.337 -2.464 -5.245 581 2HB ASN 71 1HB ASN 71 -1.972 -0.980 -4.544 582 1HD2 ASN 71 1HD2 ASN 71 -1.298 -1.800 -7.930 583 2HD2 ASN 71 2HD2 ASN 71 -2.922 -1.580 -8.476 584 H PHE 72 H PHE 72 0.701 -1.284 -3.571 585 HA PHE 72 HA PHE 72 0.251 1.140 -2.182 586 1HB PHE 72 2HB PHE 72 0.506 -0.908 -0.939 587 2HB PHE 72 1HB PHE 72 2.104 -1.186 -1.617 588 HD1 PHE 72 2HD PHE 72 0.714 1.958 -0.186 589 HD2 PHE 72 1HD PHE 72 3.481 -1.250 0.253 590 HE1 PHE 72 2HE PHE 72 1.734 3.098 1.737 591 HE2 PHE 72 1HE PHE 72 4.498 -0.110 2.182 592 HZ PHE 72 HZ PHE 72 3.623 2.066 2.924 593 H LYS 73 H LYS 73 3.106 -0.199 -3.787 594 HA LYS 73 HA LYS 73 4.875 1.897 -3.115 595 1HB LYS 73 2HB LYS 73 5.437 -0.441 -3.998 596 2HB LYS 73 1HB LYS 73 5.084 0.200 -5.596 597 1HG LYS 73 2HG LYS 73 7.034 1.277 -5.722 598 2HG LYS 73 1HG LYS 73 6.932 1.856 -4.058 599 1HD LYS 73 2HD LYS 73 8.335 0.271 -3.361 600 2HD LYS 73 1HD LYS 73 7.354 -0.992 -4.105 601 1HE LYS 73 2HE LYS 73 9.310 0.709 -5.640 602 2HE LYS 73 1HE LYS 73 9.737 -0.839 -4.911 603 1HZ LYS 73 1HZ LYS 73 7.484 -0.570 -6.816 604 2HZ LYS 73 2HZ LYS 73 8.279 -1.979 -6.328 605 3HZ LYS 73 3HZ LYS 73 9.067 -0.870 -7.332 606 H LEU 74 H LEU 74 2.640 1.408 -5.819 607 HA LEU 74 HA LEU 74 3.562 3.478 -7.471 608 1HB LEU 74 2HB LEU 74 1.123 1.859 -7.247 609 2HB LEU 74 1HB LEU 74 0.848 3.459 -7.914 610 HG LEU 74 HG LEU 74 3.030 1.738 -9.036 611 1HD1 LEU 74 1HD1 LEU 74 0.272 1.641 -10.183 612 2HD1 LEU 74 2HD1 LEU 74 0.728 0.536 -8.884 613 3HD1 LEU 74 3HD1 LEU 74 1.622 0.527 -10.403 614 1HD2 LEU 74 1HD2 LEU 74 1.206 3.784 -10.287 615 2HD2 LEU 74 2HD2 LEU 74 2.612 3.023 -11.029 616 3HD2 LEU 74 3HD2 LEU 74 2.820 4.123 -9.667 617 H MET 75 H MET 75 1.066 3.512 -4.915 618 HA MET 75 HA MET 75 0.459 6.262 -5.249 619 1HB MET 75 2HB MET 75 -0.758 4.276 -3.905 620 2HB MET 75 1HB MET 75 0.062 5.071 -2.569 621 1HG MET 75 2HG MET 75 -1.153 7.079 -4.175 622 2HG MET 75 1HG MET 75 -2.343 5.816 -3.865 623 1HE MET 75 1HE MET 75 0.339 8.090 -2.279 624 2HE MET 75 2HE MET 75 0.615 6.638 -1.316 625 3HE MET 75 3HE MET 75 -0.067 8.078 -0.564 626 H CYS 76 H CYS 76 2.613 4.538 -3.007 627 HA CYS 76 HA CYS 76 3.417 6.761 -1.496 628 1HB CYS 76 2HB CYS 76 4.473 4.029 -1.972 629 2HB CYS 76 1HB CYS 76 5.612 5.211 -1.344 630 HG CYS 76 HG CYS 76 4.084 3.766 0.471 631 H THR 77 H THR 77 4.958 5.267 -4.347 632 HA THR 77 HA THR 77 7.057 7.178 -4.498 633 HB THR 77 HB THR 77 5.995 5.442 -6.735 634 HG1 THR 77 1HG THR 77 6.975 3.810 -5.843 635 1HG2 THR 77 1HG2 THR 77 8.047 7.332 -6.743 636 2HG2 THR 77 2HG2 THR 77 7.719 6.092 -7.955 637 3HG2 THR 77 3HG2 THR 77 8.844 5.761 -6.637 638 H ASN 78 H ASN 78 3.859 6.943 -5.992 639 HA ASN 78 HA ASN 78 4.214 9.130 -7.774 640 1HB ASN 78 2HB ASN 78 1.810 7.641 -6.749 641 2HB ASN 78 1HB ASN 78 1.638 9.061 -7.764 642 1HD2 ASN 78 1HD2 ASN 78 0.596 6.786 -8.693 643 2HD2 ASN 78 2HD2 ASN 78 1.553 6.138 -9.974 644 H ALA 79 H ALA 79 3.060 8.814 -4.467 645 HA ALA 79 HA ALA 79 2.018 11.456 -4.255 646 1HB ALA 79 1HB ALA 79 2.152 10.988 -1.774 647 2HB ALA 79 2HB ALA 79 2.814 9.409 -2.198 648 3HB ALA 79 3HB ALA 79 1.190 9.853 -2.721 649 H MET 80 H MET 80 5.123 9.957 -3.386 650 HA MET 80 HA MET 80 6.205 12.334 -2.240 651 1HB MET 80 2HB MET 80 8.358 11.130 -2.262 652 2HB MET 80 1HB MET 80 7.064 10.177 -1.554 653 1HG MET 80 2HG MET 80 8.112 8.618 -2.853 654 2HG MET 80 1HG MET 80 6.859 9.185 -3.952 655 1HE MET 80 1HE MET 80 10.948 10.760 -3.539 656 2HE MET 80 2HE MET 80 11.210 9.116 -4.118 657 3HE MET 80 3HE MET 80 10.253 9.396 -2.664 658 H ILE 81 H ILE 81 6.262 10.946 -5.490 659 HA ILE 81 HA ILE 81 8.302 12.666 -6.469 660 HB ILE 81 HB ILE 81 7.748 10.575 -7.624 661 1HG1 ILE 81 2HG1 ILE 81 7.237 11.996 -9.951 662 2HG1 ILE 81 1HG1 ILE 81 7.977 13.193 -8.892 663 1HG2 ILE 81 1HG2 ILE 81 5.774 10.297 -8.942 664 2HG2 ILE 81 2HG2 ILE 81 5.235 11.935 -8.570 665 3HG2 ILE 81 3HG2 ILE 81 5.290 10.714 -7.299 666 1HD1 ILE 81 1HD1 ILE 81 9.261 11.277 -10.448 667 2HD1 ILE 81 2HD1 ILE 81 9.436 10.723 -8.782 668 3HD1 ILE 81 3HD1 ILE 81 9.983 12.337 -9.239 669 H TYR 82 H TYR 82 4.720 12.829 -6.688 670 HA TYR 82 HA TYR 82 4.741 15.309 -8.087 671 1HB TYR 82 2HB TYR 82 2.802 13.795 -8.162 672 2HB TYR 82 1HB TYR 82 2.524 14.060 -6.443 673 HD1 TYR 82 1HD TYR 82 3.277 16.407 -9.253 674 HD2 TYR 82 2HD TYR 82 0.564 15.265 -6.183 675 HE1 TYR 82 1HE TYR 82 1.874 18.351 -9.782 676 HE2 TYR 82 2HE TYR 82 -0.849 17.207 -6.706 677 HH TYR 82 HH TYR 82 -0.569 18.994 -9.506 678 H ASN 83 H ASN 83 4.913 14.453 -4.703 679 HA ASN 83 HA ASN 83 4.564 17.253 -3.936 680 1HB ASN 83 2HB ASN 83 3.429 15.058 -2.847 681 2HB ASN 83 1HB ASN 83 4.887 15.140 -1.866 682 1HD2 ASN 83 1HD2 ASN 83 1.767 15.977 -1.898 683 2HD2 ASN 83 2HD2 ASN 83 1.809 17.393 -0.911 684 H LYS 84 H LYS 84 6.058 16.665 -1.423 685 HA LYS 84 HA LYS 84 8.692 15.911 -1.783 686 1HB LYS 84 2HB LYS 84 8.107 18.449 -3.020 687 2HB LYS 84 1HB LYS 84 9.234 18.685 -1.692 688 1HG LYS 84 2HG LYS 84 10.725 17.002 -2.669 689 2HG LYS 84 1HG LYS 84 9.596 16.793 -4.009 690 1HD LYS 84 2HD LYS 84 9.953 19.487 -4.036 691 2HD LYS 84 1HD LYS 84 11.537 18.937 -3.484 692 1HE LYS 84 2HE LYS 84 11.636 19.058 -5.853 693 2HE LYS 84 1HE LYS 84 11.557 17.349 -5.427 694 1HZ LYS 84 1HZ LYS 84 9.022 18.702 -5.954 695 2HZ LYS 84 2HZ LYS 84 9.505 17.125 -6.330 696 3HZ LYS 84 3HZ LYS 84 10.027 18.420 -7.286 697 HA PRO 85 HA PRO 85 8.985 16.772 2.552 698 1HB PRO 85 2HB PRO 85 11.449 18.384 2.257 699 2HB PRO 85 1HB PRO 85 11.198 16.870 3.128 700 1HG PRO 85 2HG PRO 85 12.578 16.946 0.839 701 2HG PRO 85 1HG PRO 85 11.526 15.576 1.237 702 1HD PRO 85 2HD PRO 85 11.027 17.876 -0.613 703 2HD PRO 85 1HD PRO 85 10.628 16.159 -0.819 704 H GLU 86 H GLU 86 7.114 18.237 2.164 705 HA GLU 86 HA GLU 86 7.771 21.076 2.499 706 1HB GLU 86 2HB GLU 86 5.541 19.591 1.262 707 2HB GLU 86 1HB GLU 86 5.087 21.053 2.126 708 1HG GLU 86 2HG GLU 86 7.330 21.708 0.560 709 2HG GLU 86 1HG GLU 86 6.249 20.769 -0.465 710 H THR 87 H THR 87 5.316 18.772 3.737 711 HA THR 87 HA THR 87 5.690 19.844 6.426 712 HB THR 87 HB THR 87 3.211 20.137 6.659 713 HG1 THR 87 1HG THR 87 3.068 19.069 4.352 714 1HG2 THR 87 1HG2 THR 87 4.655 21.980 4.774 715 2HG2 THR 87 2HG2 THR 87 4.506 22.133 6.526 716 3HG2 THR 87 3HG2 THR 87 3.087 22.332 5.498 717 H ILE 88 H ILE 88 6.493 17.593 6.483 718 HA ILE 88 HA ILE 88 6.338 15.430 7.176 719 HB ILE 88 HB ILE 88 3.512 16.088 8.014 720 1HG1 ILE 88 2HG1 ILE 88 5.676 16.234 10.020 721 2HG1 ILE 88 1HG1 ILE 88 5.700 17.513 8.812 722 1HG2 ILE 88 1HG2 ILE 88 5.383 13.857 8.513 723 2HG2 ILE 88 2HG2 ILE 88 3.621 13.870 8.443 724 3HG2 ILE 88 3HG2 ILE 88 4.450 14.423 9.898 725 1HD1 ILE 88 1HD1 ILE 88 4.250 17.519 11.127 726 2HD1 ILE 88 2HD1 ILE 88 3.053 17.040 9.926 727 3HD1 ILE 88 3HD1 ILE 88 3.952 18.544 9.723 728 H TYR 89 H TYR 89 4.663 16.509 4.558 729 HA TYR 89 HA TYR 89 2.960 14.280 4.020 730 1HB TYR 89 2HB TYR 89 3.795 16.741 2.625 731 2HB TYR 89 1HB TYR 89 3.490 15.373 1.561 732 HD1 TYR 89 2HD TYR 89 1.904 17.153 4.442 733 HD2 TYR 89 1HD TYR 89 1.345 15.043 0.789 734 HE1 TYR 89 2HE TYR 89 -0.508 17.606 4.558 735 HE2 TYR 89 1HE TYR 89 -1.070 15.492 0.895 736 HH TYR 89 HH TYR 89 -2.446 17.759 2.603 737 H TYR 90 H TYR 90 6.170 15.311 2.954 738 HA TYR 90 HA TYR 90 6.697 13.119 1.255 739 1HB TYR 90 2HB TYR 90 7.946 15.371 1.467 740 2HB TYR 90 1HB TYR 90 8.835 14.597 2.775 741 HD1 TYR 90 2HD TYR 90 7.941 14.145 -0.816 742 HD2 TYR 90 1HD TYR 90 10.730 13.326 2.291 743 HE1 TYR 90 2HE TYR 90 9.473 13.150 -2.460 744 HE2 TYR 90 1HE TYR 90 12.269 12.330 0.656 745 HH TYR 90 HH TYR 90 12.220 12.813 -2.450 746 H LYS 91 H LYS 91 7.572 13.718 4.654 747 HA LYS 91 HA LYS 91 8.905 11.252 5.034 748 1HB LYS 91 2HB LYS 91 9.006 13.382 6.483 749 2HB LYS 91 1HB LYS 91 7.539 12.774 7.240 750 1HG LYS 91 2HG LYS 91 8.923 10.599 7.571 751 2HG LYS 91 1HG LYS 91 10.308 11.661 7.318 752 1HD LYS 91 2HD LYS 91 9.984 11.621 9.645 753 2HD LYS 91 1HD LYS 91 9.290 13.154 9.110 754 1HE LYS 91 2HE LYS 91 7.078 11.792 8.964 755 2HE LYS 91 1HE LYS 91 7.910 10.663 10.033 756 1HZ LYS 91 1HZ LYS 91 7.853 12.110 11.755 757 2HZ LYS 91 2HZ LYS 91 6.487 12.684 10.938 758 3HZ LYS 91 3HZ LYS 91 7.967 13.486 10.778 759 H ALA 92 H ALA 92 5.541 12.241 5.371 760 HA ALA 92 HA ALA 92 4.567 10.037 6.802 761 1HB ALA 92 1HB ALA 92 3.093 11.837 6.616 762 2HB ALA 92 2HB ALA 92 2.379 10.608 5.573 763 3HB ALA 92 3HB ALA 92 3.289 11.942 4.866 764 H ALA 93 H ALA 93 4.912 10.543 3.299 765 HA ALA 93 HA ALA 93 3.792 8.042 2.549 766 1HB ALA 93 1HB ALA 93 4.050 10.095 1.087 767 2HB ALA 93 2HB ALA 93 4.463 8.550 0.344 768 3HB ALA 93 3HB ALA 93 5.741 9.632 0.898 769 H LYS 94 H LYS 94 7.154 9.155 2.953 770 HA LYS 94 HA LYS 94 8.382 6.741 2.164 771 1HB LYS 94 2HB LYS 94 9.241 9.187 3.615 772 2HB LYS 94 1HB LYS 94 10.240 7.754 3.812 773 1HG LYS 94 2HG LYS 94 9.966 7.744 1.144 774 2HG LYS 94 1HG LYS 94 9.835 9.476 1.455 775 1HD LYS 94 2HD LYS 94 12.089 9.391 1.328 776 2HD LYS 94 1HD LYS 94 11.952 8.875 3.011 777 1HE LYS 94 2HE LYS 94 13.429 7.357 1.922 778 2HE LYS 94 1HE LYS 94 11.907 6.509 2.190 779 1HZ LYS 94 1HZ LYS 94 13.098 6.390 -0.106 780 2HZ LYS 94 2HZ LYS 94 12.339 7.876 -0.376 781 3HZ LYS 94 3HZ LYS 94 11.412 6.504 -0.032 782 H LYS 95 H LYS 95 7.440 7.958 5.368 783 HA LYS 95 HA LYS 95 8.486 5.845 6.889 784 1HB LYS 95 2HB LYS 95 7.492 8.136 7.631 785 2HB LYS 95 1HB LYS 95 5.963 7.270 7.675 786 1HG LYS 95 2HG LYS 95 8.337 6.172 9.115 787 2HG LYS 95 1HG LYS 95 7.398 7.487 9.824 788 1HD LYS 95 2HD LYS 95 5.383 6.145 9.727 789 2HD LYS 95 1HD LYS 95 6.255 4.847 8.909 790 1HE LYS 95 2HE LYS 95 6.771 3.983 10.885 791 2HE LYS 95 1HE LYS 95 7.698 5.436 11.255 792 1HZ LYS 95 1HZ LYS 95 5.929 6.373 12.395 793 2HZ LYS 95 2HZ LYS 95 5.832 4.746 12.842 794 3HZ LYS 95 3HZ LYS 95 4.775 5.366 11.675 795 H LEU 96 H LEU 96 5.285 6.276 5.404 796 HA LEU 96 HA LEU 96 4.109 3.936 6.439 797 1HB LEU 96 2HB LEU 96 3.328 6.029 4.744 798 2HB LEU 96 1HB LEU 96 3.144 4.576 3.783 799 HG LEU 96 HG LEU 96 1.075 5.256 4.975 800 1HD1 LEU 96 1HD1 LEU 96 0.712 3.092 4.591 801 2HD1 LEU 96 2HD1 LEU 96 1.103 2.851 6.292 802 3HD1 LEU 96 3HD1 LEU 96 2.350 2.641 5.063 803 1HD2 LEU 96 1HD2 LEU 96 2.710 5.767 7.095 804 2HD2 LEU 96 2HD2 LEU 96 1.994 4.222 7.554 805 3HD2 LEU 96 3HD2 LEU 96 0.958 5.600 7.184 806 H LEU 97 H LEU 97 5.957 4.541 3.475 807 HA LEU 97 HA LEU 97 5.633 2.076 2.219 808 1HB LEU 97 2HB LEU 97 6.811 4.221 1.395 809 2HB LEU 97 1HB LEU 97 8.239 3.577 2.182 810 HG LEU 97 HG LEU 97 6.784 1.854 0.223 811 1HD1 LEU 97 1HD1 LEU 97 6.920 3.626 -1.215 812 2HD1 LEU 97 2HD1 LEU 97 8.512 2.905 -1.452 813 3HD1 LEU 97 3HD1 LEU 97 8.328 4.316 -0.411 814 1HD2 LEU 97 1HD2 LEU 97 9.569 2.130 1.282 815 2HD2 LEU 97 2HD2 LEU 97 9.273 1.316 -0.254 816 3HD2 LEU 97 3HD2 LEU 97 8.529 0.706 1.224 817 H HIS 98 H HIS 98 8.059 3.081 4.620 818 HA HIS 98 HA HIS 98 9.523 0.685 4.673 819 1HB HIS 98 2HB HIS 98 9.240 3.046 6.449 820 2HB HIS 98 1HB HIS 98 9.877 1.583 7.192 821 HD1 HIS 98 1HD HIS 98 10.871 4.450 5.189 822 HD2 HIS 98 2HD HIS 98 12.271 0.588 5.824 823 HE1 HIS 98 1HE HIS 98 13.247 4.452 4.366 824 HE2 HIS 98 2HE HIS 98 14.093 2.121 4.815 825 H SER 99 H SER 99 6.715 1.749 6.562 826 HA SER 99 HA SER 99 6.575 -0.442 8.313 827 1HB SER 99 2HB SER 99 4.162 1.057 7.282 828 2HB SER 99 1HB SER 99 4.375 0.286 8.853 829 HG SER 99 HG SER 99 5.325 2.736 7.922 830 H GLY 100 H GLY 100 5.117 0.097 5.119 831 1HA GLY 100 2HA GLY 100 3.593 -2.270 5.029 832 2HA GLY 100 1HA GLY 100 4.141 -1.354 3.632 833 H MET 101 H MET 101 6.961 -1.633 4.164 834 HA MET 101 HA MET 101 7.443 -4.078 2.841 835 1HB MET 101 2HB MET 101 9.154 -1.959 4.066 836 2HB MET 101 1HB MET 101 9.894 -3.495 3.642 837 1HG MET 101 2HG MET 101 8.855 -3.158 1.336 838 2HG MET 101 1HG MET 101 8.586 -1.491 1.844 839 1HE MET 101 1HE MET 101 12.526 -3.560 0.866 840 2HE MET 101 2HE MET 101 10.939 -4.293 1.088 841 3HE MET 101 3HE MET 101 11.921 -3.878 2.492 842 H LYS 102 H LYS 102 8.054 -3.080 6.216 843 HA LYS 102 HA LYS 102 9.177 -5.516 7.049 844 1HB LYS 102 2HB LYS 102 8.640 -4.773 9.353 845 2HB LYS 102 1HB LYS 102 9.462 -3.547 8.402 846 1HG LYS 102 2HG LYS 102 7.616 -2.189 8.299 847 2HG LYS 102 1HG LYS 102 6.487 -3.524 8.534 848 1HD LYS 102 2HD LYS 102 6.344 -2.749 10.637 849 2HD LYS 102 1HD LYS 102 7.880 -3.588 10.867 850 1HE LYS 102 2HE LYS 102 9.119 -1.633 10.715 851 2HE LYS 102 1HE LYS 102 7.844 -0.774 9.852 852 1HZ LYS 102 1HZ LYS 102 6.612 -1.245 12.147 853 2HZ LYS 102 2HZ LYS 102 7.548 0.138 11.881 854 3HZ LYS 102 3HZ LYS 102 8.204 -1.179 12.713 855 H ILE 103 H ILE 103 5.813 -4.439 6.903 856 HA ILE 103 HA ILE 103 4.773 -6.723 8.279 857 HB ILE 103 HB ILE 103 3.294 -4.847 6.432 858 1HG1 ILE 103 2HG1 ILE 103 3.219 -4.655 9.421 859 2HG1 ILE 103 1HG1 ILE 103 4.564 -3.929 8.550 860 1HG2 ILE 103 1HG2 ILE 103 2.397 -6.862 8.475 861 2HG2 ILE 103 2HG2 ILE 103 1.979 -6.779 6.765 862 3HG2 ILE 103 3HG2 ILE 103 1.349 -5.572 7.886 863 1HD1 ILE 103 1HD1 ILE 103 2.860 -2.680 7.188 864 2HD1 ILE 103 2HD1 ILE 103 2.965 -2.230 8.891 865 3HD1 ILE 103 3HD1 ILE 103 1.647 -3.259 8.331 866 H LEU 104 H LEU 104 5.312 -5.880 4.889 867 HA LEU 104 HA LEU 104 3.901 -8.021 3.729 868 1HB LEU 104 2HB LEU 104 5.680 -5.945 2.854 869 2HB LEU 104 1HB LEU 104 6.134 -7.459 2.097 870 HG LEU 104 HG LEU 104 3.252 -6.890 2.016 871 1HD1 LEU 104 1HD1 LEU 104 3.406 -5.213 0.271 872 2HD1 LEU 104 2HD1 LEU 104 5.161 -5.174 0.435 873 3HD1 LEU 104 3HD1 LEU 104 4.138 -4.619 1.761 874 1HD2 LEU 104 1HD2 LEU 104 3.821 -8.684 0.715 875 2HD2 LEU 104 2HD2 LEU 104 5.380 -8.003 0.256 876 3HD2 LEU 104 3HD2 LEU 104 3.899 -7.394 -0.485 877 H SER 105 H SER 105 7.124 -7.816 5.110 878 HA SER 105 HA SER 105 8.241 -10.147 4.039 879 1HB SER 105 2HB SER 105 8.784 -8.433 6.402 880 2HB SER 105 1HB SER 105 9.446 -10.068 6.448 881 HG SER 105 HG SER 105 9.826 -8.203 4.339 882 H GLN 106 H GLN 106 6.019 -9.688 6.729 883 HA GLN 106 HA GLN 106 6.263 -12.197 7.954 884 1HB GLN 106 2HB GLN 106 3.994 -10.230 7.756 885 2HB GLN 106 1HB GLN 106 3.803 -11.758 8.606 886 1HG GLN 106 2HG GLN 106 4.874 -11.002 10.395 887 2HG GLN 106 1HG GLN 106 6.204 -10.371 9.426 888 1HE2 GLN 106 1HE2 GLN 106 6.413 -8.477 10.562 889 2HE2 GLN 106 2HE2 GLN 106 5.228 -7.220 10.526 890 H GLU 107 H GLU 107 4.404 -11.157 5.140 891 HA GLU 107 HA GLU 107 2.773 -13.406 4.809 892 1HB GLU 107 2HB GLU 107 3.926 -11.449 2.824 893 2HB GLU 107 1HB GLU 107 2.820 -12.733 2.349 894 1HG GLU 107 2HG GLU 107 1.883 -11.122 4.599 895 2HG GLU 107 1HG GLU 107 2.107 -10.214 3.107 896 H ARG 108 H ARG 108 6.076 -12.771 3.691 897 HA ARG 108 HA ARG 108 6.243 -15.343 2.364 898 1HB ARG 108 2HB ARG 108 7.516 -12.916 2.013 899 2HB ARG 108 1HB ARG 108 8.758 -13.902 2.772 900 1HG ARG 108 2HG ARG 108 7.245 -14.578 0.257 901 2HG ARG 108 1HG ARG 108 8.909 -14.004 0.354 902 1HD ARG 108 2HD ARG 108 9.709 -16.016 1.003 903 2HD ARG 108 1HD ARG 108 8.280 -16.397 1.961 904 HE ARG 108 HE ARG 108 7.369 -17.451 0.141 905 1HH1 ARG 108 1HH1 ARG 108 10.115 -15.549 -0.918 906 2HH1 ARG 108 2HH1 ARG 108 10.128 -16.226 -2.510 907 1HH2 ARG 108 1HH2 ARG 108 7.388 -18.337 -1.963 908 2HH2 ARG 108 2HH2 ARG 108 8.579 -17.808 -3.106 909 H LEU 109 H LEU 109 7.860 -13.749 5.114 910 HA LEU 109 HA LEU 109 8.983 -16.300 5.963 911 1HB LEU 109 2HB LEU 109 10.028 -13.826 5.998 912 2HB LEU 109 1HB LEU 109 9.330 -13.854 7.605 913 HG LEU 109 HG LEU 109 10.972 -16.203 6.870 914 1HD1 LEU 109 1HD1 LEU 109 12.130 -13.447 7.214 915 2HD1 LEU 109 2HD1 LEU 109 12.386 -14.580 5.886 916 3HD1 LEU 109 3HD1 LEU 109 13.054 -14.926 7.482 917 1HD2 LEU 109 1HD2 LEU 109 10.347 -14.561 9.275 918 2HD2 LEU 109 2HD2 LEU 109 11.843 -15.495 9.249 919 3HD2 LEU 109 3HD2 LEU 109 10.291 -16.310 9.053 920 H GLU 110 H GLU 110 7.335 -17.511 6.790 921 HA GLU 110 HA GLU 110 5.747 -16.340 8.970 922 1HB GLU 110 2HB GLU 110 4.679 -17.425 6.862 923 2HB GLU 110 1HB GLU 110 5.099 -18.948 7.631 924 1HG GLU 110 2HG GLU 110 3.372 -18.828 9.012 925 2HG GLU 110 1HG GLU 110 3.764 -17.173 9.476 926 H HIS 111 H HIS 111 7.020 -19.575 8.107 927 HA HIS 111 HA HIS 111 7.575 -20.024 10.961 928 1HB HIS 111 2HB HIS 111 6.098 -21.591 9.375 929 2HB HIS 111 1HB HIS 111 7.678 -22.274 9.014 930 HD1 HIS 111 1HD HIS 111 4.949 -22.748 11.222 931 HD2 HIS 111 2HD HIS 111 9.079 -22.911 11.644 932 HE1 HIS 111 1HE HIS 111 5.360 -24.102 13.302 933 HE2 HIS 111 2HE HIS 111 7.868 -24.242 13.500 934 H HIS 112 H HIS 112 9.564 -20.804 11.642 935 HA HIS 112 HA HIS 112 11.787 -20.214 9.845 936 1HB HIS 112 2HB HIS 112 13.169 -20.440 11.930 937 2HB HIS 112 1HB HIS 112 11.946 -19.175 12.003 938 HD1 HIS 112 1HD HIS 112 10.328 -19.280 13.911 939 HD2 HIS 112 2HD HIS 112 12.426 -22.835 13.419 940 HE1 HIS 112 1HE HIS 112 9.697 -20.711 15.880 941 HE2 HIS 112 2HE HIS 112 11.046 -22.821 15.607 942 H HIS 113 H HIS 113 13.700 -21.661 9.865 943 HA HIS 113 HA HIS 113 13.316 -24.414 10.600 944 1HB HIS 113 2HB HIS 113 12.273 -23.781 8.170 945 2HB HIS 113 1HB HIS 113 13.920 -24.201 7.713 946 HD1 HIS 113 1HD HIS 113 11.966 -25.928 10.447 947 HD2 HIS 113 2HD HIS 113 13.373 -26.658 6.606 948 HE1 HIS 113 1HE HIS 113 11.573 -28.378 10.042 949 HE2 HIS 113 2HE HIS 113 12.359 -28.780 7.683 950 H HIS 114 H HIS 114 15.191 -23.932 11.818 951 HA HIS 114 HA HIS 114 17.639 -23.251 10.410 952 1HB HIS 114 2HB HIS 114 16.734 -23.318 13.212 953 2HB HIS 114 1HB HIS 114 18.404 -23.823 12.980 954 HD1 HIS 114 1HD HIS 114 18.614 -21.484 14.473 955 HD2 HIS 114 2HD HIS 114 17.697 -21.146 10.433 956 HE1 HIS 114 1HE HIS 114 19.179 -19.115 13.850 957 HE2 HIS 114 2HE HIS 114 18.700 -18.960 11.380 958 H HIS 115 H HIS 115 19.648 -24.587 11.264 959 HA HIS 115 HA HIS 115 20.824 -26.536 11.296 960 1HB HIS 115 2HB HIS 115 18.186 -27.966 11.691 961 2HB HIS 115 1HB HIS 115 19.792 -28.605 12.013 962 HD1 HIS 115 1HD HIS 115 21.064 -27.555 14.101 963 HD2 HIS 115 2HD HIS 115 17.048 -26.542 13.748 964 HE1 HIS 115 1HE HIS 115 20.404 -26.629 16.344 965 HE2 HIS 115 2HE HIS 115 17.949 -26.104 16.133 966 H HIS 116 H HIS 116 21.229 -28.497 9.977 967 HA HIS 116 HA HIS 116 20.339 -28.026 7.254 968 1HB HIS 116 2HB HIS 116 22.569 -29.525 8.536 969 2HB HIS 116 1HB HIS 116 22.025 -30.082 6.956 970 HD1 HIS 116 1HD HIS 116 23.775 -27.251 8.645 971 HD2 HIS 116 2HD HIS 116 22.563 -28.332 4.819 972 HE1 HIS 116 1HE HIS 116 24.959 -25.666 7.093 973 HE2 HIS 116 2HE HIS 116 24.281 -26.398 4.779 Start of MODEL 18 1 1H MET 0 1HT MET 0 -9.032 -27.911 -6.469 2 2H MET 0 2HT MET 0 -8.051 -27.574 -7.834 3 3H MET 0 3HT MET 0 -8.483 -26.314 -6.756 4 HA MET 0 HA MET 0 -7.210 -27.233 -5.033 5 1HB MET 0 2HB MET 0 -5.834 -29.291 -5.530 6 2HB MET 0 1HB MET 0 -7.563 -29.569 -5.385 7 1HG MET 0 2HG MET 0 -6.598 -29.034 -8.111 8 2HG MET 0 1HG MET 0 -6.022 -30.531 -7.379 9 1HE MET 0 1HE MET 0 -7.731 -30.104 -9.976 10 2HE MET 0 2HE MET 0 -8.955 -28.973 -9.401 11 3HE MET 0 3HE MET 0 -9.418 -30.607 -9.873 12 H GLU 1 H GLU 1 -5.078 -26.598 -4.783 13 HA GLU 1 HA GLU 1 -3.127 -25.554 -5.239 14 1HB GLU 1 2HB GLU 1 -3.500 -27.293 -7.585 15 2HB GLU 1 1HB GLU 1 -2.416 -25.931 -7.839 16 1HG GLU 1 2HG GLU 1 -0.818 -26.784 -6.517 17 2HG GLU 1 1HG GLU 1 -1.975 -27.414 -5.344 18 H GLU 2 H GLU 2 -5.951 -24.505 -6.293 19 HA GLU 2 HA GLU 2 -4.919 -21.928 -7.052 20 1HB GLU 2 2HB GLU 2 -6.056 -23.782 -9.050 21 2HB GLU 2 1HB GLU 2 -6.697 -22.147 -9.095 22 1HG GLU 2 2HG GLU 2 -4.242 -21.405 -9.098 23 2HG GLU 2 1HG GLU 2 -3.890 -23.076 -9.532 24 H VAL 3 H VAL 3 -6.677 -23.270 -5.000 25 HA VAL 3 HA VAL 3 -8.884 -21.351 -5.181 26 HB VAL 3 HB VAL 3 -9.307 -24.180 -4.212 27 1HG1 VAL 3 1HG1 VAL 3 -11.737 -23.379 -4.795 28 2HG1 VAL 3 2HG1 VAL 3 -11.031 -21.777 -4.581 29 3HG1 VAL 3 3HG1 VAL 3 -10.990 -22.943 -3.257 30 1HG2 VAL 3 1HG2 VAL 3 -10.127 -23.050 -6.885 31 2HG2 VAL 3 2HG2 VAL 3 -10.379 -24.694 -6.300 32 3HG2 VAL 3 3HG2 VAL 3 -8.747 -24.120 -6.640 33 H GLU 4 H GLU 4 -6.241 -22.051 -3.524 34 HA GLU 4 HA GLU 4 -7.436 -21.785 -0.861 35 1HB GLU 4 2HB GLU 4 -4.933 -22.956 -1.904 36 2HB GLU 4 1HB GLU 4 -4.778 -22.074 -0.390 37 1HG GLU 4 2HG GLU 4 -7.018 -23.627 0.006 38 2HG GLU 4 1HG GLU 4 -5.941 -24.675 -0.918 39 H GLN 5 H GLN 5 -6.938 -19.640 -3.045 40 HA GLN 5 HA GLN 5 -4.998 -17.884 -1.872 41 1HB GLN 5 2HB GLN 5 -7.089 -17.483 -4.009 42 2HB GLN 5 1HB GLN 5 -6.001 -16.205 -3.482 43 1HG GLN 5 2HG GLN 5 -4.141 -17.229 -4.382 44 2HG GLN 5 1HG GLN 5 -4.894 -18.824 -4.378 45 1HE2 GLN 5 1HE2 GLN 5 -4.778 -19.401 -6.455 46 2HE2 GLN 5 2HE2 GLN 5 -5.455 -18.508 -7.768 47 H THR 6 H THR 6 -8.290 -18.590 -1.230 48 HA THR 6 HA THR 6 -9.370 -16.209 -0.382 49 HB THR 6 HB THR 6 -10.245 -18.078 1.510 50 HG1 THR 6 1HG THR 6 -10.013 -19.978 0.672 51 1HG2 THR 6 1HG2 THR 6 -11.325 -16.618 -0.616 52 2HG2 THR 6 2HG2 THR 6 -12.188 -17.509 0.637 53 3HG2 THR 6 3HG2 THR 6 -11.780 -18.300 -0.886 54 HA PRO 7 HA PRO 7 -7.590 -17.017 4.157 55 1HB PRO 7 2HB PRO 7 -5.156 -18.383 3.957 56 2HB PRO 7 1HB PRO 7 -6.669 -19.036 4.578 57 1HG PRO 7 2HG PRO 7 -5.445 -19.330 1.885 58 2HG PRO 7 1HG PRO 7 -6.388 -20.499 2.824 59 1HD PRO 7 2HD PRO 7 -7.455 -19.195 0.745 60 2HD PRO 7 1HD PRO 7 -8.414 -19.555 2.197 61 H LEU 8 H LEU 8 -5.395 -16.883 1.379 62 HA LEU 8 HA LEU 8 -3.432 -15.206 2.441 63 1HB LEU 8 2HB LEU 8 -4.103 -16.270 -0.109 64 2HB LEU 8 1HB LEU 8 -3.848 -14.548 -0.309 65 HG LEU 8 HG LEU 8 -1.667 -15.164 1.160 66 1HD1 LEU 8 1HD1 LEU 8 -1.666 -17.486 -0.676 67 2HD1 LEU 8 2HD1 LEU 8 -2.584 -17.643 0.820 68 3HD1 LEU 8 3HD1 LEU 8 -0.863 -17.264 0.879 69 1HD2 LEU 8 1HD2 LEU 8 -2.053 -14.090 -1.207 70 2HD2 LEU 8 2HD2 LEU 8 -1.520 -15.673 -1.771 71 3HD2 LEU 8 3HD2 LEU 8 -0.468 -14.706 -0.739 72 H GLN 9 H GLN 9 -6.566 -14.441 1.009 73 HA GLN 9 HA GLN 9 -6.268 -11.661 0.742 74 1HB GLN 9 2HB GLN 9 -8.128 -12.976 -0.236 75 2HB GLN 9 1HB GLN 9 -8.784 -13.217 1.376 76 1HG GLN 9 2HG GLN 9 -9.143 -10.827 1.609 77 2HG GLN 9 1HG GLN 9 -8.439 -10.555 0.016 78 1HE2 GLN 9 1HE2 GLN 9 -9.938 -10.129 -1.440 79 2HE2 GLN 9 2HE2 GLN 9 -11.505 -10.851 -1.532 80 H GLU 10 H GLU 10 -7.337 -13.651 3.473 81 HA GLU 10 HA GLU 10 -8.146 -11.590 5.189 82 1HB GLU 10 2HB GLU 10 -8.651 -13.965 5.581 83 2HB GLU 10 1HB GLU 10 -6.952 -14.278 5.903 84 1HG GLU 10 2HG GLU 10 -7.968 -14.143 8.005 85 2HG GLU 10 1HG GLU 10 -7.143 -12.603 7.791 86 H ALA 11 H ALA 11 -4.981 -13.182 4.830 87 HA ALA 11 HA ALA 11 -3.642 -11.728 6.847 88 1HB ALA 11 1HB ALA 11 -2.825 -13.435 4.566 89 2HB ALA 11 2HB ALA 11 -2.383 -13.530 6.269 90 3HB ALA 11 3HB ALA 11 -1.608 -12.340 5.225 91 H LEU 12 H LEU 12 -4.067 -11.167 3.378 92 HA LEU 12 HA LEU 12 -2.381 -8.964 3.080 93 1HB LEU 12 2HB LEU 12 -3.915 -10.398 1.402 94 2HB LEU 12 1HB LEU 12 -4.924 -8.973 1.556 95 HG LEU 12 HG LEU 12 -2.081 -8.432 0.998 96 1HD1 LEU 12 1HD1 LEU 12 -3.596 -9.203 -1.404 97 2HD1 LEU 12 2HD1 LEU 12 -3.045 -10.532 -0.384 98 3HD1 LEU 12 3HD1 LEU 12 -1.882 -9.378 -1.033 99 1HD2 LEU 12 1HD2 LEU 12 -4.672 -7.214 0.651 100 2HD2 LEU 12 2HD2 LEU 12 -3.761 -7.205 -0.859 101 3HD2 LEU 12 3HD2 LEU 12 -3.068 -6.482 0.593 102 H ASN 13 H ASN 13 -5.832 -9.081 3.961 103 HA ASN 13 HA ASN 13 -6.228 -6.291 4.104 104 1HB ASN 13 2HB ASN 13 -7.682 -8.429 5.676 105 2HB ASN 13 1HB ASN 13 -8.253 -6.795 5.360 106 1HD2 ASN 13 1HD2 ASN 13 -9.346 -9.487 4.695 107 2HD2 ASN 13 2HD2 ASN 13 -9.631 -9.439 2.993 108 H GLN 14 H GLN 14 -5.016 -8.636 6.432 109 HA GLN 14 HA GLN 14 -5.144 -6.996 8.725 110 1HB GLN 14 2HB GLN 14 -3.445 -9.380 8.011 111 2HB GLN 14 1HB GLN 14 -3.281 -8.554 9.554 112 1HG GLN 14 2HG GLN 14 -5.542 -9.077 10.144 113 2HG GLN 14 1HG GLN 14 -5.853 -9.736 8.538 114 1HE2 GLN 14 1HE2 GLN 14 -5.325 -11.808 8.107 115 2HE2 GLN 14 2HE2 GLN 14 -4.603 -12.886 9.245 116 H LEU 15 H LEU 15 -2.534 -7.584 6.371 117 HA LEU 15 HA LEU 15 -0.599 -5.957 7.609 118 1HB LEU 15 2HB LEU 15 -0.994 -7.003 4.837 119 2HB LEU 15 1HB LEU 15 0.227 -5.777 5.115 120 HG LEU 15 HG LEU 15 1.288 -7.269 6.800 121 1HD1 LEU 15 1HD1 LEU 15 0.641 -9.525 7.058 122 2HD1 LEU 15 2HD1 LEU 15 -0.520 -9.421 5.735 123 3HD1 LEU 15 3HD1 LEU 15 -0.830 -8.570 7.248 124 1HD2 LEU 15 1HD2 LEU 15 2.296 -7.272 4.686 125 2HD2 LEU 15 2HD2 LEU 15 0.964 -8.164 3.953 126 3HD2 LEU 15 3HD2 LEU 15 2.060 -8.977 5.070 127 H MET 16 H MET 16 -3.078 -5.230 5.184 128 HA MET 16 HA MET 16 -2.309 -2.552 4.696 129 1HB MET 16 2HB MET 16 -5.086 -3.729 4.473 130 2HB MET 16 1HB MET 16 -4.492 -2.278 3.676 131 1HG MET 16 2HG MET 16 -3.056 -4.823 3.161 132 2HG MET 16 1HG MET 16 -4.651 -4.609 2.439 133 1HE MET 16 1HE MET 16 -0.768 -3.760 1.468 134 2HE MET 16 2HE MET 16 -1.281 -3.307 3.093 135 3HE MET 16 3HE MET 16 -0.950 -2.058 1.892 136 H ARG 17 H ARG 17 -4.577 -4.016 6.994 137 HA ARG 17 HA ARG 17 -5.589 -1.589 8.033 138 1HB ARG 17 2HB ARG 17 -5.509 -4.412 9.059 139 2HB ARG 17 1HB ARG 17 -6.129 -3.105 10.061 140 1HG ARG 17 2HG ARG 17 -7.878 -2.641 8.519 141 2HG ARG 17 1HG ARG 17 -7.172 -3.709 7.304 142 1HD ARG 17 2HD ARG 17 -9.077 -4.762 8.396 143 2HD ARG 17 1HD ARG 17 -7.585 -5.634 8.747 144 HE ARG 17 HE ARG 17 -7.825 -3.954 10.855 145 1HH1 ARG 17 1HH1 ARG 17 -10.021 -6.253 9.386 146 2HH1 ARG 17 2HH1 ARG 17 -10.843 -6.601 10.868 147 1HH2 ARG 17 1HH2 ARG 17 -8.910 -4.423 12.809 148 2HH2 ARG 17 2HH2 ARG 17 -10.212 -5.563 12.810 149 H GLN 18 H GLN 18 -2.911 -3.695 9.048 150 HA GLN 18 HA GLN 18 -2.233 -2.331 11.403 151 1HB GLN 18 2HB GLN 18 -0.944 -4.289 9.629 152 2HB GLN 18 1HB GLN 18 0.183 -3.259 10.502 153 1HG GLN 18 2HG GLN 18 -0.426 -4.085 12.550 154 2HG GLN 18 1HG GLN 18 -2.036 -4.553 12.004 155 1HE2 GLN 18 1HE2 GLN 18 -1.862 -6.235 10.107 156 2HE2 GLN 18 2HE2 GLN 18 -0.838 -7.583 10.450 157 H LEU 19 H LEU 19 -1.153 -1.860 8.053 158 HA LEU 19 HA LEU 19 0.722 0.184 8.601 159 1HB LEU 19 2HB LEU 19 -0.725 -0.764 6.166 160 2HB LEU 19 1HB LEU 19 0.133 0.764 6.099 161 HG LEU 19 HG LEU 19 1.640 -1.573 7.138 162 1HD1 LEU 19 1HD1 LEU 19 0.957 -2.819 5.378 163 2HD1 LEU 19 2HD1 LEU 19 2.185 -1.872 4.539 164 3HD1 LEU 19 3HD1 LEU 19 0.486 -1.415 4.420 165 1HD2 LEU 19 1HD2 LEU 19 3.480 -0.471 6.175 166 2HD2 LEU 19 2HD2 LEU 19 2.491 0.806 6.878 167 3HD2 LEU 19 3HD2 LEU 19 2.453 0.518 5.139 168 H GLN 20 H GLN 20 -2.724 0.244 7.787 169 HA GLN 20 HA GLN 20 -2.942 3.059 7.559 170 1HB GLN 20 2HB GLN 20 -4.758 0.761 7.588 171 2HB GLN 20 1HB GLN 20 -5.457 2.211 8.294 172 1HG GLN 20 2HG GLN 20 -4.077 2.772 5.811 173 2HG GLN 20 1HG GLN 20 -5.343 1.563 5.611 174 1HE2 GLN 20 1HE2 GLN 20 -4.959 4.549 7.516 175 2HE2 GLN 20 2HE2 GLN 20 -6.456 5.253 7.016 176 H ARG 21 H ARG 21 -3.282 0.822 10.261 177 HA ARG 21 HA ARG 21 -4.373 2.648 12.122 178 1HB ARG 21 2HB ARG 21 -4.280 0.097 12.260 179 2HB ARG 21 1HB ARG 21 -2.631 0.300 12.835 180 1HG ARG 21 2HG ARG 21 -4.074 2.011 14.445 181 2HG ARG 21 1HG ARG 21 -5.151 0.628 14.238 182 1HD ARG 21 2HD ARG 21 -2.586 -0.435 14.679 183 2HD ARG 21 1HD ARG 21 -2.781 0.868 15.847 184 HE ARG 21 HE ARG 21 -4.366 -0.380 16.936 185 1HH1 ARG 21 1HH1 ARG 21 -3.765 -1.815 13.795 186 2HH1 ARG 21 2HH1 ARG 21 -4.677 -3.247 14.138 187 1HH2 ARG 21 1HH2 ARG 21 -5.573 -2.267 17.379 188 2HH2 ARG 21 2HH2 ARG 21 -5.706 -3.502 16.172 189 H LYS 22 H LYS 22 -1.206 2.385 10.831 190 HA LYS 22 HA LYS 22 0.468 3.106 12.881 191 1HB LYS 22 2HB LYS 22 0.484 3.806 9.956 192 2HB LYS 22 1HB LYS 22 1.738 4.404 11.033 193 1HG LYS 22 2HG LYS 22 1.074 1.486 10.772 194 2HG LYS 22 1HG LYS 22 2.268 2.299 9.757 195 1HD LYS 22 2HD LYS 22 3.563 2.908 11.711 196 2HD LYS 22 1HD LYS 22 2.336 2.215 12.774 197 1HE LYS 22 2HE LYS 22 2.809 0.015 12.037 198 2HE LYS 22 1HE LYS 22 3.778 0.600 10.684 199 1HZ LYS 22 1HZ LYS 22 4.656 1.372 13.357 200 2HZ LYS 22 2HZ LYS 22 5.568 0.946 11.996 201 3HZ LYS 22 3HZ LYS 22 4.844 -0.258 12.939 202 H ASP 23 H ASP 23 -0.667 5.553 10.546 203 HA ASP 23 HA ASP 23 -2.001 7.328 12.029 204 1HB ASP 23 2HB ASP 23 0.698 7.242 13.030 205 2HB ASP 23 1HB ASP 23 0.340 8.839 12.394 206 HA PRO 24 HA PRO 24 0.493 9.818 8.621 207 1HB PRO 24 2HB PRO 24 1.947 7.578 7.354 208 2HB PRO 24 1HB PRO 24 2.515 9.198 7.766 209 1HG PRO 24 2HG PRO 24 3.298 7.059 9.169 210 2HG PRO 24 1HG PRO 24 2.994 8.621 9.952 211 1HD PRO 24 2HD PRO 24 1.276 6.181 9.876 212 2HD PRO 24 1HD PRO 24 1.597 7.301 11.214 213 H SER 25 H SER 25 -0.521 6.468 8.100 214 HA SER 25 HA SER 25 -1.313 6.665 5.418 215 1HB SER 25 2HB SER 25 -1.214 4.623 7.192 216 2HB SER 25 1HB SER 25 -2.952 4.922 7.162 217 HG SER 25 HG SER 25 -2.925 4.619 4.930 218 H ALA 26 H ALA 26 -2.821 7.860 8.309 219 HA ALA 26 HA ALA 26 -5.497 7.983 7.609 220 1HB ALA 26 1HB ALA 26 -4.444 8.637 9.806 221 2HB ALA 26 2HB ALA 26 -5.736 9.690 9.231 222 3HB ALA 26 3HB ALA 26 -4.054 10.187 9.060 223 H PHE 27 H PHE 27 -2.819 9.966 6.488 224 HA PHE 27 HA PHE 27 -4.415 12.011 5.300 225 1HB PHE 27 2HB PHE 27 -1.536 11.188 4.906 226 2HB PHE 27 1HB PHE 27 -2.270 12.547 4.061 227 HD1 PHE 27 1HD PHE 27 -1.255 11.262 7.360 228 HD2 PHE 27 2HD PHE 27 -2.670 14.615 5.156 229 HE1 PHE 27 1HE PHE 27 -0.757 12.724 9.274 230 HE2 PHE 27 2HE PHE 27 -2.173 16.084 7.065 231 HZ PHE 27 HZ PHE 27 -1.215 15.140 9.127 232 H PHE 28 H PHE 28 -2.795 9.100 4.027 233 HA PHE 28 HA PHE 28 -4.139 9.509 1.448 234 1HB PHE 28 2HB PHE 28 -1.938 7.580 2.225 235 2HB PHE 28 1HB PHE 28 -2.618 7.746 0.610 236 HD1 PHE 28 1HD PHE 28 -2.698 10.401 -0.100 237 HD2 PHE 28 2HD PHE 28 0.126 8.526 2.472 238 HE1 PHE 28 1HE PHE 28 -1.071 12.172 -0.601 239 HE2 PHE 28 2HE PHE 28 1.763 10.294 1.973 240 HZ PHE 28 HZ PHE 28 1.163 12.123 0.435 241 H SER 29 H SER 29 -5.696 8.727 3.694 242 HA SER 29 HA SER 29 -6.245 5.890 3.351 243 1HB SER 29 2HB SER 29 -6.187 6.865 5.626 244 2HB SER 29 1HB SER 29 -7.534 7.917 5.197 245 HG SER 29 HG SER 29 -7.683 5.091 5.031 246 H PHE 30 H PHE 30 -6.937 8.276 1.412 247 HA PHE 30 HA PHE 30 -9.572 7.225 0.729 248 1HB PHE 30 2HB PHE 30 -9.093 9.865 1.817 249 2HB PHE 30 1HB PHE 30 -9.749 9.976 0.188 250 HD1 PHE 30 2HD PHE 30 -10.352 8.204 3.419 251 HD2 PHE 30 1HD PHE 30 -12.032 9.916 -0.097 252 HE1 PHE 30 2HE PHE 30 -12.610 7.799 4.305 253 HE2 PHE 30 1HE PHE 30 -14.292 9.514 0.785 254 HZ PHE 30 HZ PHE 30 -14.584 8.454 2.988 255 HA PRO 31 HA PRO 31 -7.935 7.321 -3.371 256 1HB PRO 31 2HB PRO 31 -10.198 7.715 -4.841 257 2HB PRO 31 1HB PRO 31 -9.790 6.172 -4.081 258 1HG PRO 31 2HG PRO 31 -11.655 8.314 -3.136 259 2HG PRO 31 1HG PRO 31 -11.868 6.554 -3.118 260 1HD PRO 31 2HD PRO 31 -11.152 7.939 -0.915 261 2HD PRO 31 1HD PRO 31 -10.580 6.288 -1.223 262 H VAL 32 H VAL 32 -6.665 9.101 -3.637 263 HA VAL 32 HA VAL 32 -7.398 11.755 -3.483 264 HB VAL 32 HB VAL 32 -5.466 12.029 -5.305 265 1HG1 VAL 32 1HG1 VAL 32 -3.915 12.191 -3.481 266 2HG1 VAL 32 2HG1 VAL 32 -4.940 11.174 -2.464 267 3HG1 VAL 32 3HG1 VAL 32 -5.490 12.780 -2.948 268 1HG2 VAL 32 1HG2 VAL 32 -4.445 9.573 -4.044 269 2HG2 VAL 32 2HG2 VAL 32 -4.120 10.250 -5.637 270 3HG2 VAL 32 3HG2 VAL 32 -5.613 9.359 -5.344 271 H THR 33 H THR 33 -7.919 13.366 -4.961 272 HA THR 33 HA THR 33 -8.698 12.563 -7.656 273 HB THR 33 HB THR 33 -10.692 14.287 -6.333 274 HG1 THR 33 1HG THR 33 -11.604 12.698 -5.115 275 1HG2 THR 33 1HG2 THR 33 -10.605 12.675 -8.594 276 2HG2 THR 33 2HG2 THR 33 -12.002 13.529 -7.940 277 3HG2 THR 33 3HG2 THR 33 -11.700 11.852 -7.482 278 H ASP 34 H ASP 34 -9.987 14.920 -8.402 279 HA ASP 34 HA ASP 34 -7.750 16.661 -8.752 280 1HB ASP 34 2HB ASP 34 -10.034 16.124 -10.179 281 2HB ASP 34 1HB ASP 34 -10.375 17.716 -9.514 282 H PHE 35 H PHE 35 -9.864 16.353 -6.193 283 HA PHE 35 HA PHE 35 -9.488 19.170 -5.423 284 1HB PHE 35 2HB PHE 35 -11.826 18.915 -5.830 285 2HB PHE 35 1HB PHE 35 -11.873 17.365 -4.999 286 HD1 PHE 35 2HD PHE 35 -11.597 17.308 -2.512 287 HD2 PHE 35 1HD PHE 35 -12.145 20.932 -4.672 288 HE1 PHE 35 2HE PHE 35 -12.257 18.444 -0.430 289 HE2 PHE 35 1HE PHE 35 -12.805 22.074 -2.597 290 HZ PHE 35 HZ PHE 35 -12.863 20.832 -0.471 291 H ILE 36 H ILE 36 -9.915 15.831 -4.317 292 HA ILE 36 HA ILE 36 -9.202 16.242 -1.625 293 HB ILE 36 HB ILE 36 -9.153 13.800 -3.394 294 1HG1 ILE 36 2HG1 ILE 36 -10.905 14.402 -1.012 295 2HG1 ILE 36 1HG1 ILE 36 -11.329 14.899 -2.646 296 1HG2 ILE 36 1HG2 ILE 36 -7.490 13.279 -1.847 297 2HG2 ILE 36 2HG2 ILE 36 -8.949 12.549 -1.182 298 3HG2 ILE 36 3HG2 ILE 36 -8.345 14.069 -0.523 299 1HD1 ILE 36 1HD1 ILE 36 -11.863 12.455 -1.403 300 2HD1 ILE 36 2HD1 ILE 36 -10.634 12.121 -2.624 301 3HD1 ILE 36 3HD1 ILE 36 -12.150 12.898 -3.085 302 H ALA 37 H ALA 37 -7.325 15.649 -4.536 303 HA ALA 37 HA ALA 37 -4.827 15.697 -2.973 304 1HB ALA 37 1HB ALA 37 -3.887 14.297 -4.475 305 2HB ALA 37 2HB ALA 37 -4.748 15.007 -5.841 306 3HB ALA 37 3HB ALA 37 -5.565 13.857 -4.784 307 HA PRO 38 HA PRO 38 -3.773 19.607 -4.712 308 1HB PRO 38 2HB PRO 38 -0.970 19.015 -4.899 309 2HB PRO 38 1HB PRO 38 -1.802 19.969 -3.672 310 1HG PRO 38 2HG PRO 38 -0.630 17.507 -3.242 311 2HG PRO 38 1HG PRO 38 -1.879 18.228 -2.219 312 1HD PRO 38 2HD PRO 38 -2.110 16.091 -4.272 313 2HD PRO 38 1HD PRO 38 -3.022 16.321 -2.770 314 H GLY 39 H GLY 39 -3.594 16.928 -6.468 315 1HA GLY 39 2HA GLY 39 -4.013 17.570 -8.926 316 2HA GLY 39 1HA GLY 39 -2.366 18.174 -8.825 317 H TYR 40 H TYR 40 -3.465 15.226 -7.221 318 HA TYR 40 HA TYR 40 -1.367 13.664 -8.239 319 1HB TYR 40 2HB TYR 40 -3.925 13.056 -6.803 320 2HB TYR 40 1HB TYR 40 -3.058 11.726 -7.564 321 HD1 TYR 40 1HD TYR 40 -1.925 14.737 -5.654 322 HD2 TYR 40 2HD TYR 40 -1.943 10.477 -5.927 323 HE1 TYR 40 1HE TYR 40 -0.443 14.605 -3.702 324 HE2 TYR 40 2HE TYR 40 -0.466 10.350 -3.973 325 HH TYR 40 HH TYR 40 0.177 13.013 -1.954 326 H SER 41 H SER 41 -4.774 13.908 -9.253 327 HA SER 41 HA SER 41 -4.646 11.984 -11.304 328 1HB SER 41 2HB SER 41 -6.690 13.260 -10.237 329 2HB SER 41 1HB SER 41 -6.424 14.381 -11.572 330 HG SER 41 HG SER 41 -7.750 12.927 -12.449 331 H MET 42 H MET 42 -3.495 15.266 -11.192 332 HA MET 42 HA MET 42 -3.401 15.666 -14.017 333 1HB MET 42 2HB MET 42 -3.408 17.410 -12.076 334 2HB MET 42 1HB MET 42 -1.668 17.163 -12.089 335 1HG MET 42 2HG MET 42 -2.597 17.571 -14.762 336 2HG MET 42 1HG MET 42 -3.185 18.864 -13.719 337 1HE MET 42 1HE MET 42 0.466 16.873 -13.832 338 2HE MET 42 2HE MET 42 1.065 17.988 -15.057 339 3HE MET 42 3HE MET 42 -0.398 17.051 -15.359 340 H ILE 43 H ILE 43 -0.887 14.930 -11.577 341 HA ILE 43 HA ILE 43 0.962 14.319 -13.777 342 HB ILE 43 HB ILE 43 1.451 15.916 -11.734 343 1HG1 ILE 43 2HG1 ILE 43 3.919 14.633 -11.980 344 2HG1 ILE 43 1HG1 ILE 43 3.082 14.277 -13.487 345 1HG2 ILE 43 1HG2 ILE 43 2.755 14.776 -9.984 346 2HG2 ILE 43 2HG2 ILE 43 2.242 13.225 -10.642 347 3HG2 ILE 43 3HG2 ILE 43 1.046 14.335 -9.969 348 1HD1 ILE 43 1HD1 ILE 43 4.355 16.261 -13.790 349 2HD1 ILE 43 2HD1 ILE 43 3.681 16.983 -12.329 350 3HD1 ILE 43 3HD1 ILE 43 2.652 16.715 -13.737 351 H ILE 44 H ILE 44 -0.273 12.945 -10.750 352 HA ILE 44 HA ILE 44 0.973 10.379 -11.329 353 HB ILE 44 HB ILE 44 -0.585 11.394 -8.950 354 1HG1 ILE 44 2HG1 ILE 44 1.629 12.264 -8.977 355 2HG1 ILE 44 1HG1 ILE 44 1.618 10.949 -7.808 356 1HG2 ILE 44 1HG2 ILE 44 -1.149 9.073 -9.209 357 2HG2 ILE 44 2HG2 ILE 44 -0.012 9.238 -7.873 358 3HG2 ILE 44 3HG2 ILE 44 0.545 8.647 -9.437 359 1HD1 ILE 44 1HD1 ILE 44 3.495 10.354 -8.874 360 2HD1 ILE 44 2HD1 ILE 44 3.060 11.215 -10.350 361 3HD1 ILE 44 3HD1 ILE 44 2.378 9.620 -10.022 362 H LYS 45 H LYS 45 -0.187 9.735 -13.139 363 HA LYS 45 HA LYS 45 -2.874 9.788 -13.623 364 1HB LYS 45 2HB LYS 45 -0.623 8.155 -14.544 365 2HB LYS 45 1HB LYS 45 -2.192 7.385 -14.726 366 1HG LYS 45 2HG LYS 45 -2.394 8.508 -16.626 367 2HG LYS 45 1HG LYS 45 -2.619 9.956 -15.640 368 1HD LYS 45 2HD LYS 45 -0.382 10.601 -15.868 369 2HD LYS 45 1HD LYS 45 0.128 8.986 -16.365 370 1HE LYS 45 2HE LYS 45 0.174 10.292 -18.324 371 2HE LYS 45 1HE LYS 45 -1.292 9.322 -18.435 372 1HZ LYS 45 1HZ LYS 45 -2.249 11.500 -17.250 373 2HZ LYS 45 2HZ LYS 45 -2.195 11.312 -18.930 374 3HZ LYS 45 3HZ LYS 45 -0.991 12.199 -18.141 375 H HIS 46 H HIS 46 -1.176 7.016 -12.104 376 HA HIS 46 HA HIS 46 -3.799 6.195 -11.048 377 1HB HIS 46 2HB HIS 46 -2.870 3.855 -11.053 378 2HB HIS 46 1HB HIS 46 -3.135 4.566 -12.640 379 HD1 HIS 46 1HD HIS 46 -0.415 3.452 -10.322 380 HD2 HIS 46 2HD HIS 46 -0.822 4.980 -14.164 381 HE1 HIS 46 1HE HIS 46 1.829 3.132 -11.412 382 HE2 HIS 46 2HE HIS 46 1.596 4.190 -13.688 383 HA PRO 47 HA PRO 47 -1.315 6.645 -7.245 384 1HB PRO 47 2HB PRO 47 -2.964 8.379 -6.013 385 2HB PRO 47 1HB PRO 47 -1.689 8.890 -7.110 386 1HG PRO 47 2HG PRO 47 -4.573 9.022 -7.477 387 2HG PRO 47 1HG PRO 47 -3.300 9.754 -8.467 388 1HD PRO 47 2HD PRO 47 -4.801 7.280 -8.910 389 2HD PRO 47 1HD PRO 47 -3.765 8.177 -10.039 390 H MET 48 H MET 48 -2.112 4.495 -7.033 391 HA MET 48 HA MET 48 -4.682 3.879 -5.974 392 1HB MET 48 2HB MET 48 -2.250 2.095 -5.869 393 2HB MET 48 1HB MET 48 -3.936 1.608 -5.812 394 1HG MET 48 2HG MET 48 -3.322 3.133 -8.199 395 2HG MET 48 1HG MET 48 -2.319 1.693 -8.050 396 1HE MET 48 1HE MET 48 -5.947 3.045 -7.817 397 2HE MET 48 2HE MET 48 -5.979 1.845 -6.525 398 3HE MET 48 3HE MET 48 -6.926 1.588 -7.989 399 H ASP 49 H ASP 49 -4.843 5.277 -4.187 400 HA ASP 49 HA ASP 49 -3.068 5.273 -1.998 401 1HB ASP 49 2HB ASP 49 -5.858 6.244 -2.457 402 2HB ASP 49 1HB ASP 49 -5.245 6.179 -0.807 403 H PHE 50 H PHE 50 -3.942 4.738 0.285 404 HA PHE 50 HA PHE 50 -4.086 1.952 0.511 405 1HB PHE 50 2HB PHE 50 -4.766 4.077 2.548 406 2HB PHE 50 1HB PHE 50 -4.567 2.365 2.911 407 HD1 PHE 50 2HD PHE 50 -2.782 5.370 1.671 408 HD2 PHE 50 1HD PHE 50 -2.445 1.435 3.255 409 HE1 PHE 50 2HE PHE 50 -0.367 5.707 1.976 410 HE2 PHE 50 1HE PHE 50 -0.031 1.768 3.566 411 HZ PHE 50 HZ PHE 50 1.013 3.903 2.926 412 H SER 51 H SER 51 -6.651 4.378 0.430 413 HA SER 51 HA SER 51 -8.716 2.593 1.289 414 1HB SER 51 2HB SER 51 -8.519 5.343 0.842 415 2HB SER 51 1HB SER 51 -9.683 4.780 -0.356 416 HG SER 51 HG SER 51 -9.938 5.011 2.346 417 H THR 52 H THR 52 -7.548 3.699 -1.870 418 HA THR 52 HA THR 52 -9.549 2.404 -3.399 419 HB THR 52 HB THR 52 -6.863 2.806 -4.607 420 HG1 THR 52 1HG THR 52 -6.732 4.665 -3.595 421 1HG2 THR 52 1HG2 THR 52 -9.550 2.717 -5.511 422 2HG2 THR 52 2HG2 THR 52 -8.068 2.865 -6.453 423 3HG2 THR 52 3HG2 THR 52 -8.889 4.312 -5.870 424 H MET 53 H MET 53 -6.196 1.479 -2.609 425 HA MET 53 HA MET 53 -6.223 -0.984 -3.968 426 1HB MET 53 2HB MET 53 -4.223 -1.529 -2.732 427 2HB MET 53 1HB MET 53 -4.166 0.165 -3.197 428 1HG MET 53 2HG MET 53 -4.976 0.726 -0.893 429 2HG MET 53 1HG MET 53 -4.752 -0.972 -0.477 430 1HE MET 53 1HE MET 53 -1.368 -1.502 -1.888 431 2HE MET 53 2HE MET 53 -2.786 -2.205 -1.111 432 3HE MET 53 3HE MET 53 -1.386 -1.751 -0.143 433 H LYS 54 H LYS 54 -7.049 -0.159 -0.612 434 HA LYS 54 HA LYS 54 -7.387 -2.757 0.374 435 1HB LYS 54 2HB LYS 54 -7.327 -0.653 1.733 436 2HB LYS 54 1HB LYS 54 -8.965 -0.316 1.195 437 1HG LYS 54 2HG LYS 54 -9.825 -2.204 2.345 438 2HG LYS 54 1HG LYS 54 -8.204 -2.823 2.671 439 1HD LYS 54 2HD LYS 54 -7.796 -0.704 3.987 440 2HD LYS 54 1HD LYS 54 -9.524 -0.377 3.834 441 1HE LYS 54 2HE LYS 54 -9.870 -2.707 4.826 442 2HE LYS 54 1HE LYS 54 -8.163 -2.643 5.265 443 1HZ LYS 54 1HZ LYS 54 -9.502 -1.898 7.098 444 2HZ LYS 54 2HZ LYS 54 -10.280 -0.748 6.134 445 3HZ LYS 54 3HZ LYS 54 -8.634 -0.579 6.490 446 H GLU 55 H GLU 55 -9.694 -0.591 -1.236 447 HA GLU 55 HA GLU 55 -11.965 -2.248 -0.979 448 1HB GLU 55 2HB GLU 55 -11.561 0.268 -1.888 449 2HB GLU 55 1HB GLU 55 -11.739 -0.581 -3.417 450 1HG GLU 55 2HG GLU 55 -13.852 -1.588 -2.152 451 2HG GLU 55 1HG GLU 55 -13.721 -0.056 -1.290 452 H LYS 56 H LYS 56 -9.393 -2.078 -3.379 453 HA LYS 56 HA LYS 56 -10.544 -3.852 -5.265 454 1HB LYS 56 2HB LYS 56 -7.957 -2.537 -4.842 455 2HB LYS 56 1HB LYS 56 -7.830 -4.112 -5.609 456 1HG LYS 56 2HG LYS 56 -8.007 -2.716 -7.422 457 2HG LYS 56 1HG LYS 56 -9.684 -3.209 -7.186 458 1HD LYS 56 2HD LYS 56 -8.785 -0.789 -5.738 459 2HD LYS 56 1HD LYS 56 -8.942 -0.655 -7.490 460 1HE LYS 56 2HE LYS 56 -11.251 -1.502 -7.323 461 2HE LYS 56 1HE LYS 56 -11.085 -1.564 -5.569 462 1HZ LYS 56 1HZ LYS 56 -12.159 0.444 -6.005 463 2HZ LYS 56 2HZ LYS 56 -11.161 0.817 -7.319 464 3HZ LYS 56 3HZ LYS 56 -10.550 0.899 -5.743 465 H ILE 57 H ILE 57 -8.274 -4.351 -2.560 466 HA ILE 57 HA ILE 57 -7.735 -7.059 -3.015 467 HB ILE 57 HB ILE 57 -7.934 -5.778 -0.288 468 1HG1 ILE 57 2HG1 ILE 57 -5.314 -6.039 -1.666 469 2HG1 ILE 57 1HG1 ILE 57 -6.381 -4.763 -2.238 470 1HG2 ILE 57 1HG2 ILE 57 -5.910 -7.833 -0.887 471 2HG2 ILE 57 2HG2 ILE 57 -7.582 -8.385 -0.856 472 3HG2 ILE 57 3HG2 ILE 57 -6.890 -7.591 0.557 473 1HD1 ILE 57 1HD1 ILE 57 -4.691 -4.787 0.037 474 2HD1 ILE 57 2HD1 ILE 57 -6.359 -4.644 0.584 475 3HD1 ILE 57 3HD1 ILE 57 -5.707 -3.481 -0.571 476 H LYS 58 H LYS 58 -10.406 -5.521 -1.258 477 HA LYS 58 HA LYS 58 -11.517 -7.817 -0.111 478 1HB LYS 58 2HB LYS 58 -12.859 -5.278 -1.051 479 2HB LYS 58 1HB LYS 58 -13.653 -6.511 -0.083 480 1HG LYS 58 2HG LYS 58 -11.320 -5.941 1.312 481 2HG LYS 58 1HG LYS 58 -11.884 -4.374 0.729 482 1HD LYS 58 2HD LYS 58 -13.909 -6.192 1.911 483 2HD LYS 58 1HD LYS 58 -12.741 -5.464 3.014 484 1HE LYS 58 2HE LYS 58 -14.450 -3.908 3.024 485 2HE LYS 58 1HE LYS 58 -13.358 -3.253 1.805 486 1HZ LYS 58 1HZ LYS 58 -15.270 -3.144 0.633 487 2HZ LYS 58 2HZ LYS 58 -16.020 -4.391 1.489 488 3HZ LYS 58 3HZ LYS 58 -14.908 -4.756 0.271 489 H ASN 59 H ASN 59 -11.539 -6.750 -3.424 490 HA ASN 59 HA ASN 59 -13.615 -8.710 -4.115 491 1HB ASN 59 2HB ASN 59 -12.544 -6.249 -5.441 492 2HB ASN 59 1HB ASN 59 -13.257 -7.511 -6.434 493 1HD2 ASN 59 1HD2 ASN 59 -13.864 -5.129 -3.959 494 2HD2 ASN 59 2HD2 ASN 59 -15.586 -5.154 -4.087 495 H ASN 60 H ASN 60 -10.664 -9.225 -3.459 496 HA ASN 60 HA ASN 60 -9.037 -10.653 -4.116 497 1HB ASN 60 2HB ASN 60 -11.079 -11.441 -6.194 498 2HB ASN 60 1HB ASN 60 -9.600 -12.326 -5.849 499 1HD2 ASN 60 1HD2 ASN 60 -9.467 -12.348 -3.177 500 2HD2 ASN 60 2HD2 ASN 60 -10.827 -13.167 -2.498 501 H ASP 61 H ASP 61 -9.413 -7.918 -5.381 502 HA ASP 61 HA ASP 61 -8.329 -8.163 -8.023 503 1HB ASP 61 2HB ASP 61 -8.618 -5.808 -6.156 504 2HB ASP 61 1HB ASP 61 -7.963 -5.673 -7.776 505 H TYR 62 H TYR 62 -7.062 -7.643 -4.792 506 HA TYR 62 HA TYR 62 -4.334 -7.884 -5.865 507 1HB TYR 62 2HB TYR 62 -5.308 -6.224 -3.533 508 2HB TYR 62 1HB TYR 62 -3.609 -6.532 -3.869 509 HD1 TYR 62 1HD TYR 62 -2.910 -5.981 -6.397 510 HD2 TYR 62 2HD TYR 62 -6.208 -4.268 -4.321 511 HE1 TYR 62 1HE TYR 62 -2.903 -4.081 -7.959 512 HE2 TYR 62 2HE TYR 62 -6.204 -2.364 -5.871 513 HH TYR 62 HH TYR 62 -4.844 -2.337 -8.750 514 H GLN 63 H GLN 63 -3.702 -9.877 -5.461 515 HA GLN 63 HA GLN 63 -3.724 -10.870 -2.732 516 1HB GLN 63 2HB GLN 63 -5.770 -11.676 -4.320 517 2HB GLN 63 1HB GLN 63 -4.566 -12.893 -4.725 518 1HG GLN 63 2HG GLN 63 -5.027 -13.997 -2.872 519 2HG GLN 63 1HG GLN 63 -4.610 -12.585 -1.902 520 1HE2 GLN 63 1HE2 GLN 63 -7.006 -14.730 -2.606 521 2HE2 GLN 63 2HE2 GLN 63 -8.372 -13.811 -2.088 522 H SER 64 H SER 64 -1.830 -9.944 -4.874 523 HA SER 64 HA SER 64 -0.048 -12.269 -4.810 524 1HB SER 64 2HB SER 64 0.177 -10.385 -7.113 525 2HB SER 64 1HB SER 64 0.496 -12.116 -7.042 526 HG SER 64 HG SER 64 -1.358 -11.776 -8.249 527 H ILE 65 H ILE 65 1.927 -11.838 -4.095 528 HA ILE 65 HA ILE 65 2.566 -9.535 -2.712 529 HB ILE 65 HB ILE 65 4.990 -10.334 -2.979 530 1HG1 ILE 65 2HG1 ILE 65 4.236 -13.031 -3.636 531 2HG1 ILE 65 1HG1 ILE 65 3.792 -11.958 -4.957 532 1HG2 ILE 65 1HG2 ILE 65 3.137 -12.387 -1.833 533 2HG2 ILE 65 2HG2 ILE 65 3.332 -10.793 -1.104 534 3HG2 ILE 65 3HG2 ILE 65 4.717 -11.872 -1.244 535 1HD1 ILE 65 1HD1 ILE 65 6.393 -11.237 -4.144 536 2HD1 ILE 65 2HD1 ILE 65 5.884 -11.996 -5.653 537 3HD1 ILE 65 3HD1 ILE 65 6.344 -12.996 -4.275 538 H GLU 66 H GLU 66 3.251 -10.371 -6.072 539 HA GLU 66 HA GLU 66 4.935 -8.144 -6.618 540 1HB GLU 66 2HB GLU 66 4.909 -10.198 -7.992 541 2HB GLU 66 1HB GLU 66 3.272 -9.824 -8.508 542 1HG GLU 66 2HG GLU 66 4.053 -7.821 -9.626 543 2HG GLU 66 1HG GLU 66 5.691 -8.118 -9.050 544 H GLU 67 H GLU 67 1.471 -8.787 -7.074 545 HA GLU 67 HA GLU 67 0.836 -6.350 -8.347 546 1HB GLU 67 2HB GLU 67 -0.778 -8.392 -6.839 547 2HB GLU 67 1HB GLU 67 -1.520 -6.916 -7.445 548 1HG GLU 67 2HG GLU 67 0.018 -8.786 -9.220 549 2HG GLU 67 1HG GLU 67 -1.705 -8.980 -8.898 550 H LEU 68 H LEU 68 0.603 -7.360 -4.937 551 HA LEU 68 HA LEU 68 -0.458 -4.970 -3.917 552 1HB LEU 68 2HB LEU 68 0.954 -7.318 -2.790 553 2HB LEU 68 1HB LEU 68 0.980 -5.862 -1.816 554 HG LEU 68 HG LEU 68 -0.850 -7.162 -1.061 555 1HD1 LEU 68 1HD1 LEU 68 -1.188 -4.673 -1.486 556 2HD1 LEU 68 2HD1 LEU 68 -2.633 -5.657 -1.259 557 3HD1 LEU 68 3HD1 LEU 68 -2.151 -5.162 -2.880 558 1HD2 LEU 68 1HD2 LEU 68 -1.656 -7.379 -3.956 559 2HD2 LEU 68 2HD2 LEU 68 -2.653 -7.899 -2.597 560 3HD2 LEU 68 3HD2 LEU 68 -1.102 -8.678 -2.903 561 H LYS 69 H LYS 69 2.882 -6.020 -4.402 562 HA LYS 69 HA LYS 69 4.118 -3.814 -3.150 563 1HB LYS 69 2HB LYS 69 5.139 -6.075 -3.900 564 2HB LYS 69 1HB LYS 69 5.361 -5.289 -5.455 565 1HG LYS 69 2HG LYS 69 6.333 -3.752 -3.153 566 2HG LYS 69 1HG LYS 69 7.169 -5.280 -3.437 567 1HD LYS 69 2HD LYS 69 6.937 -4.178 -5.965 568 2HD LYS 69 1HD LYS 69 7.278 -2.787 -4.933 569 1HE LYS 69 2HE LYS 69 8.910 -5.217 -4.488 570 2HE LYS 69 1HE LYS 69 9.192 -4.336 -5.988 571 1HZ LYS 69 1HZ LYS 69 9.590 -2.333 -4.697 572 2HZ LYS 69 2HZ LYS 69 10.643 -3.566 -4.215 573 3HZ LYS 69 3HZ LYS 69 9.307 -3.173 -3.254 574 H ASP 70 H ASP 70 3.095 -4.376 -6.494 575 HA ASP 70 HA ASP 70 4.247 -2.077 -7.629 576 1HB ASP 70 2HB ASP 70 2.179 -4.039 -8.405 577 2HB ASP 70 1HB ASP 70 2.049 -2.466 -9.185 578 H ASN 71 H ASN 71 1.002 -2.617 -6.268 579 HA ASN 71 HA ASN 71 0.014 -0.023 -6.805 580 1HB ASN 71 2HB ASN 71 -0.959 -2.410 -5.626 581 2HB ASN 71 1HB ASN 71 -1.228 -1.113 -4.465 582 1HD2 ASN 71 1HD2 ASN 71 -3.383 -0.890 -4.665 583 2HD2 ASN 71 2HD2 ASN 71 -4.180 -0.411 -6.118 584 H PHE 72 H PHE 72 1.405 -1.432 -3.837 585 HA PHE 72 HA PHE 72 1.202 0.907 -2.273 586 1HB PHE 72 2HB PHE 72 1.884 -1.634 -1.708 587 2HB PHE 72 1HB PHE 72 3.494 -0.931 -1.794 588 HD1 PHE 72 2HD PHE 72 0.205 -0.609 -0.126 589 HD2 PHE 72 1HD PHE 72 4.359 0.309 -0.002 590 HE1 PHE 72 2HE PHE 72 -0.051 0.217 2.175 591 HE2 PHE 72 1HE PHE 72 4.110 1.137 2.303 592 HZ PHE 72 HZ PHE 72 1.903 1.092 3.392 593 H LYS 73 H LYS 73 3.662 -0.287 -4.487 594 HA LYS 73 HA LYS 73 5.655 1.619 -3.879 595 1HB LYS 73 2HB LYS 73 6.135 -0.500 -5.019 596 2HB LYS 73 1HB LYS 73 5.223 0.039 -6.420 597 1HG LYS 73 2HG LYS 73 6.975 1.126 -7.237 598 2HG LYS 73 1HG LYS 73 7.263 1.954 -5.704 599 1HD LYS 73 2HD LYS 73 8.614 0.198 -4.896 600 2HD LYS 73 1HD LYS 73 8.075 -0.906 -6.162 601 1HE LYS 73 2HE LYS 73 9.191 0.511 -7.839 602 2HE LYS 73 1HE LYS 73 9.771 1.559 -6.546 603 1HZ LYS 73 1HZ LYS 73 11.517 0.083 -7.074 604 2HZ LYS 73 2HZ LYS 73 10.503 -1.269 -7.049 605 3HZ LYS 73 3HZ LYS 73 10.877 -0.469 -5.606 606 H LEU 74 H LEU 74 3.216 1.520 -6.519 607 HA LEU 74 HA LEU 74 4.069 3.883 -7.754 608 1HB LEU 74 2HB LEU 74 1.670 4.041 -8.624 609 2HB LEU 74 1HB LEU 74 2.619 2.634 -9.073 610 HG LEU 74 HG LEU 74 1.363 1.645 -6.914 611 1HD1 LEU 74 1HD1 LEU 74 -0.940 3.060 -8.033 612 2HD1 LEU 74 2HD1 LEU 74 0.152 4.065 -7.081 613 3HD1 LEU 74 3HD1 LEU 74 -0.569 2.627 -6.366 614 1HD2 LEU 74 1HD2 LEU 74 -0.406 0.856 -8.602 615 2HD2 LEU 74 2HD2 LEU 74 1.281 0.451 -8.915 616 3HD2 LEU 74 3HD2 LEU 74 0.519 1.779 -9.787 617 H MET 75 H MET 75 1.562 3.470 -5.220 618 HA MET 75 HA MET 75 0.893 6.223 -5.194 619 1HB MET 75 2HB MET 75 -0.333 4.136 -4.129 620 2HB MET 75 1HB MET 75 0.581 4.615 -2.706 621 1HG MET 75 2HG MET 75 -0.680 6.909 -3.927 622 2HG MET 75 1HG MET 75 -1.859 5.644 -3.580 623 1HE MET 75 1HE MET 75 0.195 8.476 -0.812 624 2HE MET 75 2HE MET 75 0.462 8.218 -2.537 625 3HE MET 75 3HE MET 75 1.355 7.262 -1.353 626 H CYS 76 H CYS 76 3.133 4.324 -3.174 627 HA CYS 76 HA CYS 76 3.888 6.402 -1.449 628 1HB CYS 76 2HB CYS 76 5.087 3.806 -2.277 629 2HB CYS 76 1HB CYS 76 6.138 4.963 -1.470 630 HG CYS 76 HG CYS 76 3.606 4.504 0.110 631 H THR 77 H THR 77 5.389 5.301 -4.487 632 HA THR 77 HA THR 77 7.396 7.318 -4.503 633 HB THR 77 HB THR 77 6.317 5.731 -6.843 634 HG1 THR 77 1HG THR 77 8.295 5.108 -4.915 635 1HG2 THR 77 1HG2 THR 77 8.355 6.114 -7.945 636 2HG2 THR 77 2HG2 THR 77 9.090 6.819 -6.505 637 3HG2 THR 77 3HG2 THR 77 7.815 7.688 -7.360 638 H ASN 78 H ASN 78 4.159 7.064 -5.897 639 HA ASN 78 HA ASN 78 4.321 9.414 -7.480 640 1HB ASN 78 2HB ASN 78 2.037 7.730 -6.485 641 2HB ASN 78 1HB ASN 78 1.765 9.206 -7.396 642 1HD2 ASN 78 1HD2 ASN 78 0.874 6.793 -8.358 643 2HD2 ASN 78 2HD2 ASN 78 1.797 6.344 -9.746 644 H ALA 79 H ALA 79 3.407 8.777 -4.149 645 HA ALA 79 HA ALA 79 2.217 11.324 -3.672 646 1HB ALA 79 1HB ALA 79 2.904 8.964 -2.074 647 2HB ALA 79 2HB ALA 79 1.497 10.023 -1.992 648 3HB ALA 79 3HB ALA 79 3.003 10.493 -1.203 649 H MET 80 H MET 80 5.492 10.013 -3.330 650 HA MET 80 HA MET 80 6.473 12.393 -2.039 651 1HB MET 80 2HB MET 80 8.654 11.345 -2.122 652 2HB MET 80 1HB MET 80 7.456 10.184 -1.570 653 1HG MET 80 2HG MET 80 7.836 8.809 -3.279 654 2HG MET 80 1HG MET 80 7.863 10.121 -4.454 655 1HE MET 80 1HE MET 80 10.098 10.261 -5.913 656 2HE MET 80 2HE MET 80 11.427 10.984 -5.007 657 3HE MET 80 3HE MET 80 9.800 11.651 -4.869 658 H ILE 81 H ILE 81 6.292 11.216 -5.352 659 HA ILE 81 HA ILE 81 8.200 13.058 -6.399 660 HB ILE 81 HB ILE 81 7.599 10.997 -7.609 661 1HG1 ILE 81 2HG1 ILE 81 7.222 12.164 -9.887 662 2HG1 ILE 81 1HG1 ILE 81 7.268 13.662 -8.965 663 1HG2 ILE 81 1HG2 ILE 81 5.167 11.089 -7.102 664 2HG2 ILE 81 2HG2 ILE 81 5.541 10.751 -8.790 665 3HG2 ILE 81 3HG2 ILE 81 5.011 12.362 -8.310 666 1HD1 ILE 81 1HD1 ILE 81 9.433 13.228 -9.888 667 2HD1 ILE 81 2HD1 ILE 81 9.456 11.611 -9.184 668 3HD1 ILE 81 3HD1 ILE 81 9.510 13.029 -8.137 669 H TYR 82 H TYR 82 4.606 13.089 -6.262 670 HA TYR 82 HA TYR 82 4.659 15.870 -7.187 671 1HB TYR 82 2HB TYR 82 3.023 14.138 -8.116 672 2HB TYR 82 1HB TYR 82 2.190 14.250 -6.569 673 HD1 TYR 82 1HD TYR 82 3.570 16.610 -9.138 674 HD2 TYR 82 2HD TYR 82 0.357 15.639 -6.522 675 HE1 TYR 82 1HE TYR 82 2.324 18.565 -9.951 676 HE2 TYR 82 2HE TYR 82 -0.893 17.592 -7.333 677 HH TYR 82 HH TYR 82 0.460 20.086 -9.019 678 H ASN 83 H ASN 83 5.738 15.323 -4.607 679 HA ASN 83 HA ASN 83 4.338 17.259 -3.073 680 1HB ASN 83 2HB ASN 83 3.155 14.876 -2.759 681 2HB ASN 83 1HB ASN 83 4.448 14.683 -1.581 682 1HD2 ASN 83 1HD2 ASN 83 1.345 15.486 -1.833 683 2HD2 ASN 83 2HD2 ASN 83 1.195 16.602 -0.523 684 H LYS 84 H LYS 84 6.308 18.282 -2.960 685 HA LYS 84 HA LYS 84 8.720 17.000 -2.173 686 1HB LYS 84 2HB LYS 84 9.610 19.306 -1.948 687 2HB LYS 84 1HB LYS 84 8.799 19.039 -3.483 688 1HG LYS 84 2HG LYS 84 6.765 20.015 -1.952 689 2HG LYS 84 1HG LYS 84 8.156 20.889 -1.309 690 1HD LYS 84 2HD LYS 84 8.600 21.074 -3.987 691 2HD LYS 84 1HD LYS 84 6.837 21.091 -3.927 692 1HE LYS 84 2HE LYS 84 7.616 22.798 -1.878 693 2HE LYS 84 1HE LYS 84 8.740 23.150 -3.190 694 1HZ LYS 84 1HZ LYS 84 5.775 23.187 -3.370 695 2HZ LYS 84 2HZ LYS 84 6.828 23.469 -4.663 696 3HZ LYS 84 3HZ LYS 84 6.790 24.538 -3.353 697 HA PRO 85 HA PRO 85 8.552 16.865 2.224 698 1HB PRO 85 2HB PRO 85 10.919 18.082 2.966 699 2HB PRO 85 1HB PRO 85 10.772 16.401 2.442 700 1HG PRO 85 2HG PRO 85 11.610 18.810 0.882 701 2HG PRO 85 1HG PRO 85 12.270 17.165 0.846 702 1HD PRO 85 2HD PRO 85 10.632 18.055 -1.077 703 2HD PRO 85 1HD PRO 85 10.558 16.374 -0.505 704 H GLU 86 H GLU 86 6.770 18.462 2.037 705 HA GLU 86 HA GLU 86 7.303 21.230 2.583 706 1HB GLU 86 2HB GLU 86 5.029 19.596 1.859 707 2HB GLU 86 1HB GLU 86 4.609 20.692 3.169 708 1HG GLU 86 2HG GLU 86 5.537 22.556 1.777 709 2HG GLU 86 1HG GLU 86 5.676 21.401 0.451 710 H THR 87 H THR 87 5.531 18.740 4.437 711 HA THR 87 HA THR 87 6.654 19.846 6.904 712 HB THR 87 HB THR 87 4.403 19.747 7.983 713 HG1 THR 87 1HG THR 87 3.574 19.244 5.320 714 1HG2 THR 87 1HG2 THR 87 4.055 21.891 7.558 715 2HG2 THR 87 2HG2 THR 87 3.746 21.586 5.848 716 3HG2 THR 87 3HG2 THR 87 5.401 21.783 6.425 717 H ILE 88 H ILE 88 4.000 17.536 6.512 718 HA ILE 88 HA ILE 88 5.780 15.415 7.519 719 HB ILE 88 HB ILE 88 2.837 15.598 8.148 720 1HG1 ILE 88 2HG1 ILE 88 4.047 16.125 10.519 721 2HG1 ILE 88 1HG1 ILE 88 5.160 16.931 9.419 722 1HG2 ILE 88 1HG2 ILE 88 4.806 13.583 8.485 723 2HG2 ILE 88 2HG2 ILE 88 3.117 13.566 8.991 724 3HG2 ILE 88 3HG2 ILE 88 4.358 14.182 10.082 725 1HD1 ILE 88 1HD1 ILE 88 3.228 18.178 8.482 726 2HD1 ILE 88 2HD1 ILE 88 3.546 18.514 10.183 727 3HD1 ILE 88 3HD1 ILE 88 2.214 17.453 9.728 728 H TYR 89 H TYR 89 3.842 16.363 4.928 729 HA TYR 89 HA TYR 89 2.544 13.999 4.186 730 1HB TYR 89 2HB TYR 89 3.506 16.414 2.707 731 2HB TYR 89 1HB TYR 89 2.982 15.013 1.779 732 HD1 TYR 89 2HD TYR 89 1.895 17.582 4.200 733 HD2 TYR 89 1HD TYR 89 0.673 14.450 1.593 734 HE1 TYR 89 2HE TYR 89 -0.445 18.297 4.446 735 HE2 TYR 89 1HE TYR 89 -1.669 15.156 1.831 736 HH TYR 89 HH TYR 89 -2.580 18.109 3.102 737 H TYR 90 H TYR 90 5.798 15.183 3.360 738 HA TYR 90 HA TYR 90 6.513 12.975 1.742 739 1HB TYR 90 2HB TYR 90 7.693 15.183 1.751 740 2HB TYR 90 1HB TYR 90 8.385 14.760 3.314 741 HD1 TYR 90 2HD TYR 90 8.445 14.090 -0.290 742 HD2 TYR 90 1HD TYR 90 10.130 13.072 3.484 743 HE1 TYR 90 2HE TYR 90 10.296 12.939 -1.430 744 HE2 TYR 90 1HE TYR 90 11.983 11.923 2.354 745 HH TYR 90 HH TYR 90 11.999 10.834 -0.507 746 H LYS 91 H LYS 91 7.180 13.707 5.166 747 HA LYS 91 HA LYS 91 8.646 11.387 5.742 748 1HB LYS 91 2HB LYS 91 7.152 13.393 7.355 749 2HB LYS 91 1HB LYS 91 7.560 11.871 8.135 750 1HG LYS 91 2HG LYS 91 9.948 12.318 7.313 751 2HG LYS 91 1HG LYS 91 9.391 13.971 7.042 752 1HD LYS 91 2HD LYS 91 8.539 13.832 9.480 753 2HD LYS 91 1HD LYS 91 9.633 12.454 9.617 754 1HE LYS 91 2HE LYS 91 11.197 13.971 10.132 755 2HE LYS 91 1HE LYS 91 11.212 14.333 8.407 756 1HZ LYS 91 1HZ LYS 91 9.958 15.828 10.605 757 2HZ LYS 91 2HZ LYS 91 9.285 15.933 9.056 758 3HZ LYS 91 3HZ LYS 91 10.891 16.398 9.313 759 H ALA 92 H ALA 92 5.157 12.021 5.847 760 HA ALA 92 HA ALA 92 4.308 9.660 7.069 761 1HB ALA 92 1HB ALA 92 2.718 11.388 6.790 762 2HB ALA 92 2HB ALA 92 2.164 10.057 5.775 763 3HB ALA 92 3HB ALA 92 2.972 11.444 5.045 764 H ALA 93 H ALA 93 4.817 10.363 3.613 765 HA ALA 93 HA ALA 93 4.043 7.810 2.669 766 1HB ALA 93 1HB ALA 93 4.832 8.486 0.562 767 2HB ALA 93 2HB ALA 93 5.997 9.610 1.262 768 3HB ALA 93 3HB ALA 93 4.272 9.970 1.333 769 H LYS 94 H LYS 94 7.188 9.173 3.583 770 HA LYS 94 HA LYS 94 8.761 6.980 2.759 771 1HB LYS 94 2HB LYS 94 9.325 9.463 3.665 772 2HB LYS 94 1HB LYS 94 9.679 8.526 5.109 773 1HG LYS 94 2HG LYS 94 11.450 7.442 4.143 774 2HG LYS 94 1HG LYS 94 10.812 7.630 2.508 775 1HD LYS 94 2HD LYS 94 11.393 9.956 2.482 776 2HD LYS 94 1HD LYS 94 11.845 9.912 4.186 777 1HE LYS 94 2HE LYS 94 13.927 9.649 3.376 778 2HE LYS 94 1HE LYS 94 13.440 7.965 3.197 779 1HZ LYS 94 1HZ LYS 94 13.743 10.041 1.144 780 2HZ LYS 94 2HZ LYS 94 12.599 8.821 0.891 781 3HZ LYS 94 3HZ LYS 94 14.226 8.420 1.116 782 H LYS 95 H LYS 95 7.381 7.814 5.942 783 HA LYS 95 HA LYS 95 8.417 5.604 7.342 784 1HB LYS 95 2HB LYS 95 5.889 7.176 7.877 785 2HB LYS 95 1HB LYS 95 6.656 6.076 9.012 786 1HG LYS 95 2HG LYS 95 8.494 8.089 8.010 787 2HG LYS 95 1HG LYS 95 7.087 8.789 8.814 788 1HD LYS 95 2HD LYS 95 7.591 7.801 10.842 789 2HD LYS 95 1HD LYS 95 8.551 6.521 10.097 790 1HE LYS 95 2HE LYS 95 10.431 7.762 10.093 791 2HE LYS 95 1HE LYS 95 9.574 9.239 9.663 792 1HZ LYS 95 1HZ LYS 95 10.213 8.162 12.298 793 2HZ LYS 95 2HZ LYS 95 8.728 8.957 12.144 794 3HZ LYS 95 3HZ LYS 95 10.163 9.768 11.768 795 H LEU 96 H LEU 96 5.329 6.049 5.635 796 HA LEU 96 HA LEU 96 4.209 3.551 6.311 797 1HB LEU 96 2HB LEU 96 3.569 5.760 4.561 798 2HB LEU 96 1HB LEU 96 3.240 4.234 3.764 799 HG LEU 96 HG LEU 96 1.278 5.198 4.951 800 1HD1 LEU 96 1HD1 LEU 96 1.815 2.712 6.440 801 2HD1 LEU 96 2HD1 LEU 96 1.979 2.620 4.687 802 3HD1 LEU 96 3HD1 LEU 96 0.458 3.150 5.403 803 1HD2 LEU 96 1HD2 LEU 96 1.229 5.658 7.162 804 2HD2 LEU 96 2HD2 LEU 96 2.965 5.861 6.930 805 3HD2 LEU 96 3HD2 LEU 96 2.333 4.347 7.574 806 H LEU 97 H LEU 97 6.416 4.538 3.747 807 HA LEU 97 HA LEU 97 6.245 2.220 2.152 808 1HB LEU 97 2HB LEU 97 7.564 4.606 1.962 809 2HB LEU 97 1HB LEU 97 8.889 3.510 2.301 810 HG LEU 97 HG LEU 97 6.929 2.974 0.083 811 1HD1 LEU 97 1HD1 LEU 97 9.563 4.387 -0.253 812 2HD1 LEU 97 2HD1 LEU 97 8.023 5.237 -0.142 813 3HD1 LEU 97 3HD1 LEU 97 8.312 4.106 -1.465 814 1HD2 LEU 97 1HD2 LEU 97 9.763 2.169 -0.054 815 2HD2 LEU 97 2HD2 LEU 97 8.307 1.294 -0.529 816 3HD2 LEU 97 3HD2 LEU 97 8.784 1.355 1.167 817 H HIS 98 H HIS 98 8.425 3.074 4.837 818 HA HIS 98 HA HIS 98 10.003 0.750 4.751 819 1HB HIS 98 2HB HIS 98 9.942 3.057 6.298 820 2HB HIS 98 1HB HIS 98 9.611 1.770 7.452 821 HD1 HIS 98 1HD HIS 98 11.499 0.043 7.877 822 HD2 HIS 98 2HD HIS 98 12.526 3.083 5.239 823 HE1 HIS 98 1HE HIS 98 13.997 -0.098 7.629 824 HE2 HIS 98 2HE HIS 98 14.606 1.805 6.094 825 H SER 99 H SER 99 7.039 1.492 6.560 826 HA SER 99 HA SER 99 6.890 -0.939 7.989 827 1HB SER 99 2HB SER 99 4.738 1.018 7.150 828 2HB SER 99 1HB SER 99 4.432 -0.372 8.190 829 HG SER 99 HG SER 99 5.050 1.883 9.079 830 H GLY 100 H GLY 100 5.643 0.068 4.826 831 1HA GLY 100 2HA GLY 100 4.121 -2.229 4.255 832 2HA GLY 100 1HA GLY 100 4.789 -1.123 3.065 833 H MET 101 H MET 101 7.561 -1.559 3.856 834 HA MET 101 HA MET 101 8.105 -3.826 2.222 835 1HB MET 101 2HB MET 101 9.748 -1.865 3.764 836 2HB MET 101 1HB MET 101 10.509 -3.362 3.248 837 1HG MET 101 2HG MET 101 9.696 -2.814 0.917 838 2HG MET 101 1HG MET 101 9.298 -1.215 1.539 839 1HE MET 101 1HE MET 101 11.993 0.655 2.240 840 2HE MET 101 2HE MET 101 12.659 -0.565 3.325 841 3HE MET 101 3HE MET 101 10.919 -0.279 3.281 842 H LYS 102 H LYS 102 8.229 -3.230 5.715 843 HA LYS 102 HA LYS 102 9.374 -5.747 6.373 844 1HB LYS 102 2HB LYS 102 7.764 -3.850 8.086 845 2HB LYS 102 1HB LYS 102 8.686 -5.223 8.686 846 1HG LYS 102 2HG LYS 102 10.613 -4.103 8.620 847 2HG LYS 102 1HG LYS 102 10.264 -3.412 7.035 848 1HD LYS 102 2HD LYS 102 10.248 -1.514 8.318 849 2HD LYS 102 1HD LYS 102 8.544 -1.969 8.408 850 1HE LYS 102 2HE LYS 102 10.396 -3.078 10.452 851 2HE LYS 102 1HE LYS 102 9.963 -1.375 10.573 852 1HZ LYS 102 1HZ LYS 102 8.416 -2.607 11.857 853 2HZ LYS 102 2HZ LYS 102 8.126 -3.705 10.604 854 3HZ LYS 102 3HZ LYS 102 7.594 -2.105 10.466 855 H ILE 103 H ILE 103 6.005 -4.550 6.426 856 HA ILE 103 HA ILE 103 4.837 -6.894 7.416 857 HB ILE 103 HB ILE 103 2.740 -6.073 6.320 858 1HG1 ILE 103 2HG1 ILE 103 3.355 -3.433 5.744 859 2HG1 ILE 103 1HG1 ILE 103 4.659 -4.339 4.988 860 1HG2 ILE 103 1HG2 ILE 103 2.353 -4.485 7.957 861 2HG2 ILE 103 2HG2 ILE 103 4.000 -3.859 7.876 862 3HG2 ILE 103 3HG2 ILE 103 3.688 -5.426 8.623 863 1HD1 ILE 103 1HD1 ILE 103 2.894 -3.987 3.405 864 2HD1 ILE 103 2HD1 ILE 103 1.712 -4.692 4.507 865 3HD1 ILE 103 3HD1 ILE 103 2.978 -5.701 3.807 866 H LEU 104 H LEU 104 5.577 -5.905 4.089 867 HA LEU 104 HA LEU 104 4.265 -8.046 2.803 868 1HB LEU 104 2HB LEU 104 6.024 -5.881 2.059 869 2HB LEU 104 1HB LEU 104 6.470 -7.351 1.218 870 HG LEU 104 HG LEU 104 3.701 -7.240 0.954 871 1HD1 LEU 104 1HD1 LEU 104 4.776 -4.528 0.250 872 2HD1 LEU 104 2HD1 LEU 104 3.984 -4.850 1.793 873 3HD1 LEU 104 3HD1 LEU 104 3.101 -5.079 0.284 874 1HD2 LEU 104 1HD2 LEU 104 5.797 -7.698 -0.642 875 2HD2 LEU 104 2HD2 LEU 104 5.368 -6.080 -1.198 876 3HD2 LEU 104 3HD2 LEU 104 4.176 -7.377 -1.257 877 H SER 105 H SER 105 7.385 -7.820 4.375 878 HA SER 105 HA SER 105 8.735 -9.954 3.216 879 1HB SER 105 2HB SER 105 9.768 -8.386 4.825 880 2HB SER 105 1HB SER 105 8.825 -9.113 6.125 881 HG SER 105 HG SER 105 10.635 -10.565 4.491 882 H GLN 106 H GLN 106 6.170 -9.957 5.619 883 HA GLN 106 HA GLN 106 6.427 -12.623 6.486 884 1HB GLN 106 2HB GLN 106 4.210 -10.613 6.505 885 2HB GLN 106 1HB GLN 106 3.853 -12.284 6.919 886 1HG GLN 106 2HG GLN 106 4.256 -11.076 8.933 887 2HG GLN 106 1HG GLN 106 5.608 -12.174 8.665 888 1HE2 GLN 106 1HE2 GLN 106 4.632 -8.924 9.079 889 2HE2 GLN 106 2HE2 GLN 106 6.189 -8.197 8.912 890 H GLU 107 H GLU 107 4.562 -11.173 3.835 891 HA GLU 107 HA GLU 107 3.263 -13.555 3.023 892 1HB GLU 107 2HB GLU 107 3.756 -10.880 1.794 893 2HB GLU 107 1HB GLU 107 3.227 -12.191 0.748 894 1HG GLU 107 2HG GLU 107 1.626 -12.036 3.150 895 2HG GLU 107 1HG GLU 107 1.629 -10.513 2.263 896 H ARG 108 H ARG 108 6.399 -12.147 2.244 897 HA ARG 108 HA ARG 108 6.904 -14.231 0.259 898 1HB ARG 108 2HB ARG 108 7.679 -11.542 0.480 899 2HB ARG 108 1HB ARG 108 9.146 -12.472 0.746 900 1HG ARG 108 2HG ARG 108 8.531 -13.739 -1.379 901 2HG ARG 108 1HG ARG 108 7.366 -12.445 -1.666 902 1HD ARG 108 2HD ARG 108 9.254 -10.815 -1.451 903 2HD ARG 108 1HD ARG 108 10.356 -12.188 -1.387 904 HE ARG 108 HE ARG 108 8.657 -12.265 -3.685 905 1HH1 ARG 108 1HH1 ARG 108 11.589 -10.833 -2.404 906 2HH1 ARG 108 2HH1 ARG 108 12.289 -10.570 -3.965 907 1HH2 ARG 108 1HH2 ARG 108 9.586 -11.909 -5.742 908 2HH2 ARG 108 2HH2 ARG 108 11.151 -11.179 -5.859 909 H LEU 109 H LEU 109 7.039 -16.019 1.663 910 HA LEU 109 HA LEU 109 9.638 -16.630 2.585 911 1HB LEU 109 2HB LEU 109 8.688 -15.079 4.416 912 2HB LEU 109 1HB LEU 109 7.667 -16.437 4.847 913 HG LEU 109 HG LEU 109 10.597 -16.928 4.657 914 1HD1 LEU 109 1HD1 LEU 109 11.209 -15.825 6.540 915 2HD1 LEU 109 2HD1 LEU 109 9.596 -15.909 7.250 916 3HD1 LEU 109 3HD1 LEU 109 9.946 -14.723 5.992 917 1HD2 LEU 109 1HD2 LEU 109 8.265 -17.977 6.208 918 2HD2 LEU 109 2HD2 LEU 109 9.909 -18.229 6.796 919 3HD2 LEU 109 3HD2 LEU 109 9.433 -18.846 5.215 920 H GLU 110 H GLU 110 6.195 -17.358 3.093 921 HA GLU 110 HA GLU 110 6.557 -20.129 3.588 922 1HB GLU 110 2HB GLU 110 4.071 -18.760 2.549 923 2HB GLU 110 1HB GLU 110 4.157 -20.308 3.380 924 1HG GLU 110 2HG GLU 110 4.339 -19.360 5.425 925 2HG GLU 110 1HG GLU 110 5.235 -17.967 4.826 926 H HIS 111 H HIS 111 5.928 -21.908 2.236 927 HA HIS 111 HA HIS 111 6.478 -21.394 -0.603 928 1HB HIS 111 2HB HIS 111 7.271 -23.490 1.258 929 2HB HIS 111 1HB HIS 111 6.586 -24.146 -0.224 930 HD1 HIS 111 1HD HIS 111 8.603 -20.979 -0.235 931 HD2 HIS 111 2HD HIS 111 9.036 -24.996 -1.214 932 HE1 HIS 111 1HE HIS 111 10.766 -21.131 -1.506 933 HE2 HIS 111 2HE HIS 111 10.975 -23.559 -2.145 934 H HIS 112 H HIS 112 4.332 -20.748 -1.076 935 HA HIS 112 HA HIS 112 2.465 -23.014 -1.311 936 1HB HIS 112 2HB HIS 112 1.999 -20.980 0.408 937 2HB HIS 112 1HB HIS 112 1.282 -20.306 -1.049 938 HD1 HIS 112 1HD HIS 112 -0.589 -21.940 -2.206 939 HD2 HIS 112 2HD HIS 112 0.370 -22.667 1.773 940 HE1 HIS 112 1HE HIS 112 -2.496 -23.302 -1.291 941 HE2 HIS 112 2HE HIS 112 -1.858 -23.795 1.095 942 H HIS 113 H HIS 113 3.253 -19.757 -2.510 943 HA HIS 113 HA HIS 113 1.772 -19.956 -4.906 944 1HB HIS 113 2HB HIS 113 3.160 -18.014 -5.657 945 2HB HIS 113 1HB HIS 113 2.401 -17.778 -4.088 946 HD1 HIS 113 1HD HIS 113 5.732 -18.166 -5.728 947 HD2 HIS 113 2HD HIS 113 4.178 -17.625 -1.913 948 HE1 HIS 113 1HE HIS 113 7.699 -17.564 -4.279 949 HE2 HIS 113 2HE HIS 113 6.751 -17.391 -1.951 950 H HIS 114 H HIS 114 2.229 -20.823 -6.843 951 HA HIS 114 HA HIS 114 4.548 -22.509 -7.100 952 1HB HIS 114 2HB HIS 114 2.017 -22.110 -8.545 953 2HB HIS 114 1HB HIS 114 3.378 -22.539 -9.573 954 HD1 HIS 114 1HD HIS 114 3.218 -23.959 -6.119 955 HD2 HIS 114 2HD HIS 114 2.282 -25.091 -10.008 956 HE1 HIS 114 1HE HIS 114 2.807 -26.437 -6.020 957 HE2 HIS 114 2HE HIS 114 2.120 -27.074 -8.357 958 H HIS 115 H HIS 115 3.689 -19.301 -8.102 959 HA HIS 115 HA HIS 115 4.845 -17.659 -9.149 960 1HB HIS 115 2HB HIS 115 6.748 -18.781 -7.747 961 2HB HIS 115 1HB HIS 115 7.298 -19.379 -9.309 962 HD1 HIS 115 1HD HIS 115 8.558 -17.100 -7.288 963 HD2 HIS 115 2HD HIS 115 6.796 -16.582 -11.016 964 HE1 HIS 115 1HE HIS 115 9.469 -14.928 -8.168 965 HE2 HIS 115 2HE HIS 115 8.444 -14.670 -10.455 966 H HIS 116 H HIS 116 3.474 -18.020 -10.974 967 HA HIS 116 HA HIS 116 4.798 -19.372 -13.230 968 1HB HIS 116 2HB HIS 116 2.555 -20.260 -12.534 969 2HB HIS 116 1HB HIS 116 1.859 -18.701 -12.963 970 HD1 HIS 116 1HD HIS 116 4.465 -20.447 -15.063 971 HD2 HIS 116 2HD HIS 116 0.394 -19.608 -15.116 972 HE1 HIS 116 1HE HIS 116 3.672 -21.103 -17.356 973 HE2 HIS 116 2HE HIS 116 1.197 -20.629 -17.351 Start of MODEL 19 1 1H MET 0 1HT MET 0 -7.431 -27.147 -10.192 2 2H MET 0 2HT MET 0 -7.843 -26.050 -8.938 3 3H MET 0 3HT MET 0 -6.510 -27.115 -8.747 4 HA MET 0 HA MET 0 -5.481 -26.027 -10.687 5 1HB MET 0 2HB MET 0 -7.920 -25.014 -11.131 6 2HB MET 0 1HB MET 0 -7.266 -23.697 -10.169 7 1HG MET 0 2HG MET 0 -5.539 -24.661 -12.351 8 2HG MET 0 1HG MET 0 -7.040 -23.880 -12.843 9 1HE MET 0 1HE MET 0 -7.110 -20.549 -11.882 10 2HE MET 0 2HE MET 0 -6.841 -21.073 -10.220 11 3HE MET 0 3HE MET 0 -7.873 -22.024 -11.288 12 H GLU 1 H GLU 1 -4.181 -23.975 -10.331 13 HA GLU 1 HA GLU 1 -3.241 -23.955 -7.638 14 1HB GLU 1 2HB GLU 1 -2.457 -22.614 -10.183 15 2HB GLU 1 1HB GLU 1 -1.893 -21.907 -8.674 16 1HG GLU 1 2HG GLU 1 -1.470 -24.728 -8.600 17 2HG GLU 1 1HG GLU 1 -0.806 -24.076 -10.098 18 H GLU 2 H GLU 2 -5.245 -23.325 -6.611 19 HA GLU 2 HA GLU 2 -5.292 -20.504 -6.068 20 1HB GLU 2 2HB GLU 2 -7.144 -21.608 -7.970 21 2HB GLU 2 1HB GLU 2 -8.022 -21.030 -6.559 22 1HG GLU 2 2HG GLU 2 -5.978 -19.350 -7.976 23 2HG GLU 2 1HG GLU 2 -7.667 -19.398 -8.474 24 H VAL 3 H VAL 3 -4.801 -22.960 -4.612 25 HA VAL 3 HA VAL 3 -7.012 -22.880 -2.668 26 HB VAL 3 HB VAL 3 -6.686 -25.097 -3.672 27 1HG1 VAL 3 1HG1 VAL 3 -4.665 -26.396 -3.227 28 2HG1 VAL 3 2HG1 VAL 3 -3.929 -24.993 -2.453 29 3HG1 VAL 3 3HG1 VAL 3 -4.305 -24.954 -4.176 30 1HG2 VAL 3 1HG2 VAL 3 -7.590 -25.125 -1.497 31 2HG2 VAL 3 2HG2 VAL 3 -6.024 -24.791 -0.756 32 3HG2 VAL 3 3HG2 VAL 3 -6.330 -26.359 -1.504 33 H GLU 4 H GLU 4 -3.506 -22.820 -3.076 34 HA GLU 4 HA GLU 4 -3.113 -22.263 -0.236 35 1HB GLU 4 2HB GLU 4 -1.641 -23.736 -1.987 36 2HB GLU 4 1HB GLU 4 -0.788 -22.200 -2.051 37 1HG GLU 4 2HG GLU 4 -1.091 -22.519 0.624 38 2HG GLU 4 1HG GLU 4 -0.940 -24.192 0.093 39 H GLN 5 H GLN 5 -3.814 -20.489 -2.962 40 HA GLN 5 HA GLN 5 -2.106 -18.222 -2.318 41 1HB GLN 5 2HB GLN 5 -3.996 -18.857 -4.561 42 2HB GLN 5 1HB GLN 5 -3.441 -17.208 -4.299 43 1HG GLN 5 2HG GLN 5 -1.607 -17.663 -5.431 44 2HG GLN 5 1HG GLN 5 -1.162 -18.848 -4.206 45 1HE2 GLN 5 1HE2 GLN 5 -2.232 -21.021 -4.477 46 2HE2 GLN 5 2HE2 GLN 5 -2.344 -21.635 -6.087 47 H THR 6 H THR 6 -5.375 -19.290 -1.852 48 HA THR 6 HA THR 6 -6.740 -16.917 -1.477 49 HB THR 6 HB THR 6 -7.316 -19.087 0.467 50 HG1 THR 6 1HG THR 6 -7.612 -19.471 -2.333 51 1HG2 THR 6 1HG2 THR 6 -9.476 -18.536 0.171 52 2HG2 THR 6 2HG2 THR 6 -9.279 -18.216 -1.552 53 3HG2 THR 6 3HG2 THR 6 -8.770 -17.014 -0.367 54 HA PRO 7 HA PRO 7 -5.184 -17.265 3.278 55 1HB PRO 7 2HB PRO 7 -2.422 -18.038 2.443 56 2HB PRO 7 1HB PRO 7 -3.301 -18.432 3.920 57 1HG PRO 7 2HG PRO 7 -3.034 -20.249 2.018 58 2HG PRO 7 1HG PRO 7 -4.576 -20.077 2.878 59 1HD PRO 7 2HD PRO 7 -3.824 -19.181 0.132 60 2HD PRO 7 1HD PRO 7 -5.372 -19.819 0.727 61 H LEU 8 H LEU 8 -3.232 -16.306 0.482 62 HA LEU 8 HA LEU 8 -1.737 -14.252 1.635 63 1HB LEU 8 2HB LEU 8 -2.768 -14.682 -1.154 64 2HB LEU 8 1HB LEU 8 -1.856 -13.245 -0.743 65 HG LEU 8 HG LEU 8 -0.672 -15.897 -0.068 66 1HD1 LEU 8 1HD1 LEU 8 -1.044 -14.801 -2.825 67 2HD1 LEU 8 2HD1 LEU 8 -1.194 -16.460 -2.249 68 3HD1 LEU 8 3HD1 LEU 8 0.401 -15.730 -2.421 69 1HD2 LEU 8 1HD2 LEU 8 0.607 -14.085 0.670 70 2HD2 LEU 8 2HD2 LEU 8 0.319 -13.162 -0.804 71 3HD2 LEU 8 3HD2 LEU 8 1.379 -14.571 -0.840 72 H GLN 9 H GLN 9 -5.017 -14.196 0.286 73 HA GLN 9 HA GLN 9 -5.476 -11.439 0.387 74 1HB GLN 9 2HB GLN 9 -6.930 -13.444 -0.527 75 2HB GLN 9 1HB GLN 9 -7.677 -13.349 1.061 76 1HG GLN 9 2HG GLN 9 -7.660 -10.730 0.251 77 2HG GLN 9 1HG GLN 9 -7.952 -11.599 -1.252 78 1HE2 GLN 9 1HE2 GLN 9 -10.041 -10.563 -1.219 79 2HE2 GLN 9 2HE2 GLN 9 -11.316 -11.235 -0.264 80 H GLU 10 H GLU 10 -5.703 -13.910 2.903 81 HA GLU 10 HA GLU 10 -6.989 -12.364 4.871 82 1HB GLU 10 2HB GLU 10 -6.647 -14.858 4.933 83 2HB GLU 10 1HB GLU 10 -4.968 -14.558 5.359 84 1HG GLU 10 2HG GLU 10 -5.906 -14.906 7.419 85 2HG GLU 10 1HG GLU 10 -5.993 -13.148 7.291 86 H ALA 11 H ALA 11 -3.544 -12.913 4.196 87 HA ALA 11 HA ALA 11 -2.529 -11.341 6.306 88 1HB ALA 11 1HB ALA 11 -0.700 -12.379 5.553 89 2HB ALA 11 2HB ALA 11 -0.647 -11.185 4.257 90 3HB ALA 11 3HB ALA 11 -1.459 -12.728 3.999 91 H LEU 12 H LEU 12 -3.511 -10.549 3.011 92 HA LEU 12 HA LEU 12 -2.445 -7.962 2.864 93 1HB LEU 12 2HB LEU 12 -4.510 -9.503 1.424 94 2HB LEU 12 1HB LEU 12 -4.658 -7.759 1.316 95 HG LEU 12 HG LEU 12 -2.465 -7.564 0.340 96 1HD1 LEU 12 1HD1 LEU 12 -0.916 -9.031 0.973 97 2HD1 LEU 12 2HD1 LEU 12 -1.602 -10.127 -0.227 98 3HD1 LEU 12 3HD1 LEU 12 -2.123 -10.219 1.453 99 1HD2 LEU 12 1HD2 LEU 12 -4.625 -8.663 -0.902 100 2HD2 LEU 12 2HD2 LEU 12 -3.367 -9.847 -1.261 101 3HD2 LEU 12 3HD2 LEU 12 -3.143 -8.158 -1.713 102 H ASN 13 H ASN 13 -5.679 -9.035 3.963 103 HA ASN 13 HA ASN 13 -6.616 -6.405 4.461 104 1HB ASN 13 2HB ASN 13 -8.536 -7.377 5.451 105 2HB ASN 13 1HB ASN 13 -8.072 -8.445 4.136 106 1HD2 ASN 13 1HD2 ASN 13 -8.165 -10.523 4.604 107 2HD2 ASN 13 2HD2 ASN 13 -7.987 -11.223 6.175 108 H GLN 14 H GLN 14 -4.872 -8.728 6.456 109 HA GLN 14 HA GLN 14 -5.270 -7.365 8.921 110 1HB GLN 14 2HB GLN 14 -4.029 -9.758 8.104 111 2HB GLN 14 1HB GLN 14 -2.763 -8.802 8.861 112 1HG GLN 14 2HG GLN 14 -3.535 -9.272 10.878 113 2HG GLN 14 1HG GLN 14 -5.142 -8.688 10.456 114 1HE2 GLN 14 1HE2 GLN 14 -6.709 -10.147 9.772 115 2HE2 GLN 14 2HE2 GLN 14 -6.531 -11.853 9.975 116 H LEU 15 H LEU 15 -2.623 -7.314 6.535 117 HA LEU 15 HA LEU 15 -1.075 -5.421 8.005 118 1HB LEU 15 2HB LEU 15 -0.937 -6.107 5.069 119 2HB LEU 15 1HB LEU 15 0.280 -5.232 5.980 120 HG LEU 15 HG LEU 15 -0.512 -8.105 6.447 121 1HD1 LEU 15 1HD1 LEU 15 0.671 -7.884 4.368 122 2HD1 LEU 15 2HD1 LEU 15 1.755 -8.577 5.574 123 3HD1 LEU 15 3HD1 LEU 15 1.902 -6.878 5.130 124 1HD2 LEU 15 1HD2 LEU 15 0.792 -6.218 8.129 125 2HD2 LEU 15 2HD2 LEU 15 1.983 -7.408 7.604 126 3HD2 LEU 15 3HD2 LEU 15 0.507 -7.934 8.412 127 H MET 16 H MET 16 -3.593 -5.174 5.562 128 HA MET 16 HA MET 16 -3.195 -2.472 4.852 129 1HB MET 16 2HB MET 16 -5.468 -4.396 4.640 130 2HB MET 16 1HB MET 16 -5.814 -2.684 4.432 131 1HG MET 16 2HG MET 16 -3.784 -4.246 2.854 132 2HG MET 16 1HG MET 16 -5.410 -3.839 2.309 133 1HE MET 16 1HE MET 16 -1.785 -2.178 1.396 134 2HE MET 16 2HE MET 16 -1.998 -3.143 2.857 135 3HE MET 16 3HE MET 16 -1.758 -1.399 2.977 136 H ARG 17 H ARG 17 -5.229 -3.989 7.348 137 HA ARG 17 HA ARG 17 -6.373 -1.578 8.289 138 1HB ARG 17 2HB ARG 17 -7.031 -2.879 10.273 139 2HB ARG 17 1HB ARG 17 -7.406 -3.723 8.780 140 1HG ARG 17 2HG ARG 17 -5.724 -5.300 9.107 141 2HG ARG 17 1HG ARG 17 -4.880 -4.296 10.284 142 1HD ARG 17 2HD ARG 17 -6.053 -6.199 11.321 143 2HD ARG 17 1HD ARG 17 -6.636 -4.638 11.899 144 HE ARG 17 HE ARG 17 -8.170 -5.689 9.710 145 1HH1 ARG 17 1HH1 ARG 17 -7.749 -5.762 13.184 146 2HH1 ARG 17 2HH1 ARG 17 -9.388 -6.222 13.500 147 1HH2 ARG 17 1HH2 ARG 17 -10.335 -6.294 10.129 148 2HH2 ARG 17 2HH2 ARG 17 -10.856 -6.526 11.764 149 H GLN 18 H GLN 18 -3.462 -3.369 9.208 150 HA GLN 18 HA GLN 18 -2.829 -1.803 11.481 151 1HB GLN 18 2HB GLN 18 -1.468 -3.844 9.840 152 2HB GLN 18 1HB GLN 18 -0.398 -2.708 10.649 153 1HG GLN 18 2HG GLN 18 -0.633 -3.792 12.558 154 2HG GLN 18 1HG GLN 18 -2.381 -3.575 12.502 155 1HE2 GLN 18 1HE2 GLN 18 0.237 -5.624 11.290 156 2HE2 GLN 18 2HE2 GLN 18 -0.699 -7.074 11.217 157 H LEU 19 H LEU 19 -1.801 -1.610 8.079 158 HA LEU 19 HA LEU 19 0.019 0.500 8.348 159 1HB LEU 19 2HB LEU 19 -1.320 -0.883 6.191 160 2HB LEU 19 1HB LEU 19 -1.240 0.836 5.860 161 HG LEU 19 HG LEU 19 1.169 -0.827 6.582 162 1HD1 LEU 19 1HD1 LEU 19 0.320 -1.693 4.522 163 2HD1 LEU 19 2HD1 LEU 19 1.706 -0.666 4.153 164 3HD1 LEU 19 3HD1 LEU 19 0.068 -0.068 3.884 165 1HD2 LEU 19 1HD2 LEU 19 1.678 1.402 7.037 166 2HD2 LEU 19 2HD2 LEU 19 0.741 1.995 5.667 167 3HD2 LEU 19 3HD2 LEU 19 2.275 1.167 5.394 168 H GLN 20 H GLN 20 -3.474 0.558 7.661 169 HA GLN 20 HA GLN 20 -3.707 3.349 7.383 170 1HB GLN 20 2HB GLN 20 -5.619 1.118 7.924 171 2HB GLN 20 1HB GLN 20 -6.174 2.772 8.147 172 1HG GLN 20 2HG GLN 20 -5.734 3.305 5.864 173 2HG GLN 20 1HG GLN 20 -4.920 1.765 5.604 174 1HE2 GLN 20 1HE2 GLN 20 -7.582 3.312 4.792 175 2HE2 GLN 20 2HE2 GLN 20 -8.723 2.017 4.732 176 H ARG 21 H ARG 21 -3.890 1.250 10.218 177 HA ARG 21 HA ARG 21 -4.827 3.199 12.040 178 1HB ARG 21 2HB ARG 21 -3.380 0.589 12.379 179 2HB ARG 21 1HB ARG 21 -3.753 1.609 13.760 180 1HG ARG 21 2HG ARG 21 -6.030 1.104 11.991 181 2HG ARG 21 1HG ARG 21 -5.367 -0.335 12.765 182 1HD ARG 21 2HD ARG 21 -6.686 0.238 14.486 183 2HD ARG 21 1HD ARG 21 -5.427 1.417 14.848 184 HE ARG 21 HE ARG 21 -7.029 2.744 13.122 185 1HH1 ARG 21 1HH1 ARG 21 -7.670 1.012 16.102 186 2HH1 ARG 21 2HH1 ARG 21 -9.037 1.988 16.517 187 1HH2 ARG 21 1HH2 ARG 21 -8.831 4.029 13.684 188 2HH2 ARG 21 2HH2 ARG 21 -9.696 3.698 15.146 189 H LYS 22 H LYS 22 -1.733 2.815 10.595 190 HA LYS 22 HA LYS 22 0.030 3.629 12.552 191 1HB LYS 22 2HB LYS 22 -0.030 3.990 9.585 192 2HB LYS 22 1HB LYS 22 1.191 4.844 10.517 193 1HG LYS 22 2HG LYS 22 0.793 1.898 10.842 194 2HG LYS 22 1HG LYS 22 1.776 2.553 9.531 195 1HD LYS 22 2HD LYS 22 3.448 2.442 11.031 196 2HD LYS 22 1HD LYS 22 2.748 3.937 11.657 197 1HE LYS 22 2HE LYS 22 1.238 2.073 12.933 198 2HE LYS 22 1HE LYS 22 2.778 1.228 12.804 199 1HZ LYS 22 1HZ LYS 22 3.803 3.291 13.781 200 2HZ LYS 22 2HZ LYS 22 2.822 2.399 14.830 201 3HZ LYS 22 3HZ LYS 22 2.234 3.823 14.130 202 H ASP 23 H ASP 23 -1.105 5.931 10.075 203 HA ASP 23 HA ASP 23 -2.344 7.853 11.471 204 1HB ASP 23 2HB ASP 23 0.385 7.761 12.381 205 2HB ASP 23 1HB ASP 23 0.054 9.314 11.626 206 HA PRO 24 HA PRO 24 0.121 10.009 7.795 207 1HB PRO 24 2HB PRO 24 1.329 7.544 6.656 208 2HB PRO 24 1HB PRO 24 2.015 9.164 6.812 209 1HG PRO 24 2HG PRO 24 2.820 7.205 8.417 210 2HG PRO 24 1HG PRO 24 2.590 8.847 9.042 211 1HD PRO 24 2HD PRO 24 0.816 6.457 9.314 212 2HD PRO 24 1HD PRO 24 1.243 7.694 10.513 213 H SER 25 H SER 25 -1.179 6.735 7.598 214 HA SER 25 HA SER 25 -2.146 6.861 4.953 215 1HB SER 25 2HB SER 25 -3.638 5.217 6.927 216 2HB SER 25 1HB SER 25 -3.030 4.787 5.330 217 HG SER 25 HG SER 25 -1.903 4.380 7.735 218 H ALA 26 H ALA 26 -3.308 8.343 7.842 219 HA ALA 26 HA ALA 26 -6.051 8.452 7.437 220 1HB ALA 26 1HB ALA 26 -5.956 10.627 8.667 221 2HB ALA 26 2HB ALA 26 -4.198 10.522 8.600 222 3HB ALA 26 3HB ALA 26 -5.121 9.295 9.468 223 H PHE 27 H PHE 27 -3.492 10.195 5.787 224 HA PHE 27 HA PHE 27 -5.365 11.962 4.436 225 1HB PHE 27 2HB PHE 27 -2.366 11.664 4.210 226 2HB PHE 27 1HB PHE 27 -3.317 12.857 3.332 227 HD1 PHE 27 2HD PHE 27 -5.201 13.791 5.353 228 HD2 PHE 27 1HD PHE 27 -1.066 12.850 5.706 229 HE1 PHE 27 2HE PHE 27 -5.015 15.343 7.254 230 HE2 PHE 27 1HE PHE 27 -0.872 14.397 7.608 231 HZ PHE 27 HZ PHE 27 -2.847 15.647 8.384 232 H PHE 28 H PHE 28 -3.505 9.052 3.751 233 HA PHE 28 HA PHE 28 -4.420 9.119 0.959 234 1HB PHE 28 2HB PHE 28 -2.246 7.538 2.331 235 2HB PHE 28 1HB PHE 28 -2.767 7.218 0.681 236 HD1 PHE 28 2HD PHE 28 -2.933 9.529 -0.751 237 HD2 PHE 28 1HD PHE 28 -0.328 8.763 2.525 238 HE1 PHE 28 2HE PHE 28 -1.390 11.255 -1.580 239 HE2 PHE 28 1HE PHE 28 1.222 10.488 1.702 240 HZ PHE 28 HZ PHE 28 0.690 11.736 -0.354 241 H SER 29 H SER 29 -6.009 8.331 3.431 242 HA SER 29 HA SER 29 -6.488 5.504 3.052 243 1HB SER 29 2HB SER 29 -6.620 6.296 5.312 244 2HB SER 29 1HB SER 29 -7.741 7.579 4.862 245 HG SER 29 HG SER 29 -8.435 5.316 5.794 246 H PHE 30 H PHE 30 -7.477 8.263 1.449 247 HA PHE 30 HA PHE 30 -9.824 6.874 0.372 248 1HB PHE 30 2HB PHE 30 -9.765 9.436 1.781 249 2HB PHE 30 1HB PHE 30 -10.490 9.559 0.184 250 HD1 PHE 30 2HD PHE 30 -10.609 7.190 3.078 251 HD2 PHE 30 1HD PHE 30 -12.764 9.360 0.119 252 HE1 PHE 30 2HE PHE 30 -12.722 6.301 3.970 253 HE2 PHE 30 1HE PHE 30 -14.880 8.478 1.007 254 HZ PHE 30 HZ PHE 30 -14.861 6.945 2.934 255 HA PRO 31 HA PRO 31 -8.298 7.821 -3.651 256 1HB PRO 31 2HB PRO 31 -10.491 8.915 -4.921 257 2HB PRO 31 1HB PRO 31 -10.232 7.185 -4.682 258 1HG PRO 31 2HG PRO 31 -11.902 9.088 -3.091 259 2HG PRO 31 1HG PRO 31 -12.264 7.426 -3.592 260 1HD PRO 31 2HD PRO 31 -11.473 7.987 -1.096 261 2HD PRO 31 1HD PRO 31 -10.952 6.500 -1.915 262 H VAL 32 H VAL 32 -6.910 9.406 -4.104 263 HA VAL 32 HA VAL 32 -6.910 11.936 -3.024 264 HB VAL 32 HB VAL 32 -5.481 12.544 -5.143 265 1HG1 VAL 32 1HG1 VAL 32 -3.573 11.808 -4.006 266 2HG1 VAL 32 2HG1 VAL 32 -4.414 10.426 -3.306 267 3HG1 VAL 32 3HG1 VAL 32 -4.780 12.058 -2.747 268 1HG2 VAL 32 1HG2 VAL 32 -4.855 9.698 -5.336 269 2HG2 VAL 32 2HG2 VAL 32 -4.974 10.925 -6.597 270 3HG2 VAL 32 3HG2 VAL 32 -6.430 10.142 -5.988 271 H THR 33 H THR 33 -7.944 13.766 -3.364 272 HA THR 33 HA THR 33 -9.480 14.084 -5.858 273 HB THR 33 HB THR 33 -10.426 15.576 -3.494 274 HG1 THR 33 1HG THR 33 -11.350 13.790 -2.508 275 1HG2 THR 33 1HG2 THR 33 -11.515 15.073 -5.876 276 2HG2 THR 33 2HG2 THR 33 -12.466 15.377 -4.423 277 3HG2 THR 33 3HG2 THR 33 -12.185 13.721 -4.961 278 H ASP 34 H ASP 34 -10.289 16.741 -5.431 279 HA ASP 34 HA ASP 34 -7.894 18.124 -6.174 280 1HB ASP 34 2HB ASP 34 -10.578 18.430 -6.722 281 2HB ASP 34 1HB ASP 34 -10.246 19.780 -5.647 282 H PHE 35 H PHE 35 -9.078 17.339 -3.174 283 HA PHE 35 HA PHE 35 -7.958 19.771 -1.944 284 1HB PHE 35 2HB PHE 35 -10.267 19.636 -1.356 285 2HB PHE 35 1HB PHE 35 -10.153 17.914 -1.023 286 HD1 PHE 35 1HD PHE 35 -8.937 17.136 1.005 287 HD2 PHE 35 2HD PHE 35 -9.783 21.244 0.297 288 HE1 PHE 35 1HE PHE 35 -8.543 17.623 3.387 289 HE2 PHE 35 2HE PHE 35 -9.390 21.741 2.674 290 HZ PHE 35 HZ PHE 35 -8.768 19.930 4.222 291 H ILE 36 H ILE 36 -8.310 16.255 -1.636 292 HA ILE 36 HA ILE 36 -6.397 15.959 0.440 293 HB ILE 36 HB ILE 36 -7.794 14.087 -1.434 294 1HG1 ILE 36 2HG1 ILE 36 -7.670 13.589 1.470 295 2HG1 ILE 36 1HG1 ILE 36 -8.436 15.106 1.009 296 1HG2 ILE 36 1HG2 ILE 36 -5.464 13.374 0.325 297 2HG2 ILE 36 2HG2 ILE 36 -5.629 13.126 -1.413 298 3HG2 ILE 36 3HG2 ILE 36 -6.620 12.193 -0.292 299 1HD1 ILE 36 1HD1 ILE 36 -9.465 13.080 -0.674 300 2HD1 ILE 36 2HD1 ILE 36 -10.301 14.014 0.568 301 3HD1 ILE 36 3HD1 ILE 36 -9.519 12.491 0.987 302 H ALA 37 H ALA 37 -6.239 15.975 -3.072 303 HA ALA 37 HA ALA 37 -3.315 15.646 -2.905 304 1HB ALA 37 1HB ALA 37 -3.736 14.948 -5.430 305 2HB ALA 37 2HB ALA 37 -5.303 14.482 -4.770 306 3HB ALA 37 3HB ALA 37 -3.825 13.786 -4.109 307 HA PRO 38 HA PRO 38 -3.170 19.617 -4.862 308 1HB PRO 38 2HB PRO 38 -0.460 19.277 -5.674 309 2HB PRO 38 1HB PRO 38 -1.056 20.129 -4.250 310 1HG PRO 38 2HG PRO 38 0.404 17.775 -4.210 311 2HG PRO 38 1HG PRO 38 -0.606 18.367 -2.884 312 1HD PRO 38 2HD PRO 38 -1.191 16.279 -4.931 313 2HD PRO 38 1HD PRO 38 -1.663 16.351 -3.220 314 H GLY 39 H GLY 39 -3.220 16.895 -6.529 315 1HA GLY 39 2HA GLY 39 -4.205 17.405 -8.856 316 2HA GLY 39 1HA GLY 39 -2.611 18.092 -9.142 317 H TYR 40 H TYR 40 -3.391 15.165 -7.310 318 HA TYR 40 HA TYR 40 -1.374 13.600 -8.420 319 1HB TYR 40 2HB TYR 40 -3.888 12.985 -6.923 320 2HB TYR 40 1HB TYR 40 -3.022 11.657 -7.691 321 HD1 TYR 40 1HD TYR 40 -1.750 14.704 -5.956 322 HD2 TYR 40 2HD TYR 40 -1.991 10.451 -5.974 323 HE1 TYR 40 1HE TYR 40 -0.229 14.614 -4.033 324 HE2 TYR 40 2HE TYR 40 -0.471 10.357 -4.049 325 HH TYR 40 HH TYR 40 0.248 12.971 -2.133 326 H SER 41 H SER 41 -4.802 13.820 -9.346 327 HA SER 41 HA SER 41 -4.749 11.871 -11.370 328 1HB SER 41 2HB SER 41 -6.826 12.866 -12.156 329 2HB SER 41 1HB SER 41 -6.814 12.830 -10.394 330 HG SER 41 HG SER 41 -6.957 14.961 -12.070 331 H MET 42 H MET 42 -3.658 15.173 -11.352 332 HA MET 42 HA MET 42 -3.631 15.516 -14.187 333 1HB MET 42 2HB MET 42 -3.801 17.391 -12.569 334 2HB MET 42 1HB MET 42 -2.142 17.079 -12.077 335 1HG MET 42 2HG MET 42 -1.885 17.327 -14.777 336 2HG MET 42 1HG MET 42 -3.182 18.467 -14.428 337 1HE MET 42 1HE MET 42 0.191 17.528 -14.590 338 2HE MET 42 2HE MET 42 1.177 18.545 -13.537 339 3HE MET 42 3HE MET 42 0.591 19.174 -15.077 340 H ILE 43 H ILE 43 -1.092 14.819 -11.771 341 HA ILE 43 HA ILE 43 0.783 14.351 -13.981 342 HB ILE 43 HB ILE 43 1.286 15.907 -11.983 343 1HG1 ILE 43 2HG1 ILE 43 3.270 13.787 -12.833 344 2HG1 ILE 43 1HG1 ILE 43 2.906 15.266 -13.716 345 1HG2 ILE 43 1HG2 ILE 43 0.671 14.366 -10.203 346 2HG2 ILE 43 2HG2 ILE 43 2.364 14.839 -10.075 347 3HG2 ILE 43 3HG2 ILE 43 1.942 13.255 -10.715 348 1HD1 ILE 43 1HD1 ILE 43 4.645 14.826 -11.418 349 2HD1 ILE 43 2HD1 ILE 43 3.589 16.231 -11.262 350 3HD1 ILE 43 3HD1 ILE 43 4.674 16.093 -12.645 351 H ILE 44 H ILE 44 -0.389 12.795 -11.010 352 HA ILE 44 HA ILE 44 0.889 10.294 -11.799 353 HB ILE 44 HB ILE 44 -0.306 11.298 -9.234 354 1HG1 ILE 44 2HG1 ILE 44 2.043 11.734 -9.624 355 2HG1 ILE 44 1HG1 ILE 44 1.877 10.544 -8.341 356 1HG2 ILE 44 1HG2 ILE 44 0.183 8.415 -9.945 357 2HG2 ILE 44 2HG2 ILE 44 -1.315 9.151 -9.376 358 3HG2 ILE 44 3HG2 ILE 44 0.059 9.002 -8.287 359 1HD1 ILE 44 1HD1 ILE 44 3.505 9.520 -9.511 360 2HD1 ILE 44 2HD1 ILE 44 3.047 10.288 -11.031 361 3HD1 ILE 44 3HD1 ILE 44 2.139 8.899 -10.437 362 H LYS 45 H LYS 45 -0.373 9.639 -13.496 363 HA LYS 45 HA LYS 45 -3.112 9.668 -13.761 364 1HB LYS 45 2HB LYS 45 -0.891 8.312 -15.017 365 2HB LYS 45 1HB LYS 45 -2.304 7.271 -14.956 366 1HG LYS 45 2HG LYS 45 -3.491 8.554 -16.401 367 2HG LYS 45 1HG LYS 45 -2.733 10.053 -15.867 368 1HD LYS 45 2HD LYS 45 -2.051 9.564 -18.135 369 2HD LYS 45 1HD LYS 45 -0.668 9.398 -17.054 370 1HE LYS 45 2HE LYS 45 -0.375 7.444 -18.136 371 2HE LYS 45 1HE LYS 45 -1.618 6.867 -17.027 372 1HZ LYS 45 1HZ LYS 45 -1.962 7.724 -19.844 373 2HZ LYS 45 2HZ LYS 45 -3.267 7.502 -18.792 374 3HZ LYS 45 3HZ LYS 45 -2.262 6.198 -19.178 375 H HIS 46 H HIS 46 -1.159 6.977 -12.434 376 HA HIS 46 HA HIS 46 -3.637 5.941 -11.220 377 1HB HIS 46 2HB HIS 46 -2.062 4.652 -13.065 378 2HB HIS 46 1HB HIS 46 -1.447 4.012 -11.546 379 HD1 HIS 46 1HD HIS 46 -2.568 1.792 -12.785 380 HD2 HIS 46 2HD HIS 46 -5.138 4.589 -11.099 381 HE1 HIS 46 1HE HIS 46 -4.760 0.596 -12.480 382 HE2 HIS 46 2HE HIS 46 -6.292 2.300 -11.435 383 HA PRO 47 HA PRO 47 -0.909 6.917 -7.652 384 1HB PRO 47 2HB PRO 47 -3.289 7.691 -6.231 385 2HB PRO 47 1HB PRO 47 -1.956 8.712 -6.769 386 1HG PRO 47 2HG PRO 47 -4.516 8.808 -7.785 387 2HG PRO 47 1HG PRO 47 -3.072 9.388 -8.628 388 1HD PRO 47 2HD PRO 47 -4.593 6.849 -8.996 389 2HD PRO 47 1HD PRO 47 -3.755 7.853 -10.195 390 H MET 48 H MET 48 -4.135 5.441 -7.592 391 HA MET 48 HA MET 48 -5.023 3.676 -6.474 392 1HB MET 48 2HB MET 48 -2.137 2.774 -6.536 393 2HB MET 48 1HB MET 48 -3.492 1.747 -6.084 394 1HG MET 48 2HG MET 48 -2.935 2.991 -8.761 395 2HG MET 48 1HG MET 48 -2.960 1.279 -8.348 396 1HE MET 48 1HE MET 48 -6.370 0.204 -9.182 397 2HE MET 48 2HE MET 48 -5.255 -0.098 -7.850 398 3HE MET 48 3HE MET 48 -4.645 0.031 -9.498 399 H ASP 49 H ASP 49 -5.529 5.122 -4.726 400 HA ASP 49 HA ASP 49 -3.859 5.400 -2.445 401 1HB ASP 49 2HB ASP 49 -6.862 5.724 -2.606 402 2HB ASP 49 1HB ASP 49 -5.802 6.365 -1.353 403 H PHE 50 H PHE 50 -4.573 4.684 -0.235 404 HA PHE 50 HA PHE 50 -4.548 1.887 -0.067 405 1HB PHE 50 2HB PHE 50 -5.391 3.841 2.082 406 2HB PHE 50 1HB PHE 50 -4.877 2.174 2.334 407 HD1 PHE 50 2HD PHE 50 -2.583 2.165 0.357 408 HD2 PHE 50 1HD PHE 50 -3.750 4.956 3.350 409 HE1 PHE 50 2HE PHE 50 -0.254 2.925 0.551 410 HE2 PHE 50 1HE PHE 50 -1.421 5.719 3.550 411 HZ PHE 50 HZ PHE 50 0.332 4.703 2.149 412 H SER 51 H SER 51 -7.229 4.141 -0.184 413 HA SER 51 HA SER 51 -9.217 2.325 0.764 414 1HB SER 51 2HB SER 51 -9.140 5.044 0.101 415 2HB SER 51 1HB SER 51 -10.255 4.331 -1.062 416 HG SER 51 HG SER 51 -10.601 4.812 1.578 417 H THR 52 H THR 52 -8.057 3.264 -2.459 418 HA THR 52 HA THR 52 -9.969 1.795 -3.933 419 HB THR 52 HB THR 52 -7.178 2.651 -4.737 420 HG1 THR 52 1HG THR 52 -8.389 4.442 -4.215 421 1HG2 THR 52 1HG2 THR 52 -8.668 2.771 -6.995 422 2HG2 THR 52 2HG2 THR 52 -9.318 1.322 -6.230 423 3HG2 THR 52 3HG2 THR 52 -7.592 1.440 -6.570 424 H MET 53 H MET 53 -6.663 0.990 -2.870 425 HA MET 53 HA MET 53 -6.597 -1.548 -4.115 426 1HB MET 53 2HB MET 53 -4.633 -2.001 -2.766 427 2HB MET 53 1HB MET 53 -4.559 -0.362 -3.396 428 1HG MET 53 2HG MET 53 -5.317 0.486 -1.219 429 2HG MET 53 1HG MET 53 -5.324 -1.163 -0.596 430 1HE MET 53 1HE MET 53 -2.437 -2.151 -2.251 431 2HE MET 53 2HE MET 53 -3.242 -2.706 -0.782 432 3HE MET 53 3HE MET 53 -1.573 -2.141 -0.713 433 H LYS 54 H LYS 54 -7.516 -0.540 -0.821 434 HA LYS 54 HA LYS 54 -7.854 -3.096 0.274 435 1HB LYS 54 2HB LYS 54 -8.026 -0.628 1.301 436 2HB LYS 54 1HB LYS 54 -9.742 -0.958 1.115 437 1HG LYS 54 2HG LYS 54 -7.933 -2.901 2.503 438 2HG LYS 54 1HG LYS 54 -8.623 -1.517 3.351 439 1HD LYS 54 2HD LYS 54 -10.288 -3.506 1.817 440 2HD LYS 54 1HD LYS 54 -9.914 -3.683 3.531 441 1HE LYS 54 2HE LYS 54 -11.835 -2.540 3.811 442 2HE LYS 54 1HE LYS 54 -10.816 -1.138 3.497 443 1HZ LYS 54 1HZ LYS 54 -11.719 -0.824 1.456 444 2HZ LYS 54 2HZ LYS 54 -13.043 -1.595 2.168 445 3HZ LYS 54 3HZ LYS 54 -11.992 -2.471 1.175 446 H GLU 55 H GLU 55 -10.170 -1.024 -1.456 447 HA GLU 55 HA GLU 55 -12.410 -2.716 -1.181 448 1HB GLU 55 2HB GLU 55 -11.894 -0.236 -2.337 449 2HB GLU 55 1HB GLU 55 -12.369 -1.248 -3.695 450 1HG GLU 55 2HG GLU 55 -14.479 -1.671 -2.796 451 2HG GLU 55 1HG GLU 55 -13.995 -1.155 -1.182 452 H LYS 56 H LYS 56 -9.808 -2.584 -3.556 453 HA LYS 56 HA LYS 56 -10.914 -4.459 -5.372 454 1HB LYS 56 2HB LYS 56 -8.398 -3.015 -5.042 455 2HB LYS 56 1HB LYS 56 -8.167 -4.637 -5.678 456 1HG LYS 56 2HG LYS 56 -8.833 -4.002 -7.687 457 2HG LYS 56 1HG LYS 56 -10.347 -3.369 -7.038 458 1HD LYS 56 2HD LYS 56 -8.794 -1.380 -6.274 459 2HD LYS 56 1HD LYS 56 -7.773 -1.967 -7.587 460 1HE LYS 56 2HE LYS 56 -10.699 -1.351 -7.931 461 2HE LYS 56 1HE LYS 56 -9.432 -0.151 -8.183 462 1HZ LYS 56 1HZ LYS 56 -10.112 -2.503 -9.788 463 2HZ LYS 56 2HZ LYS 56 -8.485 -2.045 -9.719 464 3HZ LYS 56 3HZ LYS 56 -9.648 -0.955 -10.285 465 H ILE 57 H ILE 57 -8.614 -4.794 -2.663 466 HA ILE 57 HA ILE 57 -8.006 -7.497 -3.048 467 HB ILE 57 HB ILE 57 -8.193 -6.129 -0.364 468 1HG1 ILE 57 2HG1 ILE 57 -5.577 -6.423 -1.725 469 2HG1 ILE 57 1HG1 ILE 57 -6.662 -5.215 -2.405 470 1HG2 ILE 57 1HG2 ILE 57 -6.227 -7.825 -0.014 471 2HG2 ILE 57 2HG2 ILE 57 -7.000 -8.674 -1.353 472 3HG2 ILE 57 3HG2 ILE 57 -7.903 -8.356 0.129 473 1HD1 ILE 57 1HD1 ILE 57 -5.932 -3.809 -0.864 474 2HD1 ILE 57 2HD1 ILE 57 -5.035 -5.088 -0.051 475 3HD1 ILE 57 3HD1 ILE 57 -6.727 -4.804 0.354 476 H LYS 58 H LYS 58 -10.702 -5.984 -1.314 477 HA LYS 58 HA LYS 58 -11.755 -8.279 -0.105 478 1HB LYS 58 2HB LYS 58 -12.432 -5.627 -0.159 479 2HB LYS 58 1HB LYS 58 -13.752 -6.347 -1.071 480 1HG LYS 58 2HG LYS 58 -12.991 -7.605 1.510 481 2HG LYS 58 1HG LYS 58 -13.852 -6.065 1.548 482 1HD LYS 58 2HD LYS 58 -15.645 -7.011 0.201 483 2HD LYS 58 1HD LYS 58 -14.774 -8.541 0.088 484 1HE LYS 58 2HE LYS 58 -15.238 -7.527 2.818 485 2HE LYS 58 1HE LYS 58 -16.680 -8.014 1.928 486 1HZ LYS 58 1HZ LYS 58 -15.661 -10.175 1.540 487 2HZ LYS 58 2HZ LYS 58 -15.768 -9.851 3.197 488 3HZ LYS 58 3HZ LYS 58 -14.282 -9.705 2.402 489 H ASN 59 H ASN 59 -11.814 -7.272 -3.432 490 HA ASN 59 HA ASN 59 -13.851 -9.285 -4.088 491 1HB ASN 59 2HB ASN 59 -12.869 -6.795 -5.401 492 2HB ASN 59 1HB ASN 59 -13.460 -8.090 -6.435 493 1HD2 ASN 59 1HD2 ASN 59 -14.316 -5.900 -3.830 494 2HD2 ASN 59 2HD2 ASN 59 -16.024 -5.982 -4.076 495 H ASN 60 H ASN 60 -10.871 -9.684 -3.443 496 HA ASN 60 HA ASN 60 -9.197 -11.066 -4.083 497 1HB ASN 60 2HB ASN 60 -11.542 -12.246 -5.110 498 2HB ASN 60 1HB ASN 60 -10.339 -12.347 -6.391 499 1HD2 ASN 60 1HD2 ASN 60 -10.608 -12.816 -2.885 500 2HD2 ASN 60 2HD2 ASN 60 -9.633 -14.241 -2.832 501 H ASP 61 H ASP 61 -9.722 -8.413 -5.473 502 HA ASP 61 HA ASP 61 -8.672 -8.690 -8.118 503 1HB ASP 61 2HB ASP 61 -9.000 -6.332 -6.265 504 2HB ASP 61 1HB ASP 61 -8.278 -6.176 -7.861 505 H TYR 62 H TYR 62 -7.340 -8.148 -4.928 506 HA TYR 62 HA TYR 62 -4.634 -8.308 -6.066 507 1HB TYR 62 2HB TYR 62 -5.611 -6.718 -3.688 508 2HB TYR 62 1HB TYR 62 -3.908 -6.987 -4.041 509 HD1 TYR 62 1HD TYR 62 -3.401 -6.482 -6.695 510 HD2 TYR 62 2HD TYR 62 -6.394 -4.642 -4.301 511 HE1 TYR 62 1HE TYR 62 -3.411 -4.546 -8.209 512 HE2 TYR 62 2HE TYR 62 -6.413 -2.699 -5.806 513 HH TYR 62 HH TYR 62 -4.261 -2.524 -8.624 514 H GLN 63 H GLN 63 -3.946 -10.292 -5.722 515 HA GLN 63 HA GLN 63 -3.933 -11.344 -3.008 516 1HB GLN 63 2HB GLN 63 -5.931 -12.265 -4.375 517 2HB GLN 63 1HB GLN 63 -4.718 -13.163 -5.277 518 1HG GLN 63 2HG GLN 63 -3.944 -14.126 -3.100 519 2HG GLN 63 1HG GLN 63 -5.346 -13.369 -2.345 520 1HE2 GLN 63 1HE2 GLN 63 -7.266 -14.374 -2.442 521 2HE2 GLN 63 2HE2 GLN 63 -7.573 -15.828 -3.321 522 H SER 64 H SER 64 -2.093 -10.241 -5.164 523 HA SER 64 HA SER 64 -0.109 -12.402 -5.049 524 1HB SER 64 2HB SER 64 0.065 -10.432 -7.276 525 2HB SER 64 1HB SER 64 0.483 -12.144 -7.256 526 HG SER 64 HG SER 64 -1.768 -12.603 -7.333 527 H ILE 65 H ILE 65 1.765 -11.818 -4.167 528 HA ILE 65 HA ILE 65 2.092 -9.492 -2.729 529 HB ILE 65 HB ILE 65 4.597 -10.047 -2.842 530 1HG1 ILE 65 2HG1 ILE 65 3.600 -12.655 -3.975 531 2HG1 ILE 65 1HG1 ILE 65 4.306 -11.402 -4.989 532 1HG2 ILE 65 1HG2 ILE 65 4.351 -11.794 -1.222 533 2HG2 ILE 65 2HG2 ILE 65 2.735 -12.173 -1.817 534 3HG2 ILE 65 3HG2 ILE 65 3.040 -10.633 -1.011 535 1HD1 ILE 65 1HD1 ILE 65 5.742 -13.381 -4.006 536 2HD1 ILE 65 2HD1 ILE 65 5.843 -12.298 -2.617 537 3HD1 ILE 65 3HD1 ILE 65 6.407 -11.759 -4.199 538 H GLU 66 H GLU 66 3.091 -10.198 -6.048 539 HA GLU 66 HA GLU 66 4.546 -7.777 -6.425 540 1HB GLU 66 2HB GLU 66 4.471 -8.338 -8.819 541 2HB GLU 66 1HB GLU 66 4.959 -9.720 -7.848 542 1HG GLU 66 2HG GLU 66 2.705 -10.645 -8.023 543 2HG GLU 66 1HG GLU 66 2.205 -9.251 -8.980 544 H GLU 67 H GLU 67 1.212 -8.776 -7.095 545 HA GLU 67 HA GLU 67 0.434 -6.428 -8.473 546 1HB GLU 67 2HB GLU 67 -0.689 -8.738 -8.404 547 2HB GLU 67 1HB GLU 67 -1.409 -8.211 -6.891 548 1HG GLU 67 2HG GLU 67 -3.059 -7.701 -8.389 549 2HG GLU 67 1HG GLU 67 -2.193 -6.167 -8.289 550 H LEU 68 H LEU 68 0.007 -7.455 -5.096 551 HA LEU 68 HA LEU 68 -1.309 -5.068 -4.281 552 1HB LEU 68 2HB LEU 68 -0.990 -5.891 -2.002 553 2HB LEU 68 1HB LEU 68 -1.618 -7.137 -3.061 554 HG LEU 68 HG LEU 68 0.984 -7.730 -3.250 555 1HD1 LEU 68 1HD1 LEU 68 0.970 -5.781 -1.245 556 2HD1 LEU 68 2HD1 LEU 68 2.293 -6.853 -1.701 557 3HD1 LEU 68 3HD1 LEU 68 1.179 -7.325 -0.419 558 1HD2 LEU 68 1HD2 LEU 68 0.113 -9.603 -2.452 559 2HD2 LEU 68 2HD2 LEU 68 -1.276 -8.716 -1.830 560 3HD2 LEU 68 3HD2 LEU 68 0.158 -8.922 -0.826 561 H LYS 69 H LYS 69 2.061 -6.187 -4.066 562 HA LYS 69 HA LYS 69 3.034 -4.003 -2.577 563 1HB LYS 69 2HB LYS 69 4.288 -6.104 -2.855 564 2HB LYS 69 1HB LYS 69 4.512 -5.744 -4.561 565 1HG LYS 69 2HG LYS 69 5.841 -3.792 -3.998 566 2HG LYS 69 1HG LYS 69 5.573 -4.090 -2.280 567 1HD LYS 69 2HD LYS 69 7.200 -5.617 -2.199 568 2HD LYS 69 1HD LYS 69 6.599 -6.436 -3.643 569 1HE LYS 69 2HE LYS 69 7.873 -5.113 -5.073 570 2HE LYS 69 1HE LYS 69 8.091 -3.848 -3.864 571 1HZ LYS 69 1HZ LYS 69 9.335 -6.545 -3.814 572 2HZ LYS 69 2HZ LYS 69 9.514 -5.370 -2.609 573 3HZ LYS 69 3HZ LYS 69 10.122 -5.088 -4.163 574 H ASP 70 H ASP 70 2.760 -4.557 -6.072 575 HA ASP 70 HA ASP 70 4.095 -2.252 -6.939 576 1HB ASP 70 2HB ASP 70 2.165 -4.156 -8.137 577 2HB ASP 70 1HB ASP 70 2.244 -2.573 -8.896 578 H ASN 71 H ASN 71 0.675 -2.768 -6.125 579 HA ASN 71 HA ASN 71 -0.204 -0.178 -6.838 580 1HB ASN 71 2HB ASN 71 -1.374 -2.535 -5.813 581 2HB ASN 71 1HB ASN 71 -1.774 -1.250 -4.676 582 1HD2 ASN 71 1HD2 ASN 71 -1.407 -1.379 -8.211 583 2HD2 ASN 71 2HD2 ASN 71 -2.960 -0.709 -8.560 584 H PHE 72 H PHE 72 0.740 -1.541 -3.673 585 HA PHE 72 HA PHE 72 0.332 0.812 -2.177 586 1HB PHE 72 2HB PHE 72 0.592 -1.372 -1.101 587 2HB PHE 72 1HB PHE 72 2.250 -1.482 -1.676 588 HD1 PHE 72 1HD PHE 72 0.090 0.832 0.309 589 HD2 PHE 72 2HD PHE 72 3.924 -0.948 -0.193 590 HE1 PHE 72 1HE PHE 72 0.870 1.935 2.367 591 HE2 PHE 72 2HE PHE 72 4.709 0.152 1.864 592 HZ PHE 72 HZ PHE 72 3.180 1.596 3.146 593 H LYS 73 H LYS 73 3.235 -0.486 -3.761 594 HA LYS 73 HA LYS 73 4.974 1.602 -2.980 595 1HB LYS 73 2HB LYS 73 5.075 -0.683 -4.828 596 2HB LYS 73 1HB LYS 73 6.051 0.687 -5.332 597 1HG LYS 73 2HG LYS 73 7.552 -0.501 -4.081 598 2HG LYS 73 1HG LYS 73 6.920 0.624 -2.879 599 1HD LYS 73 2HD LYS 73 5.167 -1.478 -2.705 600 2HD LYS 73 1HD LYS 73 6.702 -2.288 -3.029 601 1HE LYS 73 2HE LYS 73 7.725 -1.146 -1.144 602 2HE LYS 73 1HE LYS 73 6.230 -0.264 -0.842 603 1HZ LYS 73 1HZ LYS 73 5.295 -2.718 -0.717 604 2HZ LYS 73 2HZ LYS 73 5.972 -1.953 0.630 605 3HZ LYS 73 3HZ LYS 73 6.894 -3.051 -0.268 606 H LEU 74 H LEU 74 2.808 1.194 -5.745 607 HA LEU 74 HA LEU 74 3.780 3.286 -7.336 608 1HB LEU 74 2HB LEU 74 1.252 1.762 -7.148 609 2HB LEU 74 1HB LEU 74 1.128 3.339 -7.904 610 HG LEU 74 HG LEU 74 2.929 1.084 -8.793 611 1HD1 LEU 74 1HD1 LEU 74 0.943 0.406 -9.644 612 2HD1 LEU 74 2HD1 LEU 74 1.354 1.583 -10.891 613 3HD1 LEU 74 3HD1 LEU 74 0.242 2.023 -9.594 614 1HD2 LEU 74 1HD2 LEU 74 2.810 3.954 -9.497 615 2HD2 LEU 74 2HD2 LEU 74 2.984 2.814 -10.830 616 3HD2 LEU 74 3HD2 LEU 74 4.169 2.832 -9.525 617 H MET 75 H MET 75 1.266 3.311 -4.793 618 HA MET 75 HA MET 75 0.658 6.064 -5.091 619 1HB MET 75 2HB MET 75 -0.558 4.089 -3.763 620 2HB MET 75 1HB MET 75 0.319 4.808 -2.421 621 1HG MET 75 2HG MET 75 -0.829 6.963 -3.784 622 2HG MET 75 1HG MET 75 -2.070 5.710 -3.744 623 1HE MET 75 1HE MET 75 0.801 6.333 -1.104 624 2HE MET 75 2HE MET 75 -0.013 7.433 0.007 625 3HE MET 75 3HE MET 75 0.342 7.948 -1.640 626 H CYS 76 H CYS 76 2.925 4.328 -2.983 627 HA CYS 76 HA CYS 76 3.735 6.565 -1.454 628 1HB CYS 76 2HB CYS 76 4.783 3.827 -1.943 629 2HB CYS 76 1HB CYS 76 5.936 5.016 -1.351 630 HG CYS 76 HG CYS 76 4.887 4.955 0.878 631 H THR 77 H THR 77 5.164 5.033 -4.334 632 HA THR 77 HA THR 77 7.283 6.893 -4.619 633 HB THR 77 HB THR 77 6.014 5.144 -6.739 634 HG1 THR 77 1HG THR 77 6.983 3.556 -5.800 635 1HG2 THR 77 1HG2 THR 77 8.871 6.023 -6.682 636 2HG2 THR 77 2HG2 THR 77 7.627 6.997 -7.465 637 3HG2 THR 77 3HG2 THR 77 7.937 5.351 -8.018 638 H ASN 78 H ASN 78 4.014 6.719 -5.982 639 HA ASN 78 HA ASN 78 4.311 8.929 -7.742 640 1HB ASN 78 2HB ASN 78 1.901 7.513 -6.605 641 2HB ASN 78 1HB ASN 78 1.767 8.875 -7.701 642 1HD2 ASN 78 1HD2 ASN 78 0.570 6.837 -8.671 643 2HD2 ASN 78 2HD2 ASN 78 1.486 5.968 -9.838 644 H ALA 79 H ALA 79 3.341 8.591 -4.379 645 HA ALA 79 HA ALA 79 2.308 11.235 -4.098 646 1HB ALA 79 1HB ALA 79 3.091 9.085 -2.165 647 2HB ALA 79 2HB ALA 79 1.500 9.774 -2.486 648 3HB ALA 79 3HB ALA 79 2.702 10.708 -1.597 649 H MET 80 H MET 80 5.452 9.718 -3.413 650 HA MET 80 HA MET 80 6.599 12.074 -2.294 651 1HB MET 80 2HB MET 80 8.735 10.891 -2.425 652 2HB MET 80 1HB MET 80 7.480 9.864 -1.748 653 1HG MET 80 2HG MET 80 7.628 8.374 -3.408 654 2HG MET 80 1HG MET 80 7.805 9.615 -4.646 655 1HE MET 80 1HE MET 80 11.494 10.112 -5.107 656 2HE MET 80 2HE MET 80 10.360 11.202 -4.308 657 3HE MET 80 3HE MET 80 9.853 10.291 -5.730 658 H ILE 81 H ILE 81 6.424 10.786 -5.580 659 HA ILE 81 HA ILE 81 8.385 12.536 -6.664 660 HB ILE 81 HB ILE 81 7.754 10.527 -7.889 661 1HG1 ILE 81 2HG1 ILE 81 6.791 12.627 -9.747 662 2HG1 ILE 81 1HG1 ILE 81 8.339 12.930 -8.963 663 1HG2 ILE 81 1HG2 ILE 81 5.396 10.416 -7.322 664 2HG2 ILE 81 2HG2 ILE 81 5.616 10.359 -9.068 665 3HG2 ILE 81 3HG2 ILE 81 5.076 11.849 -8.296 666 1HD1 ILE 81 1HD1 ILE 81 7.582 10.828 -10.921 667 2HD1 ILE 81 2HD1 ILE 81 8.875 10.502 -9.768 668 3HD1 ILE 81 3HD1 ILE 81 9.002 11.872 -10.873 669 H TYR 82 H TYR 82 4.836 12.741 -6.364 670 HA TYR 82 HA TYR 82 4.924 15.467 -7.427 671 1HB TYR 82 2HB TYR 82 3.169 13.801 -8.186 672 2HB TYR 82 1HB TYR 82 2.467 13.923 -6.575 673 HD1 TYR 82 2HD TYR 82 3.895 16.596 -8.756 674 HD2 TYR 82 1HD TYR 82 0.426 15.000 -6.880 675 HE1 TYR 82 2HE TYR 82 2.613 18.570 -9.463 676 HE2 TYR 82 1HE TYR 82 -0.863 16.968 -7.583 677 HH TYR 82 HH TYR 82 0.165 19.120 -9.908 678 H ASN 83 H ASN 83 6.077 14.790 -4.805 679 HA ASN 83 HA ASN 83 5.035 16.967 -3.321 680 1HB ASN 83 2HB ASN 83 3.487 14.795 -2.923 681 2HB ASN 83 1HB ASN 83 4.729 14.489 -1.710 682 1HD2 ASN 83 1HD2 ASN 83 5.198 16.313 -0.220 683 2HD2 ASN 83 2HD2 ASN 83 3.873 17.299 0.287 684 H LYS 84 H LYS 84 7.151 17.645 -3.253 685 HA LYS 84 HA LYS 84 9.289 15.970 -2.349 686 1HB LYS 84 2HB LYS 84 9.006 18.891 -2.991 687 2HB LYS 84 1HB LYS 84 10.453 18.312 -2.180 688 1HG LYS 84 2HG LYS 84 9.518 16.999 -4.694 689 2HG LYS 84 1HG LYS 84 10.419 18.516 -4.759 690 1HD LYS 84 2HD LYS 84 12.360 17.526 -4.186 691 2HD LYS 84 1HD LYS 84 11.587 16.475 -2.999 692 1HE LYS 84 2HE LYS 84 11.175 15.986 -5.919 693 2HE LYS 84 1HE LYS 84 12.668 15.458 -5.143 694 1HZ LYS 84 1HZ LYS 84 10.174 14.742 -3.807 695 2HZ LYS 84 2HZ LYS 84 11.604 13.856 -3.980 696 3HZ LYS 84 3HZ LYS 84 10.506 13.946 -5.262 697 HA PRO 85 HA PRO 85 9.320 16.489 2.034 698 1HB PRO 85 2HB PRO 85 11.966 17.830 1.970 699 2HB PRO 85 1HB PRO 85 11.483 16.335 2.775 700 1HG PRO 85 2HG PRO 85 13.003 16.279 0.588 701 2HG PRO 85 1HG PRO 85 11.738 15.064 0.851 702 1HD PRO 85 2HD PRO 85 11.706 17.481 -0.917 703 2HD PRO 85 1HD PRO 85 11.092 15.845 -1.234 704 H GLU 86 H GLU 86 7.650 18.198 1.595 705 HA GLU 86 HA GLU 86 8.436 20.955 1.870 706 1HB GLU 86 2HB GLU 86 5.910 19.464 1.441 707 2HB GLU 86 1HB GLU 86 5.765 21.015 2.256 708 1HG GLU 86 2HG GLU 86 7.218 20.679 -0.349 709 2HG GLU 86 1HG GLU 86 5.492 21.025 -0.247 710 H THR 87 H THR 87 6.369 18.822 3.857 711 HA THR 87 HA THR 87 7.440 20.113 6.254 712 HB THR 87 HB THR 87 5.107 20.187 7.207 713 HG1 THR 87 1HG THR 87 4.440 19.602 4.515 714 1HG2 THR 87 1HG2 THR 87 5.935 21.911 4.930 715 2HG2 THR 87 2HG2 THR 87 5.757 22.304 6.640 716 3HG2 THR 87 3HG2 THR 87 4.328 22.102 5.628 717 H ILE 88 H ILE 88 4.705 17.887 5.935 718 HA ILE 88 HA ILE 88 6.345 15.759 7.136 719 HB ILE 88 HB ILE 88 4.417 15.051 8.498 720 1HG1 ILE 88 2HG1 ILE 88 2.707 16.232 6.999 721 2HG1 ILE 88 1HG1 ILE 88 2.437 16.320 8.735 722 1HG2 ILE 88 1HG2 ILE 88 4.451 17.369 9.888 723 2HG2 ILE 88 2HG2 ILE 88 5.870 17.574 8.863 724 3HG2 ILE 88 3HG2 ILE 88 5.742 16.168 9.920 725 1HD1 ILE 88 1HD1 ILE 88 3.993 18.565 8.001 726 2HD1 ILE 88 2HD1 ILE 88 2.333 18.520 8.590 727 3HD1 ILE 88 3HD1 ILE 88 2.657 18.432 6.859 728 H TYR 89 H TYR 89 4.671 16.576 4.444 729 HA TYR 89 HA TYR 89 3.059 14.269 4.009 730 1HB TYR 89 2HB TYR 89 3.984 16.577 2.388 731 2HB TYR 89 1HB TYR 89 3.562 15.121 1.496 732 HD1 TYR 89 1HD TYR 89 1.241 14.028 2.358 733 HD2 TYR 89 2HD TYR 89 2.317 18.134 2.656 734 HE1 TYR 89 1HE TYR 89 -1.140 14.639 2.468 735 HE2 TYR 89 2HE TYR 89 -0.058 18.755 2.771 736 HH TYR 89 HH TYR 89 -2.260 17.507 3.524 737 H TYR 90 H TYR 90 6.326 15.211 2.936 738 HA TYR 90 HA TYR 90 6.834 12.849 1.456 739 1HB TYR 90 2HB TYR 90 8.122 15.050 1.343 740 2HB TYR 90 1HB TYR 90 8.950 14.529 2.806 741 HD1 TYR 90 2HD TYR 90 10.221 12.301 2.718 742 HD2 TYR 90 1HD TYR 90 8.877 14.350 -0.761 743 HE1 TYR 90 2HE TYR 90 11.830 11.036 1.358 744 HE2 TYR 90 1HE TYR 90 10.480 13.087 -2.131 745 HH TYR 90 HH TYR 90 13.020 11.311 -0.830 746 H LYS 91 H LYS 91 7.698 13.785 4.783 747 HA LYS 91 HA LYS 91 9.076 11.435 5.455 748 1HB LYS 91 2HB LYS 91 8.237 13.800 6.796 749 2HB LYS 91 1HB LYS 91 7.717 12.427 7.764 750 1HG LYS 91 2HG LYS 91 10.197 11.627 7.289 751 2HG LYS 91 1HG LYS 91 10.450 13.364 7.107 752 1HD LYS 91 2HD LYS 91 8.840 12.760 9.438 753 2HD LYS 91 1HD LYS 91 10.392 11.922 9.488 754 1HE LYS 91 2HE LYS 91 11.016 13.897 10.436 755 2HE LYS 91 1HE LYS 91 11.289 14.297 8.741 756 1HZ LYS 91 1HZ LYS 91 10.047 16.077 9.330 757 2HZ LYS 91 2HZ LYS 91 9.231 15.266 10.568 758 3HZ LYS 91 3HZ LYS 91 8.766 15.035 8.959 759 H ALA 92 H ALA 92 5.637 12.273 5.710 760 HA ALA 92 HA ALA 92 4.746 10.042 7.136 761 1HB ALA 92 1HB ALA 92 2.613 10.531 5.568 762 2HB ALA 92 2HB ALA 92 3.500 12.038 5.347 763 3HB ALA 92 3HB ALA 92 3.036 11.518 6.967 764 H ALA 93 H ALA 93 5.068 10.508 3.618 765 HA ALA 93 HA ALA 93 4.100 7.958 2.878 766 1HB ALA 93 1HB ALA 93 4.293 9.927 1.353 767 2HB ALA 93 2HB ALA 93 4.940 8.428 0.687 768 3HB ALA 93 3HB ALA 93 6.036 9.660 1.312 769 H LYS 94 H LYS 94 7.403 9.188 3.391 770 HA LYS 94 HA LYS 94 8.769 6.836 2.678 771 1HB LYS 94 2HB LYS 94 9.424 9.317 4.157 772 2HB LYS 94 1HB LYS 94 10.456 7.932 4.483 773 1HG LYS 94 2HG LYS 94 10.026 8.250 1.651 774 2HG LYS 94 1HG LYS 94 10.659 9.730 2.371 775 1HD LYS 94 2HD LYS 94 12.647 8.706 2.040 776 2HD LYS 94 1HD LYS 94 12.248 7.920 3.569 777 1HE LYS 94 2HE LYS 94 10.977 6.308 1.778 778 2HE LYS 94 1HE LYS 94 12.390 6.815 0.853 779 1HZ LYS 94 1HZ LYS 94 12.736 4.764 2.157 780 2HZ LYS 94 2HZ LYS 94 12.512 5.652 3.581 781 3HZ LYS 94 3HZ LYS 94 13.821 5.998 2.565 782 H LYS 95 H LYS 95 7.691 8.003 5.869 783 HA LYS 95 HA LYS 95 8.693 5.857 7.379 784 1HB LYS 95 2HB LYS 95 7.070 8.163 7.840 785 2HB LYS 95 1HB LYS 95 6.274 6.778 8.572 786 1HG LYS 95 2HG LYS 95 9.155 6.958 9.092 787 2HG LYS 95 1HG LYS 95 8.189 8.271 9.766 788 1HD LYS 95 2HD LYS 95 7.057 6.892 11.194 789 2HD LYS 95 1HD LYS 95 7.199 5.492 10.129 790 1HE LYS 95 2HE LYS 95 9.793 5.891 10.747 791 2HE LYS 95 1HE LYS 95 9.030 6.490 12.218 792 1HZ LYS 95 1HZ LYS 95 7.703 4.244 11.966 793 2HZ LYS 95 2HZ LYS 95 9.207 4.302 12.738 794 3HZ LYS 95 3HZ LYS 95 9.102 3.775 11.133 795 H LEU 96 H LEU 96 5.523 6.345 5.855 796 HA LEU 96 HA LEU 96 4.353 3.943 6.780 797 1HB LEU 96 2HB LEU 96 3.451 6.145 5.453 798 2HB LEU 96 1HB LEU 96 3.454 4.961 4.163 799 HG LEU 96 HG LEU 96 1.954 3.525 5.418 800 1HD1 LEU 96 1HD1 LEU 96 1.877 3.612 7.632 801 2HD1 LEU 96 2HD1 LEU 96 1.088 5.185 7.525 802 3HD1 LEU 96 3HD1 LEU 96 2.845 5.085 7.640 803 1HD2 LEU 96 1HD2 LEU 96 1.274 6.331 4.812 804 2HD2 LEU 96 2HD2 LEU 96 0.106 5.437 5.783 805 3HD2 LEU 96 3HD2 LEU 96 0.578 4.832 4.198 806 H LEU 97 H LEU 97 6.358 4.703 3.986 807 HA LEU 97 HA LEU 97 5.910 2.331 2.520 808 1HB LEU 97 2HB LEU 97 7.177 4.598 1.944 809 2HB LEU 97 1HB LEU 97 8.574 3.664 2.438 810 HG LEU 97 HG LEU 97 6.651 2.834 0.260 811 1HD1 LEU 97 1HD1 LEU 97 7.970 3.814 -1.305 812 2HD1 LEU 97 2HD1 LEU 97 9.433 3.662 -0.334 813 3HD1 LEU 97 3HD1 LEU 97 8.267 4.936 0.024 814 1HD2 LEU 97 1HD2 LEU 97 8.858 1.443 -0.241 815 2HD2 LEU 97 2HD2 LEU 97 7.603 0.850 0.846 816 3HD2 LEU 97 3HD2 LEU 97 9.052 1.608 1.505 817 H HIS 98 H HIS 98 8.397 3.203 4.915 818 HA HIS 98 HA HIS 98 9.823 0.767 4.786 819 1HB HIS 98 2HB HIS 98 9.725 3.084 6.638 820 2HB HIS 98 1HB HIS 98 10.356 1.582 7.301 821 HD1 HIS 98 1HD HIS 98 12.750 1.090 6.832 822 HD2 HIS 98 2HD HIS 98 11.200 3.947 4.244 823 HE1 HIS 98 1HE HIS 98 14.709 1.910 5.486 824 HE2 HIS 98 2HE HIS 98 13.762 3.688 3.977 825 H SER 99 H SER 99 7.188 1.875 6.888 826 HA SER 99 HA SER 99 7.081 -0.451 8.505 827 1HB SER 99 2HB SER 99 6.063 1.781 9.090 828 2HB SER 99 1HB SER 99 4.797 1.446 7.909 829 HG SER 99 HG SER 99 5.212 0.362 10.424 830 H GLY 100 H GLY 100 5.444 0.503 5.512 831 1HA GLY 100 2HA GLY 100 3.662 -1.707 5.412 832 2HA GLY 100 1HA GLY 100 4.109 -0.677 4.058 833 H MET 101 H MET 101 6.981 -1.260 4.312 834 HA MET 101 HA MET 101 7.066 -3.574 2.660 835 1HB MET 101 2HB MET 101 9.063 -1.674 3.783 836 2HB MET 101 1HB MET 101 9.655 -3.246 3.262 837 1HG MET 101 2HG MET 101 7.887 -1.903 1.351 838 2HG MET 101 1HG MET 101 9.411 -1.078 1.665 839 1HE MET 101 1HE MET 101 11.876 -2.851 1.610 840 2HE MET 101 2HE MET 101 11.412 -1.474 0.610 841 3HE MET 101 3HE MET 101 12.000 -2.955 -0.146 842 H LYS 102 H LYS 102 8.111 -2.951 6.011 843 HA LYS 102 HA LYS 102 9.140 -5.519 6.502 844 1HB LYS 102 2HB LYS 102 8.921 -4.953 8.905 845 2HB LYS 102 1HB LYS 102 9.722 -3.704 7.968 846 1HG LYS 102 2HG LYS 102 7.955 -2.233 8.172 847 2HG LYS 102 1HG LYS 102 6.789 -3.514 8.494 848 1HD LYS 102 2HD LYS 102 7.234 -2.234 10.515 849 2HD LYS 102 1HD LYS 102 7.813 -3.892 10.688 850 1HE LYS 102 2HE LYS 102 9.501 -2.496 11.585 851 2HE LYS 102 1HE LYS 102 10.090 -3.044 10.017 852 1HZ LYS 102 1HZ LYS 102 9.279 -0.898 9.092 853 2HZ LYS 102 2HZ LYS 102 10.537 -0.729 10.212 854 3HZ LYS 102 3HZ LYS 102 8.945 -0.385 10.669 855 H ILE 103 H ILE 103 5.863 -4.216 6.922 856 HA ILE 103 HA ILE 103 4.829 -6.517 8.228 857 HB ILE 103 HB ILE 103 2.630 -5.562 7.788 858 1HG1 ILE 103 2HG1 ILE 103 4.080 -3.414 6.249 859 2HG1 ILE 103 1HG1 ILE 103 3.082 -4.671 5.527 860 1HG2 ILE 103 1HG2 ILE 103 4.667 -4.450 9.329 861 2HG2 ILE 103 2HG2 ILE 103 2.927 -4.258 9.549 862 3HG2 ILE 103 3HG2 ILE 103 3.830 -3.086 8.589 863 1HD1 ILE 103 1HD1 ILE 103 2.226 -2.392 7.273 864 2HD1 ILE 103 2HD1 ILE 103 1.185 -3.775 6.936 865 3HD1 ILE 103 3HD1 ILE 103 1.745 -2.750 5.615 866 H LEU 104 H LEU 104 4.924 -5.454 4.851 867 HA LEU 104 HA LEU 104 3.255 -7.511 3.848 868 1HB LEU 104 2HB LEU 104 4.377 -5.237 2.819 869 2HB LEU 104 1HB LEU 104 5.291 -6.491 2.007 870 HG LEU 104 HG LEU 104 2.292 -6.557 2.035 871 1HD1 LEU 104 1HD1 LEU 104 3.543 -4.371 1.106 872 2HD1 LEU 104 2HD1 LEU 104 2.070 -5.028 0.394 873 3HD1 LEU 104 3HD1 LEU 104 3.640 -5.402 -0.320 874 1HD2 LEU 104 1HD2 LEU 104 4.366 -8.182 0.961 875 2HD2 LEU 104 2HD2 LEU 104 3.489 -7.447 -0.379 876 3HD2 LEU 104 3HD2 LEU 104 2.620 -8.392 0.830 877 H SER 105 H SER 105 6.571 -7.524 4.826 878 HA SER 105 HA SER 105 7.768 -9.376 3.213 879 1HB SER 105 2HB SER 105 8.435 -8.202 5.593 880 2HB SER 105 1HB SER 105 8.252 -9.890 6.074 881 HG SER 105 HG SER 105 10.067 -8.729 4.282 882 H GLN 106 H GLN 106 5.943 -10.171 6.154 883 HA GLN 106 HA GLN 106 5.100 -12.668 4.888 884 1HB GLN 106 2HB GLN 106 5.569 -13.944 6.900 885 2HB GLN 106 1HB GLN 106 7.030 -13.196 6.272 886 1HG GLN 106 2HG GLN 106 5.451 -11.904 8.462 887 2HG GLN 106 1HG GLN 106 6.632 -13.164 8.798 888 1HE2 GLN 106 1HE2 GLN 106 6.195 -9.905 8.574 889 2HE2 GLN 106 2HE2 GLN 106 7.836 -9.416 8.349 890 H GLU 107 H GLU 107 4.300 -9.976 6.848 891 HA GLU 107 HA GLU 107 2.277 -9.210 7.538 892 1HB GLU 107 2HB GLU 107 1.181 -10.451 5.754 893 2HB GLU 107 1HB GLU 107 1.221 -11.919 6.721 894 1HG GLU 107 2HG GLU 107 -0.094 -9.604 7.968 895 2HG GLU 107 1HG GLU 107 -0.897 -10.273 6.554 896 H ARG 108 H ARG 108 3.435 -12.311 8.644 897 HA ARG 108 HA ARG 108 3.337 -11.646 11.350 898 1HB ARG 108 2HB ARG 108 0.796 -12.380 10.386 899 2HB ARG 108 1HB ARG 108 1.376 -13.761 11.309 900 1HG ARG 108 2HG ARG 108 1.583 -11.025 12.479 901 2HG ARG 108 1HG ARG 108 0.028 -11.860 12.475 902 1HD ARG 108 2HD ARG 108 0.958 -13.707 13.706 903 2HD ARG 108 1HD ARG 108 2.579 -13.027 13.585 904 HE ARG 108 HE ARG 108 1.117 -11.095 14.851 905 1HH1 ARG 108 1HH1 ARG 108 1.782 -14.479 15.483 906 2HH1 ARG 108 2HH1 ARG 108 1.655 -14.309 17.201 907 1HH2 ARG 108 1HH2 ARG 108 0.957 -10.882 17.122 908 2HH2 ARG 108 2HH2 ARG 108 1.189 -12.271 18.131 909 H LEU 109 H LEU 109 3.461 -14.138 8.891 910 HA LEU 109 HA LEU 109 4.198 -16.381 10.319 911 1HB LEU 109 2HB LEU 109 4.362 -15.473 7.588 912 2HB LEU 109 1HB LEU 109 5.809 -16.367 8.008 913 HG LEU 109 HG LEU 109 4.153 -17.833 7.002 914 1HD1 LEU 109 1HD1 LEU 109 4.105 -19.564 8.698 915 2HD1 LEU 109 2HD1 LEU 109 4.455 -18.374 9.951 916 3HD1 LEU 109 3HD1 LEU 109 5.661 -18.734 8.715 917 1HD2 LEU 109 1HD2 LEU 109 2.385 -16.582 9.028 918 2HD2 LEU 109 2HD2 LEU 109 2.122 -18.286 8.659 919 3HD2 LEU 109 3HD2 LEU 109 2.039 -17.082 7.373 920 H GLU 110 H GLU 110 6.496 -17.405 10.160 921 HA GLU 110 HA GLU 110 8.516 -15.416 10.954 922 1HB GLU 110 2HB GLU 110 7.728 -17.978 12.314 923 2HB GLU 110 1HB GLU 110 9.354 -17.338 12.493 924 1HG GLU 110 2HG GLU 110 7.504 -15.234 12.985 925 2HG GLU 110 1HG GLU 110 7.020 -16.645 13.924 926 H HIS 111 H HIS 111 10.725 -16.047 10.618 927 HA HIS 111 HA HIS 111 11.024 -17.883 8.347 928 1HB HIS 111 2HB HIS 111 11.931 -15.346 8.628 929 2HB HIS 111 1HB HIS 111 13.326 -16.233 9.226 930 HD1 HIS 111 1HD HIS 111 12.405 -14.701 6.299 931 HD2 HIS 111 2HD HIS 111 13.686 -18.570 7.112 932 HE1 HIS 111 1HE HIS 111 13.306 -15.581 4.124 933 HE2 HIS 111 2HE HIS 111 13.972 -17.960 4.614 934 H HIS 112 H HIS 112 10.704 -18.905 11.046 935 HA HIS 112 HA HIS 112 13.375 -19.872 11.741 936 1HB HIS 112 2HB HIS 112 10.909 -19.376 13.201 937 2HB HIS 112 1HB HIS 112 11.556 -20.977 13.541 938 HD1 HIS 112 1HD HIS 112 13.598 -17.836 12.952 939 HD2 HIS 112 2HD HIS 112 12.661 -20.514 15.990 940 HE1 HIS 112 1HE HIS 112 15.078 -17.205 14.884 941 HE2 HIS 112 2HE HIS 112 14.407 -18.763 16.747 942 H HIS 113 H HIS 113 13.897 -21.474 10.331 943 HA HIS 113 HA HIS 113 11.977 -23.529 9.633 944 1HB HIS 113 2HB HIS 113 13.703 -22.528 8.042 945 2HB HIS 113 1HB HIS 113 14.902 -23.488 8.903 946 HD1 HIS 113 1HD HIS 113 12.002 -23.800 6.557 947 HD2 HIS 113 2HD HIS 113 14.847 -26.225 8.370 948 HE1 HIS 113 1HE HIS 113 11.854 -26.011 5.371 949 HE2 HIS 113 2HE HIS 113 13.624 -27.448 6.446 950 H HIS 114 H HIS 114 14.600 -23.106 11.872 951 HA HIS 114 HA HIS 114 14.948 -25.928 12.389 952 1HB HIS 114 2HB HIS 114 15.979 -23.602 14.025 953 2HB HIS 114 1HB HIS 114 16.599 -25.248 14.005 954 HD1 HIS 114 1HD HIS 114 16.521 -22.106 11.929 955 HD2 HIS 114 2HD HIS 114 18.445 -25.789 12.009 956 HE1 HIS 114 1HE HIS 114 18.338 -21.953 10.197 957 HE2 HIS 114 2HE HIS 114 19.565 -24.147 10.352 958 H HIS 115 H HIS 115 12.958 -26.686 13.076 959 HA HIS 115 HA HIS 115 12.105 -25.748 15.731 960 1HB HIS 115 2HB HIS 115 9.768 -26.109 15.092 961 2HB HIS 115 1HB HIS 115 10.530 -24.923 14.037 962 HD1 HIS 115 1HD HIS 115 9.218 -28.445 14.044 963 HD2 HIS 115 2HD HIS 115 10.683 -25.631 11.362 964 HE1 HIS 115 1HE HIS 115 8.743 -29.383 11.760 965 HE2 HIS 115 2HE HIS 115 9.648 -27.668 10.150 966 H HIS 116 H HIS 116 10.729 -27.376 16.876 967 HA HIS 116 HA HIS 116 10.321 -29.436 17.727 968 1HB HIS 116 2HB HIS 116 9.944 -29.957 15.198 969 2HB HIS 116 1HB HIS 116 11.498 -30.774 15.309 970 HD1 HIS 116 1HD HIS 116 10.708 -33.157 15.107 971 HD2 HIS 116 2HD HIS 116 8.690 -31.045 18.065 972 HE1 HIS 116 1HE HIS 116 9.346 -34.870 16.347 973 HE2 HIS 116 2HE HIS 116 8.237 -33.587 18.210 Start of MODEL 20 1 1H MET 0 1HT MET 0 1.544 -25.216 -7.681 2 2H MET 0 2HT MET 0 1.528 -26.795 -8.351 3 3H MET 0 3HT MET 0 1.557 -26.584 -6.649 4 HA MET 0 HA MET 0 -0.615 -25.516 -8.301 5 1HB MET 0 2HB MET 0 -1.849 -27.585 -7.910 6 2HB MET 0 1HB MET 0 -0.370 -27.916 -8.800 7 1HG MET 0 2HG MET 0 0.671 -28.543 -6.584 8 2HG MET 0 1HG MET 0 -0.956 -28.479 -5.909 9 1HE MET 0 1HE MET 0 -2.510 -31.669 -6.639 10 2HE MET 0 2HE MET 0 -2.561 -30.048 -5.945 11 3HE MET 0 3HE MET 0 -1.433 -31.245 -5.308 12 H GLU 1 H GLU 1 0.662 -24.363 -6.005 13 HA GLU 1 HA GLU 1 -1.623 -24.353 -4.200 14 1HB GLU 1 2HB GLU 1 0.618 -25.823 -3.531 15 2HB GLU 1 1HB GLU 1 0.897 -24.293 -2.713 16 1HG GLU 1 2HG GLU 1 -0.755 -24.627 -1.230 17 2HG GLU 1 1HG GLU 1 -1.812 -25.387 -2.417 18 H GLU 2 H GLU 2 -2.101 -22.280 -4.897 19 HA GLU 2 HA GLU 2 -0.073 -20.195 -4.583 20 1HB GLU 2 2HB GLU 2 -2.688 -20.416 -5.999 21 2HB GLU 2 1HB GLU 2 -2.170 -18.819 -5.480 22 1HG GLU 2 2HG GLU 2 -0.463 -18.732 -6.970 23 2HG GLU 2 1HG GLU 2 -0.204 -20.473 -6.948 24 H VAL 3 H VAL 3 -0.666 -21.222 -2.168 25 HA VAL 3 HA VAL 3 -1.400 -20.744 -0.065 26 HB VAL 3 HB VAL 3 -1.819 -17.928 -1.033 27 1HG1 VAL 3 1HG1 VAL 3 -2.451 -17.809 1.135 28 2HG1 VAL 3 2HG1 VAL 3 -0.712 -17.708 1.405 29 3HG1 VAL 3 3HG1 VAL 3 -1.546 -19.251 1.594 30 1HG2 VAL 3 1HG2 VAL 3 0.776 -19.250 -0.240 31 2HG2 VAL 3 2HG2 VAL 3 0.556 -17.519 -0.502 32 3HG2 VAL 3 3HG2 VAL 3 0.351 -18.648 -1.842 33 H GLU 4 H GLU 4 -3.373 -21.500 -2.130 34 HA GLU 4 HA GLU 4 -5.594 -21.934 -2.210 35 1HB GLU 4 2HB GLU 4 -5.159 -21.248 0.512 36 2HB GLU 4 1HB GLU 4 -6.659 -20.489 0.000 37 1HG GLU 4 2HG GLU 4 -7.093 -22.899 -1.011 38 2HG GLU 4 1HG GLU 4 -5.973 -23.356 0.270 39 H GLN 5 H GLN 5 -4.329 -18.799 -2.284 40 HA GLN 5 HA GLN 5 -4.973 -16.932 -3.389 41 1HB GLN 5 2HB GLN 5 -7.365 -18.601 -4.171 42 2HB GLN 5 1HB GLN 5 -7.018 -16.999 -4.798 43 1HG GLN 5 2HG GLN 5 -5.986 -18.122 -6.436 44 2HG GLN 5 1HG GLN 5 -4.673 -18.241 -5.268 45 1HE2 GLN 5 1HE2 GLN 5 -4.146 -20.196 -4.413 46 2HE2 GLN 5 2HE2 GLN 5 -4.888 -21.682 -4.882 47 H THR 6 H THR 6 -6.906 -18.334 -0.953 48 HA THR 6 HA THR 6 -8.506 -15.920 -0.613 49 HB THR 6 HB THR 6 -9.002 -17.900 1.421 50 HG1 THR 6 1HG THR 6 -9.535 -19.630 0.190 51 1HG2 THR 6 1HG2 THR 6 -10.562 -16.600 -0.757 52 2HG2 THR 6 2HG2 THR 6 -10.786 -16.521 0.990 53 3HG2 THR 6 3HG2 THR 6 -11.237 -17.980 0.107 54 HA PRO 7 HA PRO 7 -6.288 -16.511 3.787 55 1HB PRO 7 2HB PRO 7 -3.852 -17.827 2.674 56 2HB PRO 7 1HB PRO 7 -4.623 -18.037 4.249 57 1HG PRO 7 2HG PRO 7 -4.913 -19.868 2.343 58 2HG PRO 7 1HG PRO 7 -6.267 -19.438 3.403 59 1HD PRO 7 2HD PRO 7 -5.779 -18.698 0.560 60 2HD PRO 7 1HD PRO 7 -7.307 -19.011 1.400 61 H LEU 8 H LEU 8 -4.497 -16.080 0.755 62 HA LEU 8 HA LEU 8 -2.557 -14.269 1.620 63 1HB LEU 8 2HB LEU 8 -3.541 -15.260 -0.870 64 2HB LEU 8 1HB LEU 8 -3.411 -13.517 -0.991 65 HG LEU 8 HG LEU 8 -1.062 -14.881 0.166 66 1HD1 LEU 8 1HD1 LEU 8 -2.121 -16.199 -1.917 67 2HD1 LEU 8 2HD1 LEU 8 -0.386 -16.069 -1.630 68 3HD1 LEU 8 3HD1 LEU 8 -1.173 -14.990 -2.782 69 1HD2 LEU 8 1HD2 LEU 8 -0.924 -13.032 -2.143 70 2HD2 LEU 8 2HD2 LEU 8 0.059 -13.100 -0.681 71 3HD2 LEU 8 3HD2 LEU 8 -1.547 -12.375 -0.630 72 H GLN 9 H GLN 9 -5.851 -13.699 0.433 73 HA GLN 9 HA GLN 9 -5.767 -10.885 0.481 74 1HB GLN 9 2HB GLN 9 -7.512 -12.462 -0.588 75 2HB GLN 9 1HB GLN 9 -8.264 -12.485 1.002 76 1HG GLN 9 2HG GLN 9 -8.041 -9.847 0.690 77 2HG GLN 9 1HG GLN 9 -8.120 -10.322 -1.006 78 1HE2 GLN 9 1HE2 GLN 9 -10.050 -10.811 -1.872 79 2HE2 GLN 9 2HE2 GLN 9 -11.529 -10.919 -0.985 80 H GLU 10 H GLU 10 -6.751 -13.254 2.939 81 HA GLU 10 HA GLU 10 -7.623 -11.359 4.854 82 1HB GLU 10 2HB GLU 10 -8.030 -13.914 4.769 83 2HB GLU 10 1HB GLU 10 -6.474 -14.042 5.578 84 1HG GLU 10 2HG GLU 10 -7.810 -14.008 7.401 85 2HG GLU 10 1HG GLU 10 -7.592 -12.271 7.200 86 H ALA 11 H ALA 11 -4.510 -12.981 4.324 87 HA ALA 11 HA ALA 11 -3.194 -11.943 6.593 88 1HB ALA 11 1HB ALA 11 -1.129 -12.622 5.498 89 2HB ALA 11 2HB ALA 11 -1.986 -12.817 3.968 90 3HB ALA 11 3HB ALA 11 -2.360 -13.874 5.330 91 H LEU 12 H LEU 12 -3.260 -10.811 3.204 92 HA LEU 12 HA LEU 12 -1.586 -8.571 3.704 93 1HB LEU 12 2HB LEU 12 -2.182 -7.808 1.490 94 2HB LEU 12 1HB LEU 12 -1.812 -9.519 1.474 95 HG LEU 12 HG LEU 12 -4.440 -9.746 1.685 96 1HD1 LEU 12 1HD1 LEU 12 -4.247 -7.011 1.553 97 2HD1 LEU 12 2HD1 LEU 12 -5.685 -7.963 1.189 98 3HD1 LEU 12 3HD1 LEU 12 -4.607 -7.461 -0.113 99 1HD2 LEU 12 1HD2 LEU 12 -2.531 -9.710 -0.461 100 2HD2 LEU 12 2HD2 LEU 12 -4.109 -9.174 -1.036 101 3HD2 LEU 12 3HD2 LEU 12 -3.945 -10.738 -0.239 102 H ASN 13 H ASN 13 -5.096 -9.015 3.670 103 HA ASN 13 HA ASN 13 -5.836 -6.313 3.818 104 1HB ASN 13 2HB ASN 13 -7.160 -8.884 4.595 105 2HB ASN 13 1HB ASN 13 -7.877 -7.368 5.128 106 1HD2 ASN 13 1HD2 ASN 13 -9.050 -9.257 3.358 107 2HD2 ASN 13 2HD2 ASN 13 -9.281 -8.470 1.839 108 H GLN 14 H GLN 14 -4.939 -8.624 6.339 109 HA GLN 14 HA GLN 14 -5.558 -6.952 8.542 110 1HB GLN 14 2HB GLN 14 -3.759 -9.346 8.215 111 2HB GLN 14 1HB GLN 14 -3.901 -8.498 9.748 112 1HG GLN 14 2HG GLN 14 -6.236 -9.010 9.885 113 2HG GLN 14 1HG GLN 14 -6.226 -9.691 8.259 114 1HE2 GLN 14 1HE2 GLN 14 -5.453 -11.741 7.931 115 2HE2 GLN 14 2HE2 GLN 14 -5.049 -12.818 9.220 116 H LEU 15 H LEU 15 -2.526 -7.598 6.790 117 HA LEU 15 HA LEU 15 -0.854 -5.954 8.332 118 1HB LEU 15 2HB LEU 15 -0.752 -7.102 5.592 119 2HB LEU 15 1HB LEU 15 0.342 -5.780 5.945 120 HG LEU 15 HG LEU 15 1.404 -7.026 7.703 121 1HD1 LEU 15 1HD1 LEU 15 -0.424 -9.348 7.158 122 2HD1 LEU 15 2HD1 LEU 15 -0.753 -8.165 8.423 123 3HD1 LEU 15 3HD1 LEU 15 0.717 -9.136 8.485 124 1HD2 LEU 15 1HD2 LEU 15 1.000 -8.645 5.194 125 2HD2 LEU 15 2HD2 LEU 15 2.232 -8.988 6.407 126 3HD2 LEU 15 3HD2 LEU 15 2.271 -7.466 5.518 127 H MET 16 H MET 16 -2.863 -5.238 5.501 128 HA MET 16 HA MET 16 -2.022 -2.598 5.064 129 1HB MET 16 2HB MET 16 -4.368 -4.239 4.317 130 2HB MET 16 1HB MET 16 -4.617 -2.498 4.286 131 1HG MET 16 2HG MET 16 -2.347 -3.866 2.871 132 2HG MET 16 1HG MET 16 -3.909 -3.541 2.121 133 1HE MET 16 1HE MET 16 -0.697 -1.471 1.111 134 2HE MET 16 2HE MET 16 -0.721 -2.890 2.155 135 3HE MET 16 3HE MET 16 -0.319 -1.309 2.825 136 H ARG 17 H ARG 17 -4.554 -3.918 7.169 137 HA ARG 17 HA ARG 17 -5.677 -1.491 8.006 138 1HB ARG 17 2HB ARG 17 -5.492 -4.209 9.287 139 2HB ARG 17 1HB ARG 17 -6.255 -2.862 10.121 140 1HG ARG 17 2HG ARG 17 -7.879 -2.632 8.347 141 2HG ARG 17 1HG ARG 17 -7.078 -3.900 7.418 142 1HD ARG 17 2HD ARG 17 -7.557 -5.043 9.910 143 2HD ARG 17 1HD ARG 17 -9.014 -4.116 9.558 144 HE ARG 17 HE ARG 17 -8.556 -5.470 7.254 145 1HH1 ARG 17 1HH1 ARG 17 -8.862 -6.454 10.600 146 2HH1 ARG 17 2HH1 ARG 17 -9.494 -8.017 10.209 147 1HH2 ARG 17 1HH2 ARG 17 -9.395 -7.530 6.747 148 2HH2 ARG 17 2HH2 ARG 17 -9.797 -8.628 8.023 149 H GLN 18 H GLN 18 -2.925 -3.333 9.264 150 HA GLN 18 HA GLN 18 -2.436 -1.782 11.552 151 1HB GLN 18 2HB GLN 18 -0.464 -3.309 9.841 152 2HB GLN 18 1HB GLN 18 -0.150 -2.713 11.465 153 1HG GLN 18 2HG GLN 18 -2.256 -4.136 12.076 154 2HG GLN 18 1HG GLN 18 -1.873 -4.973 10.572 155 1HE2 GLN 18 1HE2 GLN 18 0.632 -5.389 10.417 156 2HE2 GLN 18 2HE2 GLN 18 1.305 -6.152 11.814 157 H LEU 19 H LEU 19 -1.296 -1.446 8.213 158 HA LEU 19 HA LEU 19 0.520 0.650 8.623 159 1HB LEU 19 2HB LEU 19 -1.096 -0.244 6.259 160 2HB LEU 19 1HB LEU 19 -0.125 1.212 6.169 161 HG LEU 19 HG LEU 19 1.427 -1.004 7.206 162 1HD1 LEU 19 1HD1 LEU 19 -0.263 -1.480 4.830 163 2HD1 LEU 19 2HD1 LEU 19 0.438 -2.622 5.978 164 3HD1 LEU 19 3HD1 LEU 19 1.435 -1.937 4.695 165 1HD2 LEU 19 1HD2 LEU 19 2.924 -0.327 5.378 166 2HD2 LEU 19 2HD2 LEU 19 2.390 1.050 6.343 167 3HD2 LEU 19 3HD2 LEU 19 1.669 0.749 4.762 168 H GLN 20 H GLN 20 -2.967 0.685 7.997 169 HA GLN 20 HA GLN 20 -3.216 3.494 7.751 170 1HB GLN 20 2HB GLN 20 -5.155 1.265 8.297 171 2HB GLN 20 1HB GLN 20 -5.680 2.942 8.370 172 1HG GLN 20 2HG GLN 20 -5.470 3.257 6.121 173 2HG GLN 20 1HG GLN 20 -4.200 2.048 5.956 174 1HE2 GLN 20 1HE2 GLN 20 -6.672 2.449 4.425 175 2HE2 GLN 20 2HE2 GLN 20 -7.533 0.956 4.522 176 H ARG 21 H ARG 21 -3.370 1.304 10.514 177 HA ARG 21 HA ARG 21 -4.353 3.194 12.384 178 1HB ARG 21 2HB ARG 21 -4.240 0.607 12.534 179 2HB ARG 21 1HB ARG 21 -2.619 0.872 13.155 180 1HG ARG 21 2HG ARG 21 -4.019 2.572 14.717 181 2HG ARG 21 1HG ARG 21 -5.233 1.327 14.422 182 1HD ARG 21 2HD ARG 21 -4.269 0.240 16.125 183 2HD ARG 21 1HD ARG 21 -3.004 -0.162 14.965 184 HE ARG 21 HE ARG 21 -2.591 2.356 16.288 185 1HH1 ARG 21 1HH1 ARG 21 -2.099 -1.105 16.520 186 2HH1 ARG 21 2HH1 ARG 21 -0.759 -0.964 17.604 187 1HH2 ARG 21 1HH2 ARG 21 -0.823 2.532 17.717 188 2HH2 ARG 21 2HH2 ARG 21 -0.035 1.099 18.286 189 H LYS 22 H LYS 22 -1.247 2.847 10.963 190 HA LYS 22 HA LYS 22 0.508 3.585 12.958 191 1HB LYS 22 2HB LYS 22 0.438 3.928 10.014 192 2HB LYS 22 1HB LYS 22 1.566 4.951 10.887 193 1HG LYS 22 2HG LYS 22 1.671 2.173 11.737 194 2HG LYS 22 1HG LYS 22 2.034 2.390 10.025 195 1HD LYS 22 2HD LYS 22 4.121 2.669 10.946 196 2HD LYS 22 1HD LYS 22 3.552 4.338 10.909 197 1HE LYS 22 2HE LYS 22 3.116 4.362 13.206 198 2HE LYS 22 1HE LYS 22 3.117 2.604 13.317 199 1HZ LYS 22 1HZ LYS 22 5.125 3.471 14.269 200 2HZ LYS 22 2HZ LYS 22 5.480 4.345 12.866 201 3HZ LYS 22 3HZ LYS 22 5.518 2.655 12.838 202 H ASP 23 H ASP 23 -0.610 5.979 10.571 203 HA ASP 23 HA ASP 23 -1.870 7.834 12.040 204 1HB ASP 23 2HB ASP 23 0.827 7.700 12.990 205 2HB ASP 23 1HB ASP 23 0.563 9.267 12.238 206 HA PRO 24 HA PRO 24 0.505 10.168 8.468 207 1HB PRO 24 2HB PRO 24 2.003 7.934 7.258 208 2HB PRO 24 1HB PRO 24 2.538 9.573 7.634 209 1HG PRO 24 2HG PRO 24 3.366 7.466 9.071 210 2HG PRO 24 1HG PRO 24 3.067 9.044 9.818 211 1HD PRO 24 2HD PRO 24 1.362 6.592 9.844 212 2HD PRO 24 1HD PRO 24 1.694 7.757 11.139 213 H SER 25 H SER 25 -0.453 6.787 8.112 214 HA SER 25 HA SER 25 -1.254 6.813 5.438 215 1HB SER 25 2HB SER 25 -2.270 5.200 7.781 216 2HB SER 25 1HB SER 25 -2.791 4.924 6.118 217 HG SER 25 HG SER 25 -0.450 4.246 7.356 218 H ALA 26 H ALA 26 -2.743 8.249 8.212 219 HA ALA 26 HA ALA 26 -5.416 8.323 7.596 220 1HB ALA 26 1HB ALA 26 -5.345 10.653 8.676 221 2HB ALA 26 2HB ALA 26 -3.622 10.340 8.894 222 3HB ALA 26 3HB ALA 26 -4.816 9.271 9.634 223 H PHE 27 H PHE 27 -2.818 10.078 6.011 224 HA PHE 27 HA PHE 27 -4.618 11.831 4.582 225 1HB PHE 27 2HB PHE 27 -1.653 11.398 4.596 226 2HB PHE 27 1HB PHE 27 -2.396 12.294 3.277 227 HD1 PHE 27 1HD PHE 27 -4.490 13.805 4.639 228 HD2 PHE 27 2HD PHE 27 -0.500 12.954 5.853 229 HE1 PHE 27 1HE PHE 27 -4.476 15.845 6.014 230 HE2 PHE 27 2HE PHE 27 -0.481 14.992 7.232 231 HZ PHE 27 HZ PHE 27 -2.471 16.442 7.313 232 H PHE 28 H PHE 28 -2.601 9.005 3.780 233 HA PHE 28 HA PHE 28 -3.770 8.923 1.099 234 1HB PHE 28 2HB PHE 28 -1.667 7.063 2.206 235 2HB PHE 28 1HB PHE 28 -2.040 7.393 0.520 236 HD1 PHE 28 1HD PHE 28 -1.778 9.949 -0.155 237 HD2 PHE 28 2HD PHE 28 0.189 8.060 3.113 238 HE1 PHE 28 1HE PHE 28 -0.041 11.691 -0.196 239 HE2 PHE 28 2HE PHE 28 1.929 9.798 3.078 240 HZ PHE 28 HZ PHE 28 1.815 11.618 1.421 241 H SER 29 H SER 29 -5.199 8.176 3.668 242 HA SER 29 HA SER 29 -5.619 5.331 3.468 243 1HB SER 29 2HB SER 29 -5.728 6.283 5.668 244 2HB SER 29 1HB SER 29 -6.899 7.493 5.151 245 HG SER 29 HG SER 29 -7.285 4.873 5.894 246 H PHE 30 H PHE 30 -7.077 8.205 2.188 247 HA PHE 30 HA PHE 30 -9.231 6.571 1.037 248 1HB PHE 30 2HB PHE 30 -10.276 9.061 0.908 249 2HB PHE 30 1HB PHE 30 -10.582 7.947 2.229 250 HD1 PHE 30 1HD PHE 30 -9.396 8.223 4.375 251 HD2 PHE 30 2HD PHE 30 -9.015 11.049 1.214 252 HE1 PHE 30 1HE PHE 30 -8.495 9.871 5.961 253 HE2 PHE 30 2HE PHE 30 -8.110 12.701 2.796 254 HZ PHE 30 HZ PHE 30 -7.850 12.114 5.173 255 HA PRO 31 HA PRO 31 -7.822 7.492 -3.030 256 1HB PRO 31 2HB PRO 31 -10.643 8.247 -3.626 257 2HB PRO 31 1HB PRO 31 -9.579 7.109 -4.459 258 1HG PRO 31 2HG PRO 31 -11.529 6.239 -2.861 259 2HG PRO 31 1HG PRO 31 -9.961 5.420 -2.927 260 1HD PRO 31 2HD PRO 31 -11.072 7.212 -0.823 261 2HD PRO 31 1HD PRO 31 -9.990 5.814 -0.667 262 H VAL 32 H VAL 32 -6.676 9.270 -3.429 263 HA VAL 32 HA VAL 32 -7.232 11.832 -2.514 264 HB VAL 32 HB VAL 32 -5.647 12.573 -4.427 265 1HG1 VAL 32 1HG1 VAL 32 -3.701 11.503 -3.134 266 2HG1 VAL 32 2HG1 VAL 32 -4.955 10.826 -2.095 267 3HG1 VAL 32 3HG1 VAL 32 -4.799 12.575 -2.262 268 1HG2 VAL 32 1HG2 VAL 32 -6.138 10.015 -5.289 269 2HG2 VAL 32 2HG2 VAL 32 -4.552 9.886 -4.532 270 3HG2 VAL 32 3HG2 VAL 32 -4.819 11.052 -5.827 271 H THR 33 H THR 33 -7.760 13.787 -3.672 272 HA THR 33 HA THR 33 -9.400 13.385 -6.075 273 HB THR 33 HB THR 33 -11.131 14.860 -5.179 274 HG1 THR 33 1HG THR 33 -10.914 15.892 -3.345 275 1HG2 THR 33 1HG2 THR 33 -10.913 13.058 -2.877 276 2HG2 THR 33 2HG2 THR 33 -10.854 12.277 -4.458 277 3HG2 THR 33 3HG2 THR 33 -12.232 13.290 -4.025 278 H ASP 34 H ASP 34 -10.228 15.847 -6.639 279 HA ASP 34 HA ASP 34 -7.873 17.168 -7.531 280 1HB ASP 34 2HB ASP 34 -10.455 17.101 -8.392 281 2HB ASP 34 1HB ASP 34 -10.405 18.681 -7.622 282 H PHE 35 H PHE 35 -9.382 17.224 -4.543 283 HA PHE 35 HA PHE 35 -8.358 19.922 -3.959 284 1HB PHE 35 2HB PHE 35 -10.730 19.929 -3.644 285 2HB PHE 35 1HB PHE 35 -10.685 18.397 -2.783 286 HD1 PHE 35 2HD PHE 35 -9.629 18.319 -0.505 287 HD2 PHE 35 1HD PHE 35 -10.503 21.966 -2.512 288 HE1 PHE 35 2HE PHE 35 -9.500 19.524 1.639 289 HE2 PHE 35 1HE PHE 35 -10.377 23.180 -0.376 290 HZ PHE 35 HZ PHE 35 -9.876 21.959 1.705 291 H ILE 36 H ILE 36 -8.770 16.618 -2.750 292 HA ILE 36 HA ILE 36 -7.221 16.937 -0.404 293 HB ILE 36 HB ILE 36 -8.209 14.586 -1.976 294 1HG1 ILE 36 2HG1 ILE 36 -8.563 14.965 0.962 295 2HG1 ILE 36 1HG1 ILE 36 -9.428 16.047 -0.124 296 1HG2 ILE 36 1HG2 ILE 36 -6.210 14.474 0.263 297 2HG2 ILE 36 2HG2 ILE 36 -6.064 13.803 -1.360 298 3HG2 ILE 36 3HG2 ILE 36 -7.211 13.104 -0.218 299 1HD1 ILE 36 1HD1 ILE 36 -10.653 14.292 -1.073 300 2HD1 ILE 36 2HD1 ILE 36 -10.647 13.972 0.662 301 3HD1 ILE 36 3HD1 ILE 36 -9.572 13.068 -0.405 302 H ALA 37 H ALA 37 -6.466 15.935 -3.708 303 HA ALA 37 HA ALA 37 -3.623 15.697 -3.007 304 1HB ALA 37 1HB ALA 37 -5.329 14.562 -5.156 305 2HB ALA 37 2HB ALA 37 -4.046 13.809 -4.210 306 3HB ALA 37 3HB ALA 37 -3.641 14.892 -5.540 307 HA PRO 38 HA PRO 38 -2.738 19.505 -5.043 308 1HB PRO 38 2HB PRO 38 -0.066 18.740 -5.713 309 2HB PRO 38 1HB PRO 38 -0.599 19.742 -4.366 310 1HG PRO 38 2HG PRO 38 0.486 17.212 -4.130 311 2HG PRO 38 1HG PRO 38 -0.506 18.009 -2.902 312 1HD PRO 38 2HD PRO 38 -1.254 15.908 -4.875 313 2HD PRO 38 1HD PRO 38 -1.830 16.160 -3.217 314 H GLY 39 H GLY 39 -3.084 16.795 -6.703 315 1HA GLY 39 2HA GLY 39 -3.897 17.371 -9.060 316 2HA GLY 39 1HA GLY 39 -2.250 17.942 -9.283 317 H TYR 40 H TYR 40 -3.223 15.058 -7.485 318 HA TYR 40 HA TYR 40 -1.310 13.383 -8.618 319 1HB TYR 40 2HB TYR 40 -3.881 12.883 -7.160 320 2HB TYR 40 1HB TYR 40 -3.053 11.527 -7.918 321 HD1 TYR 40 1HD TYR 40 -1.731 14.499 -6.084 322 HD2 TYR 40 2HD TYR 40 -2.086 10.251 -6.211 323 HE1 TYR 40 1HE TYR 40 -0.283 14.320 -4.108 324 HE2 TYR 40 2HE TYR 40 -0.640 10.073 -4.238 325 HH TYR 40 HH TYR 40 -0.044 11.639 -2.242 326 H SER 41 H SER 41 -4.722 13.820 -9.564 327 HA SER 41 HA SER 41 -4.713 11.880 -11.604 328 1HB SER 41 2HB SER 41 -6.734 13.066 -10.572 329 2HB SER 41 1HB SER 41 -6.388 14.389 -11.683 330 HG SER 41 HG SER 41 -6.704 12.975 -13.405 331 H MET 42 H MET 42 -3.429 15.105 -11.538 332 HA MET 42 HA MET 42 -3.288 15.345 -14.410 333 1HB MET 42 2HB MET 42 -3.440 17.185 -12.468 334 2HB MET 42 1HB MET 42 -1.694 17.140 -12.672 335 1HG MET 42 2HG MET 42 -3.465 17.424 -15.054 336 2HG MET 42 1HG MET 42 -3.118 18.820 -14.035 337 1HE MET 42 1HE MET 42 -0.763 17.573 -17.498 338 2HE MET 42 2HE MET 42 -2.491 17.643 -17.152 339 3HE MET 42 3HE MET 42 -1.550 16.234 -16.662 340 H ILE 43 H ILE 43 -1.072 14.472 -11.790 341 HA ILE 43 HA ILE 43 1.039 14.081 -13.815 342 HB ILE 43 HB ILE 43 1.515 15.770 -12.050 343 1HG1 ILE 43 2HG1 ILE 43 3.684 14.202 -11.307 344 2HG1 ILE 43 1HG1 ILE 43 3.163 13.497 -12.832 345 1HG2 ILE 43 1HG2 ILE 43 1.886 15.182 -9.806 346 2HG2 ILE 43 2HG2 ILE 43 1.761 13.460 -10.151 347 3HG2 ILE 43 3HG2 ILE 43 0.329 14.485 -10.240 348 1HD1 ILE 43 1HD1 ILE 43 4.146 16.263 -12.279 349 2HD1 ILE 43 2HD1 ILE 43 3.187 15.905 -13.715 350 3HD1 ILE 43 3HD1 ILE 43 4.728 15.085 -13.456 351 H ILE 44 H ILE 44 -0.311 12.671 -10.843 352 HA ILE 44 HA ILE 44 1.056 10.150 -11.413 353 HB ILE 44 HB ILE 44 -0.166 11.367 -8.970 354 1HG1 ILE 44 2HG1 ILE 44 2.196 11.626 -9.266 355 2HG1 ILE 44 1HG1 ILE 44 1.941 10.470 -7.965 356 1HG2 ILE 44 1HG2 ILE 44 -0.025 8.431 -9.525 357 2HG2 ILE 44 2HG2 ILE 44 -1.324 9.370 -8.789 358 3HG2 ILE 44 3HG2 ILE 44 0.151 9.051 -7.884 359 1HD1 ILE 44 1HD1 ILE 44 3.161 10.108 -10.617 360 2HD1 ILE 44 2HD1 ILE 44 2.158 8.780 -10.032 361 3HD1 ILE 44 3HD1 ILE 44 3.532 9.335 -9.076 362 H LYS 45 H LYS 45 -0.140 9.377 -13.114 363 HA LYS 45 HA LYS 45 -2.816 9.392 -13.578 364 1HB LYS 45 2HB LYS 45 -0.602 8.093 -14.662 365 2HB LYS 45 1HB LYS 45 -1.740 6.804 -14.298 366 1HG LYS 45 2HG LYS 45 -2.918 9.147 -15.614 367 2HG LYS 45 1HG LYS 45 -1.734 8.264 -16.581 368 1HD LYS 45 2HD LYS 45 -3.677 6.568 -15.172 369 2HD LYS 45 1HD LYS 45 -4.378 7.631 -16.393 370 1HE LYS 45 2HE LYS 45 -2.345 6.717 -17.826 371 2HE LYS 45 1HE LYS 45 -2.471 5.365 -16.702 372 1HZ LYS 45 1HZ LYS 45 -4.941 5.398 -17.320 373 2HZ LYS 45 2HZ LYS 45 -3.853 4.774 -18.455 374 3HZ LYS 45 3HZ LYS 45 -4.471 6.337 -18.649 375 H HIS 46 H HIS 46 -1.310 6.412 -12.258 376 HA HIS 46 HA HIS 46 -3.870 5.916 -10.890 377 1HB HIS 46 2HB HIS 46 -2.556 4.331 -12.744 378 2HB HIS 46 1HB HIS 46 -2.160 3.578 -11.204 379 HD1 HIS 46 1HD HIS 46 -4.097 2.405 -13.459 380 HD2 HIS 46 2HD HIS 46 -5.246 4.242 -9.913 381 HE1 HIS 46 1HE HIS 46 -6.417 1.557 -12.983 382 HE2 HIS 46 2HE HIS 46 -7.120 2.743 -10.874 383 HA PRO 47 HA PRO 47 -0.977 6.291 -7.376 384 1HB PRO 47 2HB PRO 47 -2.678 7.565 -5.721 385 2HB PRO 47 1HB PRO 47 -1.769 8.417 -6.972 386 1HG PRO 47 2HG PRO 47 -4.630 7.600 -6.929 387 2HG PRO 47 1HG PRO 47 -3.880 9.040 -7.637 388 1HD PRO 47 2HD PRO 47 -4.656 6.766 -9.042 389 2HD PRO 47 1HD PRO 47 -3.521 7.999 -9.620 390 H MET 48 H MET 48 -4.422 5.511 -7.136 391 HA MET 48 HA MET 48 -5.593 3.976 -5.948 392 1HB MET 48 2HB MET 48 -3.025 2.420 -6.297 393 2HB MET 48 1HB MET 48 -4.553 1.723 -5.777 394 1HG MET 48 2HG MET 48 -5.009 3.187 -8.168 395 2HG MET 48 1HG MET 48 -3.605 2.153 -8.413 396 1HE MET 48 1HE MET 48 -6.441 0.648 -5.855 397 2HE MET 48 2HE MET 48 -7.735 0.720 -7.047 398 3HE MET 48 3HE MET 48 -6.897 2.195 -6.567 399 H ASP 49 H ASP 49 -5.778 5.193 -4.047 400 HA ASP 49 HA ASP 49 -3.855 5.244 -1.978 401 1HB ASP 49 2HB ASP 49 -6.752 5.955 -2.186 402 2HB ASP 49 1HB ASP 49 -6.003 5.868 -0.594 403 H PHE 50 H PHE 50 -4.408 4.451 0.292 404 HA PHE 50 HA PHE 50 -4.303 1.680 0.350 405 1HB PHE 50 2HB PHE 50 -5.161 3.513 2.599 406 2HB PHE 50 1HB PHE 50 -4.613 1.849 2.778 407 HD1 PHE 50 1HD PHE 50 -2.345 1.889 0.810 408 HD2 PHE 50 2HD PHE 50 -3.519 4.673 3.810 409 HE1 PHE 50 1HE PHE 50 -0.029 2.692 0.966 410 HE2 PHE 50 2HE PHE 50 -1.200 5.476 3.971 411 HZ PHE 50 HZ PHE 50 0.548 4.487 2.547 412 H SER 51 H SER 51 -7.157 3.775 0.603 413 HA SER 51 HA SER 51 -8.920 1.649 1.375 414 1HB SER 51 2HB SER 51 -9.181 4.508 0.770 415 2HB SER 51 1HB SER 51 -10.557 3.549 0.228 416 HG SER 51 HG SER 51 -11.138 3.754 2.245 417 H THR 52 H THR 52 -8.100 3.207 -1.693 418 HA THR 52 HA THR 52 -9.994 1.871 -3.291 419 HB THR 52 HB THR 52 -7.358 2.612 -4.467 420 HG1 THR 52 1HG THR 52 -7.475 4.375 -3.264 421 1HG2 THR 52 1HG2 THR 52 -10.208 3.152 -5.257 422 2HG2 THR 52 2HG2 THR 52 -9.099 1.994 -5.990 423 3HG2 THR 52 3HG2 THR 52 -8.790 3.724 -6.137 424 H MET 53 H MET 53 -6.578 1.115 -2.603 425 HA MET 53 HA MET 53 -6.485 -1.215 -4.198 426 1HB MET 53 2HB MET 53 -4.416 -1.747 -3.029 427 2HB MET 53 1HB MET 53 -4.457 -0.041 -3.447 428 1HG MET 53 2HG MET 53 -5.089 0.502 -1.147 429 2HG MET 53 1HG MET 53 -5.028 -1.209 -0.732 430 1HE MET 53 1HE MET 53 -3.115 -2.649 -0.808 431 2HE MET 53 2HE MET 53 -1.436 -2.159 -0.586 432 3HE MET 53 3HE MET 53 -2.128 -2.227 -2.207 433 H LYS 54 H LYS 54 -7.181 -0.712 -0.749 434 HA LYS 54 HA LYS 54 -7.374 -3.404 0.002 435 1HB LYS 54 2HB LYS 54 -7.358 -1.321 1.492 436 2HB LYS 54 1HB LYS 54 -9.085 -1.222 1.178 437 1HG LYS 54 2HG LYS 54 -9.078 -3.707 1.982 438 2HG LYS 54 1HG LYS 54 -7.551 -3.247 2.736 439 1HD LYS 54 2HD LYS 54 -9.938 -1.496 3.116 440 2HD LYS 54 1HD LYS 54 -9.826 -3.000 4.032 441 1HE LYS 54 2HE LYS 54 -7.457 -1.202 3.962 442 2HE LYS 54 1HE LYS 54 -8.833 -0.732 4.957 443 1HZ LYS 54 1HZ LYS 54 -6.991 -2.141 6.006 444 2HZ LYS 54 2HZ LYS 54 -7.675 -3.440 5.166 445 3HZ LYS 54 3HZ LYS 54 -8.597 -2.586 6.301 446 H GLU 55 H GLU 55 -9.786 -1.216 -1.394 447 HA GLU 55 HA GLU 55 -12.002 -2.960 -1.134 448 1HB GLU 55 2HB GLU 55 -11.404 -0.448 -2.551 449 2HB GLU 55 1HB GLU 55 -12.624 -1.449 -3.325 450 1HG GLU 55 2HG GLU 55 -13.867 -1.509 -1.186 451 2HG GLU 55 1HG GLU 55 -12.678 -0.401 -0.505 452 H LYS 56 H LYS 56 -9.590 -2.483 -3.663 453 HA LYS 56 HA LYS 56 -10.771 -4.180 -5.591 454 1HB LYS 56 2HB LYS 56 -8.302 -2.685 -5.285 455 2HB LYS 56 1HB LYS 56 -8.011 -4.252 -6.026 456 1HG LYS 56 2HG LYS 56 -8.429 -3.038 -7.892 457 2HG LYS 56 1HG LYS 56 -10.079 -3.531 -7.509 458 1HD LYS 56 2HD LYS 56 -10.444 -1.403 -6.354 459 2HD LYS 56 1HD LYS 56 -8.792 -0.915 -6.732 460 1HE LYS 56 2HE LYS 56 -9.367 -1.180 -9.157 461 2HE LYS 56 1HE LYS 56 -11.043 -1.424 -8.668 462 1HZ LYS 56 1HZ LYS 56 -11.308 0.748 -8.166 463 2HZ LYS 56 2HZ LYS 56 -10.061 0.947 -9.291 464 3HZ LYS 56 3HZ LYS 56 -9.714 0.956 -7.636 465 H ILE 57 H ILE 57 -8.325 -4.760 -3.065 466 HA ILE 57 HA ILE 57 -7.701 -7.405 -3.756 467 HB ILE 57 HB ILE 57 -7.772 -6.313 -0.941 468 1HG1 ILE 57 2HG1 ILE 57 -5.230 -6.391 -2.469 469 2HG1 ILE 57 1HG1 ILE 57 -6.375 -5.137 -2.927 470 1HG2 ILE 57 1HG2 ILE 57 -6.868 -8.237 -0.299 471 2HG2 ILE 57 2HG2 ILE 57 -5.646 -8.156 -1.567 472 3HG2 ILE 57 3HG2 ILE 57 -7.222 -8.868 -1.906 473 1HD1 ILE 57 1HD1 ILE 57 -6.204 -5.150 -0.105 474 2HD1 ILE 57 2HD1 ILE 57 -5.676 -3.904 -1.236 475 3HD1 ILE 57 3HD1 ILE 57 -4.564 -5.183 -0.750 476 H LYS 58 H LYS 58 -10.267 -6.096 -1.695 477 HA LYS 58 HA LYS 58 -11.246 -8.526 -0.695 478 1HB LYS 58 2HB LYS 58 -12.644 -5.900 -1.210 479 2HB LYS 58 1HB LYS 58 -13.391 -7.250 -0.367 480 1HG LYS 58 2HG LYS 58 -11.077 -6.985 1.024 481 2HG LYS 58 1HG LYS 58 -11.398 -5.313 0.562 482 1HD LYS 58 2HD LYS 58 -13.868 -6.158 1.372 483 2HD LYS 58 1HD LYS 58 -12.803 -7.050 2.459 484 1HE LYS 58 2HE LYS 58 -13.403 -4.952 3.480 485 2HE LYS 58 1HE LYS 58 -11.692 -4.926 3.060 486 1HZ LYS 58 1HZ LYS 58 -13.794 -3.219 2.168 487 2HZ LYS 58 2HZ LYS 58 -12.969 -3.900 0.859 488 3HZ LYS 58 3HZ LYS 58 -12.121 -3.020 2.029 489 H ASN 59 H ASN 59 -11.663 -6.984 -3.803 490 HA ASN 59 HA ASN 59 -13.792 -8.838 -4.560 491 1HB ASN 59 2HB ASN 59 -12.688 -6.304 -5.690 492 2HB ASN 59 1HB ASN 59 -13.475 -7.432 -6.786 493 1HD2 ASN 59 1HD2 ASN 59 -13.931 -5.539 -3.852 494 2HD2 ASN 59 2HD2 ASN 59 -15.649 -5.408 -3.990 495 H ASN 60 H ASN 60 -10.855 -9.559 -4.146 496 HA ASN 60 HA ASN 60 -9.339 -10.981 -5.031 497 1HB ASN 60 2HB ASN 60 -11.833 -11.813 -6.087 498 2HB ASN 60 1HB ASN 60 -10.663 -11.909 -7.398 499 1HD2 ASN 60 1HD2 ASN 60 -10.754 -12.596 -3.913 500 2HD2 ASN 60 2HD2 ASN 60 -9.998 -14.145 -4.027 501 H ASP 61 H ASP 61 -9.702 -8.151 -6.078 502 HA ASP 61 HA ASP 61 -8.756 -8.206 -8.781 503 1HB ASP 61 2HB ASP 61 -9.991 -6.281 -7.643 504 2HB ASP 61 1HB ASP 61 -8.469 -5.915 -6.835 505 H TYR 62 H TYR 62 -7.336 -8.132 -5.592 506 HA TYR 62 HA TYR 62 -4.664 -8.407 -6.791 507 1HB TYR 62 2HB TYR 62 -5.407 -6.913 -4.265 508 2HB TYR 62 1HB TYR 62 -3.756 -7.250 -4.774 509 HD1 TYR 62 2HD TYR 62 -3.256 -6.459 -7.296 510 HD2 TYR 62 1HD TYR 62 -6.255 -4.831 -4.755 511 HE1 TYR 62 2HE TYR 62 -3.247 -4.387 -8.619 512 HE2 TYR 62 1HE TYR 62 -6.254 -2.756 -6.069 513 HH TYR 62 HH TYR 62 -5.506 -2.281 -8.752 514 H GLN 63 H GLN 63 -4.002 -10.420 -6.468 515 HA GLN 63 HA GLN 63 -4.287 -11.623 -3.820 516 1HB GLN 63 2HB GLN 63 -6.154 -12.469 -5.232 517 2HB GLN 63 1HB GLN 63 -4.976 -13.065 -6.393 518 1HG GLN 63 2HG GLN 63 -4.404 -14.048 -3.745 519 2HG GLN 63 1HG GLN 63 -6.055 -14.430 -4.224 520 1HE2 GLN 63 1HE2 GLN 63 -5.966 -14.973 -6.803 521 2HE2 GLN 63 2HE2 GLN 63 -4.888 -16.278 -7.150 522 H SER 64 H SER 64 -2.202 -10.432 -5.702 523 HA SER 64 HA SER 64 -0.260 -12.615 -5.467 524 1HB SER 64 2HB SER 64 0.139 -10.578 -7.606 525 2HB SER 64 1HB SER 64 0.555 -12.291 -7.592 526 HG SER 64 HG SER 64 -1.873 -11.047 -8.238 527 H ILE 65 H ILE 65 1.517 -12.080 -4.385 528 HA ILE 65 HA ILE 65 1.740 -9.792 -2.864 529 HB ILE 65 HB ILE 65 4.152 -10.397 -2.592 530 1HG1 ILE 65 2HG1 ILE 65 4.365 -12.936 -3.582 531 2HG1 ILE 65 1HG1 ILE 65 3.488 -12.130 -4.877 532 1HG2 ILE 65 1HG2 ILE 65 3.452 -12.842 -1.774 533 2HG2 ILE 65 2HG2 ILE 65 1.851 -12.151 -2.036 534 3HG2 ILE 65 3HG2 ILE 65 2.980 -11.367 -0.931 535 1HD1 ILE 65 1HD1 ILE 65 6.162 -12.195 -4.691 536 2HD1 ILE 65 2HD1 ILE 65 5.832 -10.689 -3.837 537 3HD1 ILE 65 3HD1 ILE 65 5.268 -10.905 -5.493 538 H GLU 66 H GLU 66 3.037 -10.463 -6.082 539 HA GLU 66 HA GLU 66 4.595 -8.088 -6.271 540 1HB GLU 66 2HB GLU 66 4.733 -10.257 -7.684 541 2HB GLU 66 1HB GLU 66 3.444 -9.538 -8.640 542 1HG GLU 66 2HG GLU 66 4.821 -7.682 -9.233 543 2HG GLU 66 1HG GLU 66 6.078 -8.190 -8.108 544 H GLU 67 H GLU 67 1.293 -8.955 -7.219 545 HA GLU 67 HA GLU 67 0.721 -6.536 -8.587 546 1HB GLU 67 2HB GLU 67 -1.001 -8.704 -7.400 547 2HB GLU 67 1HB GLU 67 -1.696 -7.287 -8.178 548 1HG GLU 67 2HG GLU 67 0.342 -8.879 -9.649 549 2HG GLU 67 1HG GLU 67 -1.301 -9.503 -9.509 550 H LEU 68 H LEU 68 -0.029 -7.648 -5.280 551 HA LEU 68 HA LEU 68 -1.358 -5.246 -4.533 552 1HB LEU 68 2HB LEU 68 -1.213 -6.104 -2.233 553 2HB LEU 68 1HB LEU 68 -1.849 -7.284 -3.360 554 HG LEU 68 HG LEU 68 0.722 -8.033 -3.404 555 1HD1 LEU 68 1HD1 LEU 68 1.961 -7.492 -1.617 556 2HD1 LEU 68 2HD1 LEU 68 0.585 -7.536 -0.514 557 3HD1 LEU 68 3HD1 LEU 68 0.879 -6.105 -1.503 558 1HD2 LEU 68 1HD2 LEU 68 -0.108 -9.427 -1.236 559 2HD2 LEU 68 2HD2 LEU 68 -0.599 -9.778 -2.891 560 3HD2 LEU 68 3HD2 LEU 68 -1.644 -8.815 -1.849 561 H LYS 69 H LYS 69 1.953 -6.438 -4.021 562 HA LYS 69 HA LYS 69 2.842 -4.297 -2.418 563 1HB LYS 69 2HB LYS 69 4.035 -6.466 -2.696 564 2HB LYS 69 1HB LYS 69 4.477 -5.978 -4.326 565 1HG LYS 69 2HG LYS 69 6.012 -4.437 -3.598 566 2HG LYS 69 1HG LYS 69 5.209 -4.210 -2.043 567 1HD LYS 69 2HD LYS 69 6.936 -5.481 -1.305 568 2HD LYS 69 1HD LYS 69 5.880 -6.796 -1.820 569 1HE LYS 69 2HE LYS 69 7.832 -5.566 -3.731 570 2HE LYS 69 1HE LYS 69 8.358 -6.789 -2.576 571 1HZ LYS 69 1HZ LYS 69 7.244 -8.419 -3.653 572 2HZ LYS 69 2HZ LYS 69 7.457 -7.394 -4.980 573 3HZ LYS 69 3HZ LYS 69 5.983 -7.409 -4.154 574 H ASP 70 H ASP 70 2.836 -4.794 -5.925 575 HA ASP 70 HA ASP 70 4.302 -2.526 -6.670 576 1HB ASP 70 2HB ASP 70 3.595 -4.468 -8.154 577 2HB ASP 70 1HB ASP 70 2.016 -3.698 -8.265 578 H ASN 71 H ASN 71 0.804 -2.966 -6.210 579 HA ASN 71 HA ASN 71 0.031 -0.373 -6.974 580 1HB ASN 71 2HB ASN 71 -1.356 -2.579 -6.434 581 2HB ASN 71 1HB ASN 71 -1.524 -1.799 -4.863 582 1HD2 ASN 71 1HD2 ASN 71 -1.595 -0.742 -8.263 583 2HD2 ASN 71 2HD2 ASN 71 -3.073 0.138 -8.128 584 H PHE 72 H PHE 72 0.689 -1.709 -3.726 585 HA PHE 72 HA PHE 72 0.196 0.665 -2.295 586 1HB PHE 72 2HB PHE 72 0.288 -1.377 -1.065 587 2HB PHE 72 1HB PHE 72 1.892 -1.760 -1.680 588 HD1 PHE 72 2HD PHE 72 -0.005 0.371 0.639 589 HD2 PHE 72 1HD PHE 72 3.852 -0.870 -0.659 590 HE1 PHE 72 2HE PHE 72 0.997 1.426 2.623 591 HE2 PHE 72 1HE PHE 72 4.863 0.184 1.323 592 HZ PHE 72 HZ PHE 72 3.433 1.334 2.965 593 H LYS 73 H LYS 73 3.223 -0.718 -3.543 594 HA LYS 73 HA LYS 73 4.918 1.337 -2.646 595 1HB LYS 73 2HB LYS 73 5.301 -1.076 -3.856 596 2HB LYS 73 1HB LYS 73 5.681 0.023 -5.172 597 1HG LYS 73 2HG LYS 73 7.603 0.689 -4.231 598 2HG LYS 73 1HG LYS 73 6.918 0.719 -2.605 599 1HD LYS 73 2HD LYS 73 7.150 -1.978 -3.685 600 2HD LYS 73 1HD LYS 73 8.703 -1.146 -3.587 601 1HE LYS 73 2HE LYS 73 8.274 -2.370 -1.536 602 2HE LYS 73 1HE LYS 73 8.270 -0.635 -1.226 603 1HZ LYS 73 1HZ LYS 73 6.412 -2.138 -0.248 604 2HZ LYS 73 2HZ LYS 73 5.726 -2.003 -1.787 605 3HZ LYS 73 3HZ LYS 73 6.018 -0.615 -0.867 606 H LEU 74 H LEU 74 2.992 0.990 -5.592 607 HA LEU 74 HA LEU 74 4.145 3.068 -7.079 608 1HB LEU 74 2HB LEU 74 1.848 1.376 -7.278 609 2HB LEU 74 1HB LEU 74 1.348 3.026 -7.594 610 HG LEU 74 HG LEU 74 3.632 1.682 -9.030 611 1HD1 LEU 74 1HD1 LEU 74 1.976 0.437 -9.931 612 2HD1 LEU 74 2HD1 LEU 74 1.720 1.887 -10.899 613 3HD1 LEU 74 3HD1 LEU 74 0.717 1.586 -9.482 614 1HD2 LEU 74 1HD2 LEU 74 3.735 3.542 -10.378 615 2HD2 LEU 74 2HD2 LEU 74 3.329 4.274 -8.825 616 3HD2 LEU 74 3HD2 LEU 74 2.071 4.017 -10.036 617 H MET 75 H MET 75 1.400 3.142 -4.787 618 HA MET 75 HA MET 75 0.906 5.915 -5.122 619 1HB MET 75 2HB MET 75 -0.578 4.059 -4.011 620 2HB MET 75 1HB MET 75 0.270 4.534 -2.548 621 1HG MET 75 2HG MET 75 -1.027 6.616 -4.264 622 2HG MET 75 1HG MET 75 -1.994 5.648 -3.147 623 1HE MET 75 1HE MET 75 -1.148 5.296 -0.604 624 2HE MET 75 2HE MET 75 -0.189 6.485 0.275 625 3HE MET 75 3HE MET 75 0.597 5.372 -0.845 626 H CYS 76 H CYS 76 2.908 4.081 -2.848 627 HA CYS 76 HA CYS 76 3.620 6.180 -1.140 628 1HB CYS 76 2HB CYS 76 4.825 3.549 -1.859 629 2HB CYS 76 1HB CYS 76 5.838 4.706 -1.006 630 HG CYS 76 HG CYS 76 3.333 3.325 0.170 631 H THR 77 H THR 77 5.245 4.980 -4.082 632 HA THR 77 HA THR 77 7.291 6.954 -4.057 633 HB THR 77 HB THR 77 6.294 5.559 -6.538 634 HG1 THR 77 1HG THR 77 7.865 4.495 -4.436 635 1HG2 THR 77 1HG2 THR 77 8.106 6.395 -7.473 636 2HG2 THR 77 2HG2 THR 77 9.105 5.539 -6.299 637 3HG2 THR 77 3HG2 THR 77 8.552 7.180 -5.960 638 H ASN 78 H ASN 78 4.073 6.769 -5.471 639 HA ASN 78 HA ASN 78 4.240 9.064 -7.113 640 1HB ASN 78 2HB ASN 78 1.916 7.584 -5.885 641 2HB ASN 78 1HB ASN 78 1.705 8.975 -6.934 642 1HD2 ASN 78 1HD2 ASN 78 0.459 7.101 -7.964 643 2HD2 ASN 78 2HD2 ASN 78 1.286 6.204 -9.171 644 H ALA 79 H ALA 79 3.362 8.552 -3.740 645 HA ALA 79 HA ALA 79 2.364 11.186 -3.297 646 1HB ALA 79 1HB ALA 79 2.910 10.420 -0.815 647 2HB ALA 79 2HB ALA 79 2.994 8.841 -1.592 648 3HB ALA 79 3HB ALA 79 1.519 9.800 -1.702 649 H MET 80 H MET 80 5.519 9.637 -2.888 650 HA MET 80 HA MET 80 6.656 11.976 -1.638 651 1HB MET 80 2HB MET 80 8.763 10.755 -1.660 652 2HB MET 80 1HB MET 80 7.469 9.745 -1.034 653 1HG MET 80 2HG MET 80 7.303 8.806 -3.404 654 2HG MET 80 1HG MET 80 8.862 9.579 -3.683 655 1HE MET 80 1HE MET 80 10.873 8.793 -3.273 656 2HE MET 80 2HE MET 80 11.372 7.329 -2.427 657 3HE MET 80 3HE MET 80 11.058 8.809 -1.519 658 H ILE 81 H ILE 81 6.408 10.709 -4.894 659 HA ILE 81 HA ILE 81 8.487 12.350 -5.973 660 HB ILE 81 HB ILE 81 7.754 10.260 -7.082 661 1HG1 ILE 81 2HG1 ILE 81 7.621 11.282 -9.426 662 2HG1 ILE 81 1HG1 ILE 81 7.667 12.849 -8.626 663 1HG2 ILE 81 1HG2 ILE 81 5.729 10.116 -8.323 664 2HG2 ILE 81 2HG2 ILE 81 5.335 11.804 -7.987 665 3HG2 ILE 81 3HG2 ILE 81 5.318 10.616 -6.685 666 1HD1 ILE 81 1HD1 ILE 81 9.857 11.895 -9.497 667 2HD1 ILE 81 2HD1 ILE 81 9.770 10.773 -8.139 668 3HD1 ILE 81 3HD1 ILE 81 9.840 12.510 -7.846 669 H TYR 82 H TYR 82 4.913 12.628 -5.896 670 HA TYR 82 HA TYR 82 5.137 15.304 -7.053 671 1HB TYR 82 2HB TYR 82 3.401 13.649 -7.856 672 2HB TYR 82 1HB TYR 82 2.597 13.852 -6.303 673 HD1 TYR 82 1HD TYR 82 4.247 16.493 -8.343 674 HD2 TYR 82 2HD TYR 82 0.574 14.863 -6.937 675 HE1 TYR 82 1HE TYR 82 3.047 18.448 -9.226 676 HE2 TYR 82 2HE TYR 82 -0.630 16.812 -7.820 677 HH TYR 82 HH TYR 82 0.013 19.298 -8.353 678 H ASN 83 H ASN 83 6.132 14.843 -4.358 679 HA ASN 83 HA ASN 83 4.728 17.001 -3.067 680 1HB ASN 83 2HB ASN 83 3.695 14.627 -2.418 681 2HB ASN 83 1HB ASN 83 5.052 14.627 -1.294 682 1HD2 ASN 83 1HD2 ASN 83 5.291 16.855 -0.145 683 2HD2 ASN 83 2HD2 ASN 83 3.826 17.496 0.506 684 H LYS 84 H LYS 84 6.396 18.288 -2.719 685 HA LYS 84 HA LYS 84 9.016 17.270 -2.047 686 1HB LYS 84 2HB LYS 84 7.864 19.790 -2.969 687 2HB LYS 84 1HB LYS 84 9.071 20.033 -1.715 688 1HG LYS 84 2HG LYS 84 10.618 18.591 -3.082 689 2HG LYS 84 1HG LYS 84 9.421 18.682 -4.376 690 1HD LYS 84 2HD LYS 84 10.171 21.263 -3.178 691 2HD LYS 84 1HD LYS 84 11.465 20.436 -4.047 692 1HE LYS 84 2HE LYS 84 10.397 21.810 -5.640 693 2HE LYS 84 1HE LYS 84 9.832 20.173 -5.962 694 1HZ LYS 84 1HZ LYS 84 7.742 20.769 -5.555 695 2HZ LYS 84 2HZ LYS 84 8.264 22.377 -5.580 696 3HZ LYS 84 3HZ LYS 84 8.143 21.552 -4.109 697 HA PRO 85 HA PRO 85 9.095 17.834 2.338 698 1HB PRO 85 2HB PRO 85 11.036 20.063 2.260 699 2HB PRO 85 1HB PRO 85 11.197 18.458 2.980 700 1HG PRO 85 2HG PRO 85 12.513 19.118 0.748 701 2HG PRO 85 1HG PRO 85 11.855 17.486 0.982 702 1HD PRO 85 2HD PRO 85 10.765 19.759 -0.640 703 2HD PRO 85 1HD PRO 85 10.849 18.031 -1.040 704 H GLU 86 H GLU 86 6.881 18.837 1.941 705 HA GLU 86 HA GLU 86 6.664 21.689 2.354 706 1HB GLU 86 2HB GLU 86 4.638 19.471 2.094 707 2HB GLU 86 1HB GLU 86 4.177 21.129 2.455 708 1HG GLU 86 2HG GLU 86 5.688 21.564 0.293 709 2HG GLU 86 1HG GLU 86 5.144 19.925 -0.061 710 H THR 87 H THR 87 5.216 18.939 4.116 711 HA THR 87 HA THR 87 5.994 20.167 6.642 712 HB THR 87 HB THR 87 3.438 19.411 7.255 713 HG1 THR 87 1HG THR 87 3.075 19.191 4.917 714 1HG2 THR 87 1HG2 THR 87 4.561 22.071 6.492 715 2HG2 THR 87 2HG2 THR 87 4.140 21.451 8.088 716 3HG2 THR 87 3HG2 THR 87 2.867 21.890 6.950 717 H ILE 88 H ILE 88 3.567 17.647 6.093 718 HA ILE 88 HA ILE 88 5.471 15.666 7.149 719 HB ILE 88 HB ILE 88 2.522 15.718 7.804 720 1HG1 ILE 88 2HG1 ILE 88 4.436 16.210 9.982 721 2HG1 ILE 88 1HG1 ILE 88 4.378 17.498 8.786 722 1HG2 ILE 88 1HG2 ILE 88 3.508 14.189 9.691 723 2HG2 ILE 88 2HG2 ILE 88 4.812 13.953 8.527 724 3HG2 ILE 88 3HG2 ILE 88 3.156 13.531 8.093 725 1HD1 ILE 88 1HD1 ILE 88 2.842 17.642 10.827 726 2HD1 ILE 88 2HD1 ILE 88 1.868 16.424 10.004 727 3HD1 ILE 88 3HD1 ILE 88 2.157 17.986 9.239 728 H TYR 89 H TYR 89 3.766 16.500 4.471 729 HA TYR 89 HA TYR 89 2.494 14.086 3.726 730 1HB TYR 89 2HB TYR 89 3.300 16.594 2.355 731 2HB TYR 89 1HB TYR 89 3.035 15.184 1.336 732 HD1 TYR 89 2HD TYR 89 1.420 17.346 3.886 733 HD2 TYR 89 1HD TYR 89 0.865 14.505 0.768 734 HE1 TYR 89 2HE TYR 89 -1.002 17.768 3.937 735 HE2 TYR 89 1HE TYR 89 -1.556 14.924 0.808 736 HH TYR 89 HH TYR 89 -3.255 15.774 2.440 737 H TYR 90 H TYR 90 5.717 15.412 2.968 738 HA TYR 90 HA TYR 90 6.547 13.274 1.326 739 1HB TYR 90 2HB TYR 90 7.662 15.509 1.425 740 2HB TYR 90 1HB TYR 90 8.310 15.076 3.003 741 HD1 TYR 90 2HD TYR 90 8.092 13.367 -0.329 742 HD2 TYR 90 1HD TYR 90 10.559 14.573 2.926 743 HE1 TYR 90 2HE TYR 90 10.032 12.326 -1.420 744 HE2 TYR 90 1HE TYR 90 12.505 13.535 1.839 745 HH TYR 90 HH TYR 90 12.825 11.588 0.092 746 H LYS 91 H LYS 91 6.989 13.881 4.801 747 HA LYS 91 HA LYS 91 8.517 11.541 5.292 748 1HB LYS 91 2HB LYS 91 7.099 13.546 6.978 749 2HB LYS 91 1HB LYS 91 7.535 12.012 7.719 750 1HG LYS 91 2HG LYS 91 9.737 12.480 7.725 751 2HG LYS 91 1HG LYS 91 9.669 13.344 6.188 752 1HD LYS 91 2HD LYS 91 8.682 14.418 8.830 753 2HD LYS 91 1HD LYS 91 10.231 14.817 8.085 754 1HE LYS 91 2HE LYS 91 8.543 15.363 6.045 755 2HE LYS 91 1HE LYS 91 7.512 15.736 7.424 756 1HZ LYS 91 1HZ LYS 91 10.186 16.898 6.851 757 2HZ LYS 91 2HZ LYS 91 9.292 17.195 8.256 758 3HZ LYS 91 3HZ LYS 91 8.694 17.693 6.755 759 H ALA 92 H ALA 92 5.052 12.232 5.372 760 HA ALA 92 HA ALA 92 4.189 9.881 6.633 761 1HB ALA 92 1HB ALA 92 2.704 11.773 6.310 762 2HB ALA 92 2HB ALA 92 2.009 10.325 5.581 763 3HB ALA 92 3HB ALA 92 2.765 11.550 4.560 764 H ALA 93 H ALA 93 4.647 10.598 3.174 765 HA ALA 93 HA ALA 93 3.811 8.059 2.238 766 1HB ALA 93 1HB ALA 93 4.031 10.225 0.911 767 2HB ALA 93 2HB ALA 93 4.549 8.739 0.115 768 3HB ALA 93 3HB ALA 93 5.749 9.842 0.789 769 H LYS 94 H LYS 94 6.995 9.385 3.062 770 HA LYS 94 HA LYS 94 8.505 7.153 2.200 771 1HB LYS 94 2HB LYS 94 9.252 9.577 2.818 772 2HB LYS 94 1HB LYS 94 9.392 8.930 4.447 773 1HG LYS 94 2HG LYS 94 10.842 7.099 3.359 774 2HG LYS 94 1HG LYS 94 10.948 8.215 1.995 775 1HD LYS 94 2HD LYS 94 11.474 9.844 4.137 776 2HD LYS 94 1HD LYS 94 12.232 8.326 4.621 777 1HE LYS 94 2HE LYS 94 12.696 9.301 1.850 778 2HE LYS 94 1HE LYS 94 13.509 10.142 3.168 779 1HZ LYS 94 1HZ LYS 94 13.674 7.225 2.636 780 2HZ LYS 94 2HZ LYS 94 14.476 8.051 3.874 781 3HZ LYS 94 3HZ LYS 94 14.871 8.360 2.259 782 H LYS 95 H LYS 95 7.286 8.092 5.417 783 HA LYS 95 HA LYS 95 8.349 5.912 6.835 784 1HB LYS 95 2HB LYS 95 7.053 8.147 7.578 785 2HB LYS 95 1HB LYS 95 5.729 6.999 7.714 786 1HG LYS 95 2HG LYS 95 7.631 5.636 9.022 787 2HG LYS 95 1HG LYS 95 8.173 7.284 9.341 788 1HD LYS 95 2HD LYS 95 5.322 7.079 9.696 789 2HD LYS 95 1HD LYS 95 6.152 5.859 10.665 790 1HE LYS 95 2HE LYS 95 7.694 8.062 11.115 791 2HE LYS 95 1HE LYS 95 6.093 8.781 10.946 792 1HZ LYS 95 1HZ LYS 95 6.813 6.585 12.815 793 2HZ LYS 95 2HZ LYS 95 5.278 7.278 12.656 794 3HZ LYS 95 3HZ LYS 95 6.566 8.203 13.242 795 H LEU 96 H LEU 96 5.272 6.318 5.134 796 HA LEU 96 HA LEU 96 4.085 3.901 5.962 797 1HB LEU 96 2HB LEU 96 3.480 6.027 4.126 798 2HB LEU 96 1HB LEU 96 3.176 4.486 3.349 799 HG LEU 96 HG LEU 96 1.163 5.373 4.423 800 1HD1 LEU 96 1HD1 LEU 96 0.763 3.176 4.451 801 2HD1 LEU 96 2HD1 LEU 96 1.105 3.277 6.178 802 3HD1 LEU 96 3HD1 LEU 96 2.375 2.794 5.056 803 1HD2 LEU 96 1HD2 LEU 96 2.783 6.307 6.364 804 2HD2 LEU 96 2HD2 LEU 96 2.158 4.857 7.148 805 3HD2 LEU 96 3HD2 LEU 96 1.044 6.089 6.556 806 H LEU 97 H LEU 97 6.006 4.706 3.074 807 HA LEU 97 HA LEU 97 5.866 2.266 1.757 808 1HB LEU 97 2HB LEU 97 7.111 4.595 1.245 809 2HB LEU 97 1HB LEU 97 8.494 3.645 1.755 810 HG LEU 97 HG LEU 97 6.609 2.790 -0.438 811 1HD1 LEU 97 1HD1 LEU 97 9.331 3.722 -1.091 812 2HD1 LEU 97 2HD1 LEU 97 8.163 4.966 -0.648 813 3HD1 LEU 97 3HD1 LEU 97 7.825 3.880 -1.995 814 1HD2 LEU 97 1HD2 LEU 97 9.236 1.769 0.598 815 2HD2 LEU 97 2HD2 LEU 97 8.657 1.386 -1.022 816 3HD2 LEU 97 3HD2 LEU 97 7.719 0.896 0.389 817 H HIS 98 H HIS 98 8.131 3.316 4.282 818 HA HIS 98 HA HIS 98 9.697 0.971 4.324 819 1HB HIS 98 2HB HIS 98 9.176 3.071 6.433 820 2HB HIS 98 1HB HIS 98 10.319 1.751 6.654 821 HD1 HIS 98 1HD HIS 98 11.944 3.972 6.906 822 HD2 HIS 98 2HD HIS 98 10.603 2.985 3.097 823 HE1 HIS 98 1HE HIS 98 13.496 5.154 5.317 824 HE2 HIS 98 2HE HIS 98 12.670 4.535 3.018 825 H SER 99 H SER 99 6.814 1.930 6.159 826 HA SER 99 HA SER 99 6.720 -0.313 7.863 827 1HB SER 99 2HB SER 99 4.854 1.844 7.073 828 2HB SER 99 1HB SER 99 4.098 0.358 7.646 829 HG SER 99 HG SER 99 4.458 1.410 9.482 830 H GLY 100 H GLY 100 5.382 0.281 4.639 831 1HA GLY 100 2HA GLY 100 3.851 -2.098 4.476 832 2HA GLY 100 1HA GLY 100 4.385 -1.121 3.118 833 H MET 101 H MET 101 7.223 -1.388 3.745 834 HA MET 101 HA MET 101 7.726 -3.800 2.328 835 1HB MET 101 2HB MET 101 9.234 -1.491 3.166 836 2HB MET 101 1HB MET 101 10.135 -2.958 3.522 837 1HG MET 101 2HG MET 101 9.150 -3.351 0.959 838 2HG MET 101 1HG MET 101 9.640 -1.659 0.994 839 1HE MET 101 1HE MET 101 10.457 -5.175 1.879 840 2HE MET 101 2HE MET 101 12.214 -5.325 1.822 841 3HE MET 101 3HE MET 101 11.281 -5.300 0.324 842 H LYS 102 H LYS 102 8.342 -2.807 5.697 843 HA LYS 102 HA LYS 102 9.512 -5.218 6.523 844 1HB LYS 102 2HB LYS 102 9.002 -4.484 8.820 845 2HB LYS 102 1HB LYS 102 9.729 -3.207 7.854 846 1HG LYS 102 2HG LYS 102 7.504 -2.229 7.504 847 2HG LYS 102 1HG LYS 102 6.805 -3.487 8.524 848 1HD LYS 102 2HD LYS 102 8.934 -2.376 9.981 849 2HD LYS 102 1HD LYS 102 8.054 -1.020 9.276 850 1HE LYS 102 2HE LYS 102 6.369 -3.127 10.441 851 2HE LYS 102 1HE LYS 102 7.382 -2.264 11.597 852 1HZ LYS 102 1HZ LYS 102 5.076 -1.335 11.115 853 2HZ LYS 102 2HZ LYS 102 5.710 -0.813 9.637 854 3HZ LYS 102 3HZ LYS 102 6.369 -0.245 11.087 855 H ILE 103 H ILE 103 6.111 -4.133 6.723 856 HA ILE 103 HA ILE 103 5.139 -6.453 7.988 857 HB ILE 103 HB ILE 103 2.916 -5.758 7.156 858 1HG1 ILE 103 2HG1 ILE 103 3.177 -3.235 6.188 859 2HG1 ILE 103 1HG1 ILE 103 4.570 -4.017 5.453 860 1HG2 ILE 103 1HG2 ILE 103 3.094 -3.380 8.254 861 2HG2 ILE 103 2HG2 ILE 103 4.720 -3.938 8.652 862 3HG2 ILE 103 3HG2 ILE 103 3.314 -4.848 9.206 863 1HD1 ILE 103 1HD1 ILE 103 2.074 -3.991 4.409 864 2HD1 ILE 103 2HD1 ILE 103 2.080 -5.539 5.249 865 3HD1 ILE 103 3HD1 ILE 103 3.307 -5.192 4.033 866 H LEU 104 H LEU 104 5.574 -5.628 4.571 867 HA LEU 104 HA LEU 104 4.163 -7.805 3.486 868 1HB LEU 104 2HB LEU 104 6.130 -5.843 2.507 869 2HB LEU 104 1HB LEU 104 6.068 -7.350 1.611 870 HG LEU 104 HG LEU 104 3.502 -5.944 2.178 871 1HD1 LEU 104 1HD1 LEU 104 3.797 -4.232 0.754 872 2HD1 LEU 104 2HD1 LEU 104 4.839 -5.164 -0.320 873 3HD1 LEU 104 3HD1 LEU 104 5.502 -4.451 1.150 874 1HD2 LEU 104 1HD2 LEU 104 4.169 -7.100 -0.452 875 2HD2 LEU 104 2HD2 LEU 104 2.694 -7.227 0.506 876 3HD2 LEU 104 3HD2 LEU 104 4.087 -8.234 0.895 877 H SER 105 H SER 105 7.375 -7.598 4.857 878 HA SER 105 HA SER 105 8.534 -9.870 3.700 879 1HB SER 105 2HB SER 105 9.104 -9.221 6.565 880 2HB SER 105 1HB SER 105 10.217 -9.669 5.273 881 HG SER 105 HG SER 105 9.734 -7.268 6.134 882 H GLN 106 H GLN 106 6.206 -9.549 6.297 883 HA GLN 106 HA GLN 106 6.473 -12.191 7.319 884 1HB GLN 106 2HB GLN 106 4.565 -9.943 7.662 885 2HB GLN 106 1HB GLN 106 3.983 -11.550 8.074 886 1HG GLN 106 2HG GLN 106 5.990 -11.801 9.549 887 2HG GLN 106 1HG GLN 106 6.343 -10.101 9.244 888 1HE2 GLN 106 1HE2 GLN 106 4.217 -8.717 9.519 889 2HE2 GLN 106 2HE2 GLN 106 3.401 -8.981 11.018 890 H GLU 107 H GLU 107 4.601 -10.778 4.705 891 HA GLU 107 HA GLU 107 2.658 -12.729 4.340 892 1HB GLU 107 2HB GLU 107 3.904 -10.654 2.672 893 2HB GLU 107 1HB GLU 107 3.255 -12.010 1.763 894 1HG GLU 107 2HG GLU 107 1.386 -11.153 3.775 895 2HG GLU 107 1HG GLU 107 1.869 -9.802 2.750 896 H ARG 108 H ARG 108 5.964 -12.628 3.016 897 HA ARG 108 HA ARG 108 5.613 -15.337 1.967 898 1HB ARG 108 2HB ARG 108 7.212 -13.044 1.224 899 2HB ARG 108 1HB ARG 108 8.225 -14.468 1.413 900 1HG ARG 108 2HG ARG 108 6.779 -15.688 -0.150 901 2HG ARG 108 1HG ARG 108 5.798 -14.235 -0.355 902 1HD ARG 108 2HD ARG 108 7.282 -13.288 -1.743 903 2HD ARG 108 1HD ARG 108 8.658 -13.787 -0.763 904 HE ARG 108 HE ARG 108 8.939 -15.585 -2.141 905 1HH1 ARG 108 1HH1 ARG 108 5.711 -14.317 -2.637 906 2HH1 ARG 108 2HH1 ARG 108 5.382 -15.343 -3.990 907 1HH2 ARG 108 1HH2 ARG 108 8.499 -16.935 -3.930 908 2HH2 ARG 108 2HH2 ARG 108 6.965 -16.830 -4.725 909 H LEU 109 H LEU 109 8.061 -13.561 3.881 910 HA LEU 109 HA LEU 109 9.182 -16.031 4.881 911 1HB LEU 109 2HB LEU 109 9.803 -13.159 5.583 912 2HB LEU 109 1HB LEU 109 10.710 -14.550 6.141 913 HG LEU 109 HG LEU 109 10.918 -14.979 3.511 914 1HD1 LEU 109 1HD1 LEU 109 11.476 -12.490 2.719 915 2HD1 LEU 109 2HD1 LEU 109 10.135 -12.143 3.809 916 3HD1 LEU 109 3HD1 LEU 109 9.908 -13.250 2.456 917 1HD2 LEU 109 1HD2 LEU 109 13.007 -13.336 3.777 918 2HD2 LEU 109 2HD2 LEU 109 12.931 -14.918 4.552 919 3HD2 LEU 109 3HD2 LEU 109 12.538 -13.466 5.472 920 H GLU 110 H GLU 110 8.548 -17.067 6.661 921 HA GLU 110 HA GLU 110 7.548 -15.620 8.958 922 1HB GLU 110 2HB GLU 110 5.661 -16.380 7.164 923 2HB GLU 110 1HB GLU 110 5.738 -17.820 8.168 924 1HG GLU 110 2HG GLU 110 5.529 -16.114 10.131 925 2HG GLU 110 1HG GLU 110 4.883 -15.056 8.879 926 H HIS 111 H HIS 111 8.510 -16.498 10.666 927 HA HIS 111 HA HIS 111 9.534 -17.962 12.067 928 1HB HIS 111 2HB HIS 111 7.243 -19.369 10.977 929 2HB HIS 111 1HB HIS 111 8.539 -20.489 11.376 930 HD1 HIS 111 1HD HIS 111 8.728 -21.149 13.771 931 HD2 HIS 111 2HD HIS 111 6.469 -17.695 13.268 932 HE1 HIS 111 1HE HIS 111 7.805 -20.611 16.049 933 HE2 HIS 111 2HE HIS 111 6.355 -18.580 15.696 934 H HIS 112 H HIS 112 11.508 -17.501 10.839 935 HA HIS 112 HA HIS 112 12.490 -19.877 9.392 936 1HB HIS 112 2HB HIS 112 12.183 -17.403 8.291 937 2HB HIS 112 1HB HIS 112 13.845 -17.307 8.861 938 HD1 HIS 112 1HD HIS 112 11.756 -18.707 6.183 939 HD2 HIS 112 2HD HIS 112 15.594 -19.277 7.672 940 HE1 HIS 112 1HE HIS 112 12.990 -19.978 4.397 941 HE2 HIS 112 2HE HIS 112 15.303 -20.334 5.331 942 H HIS 113 H HIS 113 14.902 -20.101 9.456 943 HA HIS 113 HA HIS 113 15.826 -20.219 12.110 944 1HB HIS 113 2HB HIS 113 16.908 -20.828 9.438 945 2HB HIS 113 1HB HIS 113 18.125 -20.403 10.635 946 HD1 HIS 113 1HD HIS 113 15.665 -23.055 9.739 947 HD2 HIS 113 2HD HIS 113 18.430 -22.254 12.736 948 HE1 HIS 113 1HE HIS 113 15.929 -25.213 11.005 949 HE2 HIS 113 2HE HIS 113 17.688 -24.732 12.743 950 H HIS 114 H HIS 114 18.023 -19.262 12.770 951 HA HIS 114 HA HIS 114 19.343 -17.468 13.266 952 1HB HIS 114 2HB HIS 114 19.388 -17.287 10.681 953 2HB HIS 114 1HB HIS 114 18.231 -15.976 10.897 954 HD1 HIS 114 1HD HIS 114 19.213 -13.726 11.237 955 HD2 HIS 114 2HD HIS 114 21.914 -16.752 12.151 956 HE1 HIS 114 1HE HIS 114 21.388 -12.561 11.726 957 HE2 HIS 114 2HE HIS 114 23.018 -14.413 12.238 958 H HIS 115 H HIS 115 19.172 -15.087 13.899 959 HA HIS 115 HA HIS 115 16.493 -14.646 15.003 960 1HB HIS 115 2HB HIS 115 19.150 -13.434 15.795 961 2HB HIS 115 1HB HIS 115 17.611 -13.108 16.582 962 HD1 HIS 115 1HD HIS 115 17.115 -16.454 16.102 963 HD2 HIS 115 2HD HIS 115 19.855 -14.399 18.457 964 HE1 HIS 115 1HE HIS 115 17.829 -18.082 17.877 965 HE2 HIS 115 2HE HIS 115 19.413 -16.786 19.347 966 H HIS 116 H HIS 116 15.218 -13.225 14.053 967 HA HIS 116 HA HIS 116 16.367 -11.206 12.276 968 1HB HIS 116 2HB HIS 116 14.276 -12.870 11.885 969 2HB HIS 116 1HB HIS 116 13.423 -11.473 12.526 970 HD1 HIS 116 1HD HIS 116 15.327 -9.338 11.122 971 HD2 HIS 116 2HD HIS 116 13.414 -12.533 9.275 972 HE1 HIS 116 1HE HIS 116 15.141 -8.701 8.696 973 HE2 HIS 116 2HE HIS 116 13.894 -10.605 7.618
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