NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16020 | 1z9v | 6272 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H HIS 1 H HIS 1 6.954 9.422 -10.349 2 HA HIS 1 HA HIS 1 4.150 8.999 -11.124 3 1HB HIS 1 1HB HIS 1 5.928 7.436 -12.073 4 2HB HIS 1 2HB HIS 1 6.366 7.040 -10.423 5 HD1 HIS 1 HD1 HIS 1 4.262 5.917 -13.151 6 HD2 HIS 1 HD2 HIS 1 4.188 5.718 -9.007 7 HE1 HIS 1 HE1 HIS 1 2.700 4.050 -12.580 8 H MET 2 H MET 2 2.919 9.518 -9.350 9 HA MET 2 HA MET 2 3.227 8.383 -6.790 10 1HB MET 2 1HB MET 2 3.719 10.438 -5.509 11 2HB MET 2 2HB MET 2 5.103 9.847 -6.430 12 1HG MET 2 1HG MET 2 4.619 11.516 -8.144 13 2HG MET 2 2HG MET 2 3.278 12.108 -7.166 14 1HE MET 2 1HE MET 2 4.356 14.572 -7.380 15 2HE MET 2 2HE MET 2 5.732 13.937 -8.279 16 3HE MET 2 3HE MET 2 5.998 14.975 -6.879 17 H THR 3 H THR 3 1.487 8.801 -5.495 18 HA THR 3 HA THR 3 -0.321 10.957 -6.154 19 HB THR 3 HB THR 3 -1.242 8.071 -6.119 20 HG1 THR 3 HG1 THR 3 -0.377 9.744 -8.071 21 1HG2 THR 3 1HG2 THR 3 -2.788 10.636 -6.598 22 2HG2 THR 3 2HG2 THR 3 -2.923 9.599 -5.179 23 3HG2 THR 3 3HG2 THR 3 -3.453 9.011 -6.751 24 H PHE 4 H PHE 4 -1.165 11.810 -4.369 25 HA PHE 4 HA PHE 4 -0.788 10.380 -1.833 26 1HB PHE 4 1HB PHE 4 -0.850 13.363 -2.331 27 2HB PHE 4 2HB PHE 4 -0.449 12.542 -0.814 28 HD1 PHE 4 HD1 PHE 4 1.644 11.370 -0.557 29 HD2 PHE 4 HD2 PHE 4 0.751 13.420 -4.161 30 HE1 PHE 4 HE1 PHE 4 3.974 11.080 -1.298 31 HE2 PHE 4 HE2 PHE 4 3.067 13.149 -4.900 32 HZ PHE 4 HZ PHE 4 4.670 11.946 -3.486 33 H CYS 5 H CYS 5 -3.135 10.895 -3.911 34 HA CYS 5 HA CYS 5 -5.171 12.045 -2.270 35 1HB CYS 5 1HB CYS 5 -5.319 10.629 -4.928 36 2HB CYS 5 2HB CYS 5 -6.520 11.707 -4.230 37 HG CYS 5 HG CYS 5 -5.397 13.096 -6.280 38 H LEU 6 H LEU 6 -6.039 10.802 -0.760 39 HA LEU 6 HA LEU 6 -6.114 7.931 -1.164 40 1HB LEU 6 1HB LEU 6 -6.676 8.049 1.420 41 2HB LEU 6 2HB LEU 6 -5.040 8.092 0.827 42 HG LEU 6 HG LEU 6 -5.149 10.625 1.055 43 1HD1 LEU 6 1HD1 LEU 6 -7.658 10.001 2.588 44 2HD1 LEU 6 2HD1 LEU 6 -7.445 11.183 1.274 45 3HD1 LEU 6 3HD1 LEU 6 -6.701 11.449 2.832 46 1HD2 LEU 6 1HD2 LEU 6 -3.908 9.331 2.595 47 2HD2 LEU 6 2HD2 LEU 6 -5.368 8.935 3.496 48 3HD2 LEU 6 3HD2 LEU 6 -4.773 10.593 3.465 49 H GLU 7 H GLU 7 -8.151 10.508 -0.005 50 HA GLU 7 HA GLU 7 -10.508 8.993 0.405 51 1HB GLU 7 1HB GLU 7 -9.871 11.032 1.609 52 2HB GLU 7 2HB GLU 7 -9.995 11.950 0.128 53 1HG GLU 7 1HG GLU 7 -12.388 11.379 0.057 54 2HG GLU 7 2HG GLU 7 -12.212 10.643 1.657 55 H THR 8 H THR 8 -8.978 10.254 -2.375 56 HA THR 8 HA THR 8 -11.270 10.878 -3.897 57 HB THR 8 HB THR 8 -9.556 10.691 -5.761 58 HG1 THR 8 HG1 THR 8 -7.945 9.488 -5.072 59 1HG2 THR 8 1HG2 THR 8 -8.395 12.751 -5.063 60 2HG2 THR 8 2HG2 THR 8 -8.942 12.494 -3.406 61 3HG2 THR 8 3HG2 THR 8 -10.113 12.833 -4.676 62 H TYR 9 H TYR 9 -9.515 7.973 -3.067 63 HA TYR 9 HA TYR 9 -10.420 6.452 -5.302 64 1HB TYR 9 1HB TYR 9 -8.534 6.023 -3.252 65 2HB TYR 9 2HB TYR 9 -9.807 4.858 -2.962 66 HD1 TYR 9 HD1 TYR 9 -6.784 5.193 -4.557 67 HD2 TYR 9 HD2 TYR 9 -10.722 3.770 -5.301 68 HE1 TYR 9 HE1 TYR 9 -5.918 3.742 -6.343 69 HE2 TYR 9 HE2 TYR 9 -9.870 2.312 -7.077 70 HH TYR 9 HH TYR 9 -6.663 1.551 -7.450 71 H LEU 10 H LEU 10 -11.487 7.146 -2.095 72 HA LEU 10 HA LEU 10 -13.561 5.296 -1.815 73 1HB LEU 10 1HB LEU 10 -12.553 6.866 -0.077 74 2HB LEU 10 2HB LEU 10 -13.483 8.150 -0.795 75 HG LEU 10 HG LEU 10 -14.678 5.722 0.576 76 1HD1 LEU 10 1HD1 LEU 10 -14.287 8.536 1.579 77 2HD1 LEU 10 2HD1 LEU 10 -13.411 7.112 2.126 78 3HD1 LEU 10 3HD1 LEU 10 -15.143 7.250 2.427 79 1HD2 LEU 10 1HD2 LEU 10 -15.954 8.331 -0.276 80 2HD2 LEU 10 2HD2 LEU 10 -16.746 7.028 0.610 81 3HD2 LEU 10 3HD2 LEU 10 -16.206 6.764 -1.048 82 H GLN 11 H GLN 11 -13.353 8.472 -3.301 83 HA GLN 11 HA GLN 11 -16.088 8.875 -3.951 84 1HB GLN 11 1HB GLN 11 -13.592 10.006 -5.196 85 2HB GLN 11 2HB GLN 11 -15.220 10.585 -5.499 86 1HG GLN 11 1HG GLN 11 -15.436 11.285 -3.211 87 2HG GLN 11 2HG GLN 11 -13.859 10.587 -2.830 88 1HE2 GLN 11 1HE2 GLN 11 -13.076 12.546 -2.166 89 2HE2 GLN 11 2HE2 GLN 11 -12.679 13.811 -3.274 90 H GLN 12 H GLN 12 -13.651 6.947 -5.281 91 HA GLN 12 HA GLN 12 -14.944 6.858 -7.837 92 1HB GLN 12 1HB GLN 12 -12.360 5.684 -6.855 93 2HB GLN 12 2HB GLN 12 -13.009 5.366 -8.460 94 1HG GLN 12 1HG GLN 12 -12.882 7.676 -9.041 95 2HG GLN 12 2HG GLN 12 -12.452 8.108 -7.389 96 1HE2 GLN 12 1HE2 GLN 12 -11.114 8.558 -9.920 97 2HE2 GLN 12 2HE2 GLN 12 -9.526 7.927 -9.750 98 H SER 13 H SER 13 -14.138 4.735 -5.121 99 HA SER 13 HA SER 13 -16.299 2.982 -5.895 100 1HB SER 13 1HB SER 13 -13.474 1.909 -5.660 101 2HB SER 13 2HB SER 13 -14.934 0.962 -5.950 102 HG SER 13 HG SER 13 -14.952 2.787 -7.786 103 H GLY 14 H GLY 14 -13.446 2.842 -3.770 104 1HA GLY 14 1HA GLY 14 -15.115 2.977 -1.438 105 2HA GLY 14 2HA GLY 14 -14.377 1.402 -1.722 106 H GLU 15 H GLU 15 -13.795 2.814 0.517 107 HA GLU 15 HA GLU 15 -11.351 4.307 0.128 108 1HB GLU 15 1HB GLU 15 -13.115 5.009 1.744 109 2HB GLU 15 2HB GLU 15 -12.839 3.534 2.648 110 1HG GLU 15 1HG GLU 15 -11.784 5.524 3.631 111 2HG GLU 15 2HG GLU 15 -10.630 4.245 3.239 112 H TYR 16 H TYR 16 -9.366 3.687 1.135 113 HA TYR 16 HA TYR 16 -9.118 0.941 2.109 114 1HB TYR 16 1HB TYR 16 -8.963 0.880 -0.410 115 2HB TYR 16 2HB TYR 16 -7.512 1.860 -0.279 116 HD1 TYR 16 HD1 TYR 16 -8.953 -1.299 1.007 117 HD2 TYR 16 HD2 TYR 16 -5.443 0.746 -0.237 118 HE1 TYR 16 HE1 TYR 16 -7.684 -3.364 1.225 119 HE2 TYR 16 HE2 TYR 16 -4.153 -1.343 -0.015 120 HH TYR 16 HH TYR 16 -5.751 -4.284 0.261 121 H GLU 17 H GLU 17 -8.597 3.881 2.826 122 HA GLU 17 HA GLU 17 -5.919 3.644 3.869 123 1HB GLU 17 1HB GLU 17 -6.937 5.991 2.241 124 2HB GLU 17 2HB GLU 17 -5.367 5.865 2.992 125 1HG GLU 17 1HG GLU 17 -6.228 3.997 0.791 126 2HG GLU 17 2HG GLU 17 -5.548 5.578 0.446 127 H ILE 18 H ILE 18 -5.746 5.611 5.409 128 HA ILE 18 HA ILE 18 -8.412 6.289 6.355 129 HB ILE 18 HB ILE 18 -7.128 5.129 8.140 130 1HG1 ILE 18 1HG1 ILE 18 -7.572 8.049 8.809 131 2HG1 ILE 18 2HG1 ILE 18 -8.814 6.805 8.790 132 1HG2 ILE 18 1HG2 ILE 18 -4.889 5.597 7.722 133 2HG2 ILE 18 2HG2 ILE 18 -5.242 6.418 9.250 134 3HG2 ILE 18 3HG2 ILE 18 -5.160 7.338 7.752 135 1HD1 ILE 18 1HD1 ILE 18 -8.077 7.333 11.055 136 2HD1 ILE 18 2HD1 ILE 18 -6.427 6.876 10.621 137 3HD1 ILE 18 3HD1 ILE 18 -7.704 5.662 10.630 138 H HIS 19 H HIS 19 -8.845 8.459 6.998 139 HA HIS 19 HA HIS 19 -7.883 10.262 5.029 140 1HB HIS 19 1HB HIS 19 -9.637 10.929 7.419 141 2HB HIS 19 2HB HIS 19 -9.442 11.898 5.965 142 HD1 HIS 19 HD1 HIS 19 -11.156 11.383 4.025 143 HD2 HIS 19 HD2 HIS 19 -11.025 8.456 6.999 144 HE1 HIS 19 HE1 HIS 19 -12.996 9.778 3.523 145 H MET 20 H MET 20 -5.798 9.888 5.755 146 HA MET 20 HA MET 20 -4.749 11.902 7.648 147 1HB MET 20 1HB MET 20 -4.011 9.083 7.099 148 2HB MET 20 2HB MET 20 -2.721 10.158 7.617 149 1HG MET 20 1HG MET 20 -5.287 9.595 9.099 150 2HG MET 20 2HG MET 20 -3.745 8.804 9.415 151 1HE MET 20 1HE MET 20 -1.559 11.724 10.817 152 2HE MET 20 2HE MET 20 -1.631 11.170 9.148 153 3HE MET 20 3HE MET 20 -1.637 9.998 10.467 154 H LYS 21 H LYS 21 -2.567 10.124 5.772 155 HA LYS 21 HA LYS 21 -2.518 11.863 3.480 156 1HB LYS 21 1HB LYS 21 -1.281 13.139 5.222 157 2HB LYS 21 2HB LYS 21 -0.201 11.769 5.430 158 1HG LYS 21 1HG LYS 21 0.442 12.022 3.017 159 2HG LYS 21 2HG LYS 21 -0.489 13.520 2.995 160 1HD LYS 21 1HD LYS 21 1.852 12.928 4.812 161 2HD LYS 21 2HD LYS 21 1.899 13.928 3.374 162 1HE LYS 21 1HE LYS 21 0.427 15.552 4.375 163 2HE LYS 21 2HE LYS 21 0.146 14.484 5.753 164 1HZ LYS 21 1HZ LYS 21 2.812 15.544 5.055 165 2HZ LYS 21 2HZ LYS 21 2.312 14.772 6.511 166 3HZ LYS 21 3HZ LYS 21 1.753 16.308 6.129 167 H ARG 22 H ARG 22 -1.953 10.498 1.842 168 HA ARG 22 HA ARG 22 -0.554 8.029 2.629 169 1HB ARG 22 1HB ARG 22 -1.843 6.831 1.084 170 2HB ARG 22 2HB ARG 22 -2.955 8.117 1.406 171 1HG ARG 22 1HG ARG 22 -2.360 9.259 -0.601 172 2HG ARG 22 2HG ARG 22 -1.033 8.135 -0.898 173 1HD ARG 22 1HD ARG 22 -3.982 7.628 -1.007 174 2HD ARG 22 2HD ARG 22 -2.793 7.482 -2.301 175 HE ARG 22 HE ARG 22 -3.069 5.650 0.001 176 1HH1 ARG 22 1HH1 ARG 22 -1.714 6.178 -3.259 177 2HH1 ARG 22 2HH1 ARG 22 -1.337 4.502 -3.419 178 1HH2 ARG 22 1HH2 ARG 22 -2.620 3.474 -0.359 179 2HH2 ARG 22 2HH2 ARG 22 -1.727 3.023 -1.790 180 H ALA 23 H ALA 23 1.339 7.537 1.552 181 HA ALA 23 HA ALA 23 2.167 9.494 -0.458 182 1HB ALA 23 1HB ALA 23 4.477 9.052 0.258 183 2HB ALA 23 2HB ALA 23 3.881 7.958 1.505 184 3HB ALA 23 3HB ALA 23 3.511 9.680 1.593 185 H GLY 24 H GLY 24 1.410 8.333 -2.183 186 1HA GLY 24 1HA GLY 24 2.425 5.577 -2.343 187 2HA GLY 24 2HA GLY 24 0.999 6.164 -3.189 188 H PHE 25 H PHE 25 4.558 6.482 -3.000 189 HA PHE 25 HA PHE 25 4.633 7.895 -5.454 190 1HB PHE 25 1HB PHE 25 6.837 6.450 -3.961 191 2HB PHE 25 2HB PHE 25 7.093 7.443 -5.388 192 HD1 PHE 25 HD1 PHE 25 6.281 7.456 -1.817 193 HD2 PHE 25 HD2 PHE 25 6.963 9.843 -5.261 194 HE1 PHE 25 HE1 PHE 25 6.521 9.438 -0.391 195 HE2 PHE 25 HE2 PHE 25 7.205 11.831 -3.839 196 HZ PHE 25 HZ PHE 25 6.983 11.628 -1.395 197 H ARG 26 H ARG 26 6.116 4.760 -4.823 198 HA ARG 26 HA ARG 26 5.758 4.064 -7.598 199 1HB ARG 26 1HB ARG 26 6.802 2.449 -5.306 200 2HB ARG 26 2HB ARG 26 6.818 1.938 -6.987 201 1HG ARG 26 1HG ARG 26 8.182 4.402 -5.971 202 2HG ARG 26 2HG ARG 26 8.947 2.817 -6.097 203 1HD ARG 26 1HD ARG 26 8.510 2.799 -8.501 204 2HD ARG 26 2HD ARG 26 7.713 4.368 -8.378 205 HE ARG 26 HE ARG 26 10.067 4.917 -7.350 206 1HH1 ARG 26 1HH1 ARG 26 9.322 3.083 -10.283 207 2HH1 ARG 26 2HH1 ARG 26 10.699 3.623 -11.132 208 1HH2 ARG 26 1HH2 ARG 26 11.976 5.630 -8.521 209 2HH2 ARG 26 2HH2 ARG 26 12.218 5.113 -10.116 210 H GLU 27 H GLU 27 4.159 3.227 -4.513 211 HA GLU 27 HA GLU 27 2.796 1.007 -5.569 212 1HB GLU 27 1HB GLU 27 3.203 1.446 -3.167 213 2HB GLU 27 2HB GLU 27 2.064 2.774 -3.221 214 1HG GLU 27 1HG GLU 27 1.296 -0.076 -3.788 215 2HG GLU 27 2HG GLU 27 1.345 0.562 -2.164 216 H CYS 28 H CYS 28 2.481 4.308 -6.094 217 HA CYS 28 HA CYS 28 -0.165 4.729 -6.571 218 1HB CYS 28 1HB CYS 28 1.351 6.564 -6.958 219 2HB CYS 28 2HB CYS 28 2.203 5.699 -8.215 220 HG CYS 28 HG CYS 28 -0.512 7.632 -8.422 221 H ALA 29 H ALA 29 2.076 2.902 -8.639 222 HA ALA 29 HA ALA 29 0.207 2.421 -10.749 223 1HB ALA 29 1HB ALA 29 2.691 0.888 -10.062 224 2HB ALA 29 2HB ALA 29 2.632 2.302 -11.114 225 3HB ALA 29 3HB ALA 29 1.810 0.813 -11.587 226 H ALA 30 H ALA 30 1.283 0.643 -7.944 227 HA ALA 30 HA ALA 30 -0.062 -1.733 -8.398 228 1HB ALA 30 1HB ALA 30 0.333 -2.222 -6.103 229 2HB ALA 30 2HB ALA 30 0.475 -0.511 -5.729 230 3HB ALA 30 3HB ALA 30 1.725 -1.290 -6.690 231 H MET 31 H MET 31 -1.056 1.125 -6.580 232 HA MET 31 HA MET 31 -3.435 0.147 -5.542 233 1HB MET 31 1HB MET 31 -4.233 2.421 -5.222 234 2HB MET 31 2HB MET 31 -2.514 2.353 -4.878 235 1HG MET 31 1HG MET 31 -2.023 3.320 -7.032 236 2HG MET 31 2HG MET 31 -3.731 3.317 -7.441 237 1HE MET 31 1HE MET 31 -1.890 5.812 -7.761 238 2HE MET 31 2HE MET 31 -2.958 7.074 -7.149 239 3HE MET 31 3HE MET 31 -3.608 5.769 -8.142 240 H ILE 32 H ILE 32 -2.921 1.525 -8.719 241 HA ILE 32 HA ILE 32 -5.619 1.582 -9.517 242 HB ILE 32 HB ILE 32 -3.109 1.181 -11.150 243 1HG1 ILE 32 1HG1 ILE 32 -3.045 3.270 -9.919 244 2HG1 ILE 32 2HG1 ILE 32 -3.270 3.601 -11.630 245 1HG2 ILE 32 1HG2 ILE 32 -4.418 2.022 -13.089 246 2HG2 ILE 32 2HG2 ILE 32 -5.876 1.977 -12.093 247 3HG2 ILE 32 3HG2 ILE 32 -5.014 0.484 -12.473 248 1HD1 ILE 32 1HD1 ILE 32 -5.406 3.693 -9.505 249 2HD1 ILE 32 2HD1 ILE 32 -5.659 3.989 -11.224 250 3HD1 ILE 32 3HD1 ILE 32 -4.635 5.075 -10.285 251 H GLU 33 H GLU 33 -3.192 -0.943 -9.684 252 HA GLU 33 HA GLU 33 -4.906 -2.783 -11.067 253 1HB GLU 33 1HB GLU 33 -2.149 -3.043 -9.865 254 2HB GLU 33 2HB GLU 33 -2.981 -4.335 -10.713 255 1HG GLU 33 1HG GLU 33 -2.345 -1.675 -11.927 256 2HG GLU 33 2HG GLU 33 -1.376 -3.140 -12.127 257 H LYS 34 H LYS 34 -4.036 -2.112 -7.795 258 HA LYS 34 HA LYS 34 -4.734 -4.516 -6.523 259 1HB LYS 34 1HB LYS 34 -4.442 -1.690 -5.701 260 2HB LYS 34 2HB LYS 34 -5.165 -2.836 -4.585 261 1HG LYS 34 1HG LYS 34 -3.209 -4.077 -4.404 262 2HG LYS 34 2HG LYS 34 -2.517 -3.374 -5.864 263 1HD LYS 34 1HD LYS 34 -1.645 -2.589 -3.577 264 2HD LYS 34 2HD LYS 34 -1.967 -1.380 -4.808 265 1HE LYS 34 1HE LYS 34 -4.166 -0.915 -3.758 266 2HE LYS 34 2HE LYS 34 -3.844 -2.112 -2.511 267 1HZ LYS 34 1HZ LYS 34 -2.027 -0.717 -1.712 268 2HZ LYS 34 2HZ LYS 34 -3.376 0.315 -1.892 269 3HZ LYS 34 3HZ LYS 34 -2.170 0.242 -3.060 270 H LYS 35 H LYS 35 -6.600 -1.970 -7.794 271 HA LYS 35 HA LYS 35 -8.934 -2.239 -6.241 272 1HB LYS 35 1HB LYS 35 -8.458 -0.283 -7.611 273 2HB LYS 35 2HB LYS 35 -8.540 -1.277 -9.058 274 1HG LYS 35 1HG LYS 35 -10.916 -1.739 -8.552 275 2HG LYS 35 2HG LYS 35 -10.811 -0.625 -7.190 276 1HD LYS 35 1HD LYS 35 -11.780 0.480 -9.102 277 2HD LYS 35 2HD LYS 35 -10.182 1.169 -8.754 278 1HE LYS 35 1HE LYS 35 -9.231 -0.229 -10.560 279 2HE LYS 35 2HE LYS 35 -10.847 -0.850 -10.897 280 1HZ LYS 35 1HZ LYS 35 -9.951 1.960 -11.145 281 2HZ LYS 35 2HZ LYS 35 -11.524 1.410 -11.422 282 3HZ LYS 35 3HZ LYS 35 -10.268 0.889 -12.406 283 H ALA 36 H ALA 36 -7.600 -4.067 -8.873 284 HA ALA 36 HA ALA 36 -10.060 -5.111 -9.795 285 1HB ALA 36 1HB ALA 36 -8.169 -4.873 -11.314 286 2HB ALA 36 2HB ALA 36 -8.675 -6.561 -11.224 287 3HB ALA 36 3HB ALA 36 -7.241 -6.023 -10.355 288 H ARG 37 H ARG 37 -7.288 -6.561 -8.150 289 HA ARG 37 HA ARG 37 -9.102 -8.386 -6.764 290 1HB ARG 37 1HB ARG 37 -6.715 -9.261 -8.408 291 2HB ARG 37 2HB ARG 37 -7.471 -10.289 -7.216 292 1HG ARG 37 1HG ARG 37 -9.503 -10.352 -8.529 293 2HG ARG 37 2HG ARG 37 -8.828 -9.184 -9.669 294 1HD ARG 37 1HD ARG 37 -8.670 -11.504 -10.513 295 2HD ARG 37 2HD ARG 37 -7.093 -10.752 -10.311 296 HE ARG 37 HE ARG 37 -7.813 -12.198 -7.992 297 1HH1 ARG 37 1HH1 ARG 37 -6.754 -12.763 -11.328 298 2HH1 ARG 37 2HH1 ARG 37 -5.917 -14.188 -10.999 299 1HH2 ARG 37 1HH2 ARG 37 -6.618 -14.186 -7.507 300 2HH2 ARG 37 2HH2 ARG 37 -5.829 -15.025 -8.750 301 H ARG 38 H ARG 38 -5.680 -8.406 -7.221 302 HA ARG 38 HA ARG 38 -4.817 -7.121 -4.944 303 1HB ARG 38 1HB ARG 38 -3.930 -9.078 -3.721 304 2HB ARG 38 2HB ARG 38 -5.696 -9.102 -3.812 305 1HG ARG 38 1HG ARG 38 -5.592 -10.824 -5.501 306 2HG ARG 38 2HG ARG 38 -3.825 -10.785 -5.445 307 1HD ARG 38 1HD ARG 38 -4.601 -12.605 -4.039 308 2HD ARG 38 2HD ARG 38 -3.923 -11.303 -3.060 309 HE ARG 38 HE ARG 38 -6.807 -11.400 -3.462 310 1HH1 ARG 38 1HH1 ARG 38 -4.069 -11.752 -1.259 311 2HH1 ARG 38 2HH1 ARG 38 -4.967 -11.669 0.167 312 1HH2 ARG 38 1HH2 ARG 38 -8.105 -11.344 -1.562 313 2HH2 ARG 38 2HH2 ARG 38 -7.401 -11.461 -0.015 314 H VAL 39 H VAL 39 -2.886 -6.458 -5.568 315 HA VAL 39 HA VAL 39 -1.522 -8.084 -7.544 316 HB VAL 39 HB VAL 39 -2.209 -5.168 -7.843 317 1HG1 VAL 39 1HG1 VAL 39 -0.326 -6.809 -9.574 318 2HG1 VAL 39 2HG1 VAL 39 0.134 -5.449 -8.553 319 3HG1 VAL 39 3HG1 VAL 39 -0.897 -5.186 -9.960 320 1HG2 VAL 39 1HG2 VAL 39 -3.201 -5.995 -10.025 321 2HG2 VAL 39 2HG2 VAL 39 -3.947 -6.638 -8.575 322 3HG2 VAL 39 3HG2 VAL 39 -2.809 -7.620 -9.480 323 H VAL 40 H VAL 40 0.601 -8.014 -7.559 324 HA VAL 40 HA VAL 40 1.842 -6.716 -5.304 325 HB VAL 40 HB VAL 40 2.262 -9.137 -5.423 326 1HG1 VAL 40 1HG1 VAL 40 3.455 -10.176 -7.280 327 2HG1 VAL 40 2HG1 VAL 40 3.409 -8.650 -8.162 328 3HG1 VAL 40 3HG1 VAL 40 1.909 -9.500 -7.790 329 1HG2 VAL 40 1HG2 VAL 40 4.115 -7.768 -4.580 330 2HG2 VAL 40 2HG2 VAL 40 4.751 -7.614 -6.216 331 3HG2 VAL 40 3HG2 VAL 40 4.715 -9.192 -5.431 332 H HIS 41 H HIS 41 3.520 -5.260 -5.569 333 HA HIS 41 HA HIS 41 4.066 -4.546 -8.330 334 1HB HIS 41 1HB HIS 41 2.522 -2.965 -7.247 335 2HB HIS 41 2HB HIS 41 3.693 -2.669 -5.971 336 HD1 HIS 41 HD1 HIS 41 2.973 -1.798 -9.632 337 HD2 HIS 41 HD2 HIS 41 5.627 -0.809 -6.583 338 HE1 HIS 41 HE1 HIS 41 4.483 -0.024 -10.539 339 H ILE 42 H ILE 42 6.128 -4.621 -8.788 340 HA ILE 42 HA ILE 42 8.000 -5.120 -6.651 341 HB ILE 42 HB ILE 42 8.167 -6.587 -8.601 342 1HG1 ILE 42 1HG1 ILE 42 10.517 -4.685 -8.482 343 2HG1 ILE 42 2HG1 ILE 42 10.241 -6.046 -7.406 344 1HG2 ILE 42 1HG2 ILE 42 8.836 -5.766 -10.825 345 2HG2 ILE 42 2HG2 ILE 42 8.646 -4.110 -10.247 346 3HG2 ILE 42 3HG2 ILE 42 7.248 -5.182 -10.326 347 1HD1 ILE 42 1HD1 ILE 42 11.909 -6.560 -9.078 348 2HD1 ILE 42 2HD1 ILE 42 10.754 -6.195 -10.360 349 3HD1 ILE 42 3HD1 ILE 42 10.479 -7.571 -9.290 350 H LYS 43 H LYS 43 9.568 -3.773 -6.037 351 HA LYS 43 HA LYS 43 10.643 -1.875 -5.617 352 1HB LYS 43 1HB LYS 43 9.978 -1.093 -8.464 353 2HB LYS 43 2HB LYS 43 10.934 -0.096 -7.394 354 1HG LYS 43 1HG LYS 43 12.567 -1.981 -7.244 355 2HG LYS 43 2HG LYS 43 11.631 -2.795 -8.503 356 1HD LYS 43 1HD LYS 43 11.984 -0.919 -10.010 357 2HD LYS 43 2HD LYS 43 12.861 -0.053 -8.750 358 1HE LYS 43 1HE LYS 43 14.517 -1.885 -8.709 359 2HE LYS 43 2HE LYS 43 13.667 -2.643 -10.053 360 1HZ LYS 43 1HZ LYS 43 14.962 0.032 -10.102 361 2HZ LYS 43 2HZ LYS 43 14.119 -0.658 -11.384 362 3HZ LYS 43 3HZ LYS 43 15.530 -1.373 -10.839 363 HA PRO 44 HA PRO 44 6.646 0.294 -4.962 364 1HB PRO 44 1HB PRO 44 6.512 -0.568 -2.241 365 2HB PRO 44 2HB PRO 44 5.428 -0.998 -3.556 366 1HG PRO 44 1HG PRO 44 7.207 -2.713 -2.269 367 2HG PRO 44 2HG PRO 44 6.388 -3.017 -3.812 368 1HD PRO 44 1HD PRO 44 9.153 -2.203 -3.257 369 2HD PRO 44 2HD PRO 44 8.446 -3.111 -4.612 370 H GLY 45 H GLY 45 6.404 2.205 -3.564 371 1HA GLY 45 1HA GLY 45 8.690 2.967 -1.898 372 2HA GLY 45 2HA GLY 45 8.509 3.873 -3.408 373 H GLU 46 H GLU 46 5.994 2.570 -1.463 374 HA GLU 46 HA GLU 46 4.898 5.229 -1.126 375 1HB GLU 46 1HB GLU 46 2.815 4.121 -1.231 376 2HB GLU 46 2HB GLU 46 3.846 3.238 -2.259 377 1HG GLU 46 1HG GLU 46 3.311 2.330 0.562 378 2HG GLU 46 2HG GLU 46 2.478 1.726 -0.867 379 H LYS 47 H LYS 47 3.572 5.345 0.818 380 HA LYS 47 HA LYS 47 4.161 3.817 3.117 381 1HB LYS 47 1HB LYS 47 5.621 6.197 2.720 382 2HB LYS 47 2HB LYS 47 4.345 6.600 3.865 383 1HG LYS 47 1HG LYS 47 6.311 4.377 4.098 384 2HG LYS 47 2HG LYS 47 6.381 5.882 5.012 385 1HD LYS 47 1HD LYS 47 4.258 5.284 6.111 386 2HD LYS 47 2HD LYS 47 4.161 3.831 5.138 387 1HE LYS 47 1HE LYS 47 6.373 3.123 6.132 388 2HE LYS 47 2HE LYS 47 6.228 4.479 7.245 389 1HZ LYS 47 1HZ LYS 47 5.508 2.377 8.198 390 2HZ LYS 47 2HZ LYS 47 4.322 2.200 7.034 391 3HZ LYS 47 3HZ LYS 47 4.211 3.438 8.170 392 H ILE 48 H ILE 48 2.138 3.367 3.411 393 HA ILE 48 HA ILE 48 0.215 5.415 2.812 394 HB ILE 48 HB ILE 48 -1.497 3.637 2.931 395 1HG1 ILE 48 1HG1 ILE 48 0.881 1.769 3.254 396 2HG1 ILE 48 2HG1 ILE 48 -0.337 2.080 4.482 397 1HG2 ILE 48 1HG2 ILE 48 0.835 3.134 1.090 398 2HG2 ILE 48 2HG2 ILE 48 -0.492 4.266 0.820 399 3HG2 ILE 48 3HG2 ILE 48 -0.803 2.530 0.841 400 1HD1 ILE 48 1HD1 ILE 48 -2.038 1.084 3.040 401 2HD1 ILE 48 2HD1 ILE 48 -0.720 -0.045 3.368 402 3HD1 ILE 48 3HD1 ILE 48 -0.813 0.776 1.810 403 H LEU 49 H LEU 49 -0.113 6.747 4.243 404 HA LEU 49 HA LEU 49 -0.895 7.842 6.023 405 1HB LEU 49 1HB LEU 49 -2.008 5.265 7.098 406 2HB LEU 49 2HB LEU 49 -2.536 6.885 7.459 407 HG LEU 49 HG LEU 49 -4.213 6.262 6.096 408 1HD1 LEU 49 1HD1 LEU 49 -2.284 7.199 4.069 409 2HD1 LEU 49 2HD1 LEU 49 -3.355 8.165 5.081 410 3HD1 LEU 49 3HD1 LEU 49 -4.031 7.082 3.869 411 1HD2 LEU 49 1HD2 LEU 49 -4.047 4.692 4.196 412 2HD2 LEU 49 2HD2 LEU 49 -3.535 3.994 5.730 413 3HD2 LEU 49 3HD2 LEU 49 -2.328 4.508 4.551 414 H GLY 50 H GLY 50 1.451 5.689 6.362 415 1HA GLY 50 1HA GLY 50 3.199 5.883 7.976 416 2HA GLY 50 2HA GLY 50 2.017 6.531 9.122 417 H ALA 51 H ALA 51 -0.013 4.706 8.661 418 HA ALA 51 HA ALA 51 1.005 2.069 9.347 419 1HB ALA 51 1HB ALA 51 -0.727 1.913 11.122 420 2HB ALA 51 2HB ALA 51 -1.121 3.613 10.866 421 3HB ALA 51 3HB ALA 51 0.467 3.160 11.487 422 H ARG 52 H ARG 52 -0.352 0.469 8.460 423 HA ARG 52 HA ARG 52 -2.019 1.411 6.330 424 1HB ARG 52 1HB ARG 52 -0.616 -0.549 5.990 425 2HB ARG 52 2HB ARG 52 -1.466 -1.396 7.273 426 1HG ARG 52 1HG ARG 52 -3.549 -1.248 5.940 427 2HG ARG 52 2HG ARG 52 -2.616 -0.527 4.631 428 1HD ARG 52 1HD ARG 52 -1.231 -2.520 4.501 429 2HD ARG 52 2HD ARG 52 -2.116 -3.234 5.850 430 HE ARG 52 HE ARG 52 -3.457 -2.506 3.346 431 1HH1 ARG 52 1HH1 ARG 52 -2.657 -4.941 5.815 432 2HH1 ARG 52 2HH1 ARG 52 -3.644 -6.137 5.192 433 1HH2 ARG 52 1HH2 ARG 52 -4.829 -4.222 2.424 434 2HH2 ARG 52 2HH2 ARG 52 -4.955 -5.716 3.252 435 H ILE 53 H ILE 53 -3.931 2.260 6.889 436 HA ILE 53 HA ILE 53 -5.745 0.551 8.420 437 HB ILE 53 HB ILE 53 -5.781 3.571 8.241 438 1HG1 ILE 53 1HG1 ILE 53 -4.925 1.800 10.566 439 2HG1 ILE 53 2HG1 ILE 53 -3.859 2.808 9.603 440 1HG2 ILE 53 1HG2 ILE 53 -7.422 1.650 9.919 441 2HG2 ILE 53 2HG2 ILE 53 -7.999 2.578 8.538 442 3HG2 ILE 53 3HG2 ILE 53 -7.518 3.408 10.017 443 1HD1 ILE 53 1HD1 ILE 53 -4.320 3.791 11.776 444 2HD1 ILE 53 2HD1 ILE 53 -6.049 3.789 11.422 445 3HD1 ILE 53 3HD1 ILE 53 -4.955 4.802 10.479 446 H ILE 54 H ILE 54 -7.245 -0.155 7.097 447 HA ILE 54 HA ILE 54 -7.565 0.891 4.431 448 HB ILE 54 HB ILE 54 -9.104 -1.249 5.938 449 1HG1 ILE 54 1HG1 ILE 54 -6.801 -1.491 3.983 450 2HG1 ILE 54 2HG1 ILE 54 -6.708 -1.769 5.715 451 1HG2 ILE 54 1HG2 ILE 54 -9.001 -0.783 2.974 452 2HG2 ILE 54 2HG2 ILE 54 -10.345 -0.314 4.012 453 3HG2 ILE 54 3HG2 ILE 54 -9.936 -2.020 3.814 454 1HD1 ILE 54 1HD1 ILE 54 -6.759 -3.856 4.484 455 2HD1 ILE 54 2HD1 ILE 54 -8.282 -3.395 3.728 456 3HD1 ILE 54 3HD1 ILE 54 -8.216 -3.693 5.465 457 H GLY 55 H GLY 55 -9.309 1.040 7.449 458 1HA GLY 55 1HA GLY 55 -10.769 2.824 8.037 459 2HA GLY 55 2HA GLY 55 -10.932 3.203 6.322 460 H ILE 56 H ILE 56 -11.278 0.398 5.724 461 HA ILE 56 HA ILE 56 -14.118 0.126 6.376 462 HB ILE 56 HB ILE 56 -12.414 -1.314 4.309 463 1HG1 ILE 56 1HG1 ILE 56 -12.632 1.046 3.706 464 2HG1 ILE 56 2HG1 ILE 56 -13.554 0.045 2.596 465 1HG2 ILE 56 1HG2 ILE 56 -14.529 -2.100 3.343 466 2HG2 ILE 56 2HG2 ILE 56 -15.405 -1.324 4.659 467 3HG2 ILE 56 3HG2 ILE 56 -14.307 -2.658 5.002 468 1HD1 ILE 56 1HD1 ILE 56 -14.763 2.063 3.153 469 2HD1 ILE 56 2HD1 ILE 56 -14.659 1.681 4.869 470 3HD1 ILE 56 3HD1 ILE 56 -15.612 0.654 3.793 471 HA PRO 57 HA PRO 57 -12.779 -3.068 9.308 472 1HB PRO 57 1HB PRO 57 -15.493 -4.169 8.773 473 2HB PRO 57 2HB PRO 57 -14.730 -3.764 10.316 474 1HG PRO 57 1HG PRO 57 -16.622 -2.202 9.312 475 2HG PRO 57 2HG PRO 57 -15.199 -1.502 10.107 476 1HD PRO 57 1HD PRO 57 -15.810 -1.748 7.188 477 2HD PRO 57 2HD PRO 57 -15.079 -0.399 8.091 478 HA PRO 58 HA PRO 58 -12.209 -6.301 6.177 479 1HB PRO 58 1HB PRO 58 -9.598 -6.355 6.204 480 2HB PRO 58 2HB PRO 58 -10.426 -4.907 5.609 481 1HG PRO 58 1HG PRO 58 -8.948 -5.304 8.163 482 2HG PRO 58 2HG PRO 58 -9.227 -3.810 7.255 483 1HD PRO 58 1HD PRO 58 -10.745 -4.861 9.498 484 2HD PRO 58 2HD PRO 58 -10.944 -3.314 8.638 485 H VAL 59 H VAL 59 -10.779 -8.265 6.247 486 HA VAL 59 HA VAL 59 -11.037 -9.670 8.768 487 HB VAL 59 HB VAL 59 -9.962 -10.640 6.076 488 1HG1 VAL 59 1HG1 VAL 59 -9.151 -11.995 7.925 489 2HG1 VAL 59 2HG1 VAL 59 -10.319 -12.899 6.961 490 3HG1 VAL 59 3HG1 VAL 59 -10.799 -12.211 8.513 491 1HG2 VAL 59 1HG2 VAL 59 -12.130 -11.723 5.773 492 2HG2 VAL 59 2HG2 VAL 59 -12.315 -9.972 5.953 493 3HG2 VAL 59 3HG2 VAL 59 -12.685 -11.041 7.302 494 HA PRO 60 HA PRO 60 -6.912 -8.175 9.591 495 1HB PRO 60 1HB PRO 60 -6.649 -9.060 12.082 496 2HB PRO 60 2HB PRO 60 -7.841 -7.822 11.664 497 1HG PRO 60 1HG PRO 60 -8.244 -10.756 12.103 498 2HG PRO 60 2HG PRO 60 -9.215 -9.392 12.682 499 1HD PRO 60 1HD PRO 60 -9.844 -10.894 10.473 500 2HD PRO 60 2HD PRO 60 -10.358 -9.213 10.727 501 H ILE 61 H ILE 61 -6.849 -10.645 8.008 502 HA ILE 61 HA ILE 61 -4.791 -12.151 9.473 503 HB ILE 61 HB ILE 61 -6.464 -13.003 7.067 504 1HG1 ILE 61 1HG1 ILE 61 -6.586 -13.965 9.929 505 2HG1 ILE 61 2HG1 ILE 61 -7.729 -12.845 9.207 506 1HG2 ILE 61 1HG2 ILE 61 -4.218 -14.053 7.097 507 2HG2 ILE 61 2HG2 ILE 61 -5.498 -15.228 7.380 508 3HG2 ILE 61 3HG2 ILE 61 -4.531 -14.643 8.730 509 1HD1 ILE 61 1HD1 ILE 61 -8.406 -14.592 7.623 510 2HD1 ILE 61 2HD1 ILE 61 -8.632 -15.095 9.298 511 3HD1 ILE 61 3HD1 ILE 61 -7.255 -15.698 8.371 512 H GLY 62 H GLY 62 -2.744 -12.424 8.407 513 1HA GLY 62 1HA GLY 62 -2.342 -11.796 5.756 514 2HA GLY 62 2HA GLY 62 -2.028 -10.333 6.675 515 H ILE 63 H ILE 63 -0.261 -12.059 5.109 516 HA ILE 63 HA ILE 63 1.620 -12.966 7.167 517 HB ILE 63 HB ILE 63 1.354 -13.861 4.274 518 1HG1 ILE 63 1HG1 ILE 63 0.621 -15.343 6.810 519 2HG1 ILE 63 2HG1 ILE 63 -0.519 -14.665 5.658 520 1HG2 ILE 63 1HG2 ILE 63 3.656 -13.991 5.095 521 2HG2 ILE 63 2HG2 ILE 63 2.968 -15.592 4.822 522 3HG2 ILE 63 3HG2 ILE 63 3.096 -14.961 6.462 523 1HD1 ILE 63 1HD1 ILE 63 0.333 -16.219 3.946 524 2HD1 ILE 63 2HD1 ILE 63 -0.322 -17.054 5.354 525 3HD1 ILE 63 3HD1 ILE 63 1.422 -16.911 5.147 526 H ASP 64 H ASP 64 2.545 -10.817 7.338 527 HA ASP 64 HA ASP 64 3.845 -9.855 4.919 528 1HB ASP 64 1HB ASP 64 4.350 -7.775 6.168 529 2HB ASP 64 2HB ASP 64 2.635 -8.134 6.219 530 H GLU 65 H GLU 65 5.763 -10.496 4.467 531 HA GLU 65 HA GLU 65 7.320 -11.784 6.544 532 1HB GLU 65 1HB GLU 65 7.731 -11.716 3.559 533 2HB GLU 65 2HB GLU 65 8.744 -12.610 4.679 534 1HG GLU 65 1HG GLU 65 5.809 -13.060 4.157 535 2HG GLU 65 2HG GLU 65 7.142 -14.088 3.636 536 H GLU 66 H GLU 66 8.262 -9.631 3.903 537 HA GLU 66 HA GLU 66 9.944 -8.104 5.717 538 1HB GLU 66 1HB GLU 66 11.196 -10.165 4.793 539 2HB GLU 66 2HB GLU 66 11.036 -9.402 3.220 540 1HG GLU 66 1HG GLU 66 12.404 -7.549 3.970 541 2HG GLU 66 2HG GLU 66 12.529 -8.284 5.571 542 H ARG 67 H ARG 67 10.815 -6.249 4.341 543 HA ARG 67 HA ARG 67 8.640 -5.240 2.700 544 1HB ARG 67 1HB ARG 67 10.366 -3.964 4.339 545 2HB ARG 67 2HB ARG 67 11.265 -3.806 2.844 546 1HG ARG 67 1HG ARG 67 8.433 -2.858 3.263 547 2HG ARG 67 2HG ARG 67 9.878 -1.847 3.358 548 1HD ARG 67 1HD ARG 67 10.328 -2.193 1.025 549 2HD ARG 67 2HD ARG 67 9.029 -3.376 0.903 550 HE ARG 67 HE ARG 67 7.563 -1.380 1.581 551 1HH1 ARG 67 1HH1 ARG 67 10.482 -1.009 -0.405 552 2HH1 ARG 67 2HH1 ARG 67 9.806 0.233 -1.371 553 1HH2 ARG 67 1HH2 ARG 67 6.668 0.344 0.220 554 2HH2 ARG 67 2HH2 ARG 67 7.653 1.015 -0.961 555 H SER 68 H SER 68 11.866 -6.472 2.334 556 HA SER 68 HA SER 68 11.897 -6.131 -0.497 557 1HB SER 68 1HB SER 68 14.094 -7.572 0.267 558 2HB SER 68 2HB SER 68 14.021 -5.800 0.180 559 HG SER 68 HG SER 68 14.060 -7.486 2.373 560 H THR 69 H THR 69 9.953 -7.770 0.678 561 HA THR 69 HA THR 69 10.213 -10.155 -0.891 562 HB THR 69 HB THR 69 9.598 -10.299 2.099 563 HG1 THR 69 HG1 THR 69 11.977 -10.407 0.750 564 1HG2 THR 69 1HG2 THR 69 9.776 -12.745 1.803 565 2HG2 THR 69 2HG2 THR 69 10.067 -12.511 0.078 566 3HG2 THR 69 3HG2 THR 69 8.510 -12.072 0.777 567 H VAL 70 H VAL 70 7.887 -11.155 -0.795 568 HA VAL 70 HA VAL 70 5.981 -9.006 -1.024 569 HB VAL 70 HB VAL 70 4.367 -10.741 -1.624 570 1HG1 VAL 70 1HG1 VAL 70 5.631 -9.857 -3.420 571 2HG1 VAL 70 2HG1 VAL 70 5.444 -11.592 -3.680 572 3HG1 VAL 70 3HG1 VAL 70 6.975 -10.945 -3.084 573 1HG2 VAL 70 1HG2 VAL 70 6.604 -12.697 -1.102 574 2HG2 VAL 70 2HG2 VAL 70 5.067 -13.096 -1.868 575 3HG2 VAL 70 3HG2 VAL 70 5.100 -12.551 -0.193 576 H MET 71 H MET 71 4.078 -8.883 0.024 577 HA MET 71 HA MET 71 3.902 -10.276 2.575 578 1HB MET 71 1HB MET 71 2.732 -8.357 3.562 579 2HB MET 71 2HB MET 71 4.281 -7.819 2.953 580 1HG MET 71 1HG MET 71 3.225 -6.765 1.060 581 2HG MET 71 2HG MET 71 1.663 -7.448 1.505 582 1HE MET 71 1HE MET 71 1.146 -3.626 2.223 583 2HE MET 71 2HE MET 71 0.533 -5.043 1.374 584 3HE MET 71 3HE MET 71 2.078 -4.339 0.907 585 H ILE 72 H ILE 72 2.177 -11.495 2.720 586 HA ILE 72 HA ILE 72 0.223 -11.324 0.526 587 HB ILE 72 HB ILE 72 0.859 -13.721 2.287 588 1HG1 ILE 72 1HG1 ILE 72 1.816 -13.171 -0.535 589 2HG1 ILE 72 2HG1 ILE 72 2.810 -12.992 0.904 590 1HG2 ILE 72 1HG2 ILE 72 -0.336 -14.998 0.595 591 2HG2 ILE 72 2HG2 ILE 72 -0.587 -13.537 -0.347 592 3HG2 ILE 72 3HG2 ILE 72 -1.379 -13.715 1.223 593 1HD1 ILE 72 1HD1 ILE 72 3.259 -15.085 -0.252 594 2HD1 ILE 72 2HD1 ILE 72 1.565 -15.549 -0.067 595 3HD1 ILE 72 3HD1 ILE 72 2.590 -15.376 1.355 596 HA PRO 73 HA PRO 73 -2.121 -10.313 4.321 597 1HB PRO 73 1HB PRO 73 -3.582 -8.330 2.826 598 2HB PRO 73 2HB PRO 73 -2.422 -8.080 4.132 599 1HG PRO 73 1HG PRO 73 -1.950 -7.352 1.535 600 2HG PRO 73 2HG PRO 73 -0.670 -7.763 2.689 601 1HD PRO 73 1HD PRO 73 -1.929 -9.481 0.573 602 2HD PRO 73 2HD PRO 73 -0.210 -9.298 1.004 603 H TYR 74 H TYR 74 -4.073 -11.056 4.910 604 HA TYR 74 HA TYR 74 -5.839 -11.892 2.794 605 1HB TYR 74 1HB TYR 74 -5.263 -13.235 5.432 606 2HB TYR 74 2HB TYR 74 -6.654 -13.664 4.434 607 HD1 TYR 74 HD1 TYR 74 -6.233 -14.527 2.120 608 HD2 TYR 74 HD2 TYR 74 -3.129 -14.116 4.992 609 HE1 TYR 74 HE1 TYR 74 -4.841 -16.056 0.816 610 HE2 TYR 74 HE2 TYR 74 -1.723 -15.653 3.694 611 HH TYR 74 HH TYR 74 -1.960 -17.373 2.076 612 H THR 75 H THR 75 -5.919 -9.507 3.476 613 HA THR 75 HA THR 75 -7.961 -9.058 5.476 614 HB THR 75 HB THR 75 -7.492 -6.682 4.948 615 HG1 THR 75 HG1 THR 75 -6.598 -7.456 2.781 616 1HG2 THR 75 1HG2 THR 75 -5.262 -6.585 6.002 617 2HG2 THR 75 2HG2 THR 75 -5.028 -8.299 5.660 618 3HG2 THR 75 3HG2 THR 75 -6.283 -7.789 6.788 619 H LYS 76 H LYS 76 -10.026 -9.095 4.716 620 HA LYS 76 HA LYS 76 -10.374 -8.732 1.858 621 1HB LYS 76 1HB LYS 76 -11.313 -10.802 2.822 622 2HB LYS 76 2HB LYS 76 -12.333 -9.837 3.876 623 1HG LYS 76 1HG LYS 76 -13.587 -10.676 1.966 624 2HG LYS 76 2HG LYS 76 -13.491 -8.913 1.939 625 1HD LYS 76 1HD LYS 76 -11.647 -9.046 0.318 626 2HD LYS 76 2HD LYS 76 -11.763 -10.808 0.350 627 1HE LYS 76 1HE LYS 76 -14.029 -10.667 -0.529 628 2HE LYS 76 2HE LYS 76 -13.928 -8.907 -0.526 629 1HZ LYS 76 1HZ LYS 76 -12.197 -10.726 -2.094 630 2HZ LYS 76 2HZ LYS 76 -12.134 -9.035 -2.133 631 3HZ LYS 76 3HZ LYS 76 -13.487 -9.842 -2.715 632 HA PRO 77 HA PRO 77 -12.349 -4.886 3.119 633 1HB PRO 77 1HB PRO 77 -11.010 -3.336 1.360 634 2HB PRO 77 2HB PRO 77 -10.300 -3.865 2.890 635 1HG PRO 77 1HG PRO 77 -9.527 -4.628 0.199 636 2HG PRO 77 2HG PRO 77 -8.745 -5.031 1.735 637 1HD PRO 77 1HD PRO 77 -10.654 -6.614 0.135 638 2HD PRO 77 2HD PRO 77 -9.449 -7.133 1.341 639 H CYS 78 H CYS 78 -12.919 -3.039 1.315 640 HA CYS 78 HA CYS 78 -14.673 -4.355 -0.611 641 1HB CYS 78 1HB CYS 78 -14.770 -1.711 0.816 642 2HB CYS 78 2HB CYS 78 -15.973 -2.248 -0.378 643 HG CYS 78 HG CYS 78 -15.370 -4.082 2.454 644 H TYR 79 H TYR 79 -11.938 -3.950 -1.060 645 HA TYR 79 HA TYR 79 -11.922 -2.019 -3.262 646 1HB TYR 79 1HB TYR 79 -11.067 -0.807 -1.350 647 2HB TYR 79 2HB TYR 79 -9.969 -2.110 -0.966 648 HD1 TYR 79 HD1 TYR 79 -10.501 0.891 -2.923 649 HD2 TYR 79 HD2 TYR 79 -7.946 -2.454 -2.366 650 HE1 TYR 79 HE1 TYR 79 -8.679 2.075 -4.068 651 HE2 TYR 79 HE2 TYR 79 -6.141 -1.291 -3.512 652 HH TYR 79 HH TYR 79 -6.268 2.030 -4.136 653 H GLY 80 H GLY 80 -9.423 -3.964 -1.589 654 1HA GLY 80 1HA GLY 80 -9.218 -6.145 -3.167 655 2HA GLY 80 2HA GLY 80 -8.320 -4.888 -4.024 656 H THR 81 H THR 81 -6.610 -6.612 -3.362 657 HA THR 81 HA THR 81 -5.660 -5.886 -0.678 658 HB THR 81 HB THR 81 -5.098 -8.444 -2.161 659 HG1 THR 81 HG1 THR 81 -7.329 -8.035 -1.493 660 1HG2 THR 81 1HG2 THR 81 -4.716 -7.678 0.741 661 2HG2 THR 81 2HG2 THR 81 -3.428 -7.868 -0.448 662 3HG2 THR 81 3HG2 THR 81 -4.383 -9.266 0.048 663 H ALA 82 H ALA 82 -3.387 -5.597 -0.379 664 HA ALA 82 HA ALA 82 -1.993 -4.740 -2.813 665 1HB ALA 82 1HB ALA 82 -0.817 -3.170 -1.380 666 2HB ALA 82 2HB ALA 82 -1.671 -3.796 0.029 667 3HB ALA 82 3HB ALA 82 -2.561 -2.942 -1.226 668 H VAL 83 H VAL 83 -0.237 -5.913 -3.308 669 HA VAL 83 HA VAL 83 1.264 -7.214 -1.146 670 HB VAL 83 HB VAL 83 0.983 -8.152 -4.033 671 1HG1 VAL 83 1HG1 VAL 83 2.078 -10.203 -3.253 672 2HG1 VAL 83 2HG1 VAL 83 2.209 -9.511 -1.638 673 3HG1 VAL 83 3HG1 VAL 83 3.090 -8.782 -2.980 674 1HG2 VAL 83 1HG2 VAL 83 -0.369 -10.032 -3.196 675 2HG2 VAL 83 2HG2 VAL 83 -1.157 -8.482 -2.905 676 3HG2 VAL 83 3HG2 VAL 83 -0.347 -9.319 -1.582 677 H VAL 84 H VAL 84 3.288 -6.386 -1.038 678 HA VAL 84 HA VAL 84 4.254 -5.005 -3.425 679 HB VAL 84 HB VAL 84 5.235 -3.225 -2.050 680 1HG1 VAL 84 1HG1 VAL 84 3.023 -2.806 -2.781 681 2HG1 VAL 84 2HG1 VAL 84 3.282 -2.101 -1.185 682 3HG1 VAL 84 3HG1 VAL 84 2.360 -3.595 -1.351 683 1HG2 VAL 84 1HG2 VAL 84 4.856 -3.071 0.382 684 2HG2 VAL 84 2HG2 VAL 84 5.799 -4.501 -0.037 685 3HG2 VAL 84 3HG2 VAL 84 4.090 -4.663 0.359 686 H GLU 85 H GLU 85 6.495 -5.262 -3.832 687 HA GLU 85 HA GLU 85 8.072 -6.682 -1.880 688 1HB GLU 85 1HB GLU 85 7.117 -8.533 -3.164 689 2HB GLU 85 2HB GLU 85 7.697 -7.815 -4.667 690 1HG GLU 85 1HG GLU 85 9.998 -8.104 -3.943 691 2HG GLU 85 2HG GLU 85 9.440 -8.722 -2.390 692 H LEU 86 H LEU 86 9.861 -5.691 -1.708 693 HA LEU 86 HA LEU 86 10.759 -3.971 -3.869 694 1HB LEU 86 1HB LEU 86 10.493 -3.107 -1.560 695 2HB LEU 86 2HB LEU 86 11.705 -4.234 -1.009 696 HG LEU 86 HG LEU 86 13.275 -3.085 -2.626 697 1HD1 LEU 86 1HD1 LEU 86 11.108 -1.022 -2.590 698 2HD1 LEU 86 2HD1 LEU 86 11.703 -1.940 -3.977 699 3HD1 LEU 86 3HD1 LEU 86 12.755 -0.778 -3.173 700 1HD2 LEU 86 1HD2 LEU 86 13.744 -1.276 -1.019 701 2HD2 LEU 86 2HD2 LEU 86 13.452 -2.822 -0.230 702 3HD2 LEU 86 3HD2 LEU 86 12.195 -1.588 -0.241 703 HA PRO 87 HA PRO 87 13.943 -7.172 -4.574 704 1HB PRO 87 1HB PRO 87 14.982 -6.183 -6.837 705 2HB PRO 87 2HB PRO 87 13.367 -6.904 -6.825 706 1HG PRO 87 1HG PRO 87 14.152 -4.022 -6.786 707 2HG PRO 87 2HG PRO 87 12.859 -4.816 -7.700 708 1HD PRO 87 1HD PRO 87 12.482 -3.433 -5.343 709 2HD PRO 87 2HD PRO 87 11.393 -4.701 -5.940 710 H VAL 88 H VAL 88 14.213 -4.140 -3.574 711 HA VAL 88 HA VAL 88 17.140 -3.961 -3.523 712 HB VAL 88 HB VAL 88 15.113 -1.907 -2.556 713 1HG1 VAL 88 1HG1 VAL 88 16.905 -0.279 -2.874 714 2HG1 VAL 88 2HG1 VAL 88 17.992 -1.577 -3.361 715 3HG1 VAL 88 3HG1 VAL 88 17.345 -1.537 -1.719 716 1HG2 VAL 88 1HG2 VAL 88 15.338 -0.721 -4.689 717 2HG2 VAL 88 2HG2 VAL 88 14.644 -2.327 -4.912 718 3HG2 VAL 88 3HG2 VAL 88 16.334 -2.034 -5.314 719 H ASP 89 H ASP 89 17.940 -3.289 -1.248 720 HA ASP 89 HA ASP 89 17.034 -5.245 0.625 721 1HB ASP 89 1HB ASP 89 19.067 -3.012 0.793 722 2HB ASP 89 2HB ASP 89 18.733 -4.060 2.157 723 HA PRO 90 HA PRO 90 14.142 -2.841 3.032 724 1HB PRO 90 1HB PRO 90 14.774 -3.498 5.593 725 2HB PRO 90 2HB PRO 90 13.963 -4.615 4.491 726 1HG PRO 90 1HG PRO 90 16.872 -4.431 5.178 727 2HG PRO 90 2HG PRO 90 15.825 -5.863 5.112 728 1HD PRO 90 1HD PRO 90 17.457 -5.281 3.092 729 2HD PRO 90 2HD PRO 90 15.831 -5.920 2.796 730 H GLU 91 H GLU 91 17.104 -1.877 2.608 731 HA GLU 91 HA GLU 91 17.630 -0.073 4.740 732 1HB GLU 91 1HB GLU 91 19.352 0.871 3.165 733 2HB GLU 91 2HB GLU 91 19.492 -0.851 3.442 734 1HG GLU 91 1HG GLU 91 19.889 -0.695 1.178 735 2HG GLU 91 2HG GLU 91 18.173 -1.061 1.212 736 H GLU 92 H GLU 92 15.693 -0.117 2.017 737 HA GLU 92 HA GLU 92 15.178 2.614 1.579 738 1HB GLU 92 1HB GLU 92 14.554 0.642 0.117 739 2HB GLU 92 2HB GLU 92 13.258 0.304 1.252 740 1HG GLU 92 1HG GLU 92 12.380 1.476 -0.641 741 2HG GLU 92 2HG GLU 92 12.314 2.534 0.769 742 H ILE 93 H ILE 93 14.220 0.465 4.124 743 HA ILE 93 HA ILE 93 11.833 1.637 4.858 744 HB ILE 93 HB ILE 93 13.786 0.026 6.521 745 1HG1 ILE 93 1HG1 ILE 93 11.134 -0.657 5.231 746 2HG1 ILE 93 2HG1 ILE 93 12.721 -1.141 4.651 747 1HG2 ILE 93 1HG2 ILE 93 10.982 0.869 7.299 748 2HG2 ILE 93 2HG2 ILE 93 12.471 1.425 8.059 749 3HG2 ILE 93 3HG2 ILE 93 11.996 -0.270 8.187 750 1HD1 ILE 93 1HD1 ILE 93 13.043 -2.481 6.663 751 2HD1 ILE 93 2HD1 ILE 93 11.589 -2.961 5.790 752 3HD1 ILE 93 3HD1 ILE 93 11.458 -1.981 7.252 753 H GLU 94 H GLU 94 15.079 2.709 5.368 754 HA GLU 94 HA GLU 94 14.633 4.343 7.630 755 1HB GLU 94 1HB GLU 94 16.687 4.562 5.432 756 2HB GLU 94 2HB GLU 94 16.682 5.571 6.871 757 1HG GLU 94 1HG GLU 94 16.904 3.544 8.255 758 2HG GLU 94 2HG GLU 94 16.997 2.580 6.780 759 H ARG 95 H ARG 95 14.318 4.883 4.181 760 HA ARG 95 HA ARG 95 13.702 7.683 4.526 761 1HB ARG 95 1HB ARG 95 13.175 5.907 2.143 762 2HB ARG 95 2HB ARG 95 12.984 7.653 2.147 763 1HG ARG 95 1HG ARG 95 15.012 7.279 1.036 764 2HG ARG 95 2HG ARG 95 15.520 7.671 2.683 765 1HD ARG 95 1HD ARG 95 15.639 5.331 3.214 766 2HD ARG 95 2HD ARG 95 15.100 4.919 1.597 767 HE ARG 95 HE ARG 95 17.602 6.379 2.027 768 1HH1 ARG 95 1HH1 ARG 95 15.847 3.808 0.458 769 2HH1 ARG 95 2HH1 ARG 95 17.218 2.814 0.191 770 1HH2 ARG 95 1HH2 ARG 95 19.523 5.146 1.519 771 2HH2 ARG 95 2HH2 ARG 95 19.358 3.621 0.749 772 H ILE 96 H ILE 96 12.077 4.672 4.128 773 HA ILE 96 HA ILE 96 9.481 5.518 3.753 774 HB ILE 96 HB ILE 96 10.723 3.081 4.901 775 1HG1 ILE 96 1HG1 ILE 96 9.309 3.567 2.282 776 2HG1 ILE 96 2HG1 ILE 96 11.044 3.438 2.535 777 1HG2 ILE 96 1HG2 ILE 96 8.516 3.216 5.964 778 2HG2 ILE 96 2HG2 ILE 96 8.655 1.840 4.876 779 3HG2 ILE 96 3HG2 ILE 96 7.769 3.266 4.358 780 1HD1 ILE 96 1HD1 ILE 96 9.034 1.229 2.931 781 2HD1 ILE 96 2HD1 ILE 96 10.781 1.085 3.137 782 3HD1 ILE 96 3HD1 ILE 96 10.104 1.419 1.547 783 H LEU 97 H LEU 97 11.352 5.105 6.693 784 HA LEU 97 HA LEU 97 9.281 5.364 8.595 785 1HB LEU 97 1HB LEU 97 11.568 4.579 9.115 786 2HB LEU 97 2HB LEU 97 12.184 6.186 8.807 787 HG LEU 97 HG LEU 97 10.840 7.018 10.734 788 1HD1 LEU 97 1HD1 LEU 97 9.119 5.314 10.791 789 2HD1 LEU 97 2HD1 LEU 97 9.961 5.392 12.338 790 3HD1 LEU 97 3HD1 LEU 97 10.320 4.091 11.204 791 1HD2 LEU 97 1HD2 LEU 97 12.309 6.074 12.458 792 2HD2 LEU 97 2HD2 LEU 97 13.200 6.495 10.998 793 3HD2 LEU 97 3HD2 LEU 97 12.807 4.809 11.334 794 H GLU 98 H GLU 98 11.233 7.689 6.879 795 HA GLU 98 HA GLU 98 10.243 10.021 8.266 796 1HB GLU 98 1HB GLU 98 12.505 9.820 7.217 797 2HB GLU 98 2HB GLU 98 11.710 9.749 5.655 798 1HG GLU 98 1HG GLU 98 12.553 11.951 6.010 799 2HG GLU 98 2HG GLU 98 10.792 11.988 6.028 800 H VAL 99 H VAL 99 9.792 8.423 5.209 801 HA VAL 99 HA VAL 99 7.992 10.283 4.079 802 HB VAL 99 HB VAL 99 8.921 7.508 3.251 803 1HG1 VAL 99 1HG1 VAL 99 8.007 7.954 0.995 804 2HG1 VAL 99 2HG1 VAL 99 7.336 9.482 1.571 805 3HG1 VAL 99 3HG1 VAL 99 6.700 7.959 2.185 806 1HG2 VAL 99 1HG2 VAL 99 10.630 9.191 3.213 807 2HG2 VAL 99 2HG2 VAL 99 9.614 10.252 2.235 808 3HG2 VAL 99 3HG2 VAL 99 10.207 8.733 1.563 809 H ALA 100 H ALA 100 7.479 8.285 6.592 810 HA ALA 100 HA ALA 100 5.234 6.819 6.405 811 1HB ALA 100 1HB ALA 100 5.783 8.810 8.598 812 2HB ALA 100 2HB ALA 100 6.448 7.179 8.498 813 3HB ALA 100 3HB ALA 100 4.712 7.414 8.721 814 H GLU 101 H GLU 101 5.367 10.279 6.661 815 HA GLU 101 HA GLU 101 3.242 10.538 5.048 816 1HB GLU 101 1HB GLU 101 1.654 11.857 6.520 817 2HB GLU 101 2HB GLU 101 1.788 10.180 6.959 818 1HG GLU 101 1HG GLU 101 1.630 11.319 8.958 819 2HG GLU 101 2HG GLU 101 3.359 11.003 8.814 820 HA PRO 102 HA PRO 102 6.502 13.523 4.311 821 1HB PRO 102 1HB PRO 102 4.644 14.044 2.029 822 2HB PRO 102 2HB PRO 102 6.395 13.799 2.009 823 1HG PRO 102 1HG PRO 102 4.851 11.816 1.241 824 2HG PRO 102 2HG PRO 102 6.193 11.490 2.362 825 1HD PRO 102 1HD PRO 102 3.277 11.786 2.965 826 2HD PRO 102 2HD PRO 102 4.446 10.558 3.517 Start of MODEL 2 1 H HIS 1 H HIS 1 4.056 7.323 -13.745 2 HA HIS 1 HA HIS 1 2.476 8.532 -12.364 3 1HB HIS 1 1HB HIS 1 2.473 5.524 -11.964 4 2HB HIS 1 2HB HIS 1 1.109 6.562 -11.586 5 HD1 HIS 1 HD1 HIS 1 -0.015 7.785 -13.723 6 HD2 HIS 1 HD2 HIS 1 2.651 4.702 -14.547 7 HE1 HIS 1 HE1 HIS 1 -0.443 7.107 -16.112 8 H MET 2 H MET 2 1.766 9.148 -10.349 9 HA MET 2 HA MET 2 2.981 8.081 -7.948 10 1HB MET 2 1HB MET 2 3.052 11.017 -8.753 11 2HB MET 2 2HB MET 2 3.430 10.413 -7.152 12 1HG MET 2 1HG MET 2 5.381 9.250 -8.041 13 2HG MET 2 2HG MET 2 4.973 9.801 -9.663 14 1HE MET 2 1HE MET 2 8.186 11.896 -8.727 15 2HE MET 2 2HE MET 2 7.477 10.785 -9.894 16 3HE MET 2 3HE MET 2 7.831 10.233 -8.258 17 H THR 3 H THR 3 1.347 7.966 -6.452 18 HA THR 3 HA THR 3 -1.094 9.423 -7.125 19 HB THR 3 HB THR 3 -1.367 7.007 -7.378 20 HG1 THR 3 HG1 THR 3 -3.094 6.723 -5.857 21 1HG2 THR 3 1HG2 THR 3 -1.276 5.507 -5.428 22 2HG2 THR 3 2HG2 THR 3 -0.664 6.841 -4.448 23 3HG2 THR 3 3HG2 THR 3 0.296 6.220 -5.794 24 H PHE 4 H PHE 4 -1.952 10.758 -5.694 25 HA PHE 4 HA PHE 4 -1.077 10.586 -2.919 26 1HB PHE 4 1HB PHE 4 -1.200 13.176 -4.494 27 2HB PHE 4 2HB PHE 4 -0.804 13.028 -2.783 28 HD1 PHE 4 HD1 PHE 4 0.470 12.984 -6.117 29 HD2 PHE 4 HD2 PHE 4 1.221 11.661 -2.152 30 HE1 PHE 4 HE1 PHE 4 2.817 12.574 -6.701 31 HE2 PHE 4 HE2 PHE 4 3.572 11.255 -2.727 32 HZ PHE 4 HZ PHE 4 4.367 11.697 -4.999 33 H CYS 5 H CYS 5 -3.606 10.391 -4.863 34 HA CYS 5 HA CYS 5 -5.430 11.914 -3.202 35 1HB CYS 5 1HB CYS 5 -5.894 10.283 -5.706 36 2HB CYS 5 2HB CYS 5 -7.117 11.237 -4.875 37 HG CYS 5 HG CYS 5 -6.668 13.393 -6.100 38 H LEU 6 H LEU 6 -5.798 10.848 -1.304 39 HA LEU 6 HA LEU 6 -6.428 8.052 -1.617 40 1HB LEU 6 1HB LEU 6 -6.284 7.840 0.933 41 2HB LEU 6 2HB LEU 6 -4.818 7.954 0.010 42 HG LEU 6 HG LEU 6 -4.472 10.266 0.836 43 1HD1 LEU 6 1HD1 LEU 6 -5.901 11.212 2.559 44 2HD1 LEU 6 2HD1 LEU 6 -6.996 9.837 2.438 45 3HD1 LEU 6 3HD1 LEU 6 -6.836 10.957 1.085 46 1HD2 LEU 6 1HD2 LEU 6 -4.049 9.723 3.126 47 2HD2 LEU 6 2HD2 LEU 6 -3.682 8.300 2.145 48 3HD2 LEU 6 3HD2 LEU 6 -5.179 8.390 3.057 49 H GLU 7 H GLU 7 -7.732 11.006 -0.460 50 HA GLU 7 HA GLU 7 -10.030 9.824 0.710 51 1HB GLU 7 1HB GLU 7 -9.030 11.962 1.481 52 2HB GLU 7 2HB GLU 7 -9.500 12.701 -0.038 53 1HG GLU 7 1HG GLU 7 -11.834 12.373 0.502 54 2HG GLU 7 2HG GLU 7 -11.388 11.560 2.002 55 H THR 8 H THR 8 -9.086 10.783 -2.434 56 HA THR 8 HA THR 8 -11.582 11.188 -3.608 57 HB THR 8 HB THR 8 -9.189 9.878 -4.826 58 HG1 THR 8 HG1 THR 8 -9.412 12.667 -4.883 59 1HG2 THR 8 1HG2 THR 8 -11.180 10.109 -6.262 60 2HG2 THR 8 2HG2 THR 8 -9.860 11.119 -6.842 61 3HG2 THR 8 3HG2 THR 8 -11.199 11.848 -5.960 62 H TYR 9 H TYR 9 -9.559 8.394 -2.921 63 HA TYR 9 HA TYR 9 -11.251 6.564 -4.229 64 1HB TYR 9 1HB TYR 9 -8.838 6.320 -2.521 65 2HB TYR 9 2HB TYR 9 -9.820 4.884 -2.776 66 HD1 TYR 9 HD1 TYR 9 -7.752 7.460 -4.428 67 HD2 TYR 9 HD2 TYR 9 -9.843 3.788 -4.897 68 HE1 TYR 9 HE1 TYR 9 -6.689 7.138 -6.620 69 HE2 TYR 9 HE2 TYR 9 -8.787 3.454 -7.085 70 HH TYR 9 HH TYR 9 -7.803 4.846 -8.815 71 H LEU 10 H LEU 10 -10.849 7.746 -1.046 72 HA LEU 10 HA LEU 10 -12.499 5.954 0.333 73 1HB LEU 10 1HB LEU 10 -10.787 7.646 1.189 74 2HB LEU 10 2HB LEU 10 -11.996 8.867 0.922 75 HG LEU 10 HG LEU 10 -12.481 6.578 2.817 76 1HD1 LEU 10 1HD1 LEU 10 -11.216 9.256 3.378 77 2HD1 LEU 10 2HD1 LEU 10 -10.415 7.687 3.477 78 3HD1 LEU 10 3HD1 LEU 10 -11.720 8.086 4.594 79 1HD2 LEU 10 1HD2 LEU 10 -14.027 8.168 3.837 80 2HD2 LEU 10 2HD2 LEU 10 -14.427 7.909 2.137 81 3HD2 LEU 10 3HD2 LEU 10 -13.591 9.382 2.633 82 H GLN 11 H GLN 11 -13.104 8.925 -1.428 83 HA GLN 11 HA GLN 11 -15.879 9.087 -0.850 84 1HB GLN 11 1HB GLN 11 -14.022 10.382 -2.802 85 2HB GLN 11 2HB GLN 11 -15.745 10.705 -2.880 86 1HG GLN 11 1HG GLN 11 -15.713 11.620 -0.654 87 2HG GLN 11 2HG GLN 11 -14.041 11.113 -0.431 88 1HE2 GLN 11 1HE2 GLN 11 -13.427 13.198 0.015 89 2HE2 GLN 11 2HE2 GLN 11 -13.269 14.405 -1.204 90 H GLN 12 H GLN 12 -13.919 7.734 -3.406 91 HA GLN 12 HA GLN 12 -16.128 7.106 -5.066 92 1HB GLN 12 1HB GLN 12 -13.243 6.269 -5.217 93 2HB GLN 12 2HB GLN 12 -14.444 5.749 -6.384 94 1HG GLN 12 1HG GLN 12 -13.736 8.615 -5.817 95 2HG GLN 12 2HG GLN 12 -13.081 7.659 -7.143 96 1HE2 GLN 12 1HE2 GLN 12 -14.661 10.095 -7.185 97 2HE2 GLN 12 2HE2 GLN 12 -16.063 9.733 -8.130 98 H SER 13 H SER 13 -14.748 5.618 -2.396 99 HA SER 13 HA SER 13 -15.265 3.891 -1.233 100 1HB SER 13 1HB SER 13 -17.305 3.158 -3.357 101 2HB SER 13 2HB SER 13 -17.146 2.350 -1.796 102 HG SER 13 HG SER 13 -17.373 5.112 -1.803 103 H GLY 14 H GLY 14 -13.594 2.640 -1.117 104 1HA GLY 14 1HA GLY 14 -12.886 0.363 -2.023 105 2HA GLY 14 2HA GLY 14 -12.689 1.252 -3.535 106 H GLU 15 H GLU 15 -12.075 2.177 -0.239 107 HA GLU 15 HA GLU 15 -9.445 3.061 -0.988 108 1HB GLU 15 1HB GLU 15 -9.554 4.361 1.109 109 2HB GLU 15 2HB GLU 15 -10.840 4.750 -0.018 110 1HG GLU 15 1HG GLU 15 -11.263 2.845 2.288 111 2HG GLU 15 2HG GLU 15 -11.413 4.583 2.479 112 H TYR 16 H TYR 16 -7.712 2.690 0.519 113 HA TYR 16 HA TYR 16 -7.938 0.496 2.486 114 1HB TYR 16 1HB TYR 16 -6.988 -0.217 0.184 115 2HB TYR 16 2HB TYR 16 -5.679 0.901 0.484 116 HD1 TYR 16 HD1 TYR 16 -7.268 -2.223 1.676 117 HD2 TYR 16 HD2 TYR 16 -3.782 0.204 1.732 118 HE1 TYR 16 HE1 TYR 16 -6.010 -4.065 2.714 119 HE2 TYR 16 HE2 TYR 16 -2.518 -1.618 2.779 120 HH TYR 16 HH TYR 16 -3.811 -4.821 3.061 121 H GLU 17 H GLU 17 -8.029 3.378 2.483 122 HA GLU 17 HA GLU 17 -5.582 4.135 3.850 123 1HB GLU 17 1HB GLU 17 -6.903 5.751 1.680 124 2HB GLU 17 2HB GLU 17 -5.545 6.283 2.629 125 1HG GLU 17 1HG GLU 17 -4.572 5.697 0.624 126 2HG GLU 17 2HG GLU 17 -4.347 4.230 1.568 127 H ILE 18 H ILE 18 -5.995 6.289 4.897 128 HA ILE 18 HA ILE 18 -8.774 6.431 5.496 129 HB ILE 18 HB ILE 18 -7.343 5.469 7.461 130 1HG1 ILE 18 1HG1 ILE 18 -9.206 7.787 8.097 131 2HG1 ILE 18 2HG1 ILE 18 -9.706 6.148 7.707 132 1HG2 ILE 18 1HG2 ILE 18 -6.742 8.393 7.880 133 2HG2 ILE 18 2HG2 ILE 18 -5.568 7.159 7.441 134 3HG2 ILE 18 3HG2 ILE 18 -6.370 7.093 9.011 135 1HD1 ILE 18 1HD1 ILE 18 -8.634 5.340 9.728 136 2HD1 ILE 18 2HD1 ILE 18 -9.795 6.616 10.096 137 3HD1 ILE 18 3HD1 ILE 18 -8.067 6.968 10.090 138 H HIS 19 H HIS 19 -8.845 8.922 6.943 139 HA HIS 19 HA HIS 19 -8.348 10.820 4.830 140 1HB HIS 19 1HB HIS 19 -9.298 11.251 7.671 141 2HB HIS 19 2HB HIS 19 -9.184 12.535 6.480 142 HD1 HIS 19 HD1 HIS 19 -11.060 12.552 4.568 143 HD2 HIS 19 HD2 HIS 19 -11.438 9.535 7.426 144 HE1 HIS 19 HE1 HIS 19 -13.354 11.633 4.311 145 H MET 20 H MET 20 -5.973 9.774 5.456 146 HA MET 20 HA MET 20 -4.436 11.813 6.912 147 1HB MET 20 1HB MET 20 -4.310 8.944 6.519 148 2HB MET 20 2HB MET 20 -2.716 9.689 6.623 149 1HG MET 20 1HG MET 20 -3.493 10.629 8.833 150 2HG MET 20 2HG MET 20 -4.958 9.668 8.643 151 1HE MET 20 1HE MET 20 -2.995 9.504 11.164 152 2HE MET 20 2HE MET 20 -2.949 7.760 11.415 153 3HE MET 20 3HE MET 20 -4.473 8.551 11.011 154 H LYS 21 H LYS 21 -1.955 10.591 5.454 155 HA LYS 21 HA LYS 21 -2.463 11.925 2.902 156 1HB LYS 21 1HB LYS 21 -1.066 13.181 4.656 157 2HB LYS 21 2HB LYS 21 0.150 11.941 4.440 158 1HG LYS 21 1HG LYS 21 -0.844 13.640 2.164 159 2HG LYS 21 2HG LYS 21 0.472 14.145 3.214 160 1HD LYS 21 1HD LYS 21 1.768 12.213 2.535 161 2HD LYS 21 2HD LYS 21 0.418 11.629 1.557 162 1HE LYS 21 1HE LYS 21 0.563 13.566 0.128 163 2HE LYS 21 2HE LYS 21 1.819 14.267 1.146 164 1HZ LYS 21 1HZ LYS 21 3.288 12.459 0.538 165 2HZ LYS 21 2HZ LYS 21 2.729 13.209 -0.843 166 3HZ LYS 21 3HZ LYS 21 2.048 11.730 -0.349 167 H ARG 22 H ARG 22 -1.817 10.771 1.104 168 HA ARG 22 HA ARG 22 -0.455 8.211 1.629 169 1HB ARG 22 1HB ARG 22 -1.795 7.126 0.066 170 2HB ARG 22 2HB ARG 22 -2.878 8.432 0.439 171 1HG ARG 22 1HG ARG 22 -2.175 9.687 -1.489 172 2HG ARG 22 2HG ARG 22 -0.948 8.486 -1.881 173 1HD ARG 22 1HD ARG 22 -3.949 8.113 -1.940 174 2HD ARG 22 2HD ARG 22 -2.898 8.290 -3.332 175 HE ARG 22 HE ARG 22 -1.869 6.086 -2.512 176 1HH1 ARG 22 1HH1 ARG 22 -5.305 6.913 -2.398 177 2HH1 ARG 22 2HH1 ARG 22 -5.777 5.339 -1.921 178 1HH2 ARG 22 1HH2 ARG 22 -2.505 3.991 -2.146 179 2HH2 ARG 22 2HH2 ARG 22 -4.153 3.610 -1.757 180 H ALA 23 H ALA 23 1.229 7.665 0.329 181 HA ALA 23 HA ALA 23 2.025 9.585 -1.735 182 1HB ALA 23 1HB ALA 23 3.877 8.643 0.439 183 2HB ALA 23 2HB ALA 23 3.240 10.279 0.272 184 3HB ALA 23 3HB ALA 23 4.350 9.631 -0.940 185 H GLY 24 H GLY 24 1.391 8.054 -3.207 186 1HA GLY 24 1HA GLY 24 2.843 5.521 -3.127 187 2HA GLY 24 2HA GLY 24 1.344 5.805 -3.994 188 H PHE 25 H PHE 25 4.738 6.495 -3.880 189 HA PHE 25 HA PHE 25 4.766 7.672 -6.511 190 1HB PHE 25 1HB PHE 25 7.040 6.644 -4.783 191 2HB PHE 25 2HB PHE 25 7.238 7.543 -6.279 192 HD1 PHE 25 HD1 PHE 25 6.834 9.908 -6.358 193 HD2 PHE 25 HD2 PHE 25 6.348 7.719 -2.753 194 HE1 PHE 25 HE1 PHE 25 6.859 12.011 -5.090 195 HE2 PHE 25 HE2 PHE 25 6.367 9.815 -1.477 196 HZ PHE 25 HZ PHE 25 6.622 11.965 -2.644 197 H ARG 26 H ARG 26 6.153 4.686 -5.191 198 HA ARG 26 HA ARG 26 6.446 3.727 -7.918 199 1HB ARG 26 1HB ARG 26 7.121 2.357 -5.323 200 2HB ARG 26 2HB ARG 26 7.329 1.620 -6.896 201 1HG ARG 26 1HG ARG 26 9.412 2.344 -6.294 202 2HG ARG 26 2HG ARG 26 8.861 3.587 -7.423 203 1HD ARG 26 1HD ARG 26 8.170 4.916 -5.413 204 2HD ARG 26 2HD ARG 26 8.972 3.700 -4.426 205 HE ARG 26 HE ARG 26 10.499 5.036 -6.515 206 1HH1 ARG 26 1HH1 ARG 26 10.154 4.310 -3.058 207 2HH1 ARG 26 2HH1 ARG 26 11.430 5.309 -2.582 208 1HH2 ARG 26 1HH2 ARG 26 12.281 6.323 -5.874 209 2HH2 ARG 26 2HH2 ARG 26 12.701 6.481 -4.218 210 H GLU 27 H GLU 27 4.533 3.036 -5.148 211 HA GLU 27 HA GLU 27 3.282 0.775 -6.350 212 1HB GLU 27 1HB GLU 27 3.096 2.113 -3.791 213 2HB GLU 27 2HB GLU 27 1.655 1.208 -4.296 214 1HG GLU 27 1HG GLU 27 2.908 -0.751 -4.381 215 2HG GLU 27 2HG GLU 27 4.431 0.135 -4.225 216 H CYS 28 H CYS 28 2.807 3.997 -6.985 217 HA CYS 28 HA CYS 28 0.064 4.208 -7.143 218 1HB CYS 28 1HB CYS 28 1.534 6.087 -7.742 219 2HB CYS 28 2HB CYS 28 2.042 5.242 -9.197 220 HG CYS 28 HG CYS 28 -0.993 5.190 -9.704 221 H ALA 29 H ALA 29 2.269 2.641 -9.448 222 HA ALA 29 HA ALA 29 0.258 1.847 -11.296 223 1HB ALA 29 1HB ALA 29 2.965 0.618 -10.815 224 2HB ALA 29 2HB ALA 29 2.650 1.972 -11.898 225 3HB ALA 29 3HB ALA 29 1.946 0.391 -12.236 226 H ALA 30 H ALA 30 1.682 0.377 -8.520 227 HA ALA 30 HA ALA 30 0.451 -2.109 -8.714 228 1HB ALA 30 1HB ALA 30 0.966 -2.392 -6.397 229 2HB ALA 30 2HB ALA 30 1.116 -0.651 -6.184 230 3HB ALA 30 3HB ALA 30 2.298 -1.514 -7.163 231 H MET 31 H MET 31 -0.493 0.784 -6.914 232 HA MET 31 HA MET 31 -2.708 -0.172 -5.605 233 1HB MET 31 1HB MET 31 -3.400 1.984 -5.118 234 2HB MET 31 2HB MET 31 -1.675 2.155 -5.352 235 1HG MET 31 1HG MET 31 -1.951 3.234 -7.423 236 2HG MET 31 2HG MET 31 -3.629 2.721 -7.555 237 1HE MET 31 1HE MET 31 -5.348 4.932 -4.813 238 2HE MET 31 2HE MET 31 -4.612 3.380 -4.471 239 3HE MET 31 3HE MET 31 -5.551 3.603 -5.952 240 H ILE 32 H ILE 32 -2.581 0.829 -8.921 241 HA ILE 32 HA ILE 32 -5.360 1.068 -9.296 242 HB ILE 32 HB ILE 32 -3.107 0.443 -11.199 243 1HG1 ILE 32 1HG1 ILE 32 -2.878 2.623 -10.179 244 2HG1 ILE 32 2HG1 ILE 32 -3.296 2.808 -11.876 245 1HG2 ILE 32 1HG2 ILE 32 -5.191 -0.322 -12.211 246 2HG2 ILE 32 2HG2 ILE 32 -4.643 1.142 -13.033 247 3HG2 ILE 32 3HG2 ILE 32 -5.959 1.227 -11.863 248 1HD1 ILE 32 1HD1 ILE 32 -5.165 3.145 -9.532 249 2HD1 ILE 32 2HD1 ILE 32 -5.617 3.288 -11.229 250 3HD1 ILE 32 3HD1 ILE 32 -4.471 4.427 -10.525 251 H GLU 33 H GLU 33 -3.174 -1.627 -9.819 252 HA GLU 33 HA GLU 33 -5.425 -3.317 -10.489 253 1HB GLU 33 1HB GLU 33 -2.468 -3.975 -10.384 254 2HB GLU 33 2HB GLU 33 -3.750 -4.919 -11.137 255 1HG GLU 33 1HG GLU 33 -4.183 -3.193 -12.760 256 2HG GLU 33 2HG GLU 33 -3.022 -2.136 -11.975 257 H LYS 34 H LYS 34 -3.551 -2.446 -7.833 258 HA LYS 34 HA LYS 34 -3.743 -4.698 -6.108 259 1HB LYS 34 1HB LYS 34 -2.467 -2.251 -6.173 260 2HB LYS 34 2HB LYS 34 -3.733 -1.956 -4.999 261 1HG LYS 34 1HG LYS 34 -2.864 -3.509 -3.514 262 2HG LYS 34 2HG LYS 34 -1.864 -4.276 -4.756 263 1HD LYS 34 1HD LYS 34 -0.371 -2.991 -3.409 264 2HD LYS 34 2HD LYS 34 -0.579 -2.116 -4.920 265 1HE LYS 34 1HE LYS 34 -2.221 -0.598 -3.751 266 2HE LYS 34 2HE LYS 34 -1.892 -1.459 -2.260 267 1HZ LYS 34 1HZ LYS 34 0.456 -0.609 -2.325 268 2HZ LYS 34 2HZ LYS 34 -0.606 0.679 -2.477 269 3HZ LYS 34 3HZ LYS 34 0.137 0.097 -3.803 270 H LYS 35 H LYS 35 -5.748 -2.025 -7.036 271 HA LYS 35 HA LYS 35 -7.687 -2.592 -5.029 272 1HB LYS 35 1HB LYS 35 -7.212 -0.250 -5.705 273 2HB LYS 35 2HB LYS 35 -7.808 -0.595 -7.316 274 1HG LYS 35 1HG LYS 35 -9.627 -1.030 -4.989 275 2HG LYS 35 2HG LYS 35 -9.313 0.617 -5.524 276 1HD LYS 35 1HD LYS 35 -10.258 0.207 -7.647 277 2HD LYS 35 2HD LYS 35 -10.187 -1.540 -7.424 278 1HE LYS 35 1HE LYS 35 -11.901 0.289 -5.753 279 2HE LYS 35 2HE LYS 35 -12.467 -0.521 -7.215 280 1HZ LYS 35 1HZ LYS 35 -12.067 -2.642 -6.196 281 2HZ LYS 35 2HZ LYS 35 -13.036 -1.743 -5.157 282 3HZ LYS 35 3HZ LYS 35 -11.406 -1.951 -4.815 283 H ALA 36 H ALA 36 -6.968 -3.774 -8.121 284 HA ALA 36 HA ALA 36 -9.621 -4.363 -9.007 285 1HB ALA 36 1HB ALA 36 -7.013 -5.678 -9.805 286 2HB ALA 36 2HB ALA 36 -7.744 -4.284 -10.598 287 3HB ALA 36 3HB ALA 36 -8.550 -5.852 -10.650 288 H ARG 37 H ARG 37 -7.092 -6.260 -7.453 289 HA ARG 37 HA ARG 37 -9.002 -7.659 -5.865 290 1HB ARG 37 1HB ARG 37 -9.051 -8.958 -8.042 291 2HB ARG 37 2HB ARG 37 -7.355 -9.335 -7.754 292 1HG ARG 37 1HG ARG 37 -8.075 -10.339 -5.557 293 2HG ARG 37 2HG ARG 37 -9.733 -10.185 -6.132 294 1HD ARG 37 1HD ARG 37 -7.506 -11.827 -7.322 295 2HD ARG 37 2HD ARG 37 -9.007 -12.401 -6.610 296 HE ARG 37 HE ARG 37 -8.800 -10.927 -9.148 297 1HH1 ARG 37 1HH1 ARG 37 -10.526 -13.248 -7.080 298 2HH1 ARG 37 2HH1 ARG 37 -11.518 -13.818 -8.322 299 1HH2 ARG 37 1HH2 ARG 37 -10.183 -11.754 -10.874 300 2HH2 ARG 37 2HH2 ARG 37 -11.355 -12.921 -10.485 301 H ARG 38 H ARG 38 -5.817 -8.528 -7.156 302 HA ARG 38 HA ARG 38 -4.529 -7.645 -4.811 303 1HB ARG 38 1HB ARG 38 -3.653 -9.864 -4.088 304 2HB ARG 38 2HB ARG 38 -5.400 -9.756 -3.957 305 1HG ARG 38 1HG ARG 38 -5.739 -11.104 -5.842 306 2HG ARG 38 2HG ARG 38 -4.015 -11.092 -6.231 307 1HD ARG 38 1HD ARG 38 -4.676 -13.151 -5.148 308 2HD ARG 38 2HD ARG 38 -3.524 -12.231 -4.173 309 HE ARG 38 HE ARG 38 -6.041 -11.492 -3.314 310 1HH1 ARG 38 1HH1 ARG 38 -4.280 -14.563 -3.451 311 2HH1 ARG 38 2HH1 ARG 38 -4.984 -15.171 -2.015 312 1HH2 ARG 38 1HH2 ARG 38 -6.944 -12.295 -1.358 313 2HH2 ARG 38 2HH2 ARG 38 -6.551 -13.849 -0.793 314 H VAL 39 H VAL 39 -2.642 -6.885 -5.583 315 HA VAL 39 HA VAL 39 -1.345 -8.355 -7.731 316 HB VAL 39 HB VAL 39 -2.157 -5.467 -7.781 317 1HG1 VAL 39 1HG1 VAL 39 -0.058 -6.746 -9.583 318 2HG1 VAL 39 2HG1 VAL 39 0.260 -5.494 -8.386 319 3HG1 VAL 39 3HG1 VAL 39 -0.729 -5.129 -9.798 320 1HG2 VAL 39 1HG2 VAL 39 -2.841 -6.124 -10.093 321 2HG2 VAL 39 2HG2 VAL 39 -3.702 -6.942 -8.791 322 3HG2 VAL 39 3HG2 VAL 39 -2.426 -7.779 -9.672 323 H VAL 40 H VAL 40 0.790 -8.126 -7.858 324 HA VAL 40 HA VAL 40 2.033 -7.030 -5.469 325 HB VAL 40 HB VAL 40 2.391 -9.479 -5.691 326 1HG1 VAL 40 1HG1 VAL 40 3.809 -8.845 -8.266 327 2HG1 VAL 40 2HG1 VAL 40 2.262 -9.663 -8.107 328 3HG1 VAL 40 3HG1 VAL 40 3.729 -10.428 -7.491 329 1HG2 VAL 40 1HG2 VAL 40 4.166 -8.182 -4.602 330 2HG2 VAL 40 2HG2 VAL 40 4.946 -7.938 -6.163 331 3HG2 VAL 40 3HG2 VAL 40 4.834 -9.559 -5.481 332 H HIS 41 H HIS 41 3.963 -5.711 -5.742 333 HA HIS 41 HA HIS 41 4.494 -4.948 -8.520 334 1HB HIS 41 1HB HIS 41 3.008 -3.382 -7.035 335 2HB HIS 41 2HB HIS 41 4.537 -2.963 -6.281 336 HD1 HIS 41 HD1 HIS 41 6.078 -1.249 -7.641 337 HD2 HIS 41 HD2 HIS 41 2.699 -2.544 -9.721 338 HE1 HIS 41 HE1 HIS 41 5.847 0.194 -9.673 339 H ILE 42 H ILE 42 6.610 -5.091 -8.896 340 HA ILE 42 HA ILE 42 8.380 -5.503 -6.667 341 HB ILE 42 HB ILE 42 8.770 -6.865 -8.718 342 1HG1 ILE 42 1HG1 ILE 42 11.030 -4.896 -8.284 343 2HG1 ILE 42 2HG1 ILE 42 10.719 -6.316 -7.298 344 1HG2 ILE 42 1HG2 ILE 42 7.959 -5.374 -10.420 345 2HG2 ILE 42 2HG2 ILE 42 9.622 -5.833 -10.798 346 3HG2 ILE 42 3HG2 ILE 42 9.279 -4.248 -10.111 347 1HD1 ILE 42 1HD1 ILE 42 11.173 -7.747 -9.234 348 2HD1 ILE 42 2HD1 ILE 42 12.541 -6.701 -8.861 349 3HD1 ILE 42 3HD1 ILE 42 11.481 -6.313 -10.215 350 H LYS 43 H LYS 43 9.813 -3.959 -5.902 351 HA LYS 43 HA LYS 43 10.521 -1.919 -5.375 352 1HB LYS 43 1HB LYS 43 10.288 -1.418 -8.354 353 2HB LYS 43 2HB LYS 43 10.746 -0.135 -7.249 354 1HG LYS 43 1HG LYS 43 12.680 -1.526 -6.551 355 2HG LYS 43 2HG LYS 43 12.229 -2.690 -7.797 356 1HD LYS 43 1HD LYS 43 12.544 -1.043 -9.525 357 2HD LYS 43 2HD LYS 43 12.828 0.218 -8.324 358 1HE LYS 43 1HE LYS 43 14.833 -0.983 -7.565 359 2HE LYS 43 2HE LYS 43 14.548 -2.214 -8.794 360 1HZ LYS 43 1HZ LYS 43 16.199 -0.575 -9.492 361 2HZ LYS 43 2HZ LYS 43 15.101 0.653 -9.284 362 3HZ LYS 43 3HZ LYS 43 14.836 -0.495 -10.496 363 HA PRO 44 HA PRO 44 6.352 -0.214 -5.185 364 1HB PRO 44 1HB PRO 44 5.518 -1.315 -2.897 365 2HB PRO 44 2HB PRO 44 5.458 -2.207 -4.419 366 1HG PRO 44 1HG PRO 44 7.262 -2.546 -2.114 367 2HG PRO 44 2HG PRO 44 6.787 -3.720 -3.349 368 1HD PRO 44 1HD PRO 44 9.172 -2.183 -3.218 369 2HD PRO 44 2HD PRO 44 8.648 -3.340 -4.462 370 H GLY 45 H GLY 45 5.721 1.561 -3.915 371 1HA GLY 45 1HA GLY 45 7.174 2.228 -1.560 372 2HA GLY 45 2HA GLY 45 7.670 3.177 -2.949 373 H GLU 46 H GLU 46 4.653 2.068 -1.487 374 HA GLU 46 HA GLU 46 3.773 4.815 -1.651 375 1HB GLU 46 1HB GLU 46 2.339 3.607 -3.000 376 2HB GLU 46 2HB GLU 46 2.239 2.247 -1.881 377 1HG GLU 46 1HG GLU 46 0.861 3.547 -0.433 378 2HG GLU 46 2HG GLU 46 1.118 4.988 -1.420 379 H LYS 47 H LYS 47 3.845 5.851 0.037 380 HA LYS 47 HA LYS 47 3.760 4.575 2.624 381 1HB LYS 47 1HB LYS 47 4.437 7.351 1.758 382 2HB LYS 47 2HB LYS 47 4.492 6.764 3.411 383 1HG LYS 47 1HG LYS 47 6.223 5.413 3.064 384 2HG LYS 47 2HG LYS 47 6.026 5.340 1.299 385 1HD LYS 47 1HD LYS 47 6.823 7.649 2.952 386 2HD LYS 47 2HD LYS 47 7.935 6.591 2.019 387 1HE LYS 47 1HE LYS 47 6.710 7.336 -0.043 388 2HE LYS 47 2HE LYS 47 5.769 8.433 0.956 389 1HZ LYS 47 1HZ LYS 47 8.662 8.619 0.357 390 2HZ LYS 47 2HZ LYS 47 7.922 9.373 1.671 391 3HZ LYS 47 3HZ LYS 47 7.453 9.815 0.162 392 H ILE 48 H ILE 48 1.870 4.189 2.397 393 HA ILE 48 HA ILE 48 -0.150 6.263 2.248 394 HB ILE 48 HB ILE 48 -1.738 4.303 2.772 395 1HG1 ILE 48 1HG1 ILE 48 0.596 2.769 1.594 396 2HG1 ILE 48 2HG1 ILE 48 -0.064 2.582 3.211 397 1HG2 ILE 48 1HG2 ILE 48 -2.100 5.460 0.900 398 2HG2 ILE 48 2HG2 ILE 48 -1.914 3.802 0.319 399 3HG2 ILE 48 3HG2 ILE 48 -0.593 4.962 0.141 400 1HD1 ILE 48 1HD1 ILE 48 -0.771 0.777 1.742 401 2HD1 ILE 48 2HD1 ILE 48 -1.499 1.946 0.638 402 3HD1 ILE 48 3HD1 ILE 48 -2.150 1.743 2.265 403 H LEU 49 H LEU 49 -0.245 7.417 4.034 404 HA LEU 49 HA LEU 49 -0.908 8.010 6.127 405 1HB LEU 49 1HB LEU 49 -1.616 5.100 6.453 406 2HB LEU 49 2HB LEU 49 -1.966 6.346 7.611 407 HG LEU 49 HG LEU 49 -3.674 7.276 6.111 408 1HD1 LEU 49 1HD1 LEU 49 -2.623 6.724 3.943 409 2HD1 LEU 49 2HD1 LEU 49 -4.307 6.222 4.089 410 3HD1 LEU 49 3HD1 LEU 49 -3.018 5.028 4.242 411 1HD2 LEU 49 1HD2 LEU 49 -3.810 4.314 6.436 412 2HD2 LEU 49 2HD2 LEU 49 -5.179 5.398 6.196 413 3HD2 LEU 49 3HD2 LEU 49 -4.203 5.514 7.660 414 H GLY 50 H GLY 50 1.405 5.589 5.622 415 1HA GLY 50 1HA GLY 50 3.387 5.222 6.824 416 2HA GLY 50 2HA GLY 50 2.707 6.140 8.174 417 H ALA 51 H ALA 51 0.232 4.300 7.271 418 HA ALA 51 HA ALA 51 0.809 1.779 8.496 419 1HB ALA 51 1HB ALA 51 -1.112 3.752 9.752 420 2HB ALA 51 2HB ALA 51 0.392 3.183 10.472 421 3HB ALA 51 3HB ALA 51 -0.942 2.058 10.211 422 H ARG 52 H ARG 52 -0.762 0.312 7.793 423 HA ARG 52 HA ARG 52 -2.426 1.292 5.622 424 1HB ARG 52 1HB ARG 52 -2.084 -1.514 6.675 425 2HB ARG 52 2HB ARG 52 -2.906 -1.068 5.193 426 1HG ARG 52 1HG ARG 52 -0.857 -0.344 4.181 427 2HG ARG 52 2HG ARG 52 0.016 -0.545 5.702 428 1HD ARG 52 1HD ARG 52 -1.269 -2.745 4.076 429 2HD ARG 52 2HD ARG 52 0.461 -2.427 4.227 430 HE ARG 52 HE ARG 52 -0.950 -2.830 6.690 431 1HH1 ARG 52 1HH1 ARG 52 0.984 -4.469 4.134 432 2HH1 ARG 52 2HH1 ARG 52 1.413 -5.764 5.160 433 1HH2 ARG 52 1HH2 ARG 52 -0.322 -4.719 8.007 434 2HH2 ARG 52 2HH2 ARG 52 0.629 -5.952 7.296 435 H ILE 53 H ILE 53 -4.245 2.311 6.348 436 HA ILE 53 HA ILE 53 -5.940 0.824 8.204 437 HB ILE 53 HB ILE 53 -5.722 3.861 8.027 438 1HG1 ILE 53 1HG1 ILE 53 -4.723 2.046 10.250 439 2HG1 ILE 53 2HG1 ILE 53 -3.689 2.833 9.064 440 1HG2 ILE 53 1HG2 ILE 53 -7.136 3.825 10.047 441 2HG2 ILE 53 2HG2 ILE 53 -7.232 2.068 9.939 442 3HG2 ILE 53 3HG2 ILE 53 -7.935 3.068 8.667 443 1HD1 ILE 53 1HD1 ILE 53 -4.373 5.015 9.920 444 2HD1 ILE 53 2HD1 ILE 53 -3.684 4.012 11.198 445 3HD1 ILE 53 3HD1 ILE 53 -5.431 4.227 11.088 446 H ILE 54 H ILE 54 -7.475 0.119 6.918 447 HA ILE 54 HA ILE 54 -8.113 1.253 4.382 448 HB ILE 54 HB ILE 54 -9.626 -0.818 6.028 449 1HG1 ILE 54 1HG1 ILE 54 -8.652 -2.470 4.322 450 2HG1 ILE 54 2HG1 ILE 54 -7.537 -1.198 3.869 451 1HG2 ILE 54 1HG2 ILE 54 -11.056 0.208 4.378 452 2HG2 ILE 54 2HG2 ILE 54 -10.740 -1.480 3.985 453 3HG2 ILE 54 3HG2 ILE 54 -9.911 -0.198 3.102 454 1HD1 ILE 54 1HD1 ILE 54 -6.527 -2.824 5.376 455 2HD1 ILE 54 2HD1 ILE 54 -7.744 -2.462 6.602 456 3HD1 ILE 54 3HD1 ILE 54 -6.584 -1.226 6.112 457 H GLY 55 H GLY 55 -9.382 1.258 7.512 458 1HA GLY 55 1HA GLY 55 -10.728 2.949 8.559 459 2HA GLY 55 2HA GLY 55 -11.237 3.481 6.955 460 H ILE 56 H ILE 56 -11.663 0.883 6.049 461 HA ILE 56 HA ILE 56 -14.297 0.344 7.151 462 HB ILE 56 HB ILE 56 -12.968 -0.708 4.591 463 1HG1 ILE 56 1HG1 ILE 56 -15.057 1.446 4.994 464 2HG1 ILE 56 2HG1 ILE 56 -13.375 1.722 4.563 465 1HG2 ILE 56 1HG2 ILE 56 -15.182 -1.469 3.955 466 2HG2 ILE 56 2HG2 ILE 56 -15.837 -0.904 5.492 467 3HG2 ILE 56 3HG2 ILE 56 -14.677 -2.231 5.469 468 1HD1 ILE 56 1HD1 ILE 56 -14.817 1.906 2.639 469 2HD1 ILE 56 2HD1 ILE 56 -15.415 0.267 2.905 470 3HD1 ILE 56 3HD1 ILE 56 -13.725 0.533 2.467 471 HA PRO 57 HA PRO 57 -12.451 -3.268 9.132 472 1HB PRO 57 1HB PRO 57 -15.127 -4.414 9.364 473 2HB PRO 57 2HB PRO 57 -14.064 -3.826 10.640 474 1HG PRO 57 1HG PRO 57 -16.345 -2.559 9.913 475 2HG PRO 57 2HG PRO 57 -14.935 -1.703 10.569 476 1HD PRO 57 1HD PRO 57 -15.878 -1.976 7.753 477 2HD PRO 57 2HD PRO 57 -15.193 -0.571 8.603 478 HA PRO 58 HA PRO 58 -12.898 -6.075 5.560 479 1HB PRO 58 1HB PRO 58 -10.324 -6.322 5.042 480 2HB PRO 58 2HB PRO 58 -11.142 -4.790 4.718 481 1HG PRO 58 1HG PRO 58 -9.176 -5.446 6.828 482 2HG PRO 58 2HG PRO 58 -9.595 -3.873 6.134 483 1HD PRO 58 1HD PRO 58 -10.595 -5.101 8.576 484 2HD PRO 58 2HD PRO 58 -10.878 -3.461 7.942 485 H VAL 59 H VAL 59 -11.278 -8.040 5.151 486 HA VAL 59 HA VAL 59 -11.620 -9.799 7.387 487 HB VAL 59 HB VAL 59 -10.246 -10.263 4.720 488 1HG1 VAL 59 1HG1 VAL 59 -9.475 -11.864 6.395 489 2HG1 VAL 59 2HG1 VAL 59 -10.511 -12.673 5.219 490 3HG1 VAL 59 3HG1 VAL 59 -11.141 -12.258 6.813 491 1HG2 VAL 59 1HG2 VAL 59 -13.016 -11.022 5.635 492 2HG2 VAL 59 2HG2 VAL 59 -12.299 -11.427 4.074 493 3HG2 VAL 59 3HG2 VAL 59 -12.616 -9.741 4.494 494 HA PRO 60 HA PRO 60 -7.624 -8.451 8.958 495 1HB PRO 60 1HB PRO 60 -7.858 -9.465 11.404 496 2HB PRO 60 2HB PRO 60 -8.895 -8.136 10.870 497 1HG PRO 60 1HG PRO 60 -9.502 -11.063 10.995 498 2HG PRO 60 2HG PRO 60 -10.493 -9.710 11.560 499 1HD PRO 60 1HD PRO 60 -10.841 -10.962 9.157 500 2HD PRO 60 2HD PRO 60 -11.277 -9.264 9.452 501 H ILE 61 H ILE 61 -7.332 -10.644 7.206 502 HA ILE 61 HA ILE 61 -5.648 -12.432 8.810 503 HB ILE 61 HB ILE 61 -7.009 -13.011 6.131 504 1HG1 ILE 61 1HG1 ILE 61 -7.569 -14.153 8.879 505 2HG1 ILE 61 2HG1 ILE 61 -8.568 -12.965 8.061 506 1HG2 ILE 61 1HG2 ILE 61 -5.387 -14.864 7.898 507 2HG2 ILE 61 2HG2 ILE 61 -4.846 -14.188 6.365 508 3HG2 ILE 61 3HG2 ILE 61 -6.205 -15.314 6.400 509 1HD1 ILE 61 1HD1 ILE 61 -8.057 -15.792 7.145 510 2HD1 ILE 61 2HD1 ILE 61 -9.066 -14.606 6.311 511 3HD1 ILE 61 3HD1 ILE 61 -9.530 -15.189 7.909 512 H GLY 62 H GLY 62 -3.508 -12.963 7.735 513 1HA GLY 62 1HA GLY 62 -2.685 -12.005 5.305 514 2HA GLY 62 2HA GLY 62 -2.484 -10.658 6.420 515 H ILE 63 H ILE 63 -0.513 -11.968 4.891 516 HA ILE 63 HA ILE 63 1.118 -12.864 7.100 517 HB ILE 63 HB ILE 63 2.399 -14.279 5.527 518 1HG1 ILE 63 1HG1 ILE 63 0.004 -13.997 3.688 519 2HG1 ILE 63 2HG1 ILE 63 1.599 -13.325 3.392 520 1HG2 ILE 63 1HG2 ILE 63 -0.468 -15.042 6.011 521 2HG2 ILE 63 2HG2 ILE 63 0.894 -15.300 7.104 522 3HG2 ILE 63 3HG2 ILE 63 0.802 -16.179 5.575 523 1HD1 ILE 63 1HD1 ILE 63 0.932 -16.255 3.581 524 2HD1 ILE 63 2HD1 ILE 63 2.530 -15.578 3.264 525 3HD1 ILE 63 3HD1 ILE 63 1.228 -15.350 2.096 526 H ASP 64 H ASP 64 2.082 -10.974 7.448 527 HA ASP 64 HA ASP 64 3.453 -9.639 5.263 528 1HB ASP 64 1HB ASP 64 3.244 -8.985 8.229 529 2HB ASP 64 2HB ASP 64 4.304 -8.110 7.140 530 H GLU 65 H GLU 65 5.050 -10.975 4.597 531 HA GLU 65 HA GLU 65 6.577 -12.509 6.436 532 1HB GLU 65 1HB GLU 65 6.947 -11.960 3.504 533 2HB GLU 65 2HB GLU 65 7.869 -13.137 4.430 534 1HG GLU 65 1HG GLU 65 4.892 -13.176 4.012 535 2HG GLU 65 2HG GLU 65 6.069 -14.182 3.166 536 H GLU 66 H GLU 66 7.392 -9.860 4.252 537 HA GLU 66 HA GLU 66 9.152 -8.610 6.037 538 1HB GLU 66 1HB GLU 66 10.283 -10.830 4.990 539 2HB GLU 66 2HB GLU 66 10.506 -9.762 3.618 540 1HG GLU 66 1HG GLU 66 11.428 -8.979 6.329 541 2HG GLU 66 2HG GLU 66 12.408 -10.046 5.309 542 H ARG 67 H ARG 67 10.174 -6.795 4.571 543 HA ARG 67 HA ARG 67 7.965 -5.892 2.950 544 1HB ARG 67 1HB ARG 67 9.477 -4.590 4.713 545 2HB ARG 67 2HB ARG 67 10.409 -4.224 3.270 546 1HG ARG 67 1HG ARG 67 7.476 -3.622 3.655 547 2HG ARG 67 2HG ARG 67 8.800 -2.471 3.832 548 1HD ARG 67 1HD ARG 67 9.269 -2.486 1.547 549 2HD ARG 67 2HD ARG 67 8.340 -3.958 1.269 550 HE ARG 67 HE ARG 67 6.411 -2.361 2.105 551 1HH1 ARG 67 1HH1 ARG 67 9.005 -1.471 -0.101 552 2HH1 ARG 67 2HH1 ARG 67 8.051 -0.478 -1.103 553 1HH2 ARG 67 1HH2 ARG 67 5.015 -0.995 0.735 554 2HH2 ARG 67 2HH2 ARG 67 5.599 -0.256 -0.616 555 H SER 68 H SER 68 11.271 -6.835 2.720 556 HA SER 68 HA SER 68 11.377 -6.327 -0.111 557 1HB SER 68 1HB SER 68 13.399 -7.454 1.813 558 2HB SER 68 2HB SER 68 13.724 -6.821 0.186 559 HG SER 68 HG SER 68 13.838 -4.978 1.015 560 H THR 69 H THR 69 9.557 -8.153 0.888 561 HA THR 69 HA THR 69 10.113 -10.475 -0.713 562 HB THR 69 HB THR 69 9.310 -10.751 2.226 563 HG1 THR 69 HG1 THR 69 11.727 -10.487 1.077 564 1HG2 THR 69 1HG2 THR 69 8.456 -12.568 0.788 565 2HG2 THR 69 2HG2 THR 69 9.705 -13.162 1.881 566 3HG2 THR 69 3HG2 THR 69 10.089 -12.857 0.187 567 H VAL 70 H VAL 70 7.854 -11.720 -0.751 568 HA VAL 70 HA VAL 70 5.936 -9.677 -1.272 569 HB VAL 70 HB VAL 70 4.442 -11.607 -2.006 570 1HG1 VAL 70 1HG1 VAL 70 5.702 -10.284 -3.590 571 2HG1 VAL 70 2HG1 VAL 70 5.701 -11.979 -4.082 572 3HG1 VAL 70 3HG1 VAL 70 7.131 -11.281 -3.321 573 1HG2 VAL 70 1HG2 VAL 70 5.510 -13.395 -0.719 574 2HG2 VAL 70 2HG2 VAL 70 6.996 -13.191 -1.647 575 3HG2 VAL 70 3HG2 VAL 70 5.528 -13.761 -2.443 576 H MET 71 H MET 71 4.938 -8.790 0.297 577 HA MET 71 HA MET 71 3.993 -10.419 2.507 578 1HB MET 71 1HB MET 71 3.191 -8.324 3.535 579 2HB MET 71 2HB MET 71 4.872 -8.160 3.059 580 1HG MET 71 1HG MET 71 4.207 -6.847 1.119 581 2HG MET 71 2HG MET 71 2.510 -7.078 1.526 582 1HE MET 71 1HE MET 71 5.461 -4.636 4.097 583 2HE MET 71 2HE MET 71 5.902 -5.466 2.605 584 3HE MET 71 3HE MET 71 5.479 -6.398 4.044 585 H ILE 72 H ILE 72 2.019 -11.270 2.551 586 HA ILE 72 HA ILE 72 0.155 -10.267 0.530 587 HB ILE 72 HB ILE 72 0.422 -13.185 1.357 588 1HG1 ILE 72 1HG1 ILE 72 1.230 -11.866 -1.254 589 2HG1 ILE 72 2HG1 ILE 72 2.357 -12.375 -0.004 590 1HG2 ILE 72 1HG2 ILE 72 -1.852 -12.570 0.702 591 2HG2 ILE 72 2HG2 ILE 72 -1.120 -13.608 -0.521 592 3HG2 ILE 72 3HG2 ILE 72 -1.249 -11.873 -0.801 593 1HD1 ILE 72 1HD1 ILE 72 1.667 -14.698 -0.352 594 2HD1 ILE 72 2HD1 ILE 72 2.278 -13.965 -1.836 595 3HD1 ILE 72 3HD1 ILE 72 0.542 -14.169 -1.602 596 HA PRO 73 HA PRO 73 -1.975 -10.169 4.491 597 1HB PRO 73 1HB PRO 73 -3.131 -7.619 3.764 598 2HB PRO 73 2HB PRO 73 -1.923 -7.938 5.010 599 1HG PRO 73 1HG PRO 73 -1.426 -6.537 2.677 600 2HG PRO 73 2HG PRO 73 -0.189 -7.347 3.652 601 1HD PRO 73 1HD PRO 73 -1.539 -8.278 1.153 602 2HD PRO 73 2HD PRO 73 0.156 -8.460 1.659 603 H TYR 74 H TYR 74 -3.888 -11.285 4.465 604 HA TYR 74 HA TYR 74 -5.459 -11.304 2.042 605 1HB TYR 74 1HB TYR 74 -5.676 -13.038 4.519 606 2HB TYR 74 2HB TYR 74 -6.593 -13.262 3.037 607 HD1 TYR 74 HD1 TYR 74 -5.409 -14.047 0.970 608 HD2 TYR 74 HD2 TYR 74 -3.452 -13.829 4.741 609 HE1 TYR 74 HE1 TYR 74 -3.630 -15.531 0.137 610 HE2 TYR 74 HE2 TYR 74 -1.681 -15.300 3.919 611 HH TYR 74 HH TYR 74 -1.406 -16.988 2.234 612 H THR 75 H THR 75 -5.747 -9.063 2.839 613 HA THR 75 HA THR 75 -8.015 -8.839 4.624 614 HB THR 75 HB THR 75 -7.525 -6.430 4.500 615 HG1 THR 75 HG1 THR 75 -6.301 -6.836 2.393 616 1HG2 THR 75 1HG2 THR 75 -5.177 -8.137 5.337 617 2HG2 THR 75 2HG2 THR 75 -6.566 -7.710 6.337 618 3HG2 THR 75 3HG2 THR 75 -5.427 -6.463 5.827 619 H LYS 76 H LYS 76 -9.916 -8.734 3.651 620 HA LYS 76 HA LYS 76 -10.008 -7.938 0.838 621 1HB LYS 76 1HB LYS 76 -10.809 -10.218 1.261 622 2HB LYS 76 2HB LYS 76 -11.950 -9.610 2.450 623 1HG LYS 76 1HG LYS 76 -13.083 -8.348 0.640 624 2HG LYS 76 2HG LYS 76 -11.986 -9.100 -0.521 625 1HD LYS 76 1HD LYS 76 -12.799 -11.310 0.131 626 2HD LYS 76 2HD LYS 76 -13.874 -10.575 1.319 627 1HE LYS 76 1HE LYS 76 -13.986 -10.154 -1.668 628 2HE LYS 76 2HE LYS 76 -15.066 -11.187 -0.736 629 1HZ LYS 76 1HZ LYS 76 -14.811 -8.237 -0.503 630 2HZ LYS 76 2HZ LYS 76 -15.830 -9.170 0.448 631 3HZ LYS 76 3HZ LYS 76 -16.075 -9.064 -1.217 632 HA PRO 77 HA PRO 77 -12.497 -4.528 2.628 633 1HB PRO 77 1HB PRO 77 -10.862 -2.583 1.817 634 2HB PRO 77 2HB PRO 77 -10.502 -3.496 3.284 635 1HG PRO 77 1HG PRO 77 -9.044 -3.457 0.779 636 2HG PRO 77 2HG PRO 77 -8.602 -4.244 2.302 637 1HD PRO 77 1HD PRO 77 -9.906 -5.385 -0.094 638 2HD PRO 77 2HD PRO 77 -9.003 -6.196 1.207 639 H CYS 78 H CYS 78 -12.872 -2.374 1.402 640 HA CYS 78 HA CYS 78 -14.141 -3.138 -0.994 641 1HB CYS 78 1HB CYS 78 -13.694 -0.572 0.430 642 2HB CYS 78 2HB CYS 78 -14.691 -0.682 -1.052 643 HG CYS 78 HG CYS 78 -16.289 -2.696 0.267 644 H TYR 79 H TYR 79 -11.045 -2.055 -0.208 645 HA TYR 79 HA TYR 79 -10.400 -0.913 -2.743 646 1HB TYR 79 1HB TYR 79 -9.290 -0.177 -0.713 647 2HB TYR 79 2HB TYR 79 -8.668 -1.784 -0.435 648 HD1 TYR 79 HD1 TYR 79 -8.337 1.267 -2.458 649 HD2 TYR 79 HD2 TYR 79 -6.675 -2.541 -1.563 650 HE1 TYR 79 HE1 TYR 79 -6.221 1.941 -3.502 651 HE2 TYR 79 HE2 TYR 79 -4.570 -1.881 -2.616 652 HH TYR 79 HH TYR 79 -3.928 1.338 -3.336 653 H GLY 80 H GLY 80 -8.557 -3.504 -1.138 654 1HA GLY 80 1HA GLY 80 -9.057 -5.701 -2.589 655 2HA GLY 80 2HA GLY 80 -7.941 -4.765 -3.590 656 H THR 81 H THR 81 -6.420 -6.522 -3.171 657 HA THR 81 HA THR 81 -5.260 -6.469 -0.487 658 HB THR 81 HB THR 81 -5.193 -8.499 -2.673 659 HG1 THR 81 HG1 THR 81 -6.766 -8.179 -0.371 660 1HG2 THR 81 1HG2 THR 81 -4.036 -8.679 0.116 661 2HG2 THR 81 2HG2 THR 81 -3.119 -8.613 -1.388 662 3HG2 THR 81 3HG2 THR 81 -4.125 -10.017 -1.028 663 H ALA 82 H ALA 82 -3.155 -5.940 -0.304 664 HA ALA 82 HA ALA 82 -1.736 -5.038 -2.729 665 1HB ALA 82 1HB ALA 82 -0.624 -3.457 -1.264 666 2HB ALA 82 2HB ALA 82 -1.474 -4.117 0.131 667 3HB ALA 82 3HB ALA 82 -2.374 -3.272 -1.128 668 H VAL 83 H VAL 83 -0.345 -6.501 -3.325 669 HA VAL 83 HA VAL 83 1.313 -7.747 -1.259 670 HB VAL 83 HB VAL 83 0.965 -8.585 -4.166 671 1HG1 VAL 83 1HG1 VAL 83 3.059 -9.304 -3.184 672 2HG1 VAL 83 2HG1 VAL 83 2.006 -10.697 -3.438 673 3HG1 VAL 83 3HG1 VAL 83 2.202 -10.017 -1.822 674 1HG2 VAL 83 1HG2 VAL 83 -1.171 -8.892 -3.038 675 2HG2 VAL 83 2HG2 VAL 83 -0.378 -9.778 -1.738 676 3HG2 VAL 83 3HG2 VAL 83 -0.425 -10.457 -3.365 677 H VAL 84 H VAL 84 3.340 -6.902 -1.224 678 HA VAL 84 HA VAL 84 4.308 -5.611 -3.672 679 HB VAL 84 HB VAL 84 5.014 -3.562 -2.482 680 1HG1 VAL 84 1HG1 VAL 84 2.179 -4.136 -1.817 681 2HG1 VAL 84 2HG1 VAL 84 2.816 -3.474 -3.321 682 3HG1 VAL 84 3HG1 VAL 84 2.963 -2.556 -1.823 683 1HG2 VAL 84 1HG2 VAL 84 3.880 -4.808 0.034 684 2HG2 VAL 84 2HG2 VAL 84 4.572 -3.192 -0.111 685 3HG2 VAL 84 3HG2 VAL 84 5.598 -4.612 -0.312 686 H GLU 85 H GLU 85 6.492 -5.786 -4.025 687 HA GLU 85 HA GLU 85 8.018 -7.175 -1.951 688 1HB GLU 85 1HB GLU 85 7.218 -8.809 -3.685 689 2HB GLU 85 2HB GLU 85 8.116 -7.888 -4.886 690 1HG GLU 85 1HG GLU 85 10.159 -8.259 -3.442 691 2HG GLU 85 2HG GLU 85 9.197 -9.431 -2.553 692 H LEU 86 H LEU 86 9.705 -5.965 -1.523 693 HA LEU 86 HA LEU 86 10.648 -4.104 -3.546 694 1HB LEU 86 1HB LEU 86 10.110 -3.307 -1.276 695 2HB LEU 86 2HB LEU 86 11.345 -4.358 -0.616 696 HG LEU 86 HG LEU 86 12.989 -3.043 -2.037 697 1HD1 LEU 86 1HD1 LEU 86 12.366 -0.794 -2.663 698 2HD1 LEU 86 2HD1 LEU 86 10.700 -1.121 -2.202 699 3HD1 LEU 86 3HD1 LEU 86 11.438 -2.005 -3.545 700 1HD2 LEU 86 1HD2 LEU 86 11.529 -1.644 0.204 701 2HD2 LEU 86 2HD2 LEU 86 13.134 -1.218 -0.383 702 3HD2 LEU 86 3HD2 LEU 86 12.862 -2.784 0.380 703 HA PRO 87 HA PRO 87 14.213 -6.913 -3.922 704 1HB PRO 87 1HB PRO 87 15.213 -5.941 -6.180 705 2HB PRO 87 2HB PRO 87 13.641 -6.751 -6.194 706 1HG PRO 87 1HG PRO 87 14.270 -3.842 -6.307 707 2HG PRO 87 2HG PRO 87 12.985 -4.747 -7.119 708 1HD PRO 87 1HD PRO 87 12.730 -3.256 -4.742 709 2HD PRO 87 2HD PRO 87 11.556 -4.415 -5.395 710 H VAL 88 H VAL 88 14.236 -4.507 -2.260 711 HA VAL 88 HA VAL 88 17.073 -3.833 -2.265 712 HB VAL 88 HB VAL 88 14.856 -1.855 -1.611 713 1HG1 VAL 88 1HG1 VAL 88 16.603 -0.144 -1.706 714 2HG1 VAL 88 2HG1 VAL 88 17.795 -1.413 -1.998 715 3HG1 VAL 88 3HG1 VAL 88 16.896 -1.377 -0.480 716 1HG2 VAL 88 1HG2 VAL 88 14.712 -2.250 -4.013 717 2HG2 VAL 88 2HG2 VAL 88 16.436 -1.924 -4.187 718 3HG2 VAL 88 3HG2 VAL 88 15.341 -0.632 -3.700 719 H ASP 89 H ASP 89 17.621 -3.371 0.013 720 HA ASP 89 HA ASP 89 16.249 -5.204 1.712 721 1HB ASP 89 1HB ASP 89 18.640 -3.463 2.165 722 2HB ASP 89 2HB ASP 89 17.891 -4.304 3.515 723 HA PRO 90 HA PRO 90 13.184 -3.054 3.902 724 1HB PRO 90 1HB PRO 90 13.636 -3.915 6.494 725 2HB PRO 90 2HB PRO 90 12.753 -4.813 5.258 726 1HG PRO 90 1HG PRO 90 15.586 -5.097 6.144 727 2HG PRO 90 2HG PRO 90 14.412 -6.349 5.722 728 1HD PRO 90 1HD PRO 90 16.329 -5.642 4.012 729 2HD PRO 90 2HD PRO 90 14.699 -6.048 3.445 730 H GLU 91 H GLU 91 16.451 -2.482 4.607 731 HA GLU 91 HA GLU 91 16.400 -0.621 6.708 732 1HB GLU 91 1HB GLU 91 18.500 0.277 5.729 733 2HB GLU 91 2HB GLU 91 18.509 -1.474 5.824 734 1HG GLU 91 1HG GLU 91 18.038 -1.655 3.482 735 2HG GLU 91 2HG GLU 91 17.859 0.087 3.337 736 H GLU 92 H GLU 92 15.451 -0.422 3.435 737 HA GLU 92 HA GLU 92 15.281 2.311 2.874 738 1HB GLU 92 1HB GLU 92 14.979 0.361 1.318 739 2HB GLU 92 2HB GLU 92 13.415 0.077 2.051 740 1HG GLU 92 1HG GLU 92 13.083 1.182 -0.020 741 2HG GLU 92 2HG GLU 92 12.721 2.329 1.268 742 H ILE 93 H ILE 93 13.339 0.233 4.911 743 HA ILE 93 HA ILE 93 10.991 1.789 4.976 744 HB ILE 93 HB ILE 93 12.069 -0.152 7.010 745 1HG1 ILE 93 1HG1 ILE 93 9.954 -0.524 4.887 746 2HG1 ILE 93 2HG1 ILE 93 11.616 -1.101 4.778 747 1HG2 ILE 93 1HG2 ILE 93 9.279 1.010 6.782 748 2HG2 ILE 93 2HG2 ILE 93 10.441 1.353 8.062 749 3HG2 ILE 93 3HG2 ILE 93 9.764 -0.267 7.901 750 1HD1 ILE 93 1HD1 ILE 93 11.238 -2.518 6.720 751 2HD1 ILE 93 2HD1 ILE 93 10.134 -2.882 5.402 752 3HD1 ILE 93 3HD1 ILE 93 9.566 -1.962 6.800 753 H GLU 94 H GLU 94 13.945 1.831 6.961 754 HA GLU 94 HA GLU 94 12.940 3.625 8.912 755 1HB GLU 94 1HB GLU 94 15.786 3.396 7.947 756 2HB GLU 94 2HB GLU 94 15.272 4.193 9.421 757 1HG GLU 94 1HG GLU 94 14.376 1.965 10.167 758 2HG GLU 94 2HG GLU 94 15.223 1.266 8.783 759 H ARG 95 H ARG 95 14.415 4.082 5.822 760 HA ARG 95 HA ARG 95 14.674 6.894 5.856 761 1HB ARG 95 1HB ARG 95 15.788 5.327 4.306 762 2HB ARG 95 2HB ARG 95 14.233 4.946 3.607 763 1HG ARG 95 1HG ARG 95 14.028 7.222 2.792 764 2HG ARG 95 2HG ARG 95 15.595 7.620 3.514 765 1HD ARG 95 1HD ARG 95 15.061 5.527 1.441 766 2HD ARG 95 2HD ARG 95 15.859 7.079 1.154 767 HE ARG 95 HE ARG 95 17.306 5.857 3.153 768 1HH1 ARG 95 1HH1 ARG 95 16.510 5.020 -0.183 769 2HH1 ARG 95 2HH1 ARG 95 17.896 4.042 -0.399 770 1HH2 ARG 95 1HH2 ARG 95 19.184 4.465 2.840 771 2HH2 ARG 95 2HH2 ARG 95 19.400 3.724 1.327 772 H ILE 96 H ILE 96 12.308 4.677 4.537 773 HA ILE 96 HA ILE 96 10.432 6.541 3.629 774 HB ILE 96 HB ILE 96 10.718 3.700 4.050 775 1HG1 ILE 96 1HG1 ILE 96 9.896 5.319 1.660 776 2HG1 ILE 96 2HG1 ILE 96 11.477 4.630 2.005 777 1HG2 ILE 96 1HG2 ILE 96 8.464 3.823 4.905 778 2HG2 ILE 96 2HG2 ILE 96 8.366 3.144 3.274 779 3HG2 ILE 96 3HG2 ILE 96 7.976 4.844 3.556 780 1HD1 ILE 96 1HD1 ILE 96 10.529 2.378 1.738 781 2HD1 ILE 96 2HD1 ILE 96 10.321 3.362 0.288 782 3HD1 ILE 96 3HD1 ILE 96 8.959 3.096 1.374 783 H LEU 97 H LEU 97 10.977 5.247 6.758 784 HA LEU 97 HA LEU 97 8.411 5.744 7.904 785 1HB LEU 97 1HB LEU 97 10.080 4.154 8.824 786 2HB LEU 97 2HB LEU 97 11.133 5.495 9.195 787 HG LEU 97 HG LEU 97 9.406 6.337 10.790 788 1HD1 LEU 97 1HD1 LEU 97 7.457 5.271 9.812 789 2HD1 LEU 97 2HD1 LEU 97 7.646 4.816 11.507 790 3HD1 LEU 97 3HD1 LEU 97 8.102 3.685 10.232 791 1HD2 LEU 97 1HD2 LEU 97 10.436 3.544 11.273 792 2HD2 LEU 97 2HD2 LEU 97 9.882 4.666 12.515 793 3HD2 LEU 97 3HD2 LEU 97 11.320 5.042 11.567 794 H GLU 98 H GLU 98 11.392 7.477 7.539 795 HA GLU 98 HA GLU 98 10.573 9.732 9.140 796 1HB GLU 98 1HB GLU 98 12.941 8.854 8.860 797 2HB GLU 98 2HB GLU 98 12.874 9.477 7.223 798 1HG GLU 98 1HG GLU 98 14.039 11.004 8.716 799 2HG GLU 98 2HG GLU 98 12.575 11.727 8.048 800 H VAL 99 H VAL 99 10.820 8.751 5.838 801 HA VAL 99 HA VAL 99 9.912 11.317 4.784 802 HB VAL 99 HB VAL 99 10.924 8.772 3.426 803 1HG1 VAL 99 1HG1 VAL 99 9.560 10.176 1.877 804 2HG1 VAL 99 2HG1 VAL 99 11.261 10.174 1.411 805 3HG1 VAL 99 3HG1 VAL 99 10.580 11.565 2.255 806 1HG2 VAL 99 1HG2 VAL 99 13.001 10.020 3.061 807 2HG2 VAL 99 2HG2 VAL 99 12.634 9.793 4.771 808 3HG2 VAL 99 3HG2 VAL 99 12.349 11.358 4.009 809 H ALA 100 H ALA 100 8.235 9.435 6.333 810 HA ALA 100 HA ALA 100 6.462 7.887 4.770 811 1HB ALA 100 1HB ALA 100 5.854 9.210 7.399 812 2HB ALA 100 2HB ALA 100 6.699 7.675 7.197 813 3HB ALA 100 3HB ALA 100 5.016 7.829 6.689 814 H GLU 101 H GLU 101 6.374 11.337 5.427 815 HA GLU 101 HA GLU 101 3.718 11.415 4.310 816 1HB GLU 101 1HB GLU 101 5.256 13.522 5.803 817 2HB GLU 101 2HB GLU 101 3.714 13.818 5.010 818 1HG GLU 101 1HG GLU 101 2.634 12.176 6.414 819 2HG GLU 101 2HG GLU 101 4.178 11.776 7.164 820 HA PRO 102 HA PRO 102 6.247 14.325 1.311 821 1HB PRO 102 1HB PRO 102 8.566 12.453 1.354 822 2HB PRO 102 2HB PRO 102 8.530 14.176 0.901 823 1HG PRO 102 1HG PRO 102 9.408 13.494 3.277 824 2HG PRO 102 2HG PRO 102 8.277 14.853 3.130 825 1HD PRO 102 1HD PRO 102 7.772 12.064 4.061 826 2HD PRO 102 2HD PRO 102 7.086 13.596 4.642 Start of MODEL 3 1 H HIS 1 H HIS 1 5.212 8.404 -12.450 2 HA HIS 1 HA HIS 1 2.890 8.096 -12.364 3 1HB HIS 1 1HB HIS 1 3.536 5.292 -11.357 4 2HB HIS 1 2HB HIS 1 1.946 6.017 -11.463 5 HD1 HIS 1 HD1 HIS 1 0.787 5.978 -13.811 6 HD2 HIS 1 HD2 HIS 1 4.616 4.355 -13.741 7 HE1 HIS 1 HE1 HIS 1 1.064 4.756 -15.974 8 H MET 2 H MET 2 2.065 8.864 -10.451 9 HA MET 2 HA MET 2 3.286 8.194 -7.937 10 1HB MET 2 1HB MET 2 3.294 11.056 -8.969 11 2HB MET 2 2HB MET 2 3.573 10.616 -7.298 12 1HG MET 2 1HG MET 2 5.609 9.411 -7.995 13 2HG MET 2 2HG MET 2 5.309 9.925 -9.651 14 1HE MET 2 1HE MET 2 7.811 10.919 -9.701 15 2HE MET 2 2HE MET 2 8.083 10.508 -8.008 16 3HE MET 2 3HE MET 2 8.391 12.144 -8.577 17 H THR 3 H THR 3 1.638 7.961 -6.589 18 HA THR 3 HA THR 3 -0.795 9.461 -7.185 19 HB THR 3 HB THR 3 -1.188 7.088 -7.447 20 HG1 THR 3 HG1 THR 3 -2.708 6.824 -5.575 21 1HG2 THR 3 1HG2 THR 3 0.600 6.218 -6.035 22 2HG2 THR 3 2HG2 THR 3 -0.950 5.513 -5.569 23 3HG2 THR 3 3HG2 THR 3 -0.238 6.797 -4.594 24 H PHE 4 H PHE 4 -1.417 10.922 -5.824 25 HA PHE 4 HA PHE 4 -0.605 10.666 -3.029 26 1HB PHE 4 1HB PHE 4 -0.741 13.257 -4.601 27 2HB PHE 4 2HB PHE 4 -0.329 13.113 -2.888 28 HD1 PHE 4 HD1 PHE 4 1.002 13.356 -6.103 29 HD2 PHE 4 HD2 PHE 4 1.578 11.381 -2.393 30 HE1 PHE 4 HE1 PHE 4 3.325 12.857 -6.730 31 HE2 PHE 4 HE2 PHE 4 3.898 10.888 -3.010 32 HZ PHE 4 HZ PHE 4 4.769 11.603 -5.166 33 H CYS 5 H CYS 5 -2.998 10.299 -4.927 34 HA CYS 5 HA CYS 5 -5.004 11.853 -3.524 35 1HB CYS 5 1HB CYS 5 -5.239 9.992 -5.898 36 2HB CYS 5 2HB CYS 5 -6.515 11.028 -5.268 37 HG CYS 5 HG CYS 5 -3.975 11.757 -7.304 38 H LEU 6 H LEU 6 -5.193 10.846 -1.557 39 HA LEU 6 HA LEU 6 -5.755 7.998 -1.588 40 1HB LEU 6 1HB LEU 6 -5.536 8.081 0.902 41 2HB LEU 6 2HB LEU 6 -4.077 8.449 0.036 42 HG LEU 6 HG LEU 6 -4.669 10.887 0.468 43 1HD1 LEU 6 1HD1 LEU 6 -5.937 11.325 2.548 44 2HD1 LEU 6 2HD1 LEU 6 -6.286 9.603 2.692 45 3HD1 LEU 6 3HD1 LEU 6 -6.967 10.525 1.354 46 1HD2 LEU 6 1HD2 LEU 6 -3.728 10.725 2.784 47 2HD2 LEU 6 2HD2 LEU 6 -2.821 10.054 1.453 48 3HD2 LEU 6 3HD2 LEU 6 -3.742 8.976 2.520 49 H GLU 7 H GLU 7 -7.051 11.058 -0.699 50 HA GLU 7 HA GLU 7 -9.409 10.047 0.512 51 1HB GLU 7 1HB GLU 7 -8.177 12.141 1.147 52 2HB GLU 7 2HB GLU 7 -8.735 12.846 -0.351 53 1HG GLU 7 1HG GLU 7 -11.030 12.675 0.423 54 2HG GLU 7 2HG GLU 7 -10.468 11.923 1.921 55 H THR 8 H THR 8 -8.459 10.617 -2.672 56 HA THR 8 HA THR 8 -10.926 11.292 -3.838 57 HB THR 8 HB THR 8 -8.665 9.663 -4.948 58 HG1 THR 8 HG1 THR 8 -8.732 12.411 -5.420 59 1HG2 THR 8 1HG2 THR 8 -10.650 11.508 -6.288 60 2HG2 THR 8 2HG2 THR 8 -10.652 9.749 -6.381 61 3HG2 THR 8 3HG2 THR 8 -9.332 10.667 -7.105 62 H TYR 9 H TYR 9 -9.345 8.354 -2.827 63 HA TYR 9 HA TYR 9 -11.299 6.655 -3.993 64 1HB TYR 9 1HB TYR 9 -8.926 6.200 -2.221 65 2HB TYR 9 2HB TYR 9 -9.997 4.879 -2.656 66 HD1 TYR 9 HD1 TYR 9 -7.643 7.420 -3.981 67 HD2 TYR 9 HD2 TYR 9 -9.870 3.907 -4.887 68 HE1 TYR 9 HE1 TYR 9 -6.433 7.212 -6.108 69 HE2 TYR 9 HE2 TYR 9 -8.660 3.686 -7.023 70 HH TYR 9 HH TYR 9 -7.394 5.124 -8.613 71 H LEU 10 H LEU 10 -10.695 8.223 -1.042 72 HA LEU 10 HA LEU 10 -12.531 6.814 0.606 73 1HB LEU 10 1HB LEU 10 -10.522 8.199 1.300 74 2HB LEU 10 2HB LEU 10 -11.437 9.616 0.866 75 HG LEU 10 HG LEU 10 -12.426 7.753 3.009 76 1HD1 LEU 10 1HD1 LEU 10 -10.126 8.350 3.557 77 2HD1 LEU 10 2HD1 LEU 10 -11.263 9.183 4.617 78 3HD1 LEU 10 3HD1 LEU 10 -10.498 10.052 3.290 79 1HD2 LEU 10 1HD2 LEU 10 -13.496 9.788 3.834 80 2HD2 LEU 10 2HD2 LEU 10 -13.965 9.485 2.160 81 3HD2 LEU 10 3HD2 LEU 10 -12.762 10.720 2.529 82 H GLN 11 H GLN 11 -12.706 9.411 -1.704 83 HA GLN 11 HA GLN 11 -15.270 10.451 -1.069 84 1HB GLN 11 1HB GLN 11 -13.682 10.394 -3.639 85 2HB GLN 11 2HB GLN 11 -15.215 11.233 -3.505 86 1HG GLN 11 1HG GLN 11 -14.223 12.705 -1.815 87 2HG GLN 11 2HG GLN 11 -12.699 11.830 -1.965 88 1HE2 GLN 11 1HE2 GLN 11 -11.573 13.616 -2.662 89 2HE2 GLN 11 2HE2 GLN 11 -11.794 14.320 -4.215 90 H GLN 12 H GLN 12 -14.051 7.758 -2.833 91 HA GLN 12 HA GLN 12 -16.658 7.140 -3.894 92 1HB GLN 12 1HB GLN 12 -13.993 5.793 -4.333 93 2HB GLN 12 2HB GLN 12 -15.493 5.324 -5.129 94 1HG GLN 12 1HG GLN 12 -14.158 8.013 -5.368 95 2HG GLN 12 2HG GLN 12 -14.088 6.723 -6.569 96 1HE2 GLN 12 1HE2 GLN 12 -15.174 9.463 -6.712 97 2HE2 GLN 12 2HE2 GLN 12 -16.817 9.265 -7.210 98 H SER 13 H SER 13 -14.948 6.579 -1.166 99 HA SER 13 HA SER 13 -15.214 5.376 0.624 100 1HB SER 13 1HB SER 13 -17.849 4.580 -0.630 101 2HB SER 13 2HB SER 13 -17.423 4.303 1.064 102 HG SER 13 HG SER 13 -16.862 6.789 0.613 103 H GLY 14 H GLY 14 -13.697 4.406 -1.369 104 1HA GLY 14 1HA GLY 14 -13.681 1.582 -0.754 105 2HA GLY 14 2HA GLY 14 -13.630 2.069 -2.454 106 H GLU 15 H GLU 15 -12.202 3.245 0.550 107 HA GLU 15 HA GLU 15 -9.699 3.595 -0.839 108 1HB GLU 15 1HB GLU 15 -9.062 5.040 1.003 109 2HB GLU 15 2HB GLU 15 -10.623 5.526 0.369 110 1HG GLU 15 1HG GLU 15 -10.425 3.757 2.788 111 2HG GLU 15 2HG GLU 15 -10.219 5.493 2.923 112 H TYR 16 H TYR 16 -7.732 3.270 0.692 113 HA TYR 16 HA TYR 16 -7.936 1.065 2.602 114 1HB TYR 16 1HB TYR 16 -7.360 0.126 0.311 115 2HB TYR 16 2HB TYR 16 -5.974 1.192 0.270 116 HD1 TYR 16 HD1 TYR 16 -7.441 -1.565 2.300 117 HD2 TYR 16 HD2 TYR 16 -3.894 0.341 0.948 118 HE1 TYR 16 HE1 TYR 16 -6.097 -3.367 3.307 119 HE2 TYR 16 HE2 TYR 16 -2.538 -1.447 1.961 120 HH TYR 16 HH TYR 16 -3.982 -4.349 3.263 121 H GLU 17 H GLU 17 -7.713 3.927 2.582 122 HA GLU 17 HA GLU 17 -5.124 4.311 3.800 123 1HB GLU 17 1HB GLU 17 -6.256 6.137 1.662 124 2HB GLU 17 2HB GLU 17 -4.829 6.472 2.618 125 1HG GLU 17 1HG GLU 17 -3.962 5.793 0.558 126 2HG GLU 17 2HG GLU 17 -3.848 4.340 1.530 127 H ILE 18 H ILE 18 -5.120 6.413 5.009 128 HA ILE 18 HA ILE 18 -7.796 7.007 5.950 129 HB ILE 18 HB ILE 18 -6.609 5.841 7.727 130 1HG1 ILE 18 1HG1 ILE 18 -6.825 8.787 8.446 131 2HG1 ILE 18 2HG1 ILE 18 -8.100 7.585 8.563 132 1HG2 ILE 18 1HG2 ILE 18 -4.475 7.911 7.476 133 2HG2 ILE 18 2HG2 ILE 18 -4.374 6.172 7.120 134 3HG2 ILE 18 3HG2 ILE 18 -4.582 6.727 8.777 135 1HD1 ILE 18 1HD1 ILE 18 -6.896 6.447 10.338 136 2HD1 ILE 18 2HD1 ILE 18 -7.148 8.146 10.737 137 3HD1 ILE 18 3HD1 ILE 18 -5.567 7.596 10.182 138 H HIS 19 H HIS 19 -7.957 9.382 6.899 139 HA HIS 19 HA HIS 19 -6.979 11.289 5.043 140 1HB HIS 19 1HB HIS 19 -8.130 11.842 7.801 141 2HB HIS 19 2HB HIS 19 -7.797 13.059 6.592 142 HD1 HIS 19 HD1 HIS 19 -9.509 12.996 4.400 143 HD2 HIS 19 HD2 HIS 19 -10.545 10.740 7.747 144 HE1 HIS 19 HE1 HIS 19 -11.946 12.563 4.220 145 H MET 20 H MET 20 -4.928 10.543 5.274 146 HA MET 20 HA MET 20 -3.241 12.244 6.969 147 1HB MET 20 1HB MET 20 -3.145 9.311 6.491 148 2HB MET 20 2HB MET 20 -1.605 10.104 6.763 149 1HG MET 20 1HG MET 20 -2.576 10.907 8.935 150 2HG MET 20 2HG MET 20 -3.981 9.888 8.610 151 1HE MET 20 1HE MET 20 -2.321 9.613 11.287 152 2HE MET 20 2HE MET 20 -2.167 7.861 11.410 153 3HE MET 20 3HE MET 20 -3.686 8.578 10.873 154 H LYS 21 H LYS 21 -0.861 10.944 5.460 155 HA LYS 21 HA LYS 21 -1.452 12.209 2.887 156 1HB LYS 21 1HB LYS 21 -0.083 13.583 4.554 157 2HB LYS 21 2HB LYS 21 1.163 12.365 4.417 158 1HG LYS 21 1HG LYS 21 0.153 13.955 2.073 159 2HG LYS 21 2HG LYS 21 1.485 14.484 3.095 160 1HD LYS 21 1HD LYS 21 2.757 12.526 2.496 161 2HD LYS 21 2HD LYS 21 1.394 11.891 1.570 162 1HE LYS 21 1HE LYS 21 1.503 13.815 0.104 163 2HE LYS 21 2HE LYS 21 2.892 14.440 1.001 164 1HZ LYS 21 1HZ LYS 21 4.127 12.504 0.382 165 2HZ LYS 21 2HZ LYS 21 3.542 13.254 -1.015 166 3HZ LYS 21 3HZ LYS 21 2.776 11.849 -0.408 167 H ARG 22 H ARG 22 -1.123 10.804 1.183 168 HA ARG 22 HA ARG 22 0.308 8.299 1.741 169 1HB ARG 22 1HB ARG 22 -1.054 7.299 0.047 170 2HB ARG 22 2HB ARG 22 -2.088 8.517 0.658 171 1HG ARG 22 1HG ARG 22 -1.639 10.014 -1.140 172 2HG ARG 22 2HG ARG 22 -0.335 8.984 -1.728 173 1HD ARG 22 1HD ARG 22 -3.294 8.380 -1.741 174 2HD ARG 22 2HD ARG 22 -2.251 8.679 -3.119 175 HE ARG 22 HE ARG 22 -1.044 6.572 -2.277 176 1HH1 ARG 22 1HH1 ARG 22 -4.544 7.075 -2.486 177 2HH1 ARG 22 2HH1 ARG 22 -4.888 5.435 -2.110 178 1HH2 ARG 22 1HH2 ARG 22 -1.511 4.471 -1.965 179 2HH2 ARG 22 2HH2 ARG 22 -3.164 3.925 -1.749 180 H ALA 23 H ALA 23 1.662 7.502 -0.111 181 HA ALA 23 HA ALA 23 2.560 9.504 -1.981 182 1HB ALA 23 1HB ALA 23 4.581 8.537 0.024 183 2HB ALA 23 2HB ALA 23 3.887 10.159 -0.014 184 3HB ALA 23 3HB ALA 23 4.916 9.603 -1.338 185 H GLY 24 H GLY 24 1.804 7.925 -3.394 186 1HA GLY 24 1HA GLY 24 3.226 5.385 -3.447 187 2HA GLY 24 2HA GLY 24 1.740 5.755 -4.287 188 H PHE 25 H PHE 25 5.148 6.178 -4.217 189 HA PHE 25 HA PHE 25 5.262 7.344 -6.838 190 1HB PHE 25 1HB PHE 25 7.440 6.119 -5.130 191 2HB PHE 25 2HB PHE 25 7.705 7.051 -6.597 192 HD1 PHE 25 HD1 PHE 25 7.061 9.453 -6.622 193 HD2 PHE 25 HD2 PHE 25 7.129 7.171 -3.049 194 HE1 PHE 25 HE1 PHE 25 7.117 11.526 -5.310 195 HE2 PHE 25 HE2 PHE 25 7.182 9.249 -1.728 196 HZ PHE 25 HZ PHE 25 7.176 11.420 -2.858 197 H ARG 26 H ARG 26 6.514 4.263 -5.600 198 HA ARG 26 HA ARG 26 6.566 3.305 -8.370 199 1HB ARG 26 1HB ARG 26 7.486 1.967 -5.842 200 2HB ARG 26 2HB ARG 26 7.450 1.155 -7.388 201 1HG ARG 26 1HG ARG 26 9.602 1.791 -7.012 202 2HG ARG 26 2HG ARG 26 9.024 2.934 -8.227 203 1HD ARG 26 1HD ARG 26 8.554 4.465 -6.266 204 2HD ARG 26 2HD ARG 26 9.470 3.313 -5.293 205 HE ARG 26 HE ARG 26 10.807 4.267 -7.674 206 1HH1 ARG 26 1HH1 ARG 26 10.516 4.729 -4.156 207 2HH1 ARG 26 2HH1 ARG 26 11.967 5.598 -4.036 208 1HH2 ARG 26 1HH2 ARG 26 12.777 5.420 -7.470 209 2HH2 ARG 26 2HH2 ARG 26 13.336 5.980 -5.958 210 H GLU 27 H GLU 27 4.858 2.815 -5.490 211 HA GLU 27 HA GLU 27 3.525 0.456 -6.448 212 1HB GLU 27 1HB GLU 27 4.090 1.000 -4.019 213 2HB GLU 27 2HB GLU 27 2.677 2.045 -4.093 214 1HG GLU 27 1HG GLU 27 1.251 0.187 -4.564 215 2HG GLU 27 2HG GLU 27 2.639 -0.907 -4.617 216 H CYS 28 H CYS 28 3.074 3.778 -7.128 217 HA CYS 28 HA CYS 28 0.373 4.163 -7.220 218 1HB CYS 28 1HB CYS 28 2.084 5.822 -7.910 219 2HB CYS 28 2HB CYS 28 2.372 4.890 -9.374 220 HG CYS 28 HG CYS 28 -0.716 5.321 -9.629 221 H ALA 29 H ALA 29 2.423 2.406 -9.507 222 HA ALA 29 HA ALA 29 0.384 1.742 -11.353 223 1HB ALA 29 1HB ALA 29 2.949 0.259 -10.827 224 2HB ALA 29 2HB ALA 29 2.760 1.619 -11.939 225 3HB ALA 29 3HB ALA 29 1.926 0.100 -12.253 226 H ALA 30 H ALA 30 1.635 0.063 -8.572 227 HA ALA 30 HA ALA 30 0.224 -2.317 -8.824 228 1HB ALA 30 1HB ALA 30 0.664 -2.632 -6.489 229 2HB ALA 30 2HB ALA 30 1.042 -0.919 -6.316 230 3HB ALA 30 3HB ALA 30 2.082 -1.951 -7.291 231 H MET 31 H MET 31 -0.599 0.692 -7.141 232 HA MET 31 HA MET 31 -2.864 -0.297 -5.831 233 1HB MET 31 1HB MET 31 -3.564 1.874 -5.309 234 2HB MET 31 2HB MET 31 -1.814 1.918 -5.316 235 1HG MET 31 1HG MET 31 -1.784 3.056 -7.414 236 2HG MET 31 2HG MET 31 -3.516 2.844 -7.619 237 1HE MET 31 1HE MET 31 -4.438 3.443 -4.482 238 2HE MET 31 2HE MET 31 -5.308 3.926 -5.936 239 3HE MET 31 3HE MET 31 -4.903 5.127 -4.714 240 H ILE 32 H ILE 32 -2.574 0.911 -9.061 241 HA ILE 32 HA ILE 32 -5.281 1.236 -9.694 242 HB ILE 32 HB ILE 32 -2.936 0.420 -11.433 243 1HG1 ILE 32 1HG1 ILE 32 -2.578 2.579 -10.373 244 2HG1 ILE 32 2HG1 ILE 32 -2.857 2.792 -12.097 245 1HG2 ILE 32 1HG2 ILE 32 -5.005 -0.165 -12.555 246 2HG2 ILE 32 2HG2 ILE 32 -4.251 1.214 -13.354 247 3HG2 ILE 32 3HG2 ILE 32 -5.635 1.460 -12.289 248 1HD1 ILE 32 1HD1 ILE 32 -4.850 3.290 -9.890 249 2HD1 ILE 32 2HD1 ILE 32 -5.166 3.459 -11.616 250 3HD1 ILE 32 3HD1 ILE 32 -3.991 4.509 -10.833 251 H GLU 33 H GLU 33 -3.153 -1.547 -9.932 252 HA GLU 33 HA GLU 33 -5.296 -3.169 -10.926 253 1HB GLU 33 1HB GLU 33 -2.443 -3.871 -10.235 254 2HB GLU 33 2HB GLU 33 -3.585 -4.965 -11.011 255 1HG GLU 33 1HG GLU 33 -3.803 -3.367 -12.879 256 2HG GLU 33 2HG GLU 33 -2.597 -2.350 -12.112 257 H LYS 34 H LYS 34 -3.759 -2.538 -7.880 258 HA LYS 34 HA LYS 34 -4.532 -4.734 -6.335 259 1HB LYS 34 1HB LYS 34 -4.016 -1.848 -5.736 260 2HB LYS 34 2HB LYS 34 -4.630 -2.887 -4.469 261 1HG LYS 34 1HG LYS 34 -2.682 -4.154 -4.368 262 2HG LYS 34 2HG LYS 34 -2.168 -3.693 -5.985 263 1HD LYS 34 1HD LYS 34 -0.872 -2.711 -4.041 264 2HD LYS 34 2HD LYS 34 -1.407 -1.565 -5.251 265 1HE LYS 34 1HE LYS 34 -3.325 -0.986 -3.772 266 2HE LYS 34 2HE LYS 34 -2.715 -2.091 -2.550 267 1HZ LYS 34 1HZ LYS 34 -0.635 -0.628 -2.476 268 2HZ LYS 34 2HZ LYS 34 -2.028 0.163 -2.009 269 3HZ LYS 34 3HZ LYS 34 -1.406 0.411 -3.535 270 H LYS 35 H LYS 35 -6.352 -2.108 -7.598 271 HA LYS 35 HA LYS 35 -8.558 -2.078 -5.883 272 1HB LYS 35 1HB LYS 35 -7.925 -0.255 -7.417 273 2HB LYS 35 2HB LYS 35 -8.288 -1.260 -8.797 274 1HG LYS 35 1HG LYS 35 -10.400 -0.439 -6.800 275 2HG LYS 35 2HG LYS 35 -9.950 0.582 -8.159 276 1HD LYS 35 1HD LYS 35 -10.596 -1.217 -9.710 277 2HD LYS 35 2HD LYS 35 -11.029 -2.237 -8.338 278 1HE LYS 35 1HE LYS 35 -12.317 0.388 -9.094 279 2HE LYS 35 2HE LYS 35 -13.007 -1.218 -9.320 280 1HZ LYS 35 1HZ LYS 35 -13.906 -0.154 -7.353 281 2HZ LYS 35 2HZ LYS 35 -12.377 0.070 -6.732 282 3HZ LYS 35 3HZ LYS 35 -12.990 -1.478 -6.868 283 H ALA 36 H ALA 36 -7.643 -4.361 -8.304 284 HA ALA 36 HA ALA 36 -10.263 -5.275 -8.983 285 1HB ALA 36 1HB ALA 36 -7.610 -6.686 -9.284 286 2HB ALA 36 2HB ALA 36 -8.348 -5.617 -10.477 287 3HB ALA 36 3HB ALA 36 -9.123 -7.144 -10.064 288 H ARG 37 H ARG 37 -7.859 -6.195 -6.611 289 HA ARG 37 HA ARG 37 -9.664 -7.417 -4.854 290 1HB ARG 37 1HB ARG 37 -9.676 -9.217 -6.598 291 2HB ARG 37 2HB ARG 37 -7.938 -9.370 -6.372 292 1HG ARG 37 1HG ARG 37 -8.294 -10.063 -4.045 293 2HG ARG 37 2HG ARG 37 -10.038 -9.948 -4.288 294 1HD ARG 37 1HD ARG 37 -8.159 -11.790 -5.777 295 2HD ARG 37 2HD ARG 37 -9.253 -12.264 -4.484 296 HE ARG 37 HE ARG 37 -10.836 -11.057 -6.350 297 1HH1 ARG 37 1HH1 ARG 37 -8.658 -13.858 -6.391 298 2HH1 ARG 37 2HH1 ARG 37 -9.545 -14.681 -7.590 299 1HH2 ARG 37 1HH2 ARG 37 -12.025 -12.228 -8.001 300 2HH2 ARG 37 2HH2 ARG 37 -11.457 -13.750 -8.504 301 H ARG 38 H ARG 38 -6.457 -8.273 -6.026 302 HA ARG 38 HA ARG 38 -5.024 -6.860 -4.144 303 1HB ARG 38 1HB ARG 38 -4.061 -8.778 -2.884 304 2HB ARG 38 2HB ARG 38 -5.799 -8.658 -2.636 305 1HG ARG 38 1HG ARG 38 -6.117 -10.452 -4.294 306 2HG ARG 38 2HG ARG 38 -4.363 -10.615 -4.396 307 1HD ARG 38 1HD ARG 38 -5.240 -12.275 -2.903 308 2HD ARG 38 2HD ARG 38 -4.313 -11.099 -1.971 309 HE ARG 38 HE ARG 38 -6.750 -10.110 -1.686 310 1HH1 ARG 38 1HH1 ARG 38 -5.804 -13.536 -1.578 311 2HH1 ARG 38 2HH1 ARG 38 -6.950 -13.921 -0.378 312 1HH2 ARG 38 1HH2 ARG 38 -8.335 -10.688 -0.080 313 2HH2 ARG 38 2HH2 ARG 38 -8.407 -12.301 0.486 314 H VAL 39 H VAL 39 -2.986 -6.638 -5.078 315 HA VAL 39 HA VAL 39 -2.250 -8.520 -7.180 316 HB VAL 39 HB VAL 39 -2.624 -5.536 -7.518 317 1HG1 VAL 39 1HG1 VAL 39 -1.138 -7.375 -9.412 318 2HG1 VAL 39 2HG1 VAL 39 -0.384 -6.113 -8.440 319 3HG1 VAL 39 3HG1 VAL 39 -1.519 -5.682 -9.720 320 1HG2 VAL 39 1HG2 VAL 39 -3.904 -6.216 -9.487 321 2HG2 VAL 39 2HG2 VAL 39 -4.516 -6.975 -8.016 322 3HG2 VAL 39 3HG2 VAL 39 -3.523 -7.901 -9.141 323 H VAL 40 H VAL 40 -0.077 -8.684 -7.540 324 HA VAL 40 HA VAL 40 1.514 -7.522 -5.446 325 HB VAL 40 HB VAL 40 1.642 -9.975 -5.516 326 1HG1 VAL 40 1HG1 VAL 40 2.658 -11.172 -7.414 327 2HG1 VAL 40 2HG1 VAL 40 2.573 -9.681 -8.358 328 3HG1 VAL 40 3HG1 VAL 40 1.096 -10.448 -7.771 329 1HG2 VAL 40 1HG2 VAL 40 4.230 -8.757 -6.488 330 2HG2 VAL 40 2HG2 VAL 40 4.077 -10.326 -5.696 331 3HG2 VAL 40 3HG2 VAL 40 3.686 -8.849 -4.815 332 H HIS 41 H HIS 41 3.357 -6.318 -5.855 333 HA HIS 41 HA HIS 41 3.887 -5.765 -8.654 334 1HB HIS 41 1HB HIS 41 2.324 -4.069 -7.608 335 2HB HIS 41 2HB HIS 41 3.644 -3.621 -6.540 336 HD1 HIS 41 HD1 HIS 41 5.419 -1.928 -7.541 337 HD2 HIS 41 HD2 HIS 41 2.582 -3.241 -10.306 338 HE1 HIS 41 HE1 HIS 41 5.685 -0.512 -9.580 339 H ILE 42 H ILE 42 6.029 -6.005 -8.914 340 HA ILE 42 HA ILE 42 7.767 -6.119 -6.624 341 HB ILE 42 HB ILE 42 8.134 -7.708 -8.496 342 1HG1 ILE 42 1HG1 ILE 42 10.416 -5.734 -8.228 343 2HG1 ILE 42 2HG1 ILE 42 10.081 -7.063 -7.130 344 1HG2 ILE 42 1HG2 ILE 42 7.358 -6.363 -10.346 345 2HG2 ILE 42 2HG2 ILE 42 8.986 -6.968 -10.654 346 3HG2 ILE 42 3HG2 ILE 42 8.749 -5.288 -10.172 347 1HD1 ILE 42 1HD1 ILE 42 10.878 -7.306 -10.027 348 2HD1 ILE 42 2HD1 ILE 42 10.541 -8.652 -8.942 349 3HD1 ILE 42 3HD1 ILE 42 11.917 -7.593 -8.633 350 H LYS 43 H LYS 43 9.212 -4.612 -6.005 351 HA LYS 43 HA LYS 43 10.116 -2.623 -5.692 352 1HB LYS 43 1HB LYS 43 9.744 -2.227 -8.677 353 2HB LYS 43 2HB LYS 43 10.564 -1.069 -7.641 354 1HG LYS 43 1HG LYS 43 12.239 -2.735 -7.087 355 2HG LYS 43 2HG LYS 43 11.399 -3.923 -8.075 356 1HD LYS 43 1HD LYS 43 11.812 -2.567 -10.064 357 2HD LYS 43 2HD LYS 43 12.628 -1.354 -9.072 358 1HE LYS 43 1HE LYS 43 14.306 -2.988 -8.419 359 2HE LYS 43 2HE LYS 43 13.480 -4.234 -9.342 360 1HZ LYS 43 1HZ LYS 43 13.960 -3.029 -11.363 361 2HZ LYS 43 2HZ LYS 43 15.386 -3.312 -10.516 362 3HZ LYS 43 3HZ LYS 43 14.700 -1.784 -10.505 363 HA PRO 44 HA PRO 44 6.211 -0.394 -5.525 364 1HB PRO 44 1HB PRO 44 5.260 -1.222 -3.118 365 2HB PRO 44 2HB PRO 44 4.906 -2.061 -4.631 366 1HG PRO 44 1HG PRO 44 6.632 -2.902 -2.422 367 2HG PRO 44 2HG PRO 44 5.986 -3.855 -3.775 368 1HD PRO 44 1HD PRO 44 8.605 -2.711 -3.434 369 2HD PRO 44 2HD PRO 44 7.988 -3.809 -4.687 370 H GLY 45 H GLY 45 5.844 1.485 -4.322 371 1HA GLY 45 1HA GLY 45 7.571 2.098 -2.109 372 2HA GLY 45 2HA GLY 45 7.943 2.961 -3.602 373 H GLU 46 H GLU 46 5.141 2.072 -1.721 374 HA GLU 46 HA GLU 46 4.157 4.798 -1.944 375 1HB GLU 46 1HB GLU 46 2.605 3.554 -3.011 376 2HB GLU 46 2HB GLU 46 2.843 2.126 -2.030 377 1HG GLU 46 1HG GLU 46 0.658 2.924 -1.602 378 2HG GLU 46 2HG GLU 46 1.623 3.397 -0.211 379 H LYS 47 H LYS 47 4.083 5.881 -0.252 380 HA LYS 47 HA LYS 47 4.484 4.559 2.315 381 1HB LYS 47 1HB LYS 47 5.087 7.359 1.491 382 2HB LYS 47 2HB LYS 47 5.372 6.667 3.077 383 1HG LYS 47 1HG LYS 47 6.995 5.224 2.312 384 2HG LYS 47 2HG LYS 47 6.599 5.518 0.607 385 1HD LYS 47 1HD LYS 47 7.625 7.466 2.562 386 2HD LYS 47 2HD LYS 47 8.621 6.579 1.371 387 1HE LYS 47 1HE LYS 47 7.215 7.646 -0.421 388 2HE LYS 47 2HE LYS 47 6.398 8.570 0.831 389 1HZ LYS 47 1HZ LYS 47 9.270 8.844 0.077 390 2HZ LYS 47 2HZ LYS 47 8.549 9.510 1.443 391 3HZ LYS 47 3HZ LYS 47 8.074 10.048 -0.025 392 H ILE 48 H ILE 48 2.533 4.225 2.039 393 HA ILE 48 HA ILE 48 0.495 6.208 2.075 394 HB ILE 48 HB ILE 48 -0.983 4.316 2.997 395 1HG1 ILE 48 1HG1 ILE 48 1.194 2.671 1.691 396 2HG1 ILE 48 2HG1 ILE 48 0.700 2.621 3.373 397 1HG2 ILE 48 1HG2 ILE 48 -1.590 5.367 1.104 398 2HG2 ILE 48 2HG2 ILE 48 -1.650 3.636 0.770 399 3HG2 ILE 48 3HG2 ILE 48 -0.309 4.607 0.163 400 1HD1 ILE 48 1HD1 ILE 48 -0.141 0.704 2.135 401 2HD1 ILE 48 2HD1 ILE 48 -0.985 1.781 1.022 402 3HD1 ILE 48 3HD1 ILE 48 -1.467 1.711 2.718 403 H LEU 49 H LEU 49 0.817 7.501 3.770 404 HA LEU 49 HA LEU 49 0.379 8.418 5.782 405 1HB LEU 49 1HB LEU 49 -0.877 5.883 6.789 406 2HB LEU 49 2HB LEU 49 -1.215 7.521 7.261 407 HG LEU 49 HG LEU 49 -3.085 7.202 6.126 408 1HD1 LEU 49 1HD1 LEU 49 -3.193 7.750 3.843 409 2HD1 LEU 49 2HD1 LEU 49 -1.433 7.656 3.722 410 3HD1 LEU 49 3HD1 LEU 49 -2.183 8.870 4.760 411 1HD2 LEU 49 1HD2 LEU 49 -1.763 5.025 4.566 412 2HD2 LEU 49 2HD2 LEU 49 -3.435 5.521 4.322 413 3HD2 LEU 49 3HD2 LEU 49 -2.927 4.860 5.880 414 H GLY 50 H GLY 50 2.243 5.751 5.486 415 1HA GLY 50 1HA GLY 50 4.223 5.288 6.715 416 2HA GLY 50 2HA GLY 50 3.557 6.204 8.067 417 H ALA 51 H ALA 51 0.984 4.403 7.146 418 HA ALA 51 HA ALA 51 1.633 1.843 8.170 419 1HB ALA 51 1HB ALA 51 -0.092 3.709 9.824 420 2HB ALA 51 2HB ALA 51 1.482 3.072 10.297 421 3HB ALA 51 3HB ALA 51 0.109 1.979 10.114 422 H ARG 52 H ARG 52 -0.240 0.463 7.886 423 HA ARG 52 HA ARG 52 -1.888 1.493 5.727 424 1HB ARG 52 1HB ARG 52 -1.749 -1.313 6.807 425 2HB ARG 52 2HB ARG 52 -2.541 -0.801 5.327 426 1HG ARG 52 1HG ARG 52 -0.362 -0.178 4.389 427 2HG ARG 52 2HG ARG 52 0.420 -0.721 5.875 428 1HD ARG 52 1HD ARG 52 -1.151 -2.401 3.922 429 2HD ARG 52 2HD ARG 52 0.585 -2.471 4.227 430 HE ARG 52 HE ARG 52 -1.266 -3.002 6.407 431 1HH1 ARG 52 1HH1 ARG 52 1.240 -4.286 4.181 432 2HH1 ARG 52 2HH1 ARG 52 1.344 -5.783 4.996 433 1HH2 ARG 52 1HH2 ARG 52 -1.099 -5.197 7.407 434 2HH2 ARG 52 2HH2 ARG 52 0.033 -6.307 6.785 435 H ILE 53 H ILE 53 -3.536 2.660 6.548 436 HA ILE 53 HA ILE 53 -5.328 1.263 8.385 437 HB ILE 53 HB ILE 53 -5.020 4.259 7.950 438 1HG1 ILE 53 1HG1 ILE 53 -4.712 4.258 10.531 439 2HG1 ILE 53 2HG1 ILE 53 -4.395 2.541 10.350 440 1HG2 ILE 53 1HG2 ILE 53 -7.378 3.702 8.208 441 2HG2 ILE 53 2HG2 ILE 53 -6.818 4.538 9.660 442 3HG2 ILE 53 3HG2 ILE 53 -7.026 2.789 9.675 443 1HD1 ILE 53 1HD1 ILE 53 -2.838 4.778 9.079 444 2HD1 ILE 53 2HD1 ILE 53 -2.506 3.055 8.894 445 3HD1 ILE 53 3HD1 ILE 53 -2.348 3.820 10.475 446 H ILE 54 H ILE 54 -7.078 0.585 7.359 447 HA ILE 54 HA ILE 54 -7.382 1.193 4.601 448 HB ILE 54 HB ILE 54 -9.163 -0.448 6.432 449 1HG1 ILE 54 1HG1 ILE 54 -8.098 -2.416 5.131 450 2HG1 ILE 54 2HG1 ILE 54 -6.860 -1.273 4.657 451 1HG2 ILE 54 1HG2 ILE 54 -10.115 -1.398 4.469 452 2HG2 ILE 54 2HG2 ILE 54 -9.052 -0.453 3.434 453 3HG2 ILE 54 3HG2 ILE 54 -10.283 0.358 4.407 454 1HD1 ILE 54 1HD1 ILE 54 -7.502 -2.087 7.487 455 2HD1 ILE 54 2HD1 ILE 54 -6.219 -0.979 6.993 456 3HD1 ILE 54 3HD1 ILE 54 -6.152 -2.674 6.517 457 H GLY 55 H GLY 55 -9.108 1.831 7.551 458 1HA GLY 55 1HA GLY 55 -10.509 3.693 8.020 459 2HA GLY 55 2HA GLY 55 -10.526 4.047 6.294 460 H ILE 56 H ILE 56 -11.013 1.001 6.169 461 HA ILE 56 HA ILE 56 -13.925 0.973 6.572 462 HB ILE 56 HB ILE 56 -12.274 -0.426 4.406 463 1HG1 ILE 56 1HG1 ILE 56 -14.243 1.847 4.121 464 2HG1 ILE 56 2HG1 ILE 56 -12.494 2.001 3.999 465 1HG2 ILE 56 1HG2 ILE 56 -14.410 -1.125 3.461 466 2HG2 ILE 56 2HG2 ILE 56 -15.252 -0.375 4.813 467 3HG2 ILE 56 3HG2 ILE 56 -14.188 -1.753 5.096 468 1HD1 ILE 56 1HD1 ILE 56 -12.514 0.523 2.045 469 2HD1 ILE 56 2HD1 ILE 56 -13.526 1.950 1.803 470 3HD1 ILE 56 3HD1 ILE 56 -14.267 0.394 2.186 471 HA PRO 57 HA PRO 57 -12.428 -2.542 9.054 472 1HB PRO 57 1HB PRO 57 -15.241 -3.420 9.157 473 2HB PRO 57 2HB PRO 57 -14.188 -2.945 10.490 474 1HG PRO 57 1HG PRO 57 -16.251 -1.405 9.694 475 2HG PRO 57 2HG PRO 57 -14.742 -0.711 10.310 476 1HD PRO 57 1HD PRO 57 -15.678 -0.996 7.478 477 2HD PRO 57 2HD PRO 57 -14.851 0.367 8.270 478 HA PRO 58 HA PRO 58 -12.978 -5.372 5.490 479 1HB PRO 58 1HB PRO 58 -10.442 -5.836 5.032 480 2HB PRO 58 2HB PRO 58 -11.079 -4.212 4.748 481 1HG PRO 58 1HG PRO 58 -9.311 -5.179 6.931 482 2HG PRO 58 2HG PRO 58 -9.442 -3.561 6.225 483 1HD PRO 58 1HD PRO 58 -10.710 -4.574 8.611 484 2HD PRO 58 2HD PRO 58 -10.804 -2.938 7.917 485 H VAL 59 H VAL 59 -11.525 -7.457 5.123 486 HA VAL 59 HA VAL 59 -12.106 -9.233 7.274 487 HB VAL 59 HB VAL 59 -10.452 -9.676 4.772 488 1HG1 VAL 59 1HG1 VAL 59 -10.085 -11.422 6.441 489 2HG1 VAL 59 2HG1 VAL 59 -10.995 -12.074 5.079 490 3HG1 VAL 59 3HG1 VAL 59 -11.823 -11.676 6.584 491 1HG2 VAL 59 1HG2 VAL 59 -13.393 -10.171 5.205 492 2HG2 VAL 59 2HG2 VAL 59 -12.481 -10.637 3.768 493 3HG2 VAL 59 3HG2 VAL 59 -12.676 -8.932 4.176 494 HA PRO 60 HA PRO 60 -8.216 -7.955 9.079 495 1HB PRO 60 1HB PRO 60 -8.539 -8.989 11.498 496 2HB PRO 60 2HB PRO 60 -9.564 -7.665 10.934 497 1HG PRO 60 1HG PRO 60 -10.168 -10.589 11.104 498 2HG PRO 60 2HG PRO 60 -11.204 -9.211 11.510 499 1HD PRO 60 1HD PRO 60 -11.306 -10.617 9.124 500 2HD PRO 60 2HD PRO 60 -11.897 -8.958 9.355 501 H ILE 61 H ILE 61 -7.873 -10.235 7.334 502 HA ILE 61 HA ILE 61 -6.225 -11.965 9.062 503 HB ILE 61 HB ILE 61 -7.516 -12.716 6.394 504 1HG1 ILE 61 1HG1 ILE 61 -8.345 -13.520 9.192 505 2HG1 ILE 61 2HG1 ILE 61 -9.209 -12.384 8.168 506 1HG2 ILE 61 1HG2 ILE 61 -6.178 -14.482 8.464 507 2HG2 ILE 61 2HG2 ILE 61 -5.453 -13.997 6.938 508 3HG2 ILE 61 3HG2 ILE 61 -6.886 -15.027 6.942 509 1HD1 ILE 61 1HD1 ILE 61 -8.783 -15.310 7.588 510 2HD1 ILE 61 2HD1 ILE 61 -9.693 -14.176 6.584 511 3HD1 ILE 61 3HD1 ILE 61 -10.264 -14.583 8.205 512 H GLY 62 H GLY 62 -4.177 -12.775 7.841 513 1HA GLY 62 1HA GLY 62 -3.383 -11.844 5.394 514 2HA GLY 62 2HA GLY 62 -2.996 -10.557 6.514 515 H ILE 63 H ILE 63 -1.190 -12.080 4.886 516 HA ILE 63 HA ILE 63 0.409 -13.073 7.062 517 HB ILE 63 HB ILE 63 1.550 -14.645 5.501 518 1HG1 ILE 63 1HG1 ILE 63 -0.850 -14.185 3.708 519 2HG1 ILE 63 2HG1 ILE 63 0.806 -13.713 3.350 520 1HG2 ILE 63 1HG2 ILE 63 -1.354 -15.176 6.070 521 2HG2 ILE 63 2HG2 ILE 63 0.014 -15.471 7.138 522 3HG2 ILE 63 3HG2 ILE 63 -0.166 -16.414 5.660 523 1HD1 ILE 63 1HD1 ILE 63 -0.199 -16.533 3.675 524 2HD1 ILE 63 2HD1 ILE 63 1.463 -16.067 3.313 525 3HD1 ILE 63 3HD1 ILE 63 0.179 -15.730 2.152 526 H ASP 64 H ASP 64 1.354 -11.139 7.321 527 HA ASP 64 HA ASP 64 2.860 -9.943 5.151 528 1HB ASP 64 1HB ASP 64 2.645 -9.235 8.102 529 2HB ASP 64 2HB ASP 64 3.801 -8.455 7.044 530 H GLU 65 H GLU 65 4.402 -11.374 4.523 531 HA GLU 65 HA GLU 65 5.836 -12.855 6.492 532 1HB GLU 65 1HB GLU 65 6.281 -12.606 3.521 533 2HB GLU 65 2HB GLU 65 7.091 -13.757 4.576 534 1HG GLU 65 1HG GLU 65 4.124 -13.640 4.065 535 2HG GLU 65 2HG GLU 65 5.252 -14.792 3.349 536 H GLU 66 H GLU 66 6.772 -10.385 4.139 537 HA GLU 66 HA GLU 66 8.518 -9.095 5.911 538 1HB GLU 66 1HB GLU 66 9.658 -11.380 5.085 539 2HB GLU 66 2HB GLU 66 9.922 -10.465 3.614 540 1HG GLU 66 1HG GLU 66 10.812 -9.217 6.131 541 2HG GLU 66 2HG GLU 66 11.706 -10.633 5.586 542 H ARG 67 H ARG 67 9.719 -7.399 4.353 543 HA ARG 67 HA ARG 67 7.552 -6.426 2.648 544 1HB ARG 67 1HB ARG 67 9.023 -5.120 4.450 545 2HB ARG 67 2HB ARG 67 10.056 -4.852 3.052 546 1HG ARG 67 1HG ARG 67 7.137 -4.096 3.234 547 2HG ARG 67 2HG ARG 67 8.491 -2.999 3.490 548 1HD ARG 67 1HD ARG 67 9.120 -3.117 1.204 549 2HD ARG 67 2HD ARG 67 8.054 -4.490 0.908 550 HE ARG 67 HE ARG 67 6.269 -2.746 1.670 551 1HH1 ARG 67 1HH1 ARG 67 8.993 -1.988 -0.437 552 2HH1 ARG 67 2HH1 ARG 67 8.146 -0.902 -1.443 553 1HH2 ARG 67 1HH2 ARG 67 5.045 -1.301 0.338 554 2HH2 ARG 67 2HH2 ARG 67 5.716 -0.512 -0.976 555 H SER 68 H SER 68 10.806 -7.500 2.618 556 HA SER 68 HA SER 68 11.056 -7.131 -0.217 557 1HB SER 68 1HB SER 68 12.924 -8.295 1.838 558 2HB SER 68 2HB SER 68 13.352 -7.738 0.204 559 HG SER 68 HG SER 68 13.336 -5.786 0.858 560 H THR 69 H THR 69 9.075 -8.791 0.723 561 HA THR 69 HA THR 69 9.536 -11.217 -0.715 562 HB THR 69 HB THR 69 8.681 -11.270 2.220 563 HG1 THR 69 HG1 THR 69 11.085 -11.171 1.278 564 1HG2 THR 69 1HG2 THR 69 9.153 -13.580 0.308 565 2HG2 THR 69 2HG2 THR 69 7.582 -13.026 0.885 566 3HG2 THR 69 3HG2 THR 69 8.736 -13.724 2.018 567 H VAL 70 H VAL 70 7.214 -12.285 -0.809 568 HA VAL 70 HA VAL 70 5.457 -10.100 -1.342 569 HB VAL 70 HB VAL 70 3.897 -11.801 -2.272 570 1HG1 VAL 70 1HG1 VAL 70 5.428 -10.749 -3.759 571 2HG1 VAL 70 2HG1 VAL 70 5.272 -12.446 -4.210 572 3HG1 VAL 70 3HG1 VAL 70 6.697 -11.893 -3.334 573 1HG2 VAL 70 1HG2 VAL 70 6.085 -13.790 -1.620 574 2HG2 VAL 70 2HG2 VAL 70 4.674 -14.125 -2.621 575 3HG2 VAL 70 3HG2 VAL 70 4.472 -13.747 -0.911 576 H MET 71 H MET 71 4.519 -9.212 0.248 577 HA MET 71 HA MET 71 3.510 -10.812 2.442 578 1HB MET 71 1HB MET 71 2.813 -8.682 3.473 579 2HB MET 71 2HB MET 71 4.500 -8.618 2.988 580 1HG MET 71 1HG MET 71 3.905 -7.272 1.047 581 2HG MET 71 2HG MET 71 2.199 -7.399 1.465 582 1HE MET 71 1HE MET 71 5.325 -5.205 4.044 583 2HE MET 71 2HE MET 71 5.673 -6.062 2.542 584 3HE MET 71 3HE MET 71 5.176 -6.962 3.977 585 H ILE 72 H ILE 72 1.506 -11.598 2.481 586 HA ILE 72 HA ILE 72 -0.319 -10.456 0.504 587 HB ILE 72 HB ILE 72 -0.248 -13.388 1.314 588 1HG1 ILE 72 1HG1 ILE 72 0.610 -12.097 -1.292 589 2HG1 ILE 72 2HG1 ILE 72 1.712 -12.736 -0.080 590 1HG2 ILE 72 1HG2 ILE 72 -1.852 -11.939 -0.809 591 2HG2 ILE 72 2HG2 ILE 72 -2.484 -12.585 0.705 592 3HG2 ILE 72 3HG2 ILE 72 -1.862 -13.681 -0.529 593 1HD1 ILE 72 1HD1 ILE 72 0.789 -14.975 -0.461 594 2HD1 ILE 72 2HD1 ILE 72 1.457 -14.275 -1.934 595 3HD1 ILE 72 3HD1 ILE 72 -0.290 -14.314 -1.687 596 HA PRO 73 HA PRO 73 -2.377 -10.145 4.506 597 1HB PRO 73 1HB PRO 73 -3.456 -7.624 3.502 598 2HB PRO 73 2HB PRO 73 -2.418 -7.878 4.905 599 1HG PRO 73 1HG PRO 73 -1.572 -6.603 2.648 600 2HG PRO 73 2HG PRO 73 -0.488 -7.519 3.710 601 1HD PRO 73 1HD PRO 73 -1.735 -8.343 1.113 602 2HD PRO 73 2HD PRO 73 -0.088 -8.634 1.720 603 H TYR 74 H TYR 74 -4.596 -10.434 4.842 604 HA TYR 74 HA TYR 74 -6.084 -10.886 2.389 605 1HB TYR 74 1HB TYR 74 -6.183 -12.340 5.030 606 2HB TYR 74 2HB TYR 74 -7.297 -12.639 3.686 607 HD1 TYR 74 HD1 TYR 74 -6.051 -13.186 1.404 608 HD2 TYR 74 HD2 TYR 74 -4.360 -13.722 5.258 609 HE1 TYR 74 HE1 TYR 74 -4.480 -14.825 0.479 610 HE2 TYR 74 HE2 TYR 74 -2.786 -15.356 4.346 611 HH TYR 74 HH TYR 74 -2.684 -16.851 2.464 612 H THR 75 H THR 75 -5.854 -8.458 3.539 613 HA THR 75 HA THR 75 -8.316 -8.080 4.973 614 HB THR 75 HB THR 75 -7.664 -5.765 5.062 615 HG1 THR 75 HG1 THR 75 -6.289 -5.884 3.165 616 1HG2 THR 75 1HG2 THR 75 -5.740 -6.008 6.655 617 2HG2 THR 75 2HG2 THR 75 -5.557 -7.672 6.093 618 3HG2 THR 75 3HG2 THR 75 -7.034 -7.178 6.921 619 H LYS 76 H LYS 76 -9.925 -8.147 3.639 620 HA LYS 76 HA LYS 76 -9.632 -7.014 0.968 621 1HB LYS 76 1HB LYS 76 -10.328 -9.362 1.009 622 2HB LYS 76 2HB LYS 76 -11.706 -8.950 2.016 623 1HG LYS 76 1HG LYS 76 -12.619 -7.577 0.210 624 2HG LYS 76 2HG LYS 76 -11.242 -8.004 -0.806 625 1HD LYS 76 1HD LYS 76 -11.894 -10.330 -0.779 626 2HD LYS 76 2HD LYS 76 -13.202 -9.985 0.355 627 1HE LYS 76 1HE LYS 76 -14.239 -8.520 -1.325 628 2HE LYS 76 2HE LYS 76 -12.947 -8.920 -2.456 629 1HZ LYS 76 1HZ LYS 76 -14.894 -10.833 -1.294 630 2HZ LYS 76 2HZ LYS 76 -13.710 -11.214 -2.433 631 3HZ LYS 76 3HZ LYS 76 -14.968 -10.183 -2.836 632 HA PRO 77 HA PRO 77 -12.568 -3.950 2.572 633 1HB PRO 77 1HB PRO 77 -11.164 -1.835 1.720 634 2HB PRO 77 2HB PRO 77 -10.717 -2.715 3.186 635 1HG PRO 77 1HG PRO 77 -9.273 -2.549 0.664 636 2HG PRO 77 2HG PRO 77 -8.743 -3.217 2.217 637 1HD PRO 77 1HD PRO 77 -9.859 -4.603 -0.125 638 2HD PRO 77 2HD PRO 77 -8.915 -5.237 1.245 639 H CYS 78 H CYS 78 -12.878 -1.739 1.131 640 HA CYS 78 HA CYS 78 -14.170 -2.821 -1.238 641 1HB CYS 78 1HB CYS 78 -14.303 -0.240 0.230 642 2HB CYS 78 2HB CYS 78 -15.324 -0.627 -1.187 643 HG CYS 78 HG CYS 78 -16.387 -0.844 1.634 644 H TYR 79 H TYR 79 -11.340 -2.388 -1.018 645 HA TYR 79 HA TYR 79 -10.818 -0.545 -3.246 646 1HB TYR 79 1HB TYR 79 -10.069 0.513 -1.203 647 2HB TYR 79 2HB TYR 79 -9.285 -0.949 -0.674 648 HD1 TYR 79 HD1 TYR 79 -8.926 2.153 -2.487 649 HD2 TYR 79 HD2 TYR 79 -7.148 -1.651 -1.823 650 HE1 TYR 79 HE1 TYR 79 -6.737 3.041 -3.181 651 HE2 TYR 79 HE2 TYR 79 -4.984 -0.787 -2.524 652 HH TYR 79 HH TYR 79 -4.451 2.448 -2.628 653 H GLY 80 H GLY 80 -8.842 -2.727 -1.296 654 1HA GLY 80 1HA GLY 80 -8.814 -5.025 -2.633 655 2HA GLY 80 2HA GLY 80 -7.773 -3.979 -3.607 656 H THR 81 H THR 81 -6.307 -5.788 -2.733 657 HA THR 81 HA THR 81 -5.163 -4.834 -0.202 658 HB THR 81 HB THR 81 -4.877 -7.638 -1.263 659 HG1 THR 81 HG1 THR 81 -6.826 -6.725 0.643 660 1HG2 THR 81 1HG2 THR 81 -4.434 -8.127 1.097 661 2HG2 THR 81 2HG2 THR 81 -4.719 -6.436 1.502 662 3HG2 THR 81 3HG2 THR 81 -3.340 -6.878 0.498 663 H ALA 82 H ALA 82 -2.834 -4.920 -0.077 664 HA ALA 82 HA ALA 82 -1.538 -4.603 -2.689 665 1HB ALA 82 1HB ALA 82 0.029 -3.194 -1.550 666 2HB ALA 82 2HB ALA 82 -0.636 -3.642 0.011 667 3HB ALA 82 3HB ALA 82 -1.590 -2.658 -1.087 668 H VAL 83 H VAL 83 -0.484 -6.412 -3.265 669 HA VAL 83 HA VAL 83 0.983 -7.838 -1.180 670 HB VAL 83 HB VAL 83 0.444 -8.668 -4.073 671 1HG1 VAL 83 1HG1 VAL 83 2.451 -9.678 -3.160 672 2HG1 VAL 83 2HG1 VAL 83 1.194 -10.904 -3.335 673 3HG1 VAL 83 3HG1 VAL 83 1.558 -10.227 -1.745 674 1HG2 VAL 83 1HG2 VAL 83 -1.175 -10.295 -3.184 675 2HG2 VAL 83 2HG2 VAL 83 -1.659 -8.634 -2.838 676 3HG2 VAL 83 3HG2 VAL 83 -0.947 -9.627 -1.567 677 H VAL 84 H VAL 84 2.619 -6.432 -0.985 678 HA VAL 84 HA VAL 84 3.929 -5.611 -3.459 679 HB VAL 84 HB VAL 84 4.817 -3.703 -2.218 680 1HG1 VAL 84 1HG1 VAL 84 2.742 -2.545 -1.802 681 2HG1 VAL 84 2HG1 VAL 84 1.885 -4.090 -1.865 682 3HG1 VAL 84 3HG1 VAL 84 2.711 -3.480 -3.297 683 1HG2 VAL 84 1HG2 VAL 84 3.279 -4.794 0.148 684 2HG2 VAL 84 2HG2 VAL 84 4.129 -3.250 0.078 685 3HG2 VAL 84 3HG2 VAL 84 5.036 -4.761 0.010 686 H GLU 85 H GLU 85 5.953 -6.133 -3.903 687 HA GLU 85 HA GLU 85 7.497 -7.345 -1.771 688 1HB GLU 85 1HB GLU 85 6.670 -9.171 -3.173 689 2HB GLU 85 2HB GLU 85 7.329 -8.387 -4.608 690 1HG GLU 85 1HG GLU 85 9.589 -8.589 -3.635 691 2HG GLU 85 2HG GLU 85 8.876 -9.431 -2.260 692 H LEU 86 H LEU 86 9.215 -6.193 -1.485 693 HA LEU 86 HA LEU 86 10.189 -4.540 -3.682 694 1HB LEU 86 1HB LEU 86 9.630 -3.518 -1.492 695 2HB LEU 86 2HB LEU 86 10.871 -4.504 -0.743 696 HG LEU 86 HG LEU 86 12.498 -3.352 -2.321 697 1HD1 LEU 86 1HD1 LEU 86 11.886 -1.161 -3.146 698 2HD1 LEU 86 2HD1 LEU 86 10.218 -1.443 -2.651 699 3HD1 LEU 86 3HD1 LEU 86 10.953 -2.454 -3.898 700 1HD2 LEU 86 1HD2 LEU 86 11.105 -1.738 -0.184 701 2HD2 LEU 86 2HD2 LEU 86 12.687 -1.368 -0.858 702 3HD2 LEU 86 3HD2 LEU 86 12.447 -2.856 0.058 703 HA PRO 87 HA PRO 87 13.511 -7.629 -3.793 704 1HB PRO 87 1HB PRO 87 14.809 -6.740 -5.958 705 2HB PRO 87 2HB PRO 87 13.222 -7.510 -6.098 706 1HG PRO 87 1HG PRO 87 13.919 -4.604 -6.122 707 2HG PRO 87 2HG PRO 87 12.785 -5.491 -7.153 708 1HD PRO 87 1HD PRO 87 12.040 -4.008 -4.970 709 2HD PRO 87 2HD PRO 87 11.102 -5.374 -5.604 710 H VAL 88 H VAL 88 13.609 -4.675 -2.689 711 HA VAL 88 HA VAL 88 16.525 -4.456 -2.395 712 HB VAL 88 HB VAL 88 14.470 -2.389 -1.525 713 1HG1 VAL 88 1HG1 VAL 88 16.293 -0.804 -1.636 714 2HG1 VAL 88 2HG1 VAL 88 17.390 -2.095 -2.124 715 3HG1 VAL 88 3HG1 VAL 88 16.632 -2.132 -0.531 716 1HG2 VAL 88 1HG2 VAL 88 14.139 -2.697 -3.930 717 2HG2 VAL 88 2HG2 VAL 88 15.864 -2.455 -4.205 718 3HG2 VAL 88 3HG2 VAL 88 14.874 -1.129 -3.598 719 H ASP 89 H ASP 89 17.169 -4.067 -0.098 720 HA ASP 89 HA ASP 89 15.948 -5.974 1.581 721 1HB ASP 89 1HB ASP 89 18.084 -3.926 2.018 722 2HB ASP 89 2HB ASP 89 17.525 -4.969 3.321 723 HA PRO 90 HA PRO 90 12.816 -3.814 3.759 724 1HB PRO 90 1HB PRO 90 13.051 -4.861 6.269 725 2HB PRO 90 2HB PRO 90 12.360 -5.751 4.907 726 1HG PRO 90 1HG PRO 90 15.145 -5.845 6.007 727 2HG PRO 90 2HG PRO 90 14.078 -7.188 5.547 728 1HD PRO 90 1HD PRO 90 16.021 -6.366 3.926 729 2HD PRO 90 2HD PRO 90 14.444 -6.864 3.280 730 H GLU 91 H GLU 91 16.046 -3.456 4.556 731 HA GLU 91 HA GLU 91 16.056 -1.801 6.808 732 1HB GLU 91 1HB GLU 91 18.254 -1.019 5.968 733 2HB GLU 91 2HB GLU 91 18.103 -2.768 5.940 734 1HG GLU 91 1HG GLU 91 17.610 -2.660 3.529 735 2HG GLU 91 2HG GLU 91 17.837 -0.926 3.567 736 H GLU 92 H GLU 92 15.161 -1.212 3.532 737 HA GLU 92 HA GLU 92 15.367 1.587 3.449 738 1HB GLU 92 1HB GLU 92 15.095 0.211 1.449 739 2HB GLU 92 2HB GLU 92 13.499 -0.276 1.993 740 1HG GLU 92 1HG GLU 92 13.293 1.387 0.264 741 2HG GLU 92 2HG GLU 92 12.727 2.030 1.798 742 H ILE 93 H ILE 93 13.022 -0.486 4.962 743 HA ILE 93 HA ILE 93 10.786 1.237 5.032 744 HB ILE 93 HB ILE 93 11.642 -0.816 7.061 745 1HG1 ILE 93 1HG1 ILE 93 9.675 -1.090 4.779 746 2HG1 ILE 93 2HG1 ILE 93 11.308 -1.749 4.805 747 1HG2 ILE 93 1HG2 ILE 93 8.919 0.459 6.668 748 2HG2 ILE 93 2HG2 ILE 93 9.998 0.703 8.043 749 3HG2 ILE 93 3HG2 ILE 93 9.258 -0.876 7.771 750 1HD1 ILE 93 1HD1 ILE 93 9.667 -3.459 5.296 751 2HD1 ILE 93 2HD1 ILE 93 9.064 -2.515 6.659 752 3HD1 ILE 93 3HD1 ILE 93 10.699 -3.173 6.696 753 H GLU 94 H GLU 94 13.560 0.950 7.187 754 HA GLU 94 HA GLU 94 12.665 2.612 9.282 755 1HB GLU 94 1HB GLU 94 15.512 2.378 8.301 756 2HB GLU 94 2HB GLU 94 14.981 2.789 9.922 757 1HG GLU 94 1HG GLU 94 14.063 0.532 10.167 758 2HG GLU 94 2HG GLU 94 14.671 0.128 8.563 759 H ARG 95 H ARG 95 14.506 3.266 6.416 760 HA ARG 95 HA ARG 95 14.871 6.031 6.862 761 1HB ARG 95 1HB ARG 95 16.274 4.444 5.447 762 2HB ARG 95 2HB ARG 95 14.994 4.486 4.256 763 1HG ARG 95 1HG ARG 95 16.468 6.948 5.160 764 2HG ARG 95 2HG ARG 95 17.021 5.932 3.838 765 1HD ARG 95 1HD ARG 95 14.334 7.269 3.974 766 2HD ARG 95 2HD ARG 95 15.736 7.914 3.119 767 HE ARG 95 HE ARG 95 14.962 5.235 2.337 768 1HH1 ARG 95 1HH1 ARG 95 14.564 8.706 1.727 769 2HH1 ARG 95 2HH1 ARG 95 14.059 8.497 0.125 770 1HH2 ARG 95 1HH2 ARG 95 14.324 4.953 0.149 771 2HH2 ARG 95 2HH2 ARG 95 13.890 6.303 -0.809 772 H ILE 96 H ILE 96 12.611 4.058 5.045 773 HA ILE 96 HA ILE 96 11.132 6.129 3.868 774 HB ILE 96 HB ILE 96 10.918 3.250 4.158 775 1HG1 ILE 96 1HG1 ILE 96 10.634 5.138 1.831 776 2HG1 ILE 96 2HG1 ILE 96 12.002 4.109 2.226 777 1HG2 ILE 96 1HG2 ILE 96 8.660 3.647 4.822 778 2HG2 ILE 96 2HG2 ILE 96 8.596 3.129 3.131 779 3HG2 ILE 96 3HG2 ILE 96 8.441 4.841 3.552 780 1HD1 ILE 96 1HD1 ILE 96 10.613 2.130 1.720 781 2HD1 ILE 96 2HD1 ILE 96 10.778 3.216 0.342 782 3HD1 ILE 96 3HD1 ILE 96 9.286 3.206 1.281 783 H LEU 97 H LEU 97 10.893 4.683 7.026 784 HA LEU 97 HA LEU 97 8.250 5.490 7.569 785 1HB LEU 97 1HB LEU 97 9.485 3.810 8.898 786 2HB LEU 97 2HB LEU 97 10.537 5.074 9.501 787 HG LEU 97 HG LEU 97 8.589 6.124 10.621 788 1HD1 LEU 97 1HD1 LEU 97 6.805 5.326 9.185 789 2HD1 LEU 97 2HD1 LEU 97 6.509 4.851 10.854 790 3HD1 LEU 97 3HD1 LEU 97 7.112 3.668 9.697 791 1HD2 LEU 97 1HD2 LEU 97 8.373 4.451 12.393 792 2HD2 LEU 97 2HD2 LEU 97 10.041 4.602 11.846 793 3HD2 LEU 97 3HD2 LEU 97 9.064 3.230 11.324 794 H GLU 98 H GLU 98 11.327 7.084 7.916 795 HA GLU 98 HA GLU 98 10.279 9.435 9.216 796 1HB GLU 98 1HB GLU 98 12.634 8.602 9.396 797 2HB GLU 98 2HB GLU 98 12.836 9.024 7.706 798 1HG GLU 98 1HG GLU 98 13.813 10.726 9.139 799 2HG GLU 98 2HG GLU 98 12.462 11.371 8.211 800 H VAL 99 H VAL 99 11.068 8.381 6.026 801 HA VAL 99 HA VAL 99 10.524 10.943 4.803 802 HB VAL 99 HB VAL 99 11.548 8.296 3.681 803 1HG1 VAL 99 1HG1 VAL 99 10.486 9.660 1.869 804 2HG1 VAL 99 2HG1 VAL 99 12.233 9.546 1.659 805 3HG1 VAL 99 3HG1 VAL 99 11.521 11.020 2.313 806 1HG2 VAL 99 1HG2 VAL 99 13.710 9.439 3.572 807 2HG2 VAL 99 2HG2 VAL 99 13.079 9.339 5.217 808 3HG2 VAL 99 3HG2 VAL 99 12.987 10.859 4.328 809 H ALA 100 H ALA 100 8.480 8.991 6.038 810 HA ALA 100 HA ALA 100 6.867 7.731 4.175 811 1HB ALA 100 1HB ALA 100 5.913 9.071 6.681 812 2HB ALA 100 2HB ALA 100 6.669 7.473 6.581 813 3HB ALA 100 3HB ALA 100 5.116 7.765 5.792 814 H GLU 101 H GLU 101 6.547 11.094 5.227 815 HA GLU 101 HA GLU 101 4.368 11.340 3.372 816 1HB GLU 101 1HB GLU 101 5.444 13.398 5.302 817 2HB GLU 101 2HB GLU 101 4.041 13.617 4.266 818 1HG GLU 101 1HG GLU 101 2.942 11.718 5.412 819 2HG GLU 101 2HG GLU 101 4.330 11.604 6.487 820 HA PRO 102 HA PRO 102 7.858 14.581 1.746 821 1HB PRO 102 1HB PRO 102 9.733 12.259 1.971 822 2HB PRO 102 2HB PRO 102 10.134 13.973 1.740 823 1HG PRO 102 1HG PRO 102 10.171 12.958 4.173 824 2HG PRO 102 2HG PRO 102 9.445 14.550 3.890 825 1HD PRO 102 1HD PRO 102 8.122 11.968 4.499 826 2HD PRO 102 2HD PRO 102 7.565 13.625 4.809 Start of MODEL 4 1 H HIS 1 H HIS 1 2.195 9.708 -11.698 2 HA HIS 1 HA HIS 1 0.635 8.036 -11.984 3 1HB HIS 1 1HB HIS 1 1.972 6.707 -13.657 4 2HB HIS 1 2HB HIS 1 3.011 6.173 -12.350 5 HD1 HIS 1 HD1 HIS 1 -0.502 5.700 -13.711 6 HD2 HIS 1 HD2 HIS 1 2.077 4.025 -10.913 7 HE1 HIS 1 HE1 HIS 1 -1.593 3.578 -12.947 8 H MET 2 H MET 2 0.514 9.023 -9.974 9 HA MET 2 HA MET 2 1.645 7.558 -7.676 10 1HB MET 2 1HB MET 2 1.255 10.543 -8.050 11 2HB MET 2 2HB MET 2 1.662 9.768 -6.536 12 1HG MET 2 1HG MET 2 3.626 10.779 -7.384 13 2HG MET 2 2HG MET 2 3.832 9.047 -7.598 14 1HE MET 2 1HE MET 2 5.872 9.483 -9.192 15 2HE MET 2 2HE MET 2 5.689 11.222 -8.965 16 3HE MET 2 3HE MET 2 5.824 10.551 -10.592 17 H THR 3 H THR 3 -0.002 7.200 -6.145 18 HA THR 3 HA THR 3 -2.618 8.096 -7.061 19 HB THR 3 HB THR 3 -2.477 5.686 -7.138 20 HG1 THR 3 HG1 THR 3 -4.185 5.172 -5.707 21 1HG2 THR 3 1HG2 THR 3 -1.833 5.789 -4.187 22 2HG2 THR 3 2HG2 THR 3 -0.724 5.307 -5.472 23 3HG2 THR 3 3HG2 THR 3 -2.144 4.322 -5.115 24 H PHE 4 H PHE 4 -3.648 9.472 -5.968 25 HA PHE 4 HA PHE 4 -3.197 9.636 -3.106 26 1HB PHE 4 1HB PHE 4 -3.656 12.005 -4.934 27 2HB PHE 4 2HB PHE 4 -3.396 12.061 -3.188 28 HD1 PHE 4 HD1 PHE 4 -1.211 11.052 -2.318 29 HD2 PHE 4 HD2 PHE 4 -1.857 12.163 -6.357 30 HE1 PHE 4 HE1 PHE 4 1.209 11.059 -2.695 31 HE2 PHE 4 HE2 PHE 4 0.552 12.183 -6.743 32 HZ PHE 4 HZ PHE 4 2.094 11.603 -4.901 33 H CYS 5 H CYS 5 -5.290 8.922 -5.489 34 HA CYS 5 HA CYS 5 -7.683 10.124 -4.418 35 1HB CYS 5 1HB CYS 5 -8.732 8.818 -6.287 36 2HB CYS 5 2HB CYS 5 -7.520 9.984 -6.809 37 HG CYS 5 HG CYS 5 -6.339 6.917 -6.241 38 H LEU 6 H LEU 6 -8.200 9.295 -2.514 39 HA LEU 6 HA LEU 6 -8.043 6.431 -2.243 40 1HB LEU 6 1HB LEU 6 -8.428 6.808 0.234 41 2HB LEU 6 2HB LEU 6 -6.902 7.280 -0.435 42 HG LEU 6 HG LEU 6 -7.569 8.733 1.328 43 1HD1 LEU 6 1HD1 LEU 6 -7.420 10.937 0.326 44 2HD1 LEU 6 2HD1 LEU 6 -7.556 10.190 -1.267 45 3HD1 LEU 6 3HD1 LEU 6 -6.213 9.779 -0.209 46 1HD2 LEU 6 1HD2 LEU 6 -9.973 8.570 1.277 47 2HD2 LEU 6 2HD2 LEU 6 -10.027 9.466 -0.242 48 3HD2 LEU 6 3HD2 LEU 6 -9.475 10.261 1.229 49 H GLU 7 H GLU 7 -10.360 8.984 -1.923 50 HA GLU 7 HA GLU 7 -12.394 7.138 -1.144 51 1HB GLU 7 1HB GLU 7 -12.252 9.331 -0.203 52 2HB GLU 7 2HB GLU 7 -12.514 10.101 -1.733 53 1HG GLU 7 1HG GLU 7 -14.762 8.964 -1.780 54 2HG GLU 7 2HG GLU 7 -14.421 8.435 -0.131 55 H THR 8 H THR 8 -11.061 7.824 -4.126 56 HA THR 8 HA THR 8 -13.426 7.873 -5.686 57 HB THR 8 HB THR 8 -11.764 7.170 -7.507 58 HG1 THR 8 HG1 THR 8 -9.879 6.573 -6.832 59 1HG2 THR 8 1HG2 THR 8 -11.148 9.624 -5.851 60 2HG2 THR 8 2HG2 THR 8 -12.381 9.524 -7.108 61 3HG2 THR 8 3HG2 THR 8 -10.674 9.378 -7.531 62 H TYR 9 H TYR 9 -11.533 5.486 -4.119 63 HA TYR 9 HA TYR 9 -12.548 3.281 -5.621 64 1HB TYR 9 1HB TYR 9 -10.297 3.269 -4.490 65 2HB TYR 9 2HB TYR 9 -11.132 3.211 -2.945 66 HD1 TYR 9 HD1 TYR 9 -11.246 1.384 -6.207 67 HD2 TYR 9 HD2 TYR 9 -11.247 1.124 -1.965 68 HE1 TYR 9 HE1 TYR 9 -11.318 -1.064 -6.363 69 HE2 TYR 9 HE2 TYR 9 -11.332 -1.322 -2.110 70 HH TYR 9 HH TYR 9 -11.840 -3.053 -3.568 71 H LEU 10 H LEU 10 -13.590 5.153 -2.955 72 HA LEU 10 HA LEU 10 -15.268 3.321 -1.616 73 1HB LEU 10 1HB LEU 10 -14.501 5.526 -0.705 74 2HB LEU 10 2HB LEU 10 -15.521 6.340 -1.857 75 HG LEU 10 HG LEU 10 -16.647 4.553 0.318 76 1HD1 LEU 10 1HD1 LEU 10 -17.015 6.559 1.629 77 2HD1 LEU 10 2HD1 LEU 10 -16.245 7.537 0.388 78 3HD1 LEU 10 3HD1 LEU 10 -15.289 6.366 1.303 79 1HD2 LEU 10 1HD2 LEU 10 -18.682 5.873 -0.036 80 2HD2 LEU 10 2HD2 LEU 10 -18.176 5.098 -1.538 81 3HD2 LEU 10 3HD2 LEU 10 -17.865 6.814 -1.284 82 H GLN 11 H GLN 11 -15.676 5.339 -4.433 83 HA GLN 11 HA GLN 11 -18.463 5.049 -4.825 84 1HB GLN 11 1HB GLN 11 -16.162 5.842 -6.537 85 2HB GLN 11 2HB GLN 11 -17.687 5.481 -7.307 86 1HG GLN 11 1HG GLN 11 -17.443 7.867 -6.988 87 2HG GLN 11 2HG GLN 11 -18.741 7.274 -5.964 88 1HE2 GLN 11 1HE2 GLN 11 -15.551 8.598 -6.081 89 2HE2 GLN 11 2HE2 GLN 11 -15.438 8.990 -4.407 90 H GLN 12 H GLN 12 -15.932 2.876 -5.122 91 HA GLN 12 HA GLN 12 -17.208 1.406 -7.236 92 1HB GLN 12 1HB GLN 12 -14.726 0.558 -5.746 93 2HB GLN 12 2HB GLN 12 -15.248 0.073 -7.355 94 1HG GLN 12 1HG GLN 12 -14.312 2.808 -6.539 95 2HG GLN 12 2HG GLN 12 -13.381 1.645 -7.488 96 1HE2 GLN 12 1HE2 GLN 12 -14.225 4.381 -8.000 97 2HE2 GLN 12 2HE2 GLN 12 -15.107 4.345 -9.475 98 H SER 13 H SER 13 -16.274 1.063 -3.837 99 HA SER 13 HA SER 13 -18.542 -0.528 -3.179 100 1HB SER 13 1HB SER 13 -15.825 -1.905 -3.055 101 2HB SER 13 2HB SER 13 -17.314 -2.543 -2.368 102 HG SER 13 HG SER 13 -17.678 -1.886 -4.934 103 H GLY 14 H GLY 14 -15.216 -0.230 -2.006 104 1HA GLY 14 1HA GLY 14 -16.136 1.270 0.285 105 2HA GLY 14 2HA GLY 14 -15.277 -0.250 0.570 106 H GLU 15 H GLU 15 -13.921 1.680 1.594 107 HA GLU 15 HA GLU 15 -12.169 2.780 -0.466 108 1HB GLU 15 1HB GLU 15 -13.263 4.169 1.417 109 2HB GLU 15 2HB GLU 15 -12.142 3.374 2.501 110 1HG GLU 15 1HG GLU 15 -10.261 4.360 1.291 111 2HG GLU 15 2HG GLU 15 -11.382 5.137 0.172 112 H TYR 16 H TYR 16 -9.714 2.862 0.464 113 HA TYR 16 HA TYR 16 -9.000 0.268 1.593 114 1HB TYR 16 1HB TYR 16 -8.537 -0.037 -0.720 115 2HB TYR 16 2HB TYR 16 -8.045 1.624 -0.932 116 HD1 TYR 16 HD1 TYR 16 -5.865 1.973 -1.388 117 HD2 TYR 16 HD2 TYR 16 -6.806 -1.466 0.918 118 HE1 TYR 16 HE1 TYR 16 -3.509 1.353 -1.398 119 HE2 TYR 16 HE2 TYR 16 -4.409 -2.101 0.921 120 HH TYR 16 HH TYR 16 -2.007 0.124 -0.148 121 H GLU 17 H GLU 17 -9.339 3.065 2.465 122 HA GLU 17 HA GLU 17 -6.745 3.568 3.645 123 1HB GLU 17 1HB GLU 17 -8.461 5.389 2.044 124 2HB GLU 17 2HB GLU 17 -7.591 6.075 3.387 125 1HG GLU 17 1HG GLU 17 -6.385 6.447 1.374 126 2HG GLU 17 2HG GLU 17 -5.479 5.303 2.342 127 H ILE 18 H ILE 18 -7.458 5.739 5.200 128 HA ILE 18 HA ILE 18 -9.874 4.839 6.414 129 HB ILE 18 HB ILE 18 -8.093 4.114 7.922 130 1HG1 ILE 18 1HG1 ILE 18 -9.860 6.250 9.144 131 2HG1 ILE 18 2HG1 ILE 18 -10.262 4.561 8.910 132 1HG2 ILE 18 1HG2 ILE 18 -6.352 5.673 7.649 133 2HG2 ILE 18 2HG2 ILE 18 -6.863 5.805 9.333 134 3HG2 ILE 18 3HG2 ILE 18 -7.373 7.019 8.159 135 1HD1 ILE 18 1HD1 ILE 18 -8.123 5.604 10.753 136 2HD1 ILE 18 2HD1 ILE 18 -8.587 3.914 10.567 137 3HD1 ILE 18 3HD1 ILE 18 -9.730 5.076 11.236 138 H HIS 19 H HIS 19 -10.136 6.631 4.602 139 HA HIS 19 HA HIS 19 -10.892 8.639 3.948 140 1HB HIS 19 1HB HIS 19 -11.826 8.771 6.838 141 2HB HIS 19 2HB HIS 19 -12.354 9.879 5.582 142 HD1 HIS 19 HD1 HIS 19 -12.801 7.480 3.369 143 HD2 HIS 19 HD2 HIS 19 -14.270 7.611 7.267 144 HE1 HIS 19 HE1 HIS 19 -14.867 6.093 3.376 145 H MET 20 H MET 20 -8.250 8.547 4.748 146 HA MET 20 HA MET 20 -7.710 11.315 5.584 147 1HB MET 20 1HB MET 20 -6.341 8.733 6.315 148 2HB MET 20 2HB MET 20 -5.488 10.268 6.534 149 1HG MET 20 1HG MET 20 -8.101 9.429 7.786 150 2HG MET 20 2HG MET 20 -6.533 9.351 8.577 151 1HE MET 20 1HE MET 20 -5.011 11.908 8.174 152 2HE MET 20 2HE MET 20 -5.406 11.300 9.783 153 3HE MET 20 3HE MET 20 -5.684 12.995 9.388 154 H LYS 21 H LYS 21 -4.860 11.305 4.788 155 HA LYS 21 HA LYS 21 -5.430 11.218 1.912 156 1HB LYS 21 1HB LYS 21 -2.931 12.259 3.227 157 2HB LYS 21 2HB LYS 21 -3.394 12.452 1.557 158 1HG LYS 21 1HG LYS 21 -4.759 13.682 3.930 159 2HG LYS 21 2HG LYS 21 -3.733 14.505 2.756 160 1HD LYS 21 1HD LYS 21 -5.359 13.960 0.987 161 2HD LYS 21 2HD LYS 21 -6.393 13.190 2.195 162 1HE LYS 21 1HE LYS 21 -5.576 16.087 2.107 163 2HE LYS 21 2HE LYS 21 -7.170 15.445 1.751 164 1HZ LYS 21 1HZ LYS 21 -7.109 16.331 3.987 165 2HZ LYS 21 2HZ LYS 21 -5.821 15.347 4.405 166 3HZ LYS 21 3HZ LYS 21 -7.302 14.662 4.060 167 H ARG 22 H ARG 22 -4.419 9.976 0.473 168 HA ARG 22 HA ARG 22 -2.684 7.917 1.612 169 1HB ARG 22 1HB ARG 22 -3.567 6.347 0.010 170 2HB ARG 22 2HB ARG 22 -4.910 7.340 0.466 171 1HG ARG 22 1HG ARG 22 -4.885 8.540 -1.543 172 2HG ARG 22 2HG ARG 22 -3.296 7.904 -1.970 173 1HD ARG 22 1HD ARG 22 -5.784 6.236 -1.690 174 2HD ARG 22 2HD ARG 22 -5.155 6.883 -3.205 175 HE ARG 22 HE ARG 22 -3.057 5.489 -2.265 176 1HH1 ARG 22 1HH1 ARG 22 -6.405 4.483 -2.171 177 2HH1 ARG 22 2HH1 ARG 22 -6.157 2.942 -2.823 178 1HH2 ARG 22 1HH2 ARG 22 -2.611 3.272 -3.070 179 2HH2 ARG 22 2HH2 ARG 22 -3.940 2.262 -3.352 180 H ALA 23 H ALA 23 -0.615 7.665 0.672 181 HA ALA 23 HA ALA 23 -0.141 9.301 -1.672 182 1HB ALA 23 1HB ALA 23 1.727 9.145 0.699 183 2HB ALA 23 2HB ALA 23 0.690 10.516 0.300 184 3HB ALA 23 3HB ALA 23 2.000 10.057 -0.787 185 H GLY 24 H GLY 24 -0.192 7.540 -3.006 186 1HA GLY 24 1HA GLY 24 1.840 5.499 -2.537 187 2HA GLY 24 2HA GLY 24 0.373 5.285 -3.494 188 H PHE 25 H PHE 25 3.456 6.906 -3.363 189 HA PHE 25 HA PHE 25 3.255 7.998 -5.990 190 1HB PHE 25 1HB PHE 25 5.683 7.552 -4.262 191 2HB PHE 25 2HB PHE 25 5.687 8.442 -5.772 192 HD1 PHE 25 HD1 PHE 25 4.966 10.675 -5.863 193 HD2 PHE 25 HD2 PHE 25 4.481 8.409 -2.325 194 HE1 PHE 25 HE1 PHE 25 4.500 12.756 -4.615 195 HE2 PHE 25 HE2 PHE 25 4.010 10.476 -1.046 196 HZ PHE 25 HZ PHE 25 4.019 12.653 -2.199 197 H ARG 26 H ARG 26 5.214 5.435 -4.662 198 HA ARG 26 HA ARG 26 5.896 4.518 -7.348 199 1HB ARG 26 1HB ARG 26 6.936 3.979 -4.615 200 2HB ARG 26 2HB ARG 26 7.364 2.949 -5.966 201 1HG ARG 26 1HG ARG 26 7.744 5.892 -6.190 202 2HG ARG 26 2HG ARG 26 8.884 4.915 -5.259 203 1HD ARG 26 1HD ARG 26 9.665 5.159 -7.555 204 2HD ARG 26 2HD ARG 26 9.256 3.489 -7.206 205 HE ARG 26 HE ARG 26 7.626 5.339 -8.805 206 1HH1 ARG 26 1HH1 ARG 26 8.451 2.002 -7.914 207 2HH1 ARG 26 2HH1 ARG 26 7.817 1.299 -9.325 208 1HH2 ARG 26 1HH2 ARG 26 6.731 4.354 -10.786 209 2HH2 ARG 26 2HH2 ARG 26 6.842 2.676 -11.000 210 H GLU 27 H GLU 27 4.110 3.493 -4.552 211 HA GLU 27 HA GLU 27 3.879 0.776 -5.533 212 1HB GLU 27 1HB GLU 27 3.956 1.593 -3.050 213 2HB GLU 27 2HB GLU 27 2.263 1.941 -3.346 214 1HG GLU 27 1HG GLU 27 1.760 -0.341 -3.697 215 2HG GLU 27 2HG GLU 27 3.467 -0.787 -3.640 216 H CYS 28 H CYS 28 2.426 3.692 -6.364 217 HA CYS 28 HA CYS 28 -0.253 3.155 -6.683 218 1HB CYS 28 1HB CYS 28 0.797 5.333 -7.172 219 2HB CYS 28 2HB CYS 28 1.573 4.636 -8.586 220 HG CYS 28 HG CYS 28 -0.655 4.318 -10.058 221 H ALA 29 H ALA 29 2.501 2.167 -8.684 222 HA ALA 29 HA ALA 29 0.958 1.088 -10.786 223 1HB ALA 29 1HB ALA 29 3.039 0.027 -11.497 224 2HB ALA 29 2HB ALA 29 3.771 0.415 -9.940 225 3HB ALA 29 3HB ALA 29 3.315 1.711 -11.045 226 H ALA 30 H ALA 30 2.431 -0.220 -7.913 227 HA ALA 30 HA ALA 30 1.735 -2.887 -8.198 228 1HB ALA 30 1HB ALA 30 2.070 -3.037 -5.798 229 2HB ALA 30 2HB ALA 30 1.973 -1.281 -5.674 230 3HB ALA 30 3HB ALA 30 3.313 -2.022 -6.538 231 H MET 31 H MET 31 -0.042 -0.141 -6.785 232 HA MET 31 HA MET 31 -2.082 -1.551 -5.528 233 1HB MET 31 1HB MET 31 -3.277 0.427 -5.214 234 2HB MET 31 2HB MET 31 -1.651 1.034 -5.462 235 1HG MET 31 1HG MET 31 -2.165 1.713 -7.689 236 2HG MET 31 2HG MET 31 -3.698 0.854 -7.661 237 1HE MET 31 1HE MET 31 -4.842 4.553 -7.906 238 2HE MET 31 2HE MET 31 -4.984 2.929 -8.579 239 3HE MET 31 3HE MET 31 -3.453 3.797 -8.690 240 H ILE 32 H ILE 32 -1.766 -0.712 -8.851 241 HA ILE 32 HA ILE 32 -4.401 -1.213 -9.691 242 HB ILE 32 HB ILE 32 -1.758 -1.344 -11.164 243 1HG1 ILE 32 1HG1 ILE 32 -2.240 0.876 -10.303 244 2HG1 ILE 32 2HG1 ILE 32 -2.353 0.869 -12.055 245 1HG2 ILE 32 1HG2 ILE 32 -3.014 -1.171 -13.270 246 2HG2 ILE 32 2HG2 ILE 32 -4.526 -1.301 -12.373 247 3HG2 ILE 32 3HG2 ILE 32 -3.400 -2.659 -12.401 248 1HD1 ILE 32 1HD1 ILE 32 -4.802 0.792 -11.878 249 2HD1 ILE 32 2HD1 ILE 32 -4.113 2.211 -11.089 250 3HD1 ILE 32 3HD1 ILE 32 -4.666 0.848 -10.118 251 H GLU 33 H GLU 33 -1.645 -3.317 -9.293 252 HA GLU 33 HA GLU 33 -3.203 -5.520 -10.385 253 1HB GLU 33 1HB GLU 33 -0.434 -5.579 -9.178 254 2HB GLU 33 2HB GLU 33 -1.162 -6.771 -10.247 255 1HG GLU 33 1HG GLU 33 -0.512 -3.949 -11.051 256 2HG GLU 33 2HG GLU 33 0.533 -5.334 -11.340 257 H LYS 34 H LYS 34 -2.218 -4.193 -7.401 258 HA LYS 34 HA LYS 34 -2.600 -6.314 -5.632 259 1HB LYS 34 1HB LYS 34 -2.765 -3.350 -5.376 260 2HB LYS 34 2HB LYS 34 -3.204 -4.367 -4.015 261 1HG LYS 34 1HG LYS 34 -1.058 -5.173 -3.746 262 2HG LYS 34 2HG LYS 34 -0.587 -4.767 -5.391 263 1HD LYS 34 1HD LYS 34 0.415 -3.375 -3.588 264 2HD LYS 34 2HD LYS 34 -0.367 -2.494 -4.894 265 1HE LYS 34 1HE LYS 34 -2.346 -2.109 -3.455 266 2HE LYS 34 2HE LYS 34 -1.627 -3.032 -2.152 267 1HZ LYS 34 1HZ LYS 34 -1.361 -0.677 -1.713 268 2HZ LYS 34 2HZ LYS 34 -0.692 -0.348 -3.169 269 3HZ LYS 34 3HZ LYS 34 0.170 -1.229 -2.045 270 H LYS 35 H LYS 35 -4.904 -4.537 -7.439 271 HA LYS 35 HA LYS 35 -7.022 -4.921 -5.634 272 1HB LYS 35 1HB LYS 35 -8.577 -4.521 -7.600 273 2HB LYS 35 2HB LYS 35 -7.512 -3.183 -7.156 274 1HG LYS 35 1HG LYS 35 -7.738 -3.325 -9.518 275 2HG LYS 35 2HG LYS 35 -6.124 -3.896 -9.115 276 1HD LYS 35 1HD LYS 35 -6.913 -6.215 -9.326 277 2HD LYS 35 2HD LYS 35 -8.519 -5.624 -9.747 278 1HE LYS 35 1HE LYS 35 -5.994 -5.047 -11.284 279 2HE LYS 35 2HE LYS 35 -7.168 -6.288 -11.710 280 1HZ LYS 35 1HZ LYS 35 -7.492 -4.271 -12.988 281 2HZ LYS 35 2HZ LYS 35 -7.705 -3.362 -11.586 282 3HZ LYS 35 3HZ LYS 35 -8.828 -4.540 -12.002 283 H ALA 36 H ALA 36 -5.467 -7.165 -7.552 284 HA ALA 36 HA ALA 36 -7.693 -8.886 -8.119 285 1HB ALA 36 1HB ALA 36 -6.017 -10.478 -8.900 286 2HB ALA 36 2HB ALA 36 -4.737 -9.471 -8.215 287 3HB ALA 36 3HB ALA 36 -5.719 -8.865 -9.549 288 H ARG 37 H ARG 37 -4.909 -9.161 -5.934 289 HA ARG 37 HA ARG 37 -6.462 -10.171 -3.789 290 1HB ARG 37 1HB ARG 37 -6.228 -12.199 -5.366 291 2HB ARG 37 2HB ARG 37 -4.516 -12.142 -4.966 292 1HG ARG 37 1HG ARG 37 -4.989 -12.529 -2.636 293 2HG ARG 37 2HG ARG 37 -6.724 -12.497 -2.953 294 1HD ARG 37 1HD ARG 37 -6.427 -14.439 -4.472 295 2HD ARG 37 2HD ARG 37 -4.728 -14.488 -4.004 296 HE ARG 37 HE ARG 37 -6.430 -14.570 -1.735 297 1HH1 ARG 37 1HH1 ARG 37 -5.179 -16.625 -4.332 298 2HH1 ARG 37 2HH1 ARG 37 -5.386 -18.068 -3.470 299 1HH2 ARG 37 1HH2 ARG 37 -6.643 -16.511 -0.529 300 2HH2 ARG 37 2HH2 ARG 37 -6.187 -18.010 -1.202 301 H ARG 38 H ARG 38 -3.181 -10.723 -5.069 302 HA ARG 38 HA ARG 38 -2.103 -8.692 -3.506 303 1HB ARG 38 1HB ARG 38 -0.622 -9.981 -2.028 304 2HB ARG 38 2HB ARG 38 -2.306 -10.365 -1.734 305 1HG ARG 38 1HG ARG 38 -2.089 -12.492 -2.798 306 2HG ARG 38 2HG ARG 38 -0.437 -12.109 -3.311 307 1HD ARG 38 1HD ARG 38 0.257 -11.913 -0.995 308 2HD ARG 38 2HD ARG 38 -1.382 -12.225 -0.451 309 HE ARG 38 HE ARG 38 -0.461 -14.373 -2.033 310 1HH1 ARG 38 1HH1 ARG 38 0.091 -12.882 1.133 311 2HH1 ARG 38 2HH1 ARG 38 0.510 -14.338 1.907 312 1HH2 ARG 38 1HH2 ARG 38 0.142 -16.368 -0.965 313 2HH2 ARG 38 2HH2 ARG 38 0.567 -16.376 0.674 314 H VAL 39 H VAL 39 -0.393 -7.915 -4.576 315 HA VAL 39 HA VAL 39 1.010 -9.721 -6.393 316 HB VAL 39 HB VAL 39 -0.084 -6.986 -7.148 317 1HG1 VAL 39 1HG1 VAL 39 1.543 -8.926 -8.826 318 2HG1 VAL 39 2HG1 VAL 39 2.125 -7.387 -8.195 319 3HG1 VAL 39 3HG1 VAL 39 0.843 -7.415 -9.404 320 1HG2 VAL 39 1HG2 VAL 39 -1.773 -8.725 -7.165 321 2HG2 VAL 39 2HG2 VAL 39 -0.753 -9.732 -8.190 322 3HG2 VAL 39 3HG2 VAL 39 -1.406 -8.218 -8.811 323 H VAL 40 H VAL 40 3.157 -9.000 -6.944 324 HA VAL 40 HA VAL 40 4.260 -7.305 -4.870 325 HB VAL 40 HB VAL 40 5.121 -9.646 -4.909 326 1HG1 VAL 40 1HG1 VAL 40 6.508 -10.460 -6.747 327 2HG1 VAL 40 2HG1 VAL 40 6.109 -9.014 -7.672 328 3HG1 VAL 40 3HG1 VAL 40 4.841 -10.161 -7.245 329 1HG2 VAL 40 1HG2 VAL 40 6.648 -7.903 -4.119 330 2HG2 VAL 40 2HG2 VAL 40 7.217 -7.644 -5.768 331 3HG2 VAL 40 3HG2 VAL 40 7.537 -9.179 -4.957 332 H HIS 41 H HIS 41 5.757 -5.766 -5.372 333 HA HIS 41 HA HIS 41 6.192 -5.150 -8.161 334 1HB HIS 41 1HB HIS 41 4.162 -3.925 -7.418 335 2HB HIS 41 2HB HIS 41 5.087 -3.213 -6.112 336 HD1 HIS 41 HD1 HIS 41 4.810 -3.097 -9.903 337 HD2 HIS 41 HD2 HIS 41 6.253 -0.838 -6.732 338 HE1 HIS 41 HE1 HIS 41 5.633 -0.945 -10.892 339 H ILE 42 H ILE 42 8.233 -4.090 -8.390 340 HA ILE 42 HA ILE 42 9.801 -3.919 -5.938 341 HB ILE 42 HB ILE 42 10.779 -5.325 -7.773 342 1HG1 ILE 42 1HG1 ILE 42 12.366 -2.814 -7.177 343 2HG1 ILE 42 2HG1 ILE 42 12.261 -4.228 -6.143 344 1HG2 ILE 42 1HG2 ILE 42 10.937 -2.745 -9.320 345 2HG2 ILE 42 2HG2 ILE 42 9.888 -4.110 -9.684 346 3HG2 ILE 42 3HG2 ILE 42 11.640 -4.289 -9.812 347 1HD1 ILE 42 1HD1 ILE 42 14.357 -4.173 -7.360 348 2HD1 ILE 42 2HD1 ILE 42 13.477 -4.120 -8.888 349 3HD1 ILE 42 3HD1 ILE 42 13.380 -5.554 -7.863 350 H LYS 43 H LYS 43 10.942 -2.057 -5.429 351 HA LYS 43 HA LYS 43 11.274 0.161 -5.140 352 1HB LYS 43 1HB LYS 43 10.337 0.487 -7.993 353 2HB LYS 43 2HB LYS 43 11.131 1.724 -7.043 354 1HG LYS 43 1HG LYS 43 13.155 0.274 -6.980 355 2HG LYS 43 2HG LYS 43 12.326 -0.839 -8.074 356 1HD LYS 43 1HD LYS 43 12.926 2.062 -8.625 357 2HD LYS 43 2HD LYS 43 13.813 0.693 -9.291 358 1HE LYS 43 1HE LYS 43 11.787 -0.041 -10.465 359 2HE LYS 43 2HE LYS 43 10.883 1.278 -9.739 360 1HZ LYS 43 1HZ LYS 43 13.158 1.626 -11.628 361 2HZ LYS 43 2HZ LYS 43 12.247 2.847 -10.894 362 3HZ LYS 43 3HZ LYS 43 11.517 1.816 -11.964 363 HA PRO 44 HA PRO 44 6.628 0.925 -5.004 364 1HB PRO 44 1HB PRO 44 6.263 -0.546 -2.533 365 2HB PRO 44 2HB PRO 44 5.562 -0.881 -4.121 366 1HG PRO 44 1HG PRO 44 7.412 -2.583 -3.068 367 2HG PRO 44 2HG PRO 44 7.319 -2.209 -4.785 368 1HD PRO 44 1HD PRO 44 9.041 -0.859 -2.740 369 2HD PRO 44 2HD PRO 44 9.543 -1.729 -4.218 370 H GLY 45 H GLY 45 5.461 2.300 -3.375 371 1HA GLY 45 1HA GLY 45 6.736 3.139 -1.029 372 2HA GLY 45 2HA GLY 45 7.089 4.255 -2.345 373 H GLU 46 H GLU 46 4.468 2.592 -0.789 374 HA GLU 46 HA GLU 46 2.877 5.013 -1.067 375 1HB GLU 46 1HB GLU 46 1.822 3.485 -2.414 376 2HB GLU 46 2HB GLU 46 2.080 2.132 -1.334 377 1HG GLU 46 1HG GLU 46 0.357 3.068 0.129 378 2HG GLU 46 2HG GLU 46 0.126 4.399 -1.015 379 H LYS 47 H LYS 47 2.307 5.980 0.632 380 HA LYS 47 HA LYS 47 2.365 4.588 3.175 381 1HB LYS 47 1HB LYS 47 4.047 6.641 2.279 382 2HB LYS 47 2HB LYS 47 2.813 7.461 3.217 383 1HG LYS 47 1HG LYS 47 4.495 5.171 4.238 384 2HG LYS 47 2HG LYS 47 4.806 6.878 4.533 385 1HD LYS 47 1HD LYS 47 2.805 7.127 5.771 386 2HD LYS 47 2HD LYS 47 2.231 5.536 5.289 387 1HE LYS 47 1HE LYS 47 4.727 6.015 6.909 388 2HE LYS 47 2HE LYS 47 3.151 5.663 7.614 389 1HZ LYS 47 1HZ LYS 47 3.147 3.544 6.485 390 2HZ LYS 47 2HZ LYS 47 4.521 3.681 7.423 391 3HZ LYS 47 3HZ LYS 47 4.631 3.861 5.759 392 H ILE 48 H ILE 48 0.225 4.397 3.420 393 HA ILE 48 HA ILE 48 -1.287 6.734 2.683 394 HB ILE 48 HB ILE 48 -3.325 5.384 2.591 395 1HG1 ILE 48 1HG1 ILE 48 -2.450 3.506 4.151 396 2HG1 ILE 48 2HG1 ILE 48 -3.450 3.022 2.790 397 1HG2 ILE 48 1HG2 ILE 48 -2.901 4.316 0.471 398 2HG2 ILE 48 2HG2 ILE 48 -1.201 4.167 0.880 399 3HG2 ILE 48 3HG2 ILE 48 -1.869 5.762 0.591 400 1HD1 ILE 48 1HD1 ILE 48 -0.450 2.846 2.964 401 2HD1 ILE 48 2HD1 ILE 48 -1.430 2.374 1.581 402 3HD1 ILE 48 3HD1 ILE 48 -1.599 1.513 3.108 403 H LEU 49 H LEU 49 -2.267 7.859 4.057 404 HA LEU 49 HA LEU 49 -3.015 8.777 5.943 405 1HB LEU 49 1HB LEU 49 -3.664 6.114 7.132 406 2HB LEU 49 2HB LEU 49 -4.518 7.620 7.288 407 HG LEU 49 HG LEU 49 -6.021 6.538 6.000 408 1HD1 LEU 49 1HD1 LEU 49 -5.483 8.360 4.625 409 2HD1 LEU 49 2HD1 LEU 49 -5.915 6.952 3.665 410 3HD1 LEU 49 3HD1 LEU 49 -4.230 7.416 3.838 411 1HD2 LEU 49 1HD2 LEU 49 -4.929 4.412 6.071 412 2HD2 LEU 49 2HD2 LEU 49 -3.795 4.932 4.824 413 3HD2 LEU 49 3HD2 LEU 49 -5.503 4.741 4.433 414 H GLY 50 H GLY 50 -0.259 7.523 5.925 415 1HA GLY 50 1HA GLY 50 1.508 7.669 7.499 416 2HA GLY 50 2HA GLY 50 0.315 8.085 8.727 417 H ALA 51 H ALA 51 -1.265 5.639 7.980 418 HA ALA 51 HA ALA 51 0.431 3.447 8.818 419 1HB ALA 51 1HB ALA 51 -1.217 2.793 10.562 420 2HB ALA 51 2HB ALA 51 -2.091 4.298 10.265 421 3HB ALA 51 3HB ALA 51 -0.457 4.344 10.916 422 H ARG 52 H ARG 52 -0.463 1.421 8.113 423 HA ARG 52 HA ARG 52 -2.062 1.669 5.714 424 1HB ARG 52 1HB ARG 52 -1.246 -0.927 7.062 425 2HB ARG 52 2HB ARG 52 -1.680 -0.696 5.385 426 1HG ARG 52 1HG ARG 52 0.807 0.494 6.610 427 2HG ARG 52 2HG ARG 52 0.772 -1.119 5.924 428 1HD ARG 52 1HD ARG 52 0.069 1.384 4.392 429 2HD ARG 52 2HD ARG 52 1.687 0.700 4.436 430 HE ARG 52 HE ARG 52 -0.376 -1.140 3.564 431 1HH1 ARG 52 1HH1 ARG 52 2.007 1.304 2.357 432 2HH1 ARG 52 2HH1 ARG 52 2.022 0.612 0.807 433 1HH2 ARG 52 1HH2 ARG 52 -0.240 -1.955 1.382 434 2HH2 ARG 52 2HH2 ARG 52 0.809 -1.175 0.241 435 H ILE 53 H ILE 53 -4.253 2.385 6.499 436 HA ILE 53 HA ILE 53 -5.634 0.181 7.823 437 HB ILE 53 HB ILE 53 -6.427 3.101 7.776 438 1HG1 ILE 53 1HG1 ILE 53 -6.321 2.765 10.397 439 2HG1 ILE 53 2HG1 ILE 53 -5.206 1.473 9.981 440 1HG2 ILE 53 1HG2 ILE 53 -7.754 0.736 9.101 441 2HG2 ILE 53 2HG2 ILE 53 -8.374 1.690 7.753 442 3HG2 ILE 53 3HG2 ILE 53 -8.247 2.407 9.355 443 1HD1 ILE 53 1HD1 ILE 53 -3.785 3.078 8.848 444 2HD1 ILE 53 2HD1 ILE 53 -4.051 3.498 10.542 445 3HD1 ILE 53 3HD1 ILE 53 -4.910 4.368 9.271 446 H ILE 54 H ILE 54 -7.134 -0.722 6.591 447 HA ILE 54 HA ILE 54 -7.584 0.424 3.958 448 HB ILE 54 HB ILE 54 -8.386 -2.260 5.144 449 1HG1 ILE 54 1HG1 ILE 54 -6.074 -1.507 3.337 450 2HG1 ILE 54 2HG1 ILE 54 -5.960 -1.954 5.032 451 1HG2 ILE 54 1HG2 ILE 54 -8.359 -1.416 2.242 452 2HG2 ILE 54 2HG2 ILE 54 -9.814 -1.572 3.226 453 3HG2 ILE 54 3HG2 ILE 54 -8.830 -2.994 2.868 454 1HD1 ILE 54 1HD1 ILE 54 -6.836 -3.742 2.778 455 2HD1 ILE 54 2HD1 ILE 54 -6.707 -4.210 4.473 456 3HD1 ILE 54 3HD1 ILE 54 -5.263 -3.761 3.571 457 H GLY 55 H GLY 55 -9.009 0.167 7.006 458 1HA GLY 55 1HA GLY 55 -10.859 1.407 7.785 459 2HA GLY 55 2HA GLY 55 -11.360 1.655 6.116 460 H ILE 56 H ILE 56 -10.809 -1.239 5.831 461 HA ILE 56 HA ILE 56 -13.331 -2.307 6.859 462 HB ILE 56 HB ILE 56 -11.876 -2.867 4.250 463 1HG1 ILE 56 1HG1 ILE 56 -14.569 -1.558 4.714 464 2HG1 ILE 56 2HG1 ILE 56 -13.082 -0.685 4.387 465 1HG2 ILE 56 1HG2 ILE 56 -13.808 -4.291 3.682 466 2HG2 ILE 56 2HG2 ILE 56 -14.461 -4.026 5.300 467 3HG2 ILE 56 3HG2 ILE 56 -12.939 -4.891 5.095 468 1HD1 ILE 56 1HD1 ILE 56 -14.479 -0.878 2.422 469 2HD1 ILE 56 2HD1 ILE 56 -14.420 -2.641 2.540 470 3HD1 ILE 56 3HD1 ILE 56 -12.949 -1.726 2.200 471 HA PRO 57 HA PRO 57 -10.103 -4.569 9.143 472 1HB PRO 57 1HB PRO 57 -12.536 -6.092 9.926 473 2HB PRO 57 2HB PRO 57 -11.255 -5.420 10.941 474 1HG PRO 57 1HG PRO 57 -13.623 -4.237 10.807 475 2HG PRO 57 2HG PRO 57 -12.137 -3.275 10.860 476 1HD PRO 57 1HD PRO 57 -13.921 -3.877 8.550 477 2HD PRO 57 2HD PRO 57 -13.029 -2.391 8.941 478 HA PRO 58 HA PRO 58 -10.243 -8.024 6.246 479 1HB PRO 58 1HB PRO 58 -7.607 -8.028 5.727 480 2HB PRO 58 2HB PRO 58 -8.726 -6.910 4.952 481 1HG PRO 58 1HG PRO 58 -6.634 -6.349 6.916 482 2HG PRO 58 2HG PRO 58 -7.563 -5.221 5.920 483 1HD PRO 58 1HD PRO 58 -7.967 -5.978 8.696 484 2HD PRO 58 2HD PRO 58 -8.704 -4.649 7.762 485 H VAL 59 H VAL 59 -8.967 -10.039 6.165 486 HA VAL 59 HA VAL 59 -8.418 -11.088 8.803 487 HB VAL 59 HB VAL 59 -8.020 -12.418 6.099 488 1HG1 VAL 59 1HG1 VAL 59 -8.369 -13.605 8.843 489 2HG1 VAL 59 2HG1 VAL 59 -6.879 -13.550 7.903 490 3HG1 VAL 59 3HG1 VAL 59 -8.239 -14.519 7.341 491 1HG2 VAL 59 1HG2 VAL 59 -10.225 -13.446 6.413 492 2HG2 VAL 59 2HG2 VAL 59 -10.327 -11.689 6.280 493 3HG2 VAL 59 3HG2 VAL 59 -10.469 -12.462 7.858 494 HA PRO 60 HA PRO 60 -4.204 -9.808 7.741 495 1HB PRO 60 1HB PRO 60 -3.436 -9.428 10.399 496 2HB PRO 60 2HB PRO 60 -4.114 -8.203 9.330 497 1HG PRO 60 1HG PRO 60 -5.348 -9.275 11.643 498 2HG PRO 60 2HG PRO 60 -6.106 -8.246 10.421 499 1HD PRO 60 1HD PRO 60 -6.203 -11.214 10.720 500 2HD PRO 60 2HD PRO 60 -7.435 -10.080 10.113 501 H ILE 61 H ILE 61 -3.297 -11.667 6.993 502 HA ILE 61 HA ILE 61 -1.808 -13.238 8.981 503 HB ILE 61 HB ILE 61 -3.014 -14.437 6.456 504 1HG1 ILE 61 1HG1 ILE 61 -3.994 -14.846 9.292 505 2HG1 ILE 61 2HG1 ILE 61 -4.777 -13.790 8.124 506 1HG2 ILE 61 1HG2 ILE 61 -1.703 -15.717 8.863 507 2HG2 ILE 61 2HG2 ILE 61 -0.993 -15.544 7.258 508 3HG2 ILE 61 3HG2 ILE 61 -2.396 -16.585 7.492 509 1HD1 ILE 61 1HD1 ILE 61 -4.421 -16.767 7.866 510 2HD1 ILE 61 2HD1 ILE 61 -5.190 -15.718 6.676 511 3HD1 ILE 61 3HD1 ILE 61 -5.918 -15.924 8.266 512 H GLY 62 H GLY 62 0.038 -11.915 8.422 513 1HA GLY 62 1HA GLY 62 0.947 -12.484 5.710 514 2HA GLY 62 2HA GLY 62 0.913 -10.819 6.279 515 H ILE 63 H ILE 63 3.132 -12.360 5.262 516 HA ILE 63 HA ILE 63 4.844 -12.722 7.591 517 HB ILE 63 HB ILE 63 5.321 -13.434 4.676 518 1HG1 ILE 63 1HG1 ILE 63 4.511 -15.268 6.951 519 2HG1 ILE 63 2HG1 ILE 63 3.421 -14.694 5.697 520 1HG2 ILE 63 1HG2 ILE 63 7.151 -14.826 5.560 521 2HG2 ILE 63 2HG2 ILE 63 6.799 -14.245 7.187 522 3HG2 ILE 63 3HG2 ILE 63 7.380 -13.122 5.960 523 1HD1 ILE 63 1HD1 ILE 63 4.191 -16.968 5.266 524 2HD1 ILE 63 2HD1 ILE 63 5.863 -16.396 5.249 525 3HD1 ILE 63 3HD1 ILE 63 4.733 -15.854 4.010 526 H ASP 64 H ASP 64 5.680 -10.782 8.094 527 HA ASP 64 HA ASP 64 6.450 -8.917 5.989 528 1HB ASP 64 1HB ASP 64 6.041 -8.621 8.947 529 2HB ASP 64 2HB ASP 64 7.070 -7.477 8.105 530 H GLU 65 H GLU 65 8.355 -9.628 5.100 531 HA GLU 65 HA GLU 65 10.447 -10.624 6.746 532 1HB GLU 65 1HB GLU 65 10.284 -9.818 3.844 533 2HB GLU 65 2HB GLU 65 11.739 -10.466 4.587 534 1HG GLU 65 1HG GLU 65 9.094 -11.888 4.456 535 2HG GLU 65 2HG GLU 65 10.447 -12.152 3.352 536 H GLU 66 H GLU 66 10.370 -7.895 4.531 537 HA GLU 66 HA GLU 66 11.396 -6.023 6.388 538 1HB GLU 66 1HB GLU 66 13.389 -7.539 5.675 539 2HB GLU 66 2HB GLU 66 13.168 -6.833 4.079 540 1HG GLU 66 1HG GLU 66 13.693 -4.643 4.958 541 2HG GLU 66 2HG GLU 66 13.851 -5.321 6.580 542 H ARG 67 H ARG 67 11.724 -3.990 5.010 543 HA ARG 67 HA ARG 67 9.521 -3.849 3.128 544 1HB ARG 67 1HB ARG 67 10.709 -2.045 4.844 545 2HB ARG 67 2HB ARG 67 11.288 -1.522 3.269 546 1HG ARG 67 1HG ARG 67 8.408 -1.874 4.061 547 2HG ARG 67 2HG ARG 67 9.292 -0.360 3.913 548 1HD ARG 67 1HD ARG 67 9.498 -0.595 1.584 549 2HD ARG 67 2HD ARG 67 8.920 -2.260 1.630 550 HE ARG 67 HE ARG 67 6.884 -0.910 2.746 551 1HH1 ARG 67 1HH1 ARG 67 8.565 -0.235 -0.258 552 2HH1 ARG 67 2HH1 ARG 67 7.175 0.253 -1.106 553 1HH2 ARG 67 1HH2 ARG 67 4.986 -0.312 1.648 554 2HH2 ARG 67 2HH2 ARG 67 4.933 0.093 0.009 555 H SER 68 H SER 68 12.962 -3.873 3.144 556 HA SER 68 HA SER 68 13.150 -3.411 0.363 557 1HB SER 68 1HB SER 68 15.651 -3.902 1.265 558 2HB SER 68 2HB SER 68 14.853 -2.318 1.346 559 HG SER 68 HG SER 68 15.329 -4.193 3.374 560 H THR 69 H THR 69 11.865 -5.697 1.317 561 HA THR 69 HA THR 69 13.142 -7.817 -0.152 562 HB THR 69 HB THR 69 12.315 -8.176 2.770 563 HG1 THR 69 HG1 THR 69 14.688 -7.519 1.604 564 1HG2 THR 69 1HG2 THR 69 13.691 -10.122 0.895 565 2HG2 THR 69 2HG2 THR 69 11.994 -10.192 1.362 566 3HG2 THR 69 3HG2 THR 69 13.244 -10.446 2.570 567 H VAL 70 H VAL 70 11.304 -9.615 -0.257 568 HA VAL 70 HA VAL 70 8.890 -8.171 -0.767 569 HB VAL 70 HB VAL 70 7.971 -10.340 -1.588 570 1HG1 VAL 70 1HG1 VAL 70 9.425 -10.557 -3.568 571 2HG1 VAL 70 2HG1 VAL 70 10.565 -9.447 -2.799 572 3HG1 VAL 70 3HG1 VAL 70 8.924 -8.919 -3.186 573 1HG2 VAL 70 1HG2 VAL 70 9.481 -12.261 -1.951 574 2HG2 VAL 70 2HG2 VAL 70 9.227 -11.930 -0.240 575 3HG2 VAL 70 3HG2 VAL 70 10.733 -11.449 -1.008 576 H MET 71 H MET 71 7.795 -7.597 0.908 577 HA MET 71 HA MET 71 7.448 -9.550 3.017 578 1HB MET 71 1HB MET 71 6.182 -7.898 4.273 579 2HB MET 71 2HB MET 71 7.552 -7.045 3.594 580 1HG MET 71 1HG MET 71 6.103 -6.093 1.891 581 2HG MET 71 2HG MET 71 4.730 -6.990 2.537 582 1HE MET 71 1HE MET 71 3.162 -4.985 2.978 583 2HE MET 71 2HE MET 71 4.317 -3.921 2.171 584 3HE MET 71 3HE MET 71 3.656 -3.477 3.739 585 H ILE 72 H ILE 72 5.946 -11.046 2.887 586 HA ILE 72 HA ILE 72 3.947 -10.675 0.776 587 HB ILE 72 HB ILE 72 4.962 -13.326 1.864 588 1HG1 ILE 72 1HG1 ILE 72 5.648 -11.951 -0.752 589 2HG1 ILE 72 2HG1 ILE 72 6.727 -12.082 0.629 590 1HG2 ILE 72 1HG2 ILE 72 2.687 -13.418 0.948 591 2HG2 ILE 72 2HG2 ILE 72 3.815 -14.277 -0.102 592 3HG2 ILE 72 3HG2 ILE 72 3.249 -12.668 -0.546 593 1HD1 ILE 72 1HD1 ILE 72 6.729 -14.518 0.376 594 2HD1 ILE 72 2HD1 ILE 72 7.276 -13.704 -1.088 595 3HD1 ILE 72 3HD1 ILE 72 5.644 -14.369 -1.008 596 HA PRO 73 HA PRO 73 1.465 -11.125 4.450 597 1HB PRO 73 1HB PRO 73 0.011 -8.784 4.048 598 2HB PRO 73 2HB PRO 73 1.450 -8.932 5.061 599 1HG PRO 73 1HG PRO 73 1.214 -7.457 2.644 600 2HG PRO 73 2HG PRO 73 2.691 -7.765 3.567 601 1HD PRO 73 1HD PRO 73 1.624 -9.180 1.173 602 2HD PRO 73 2HD PRO 73 3.308 -8.907 1.677 603 H TYR 74 H TYR 74 -0.916 -11.333 4.641 604 HA TYR 74 HA TYR 74 -2.306 -11.335 2.138 605 1HB TYR 74 1HB TYR 74 -1.536 -13.665 2.540 606 2HB TYR 74 2HB TYR 74 -2.370 -13.632 4.095 607 HD1 TYR 74 HD1 TYR 74 -2.990 -13.178 0.461 608 HD2 TYR 74 HD2 TYR 74 -4.567 -14.400 4.212 609 HE1 TYR 74 HE1 TYR 74 -5.019 -13.960 -0.659 610 HE2 TYR 74 HE2 TYR 74 -6.607 -15.184 3.105 611 HH TYR 74 HH TYR 74 -7.827 -14.953 1.109 612 H THR 75 H THR 75 -3.873 -9.989 2.494 613 HA THR 75 HA THR 75 -5.206 -10.206 5.037 614 HB THR 75 HB THR 75 -5.682 -7.750 4.877 615 HG1 THR 75 HG1 THR 75 -4.343 -8.054 2.499 616 1HG2 THR 75 1HG2 THR 75 -2.752 -8.478 5.015 617 2HG2 THR 75 2HG2 THR 75 -3.896 -8.457 6.360 618 3HG2 THR 75 3HG2 THR 75 -3.436 -6.953 5.570 619 H LYS 76 H LYS 76 -7.461 -10.231 4.762 620 HA LYS 76 HA LYS 76 -8.270 -10.016 1.956 621 1HB LYS 76 1HB LYS 76 -8.545 -12.301 2.837 622 2HB LYS 76 2HB LYS 76 -9.657 -11.687 4.058 623 1HG LYS 76 1HG LYS 76 -11.217 -10.992 2.356 624 2HG LYS 76 2HG LYS 76 -10.055 -11.440 1.106 625 1HD LYS 76 1HD LYS 76 -10.225 -13.760 1.738 626 2HD LYS 76 2HD LYS 76 -11.357 -13.347 3.034 627 1HE LYS 76 1HE LYS 76 -12.511 -14.174 1.031 628 2HE LYS 76 2HE LYS 76 -12.945 -12.506 1.405 629 1HZ LYS 76 1HZ LYS 76 -11.372 -11.786 -0.315 630 2HZ LYS 76 2HZ LYS 76 -12.564 -12.753 -0.963 631 3HZ LYS 76 3HZ LYS 76 -11.022 -13.379 -0.697 632 HA PRO 77 HA PRO 77 -10.887 -6.743 3.627 633 1HB PRO 77 1HB PRO 77 -9.769 -4.737 2.224 634 2HB PRO 77 2HB PRO 77 -9.005 -5.351 3.689 635 1HG PRO 77 1HG PRO 77 -8.112 -5.581 0.920 636 2HG PRO 77 2HG PRO 77 -7.228 -5.963 2.404 637 1HD PRO 77 1HD PRO 77 -8.708 -7.755 0.603 638 2HD PRO 77 2HD PRO 77 -7.492 -8.143 1.842 639 H CYS 78 H CYS 78 -11.446 -4.676 1.702 640 HA CYS 78 HA CYS 78 -12.892 -6.187 -0.328 641 1HB CYS 78 1HB CYS 78 -14.114 -4.595 1.190 642 2HB CYS 78 2HB CYS 78 -13.172 -3.283 0.507 643 HG CYS 78 HG CYS 78 -14.537 -4.761 -2.024 644 H TYR 79 H TYR 79 -9.936 -5.241 -0.187 645 HA TYR 79 HA TYR 79 -9.868 -4.031 -2.862 646 1HB TYR 79 1HB TYR 79 -9.221 -2.343 -1.120 647 2HB TYR 79 2HB TYR 79 -7.883 -3.382 -0.653 648 HD1 TYR 79 HD1 TYR 79 -5.926 -3.654 -2.211 649 HD2 TYR 79 HD2 TYR 79 -9.130 -1.017 -3.092 650 HE1 TYR 79 HE1 TYR 79 -4.552 -2.545 -3.928 651 HE2 TYR 79 HE2 TYR 79 -7.779 0.081 -4.796 652 HH TYR 79 HH TYR 79 -4.991 -1.212 -6.018 653 H GLY 80 H GLY 80 -7.179 -5.112 -0.753 654 1HA GLY 80 1HA GLY 80 -6.706 -7.615 -1.628 655 2HA GLY 80 2HA GLY 80 -5.993 -6.568 -2.858 656 H THR 81 H THR 81 -4.048 -7.769 -1.868 657 HA THR 81 HA THR 81 -3.018 -6.259 0.444 658 HB THR 81 HB THR 81 -2.173 -9.037 -0.396 659 HG1 THR 81 HG1 THR 81 -4.481 -8.650 0.319 660 1HG2 THR 81 1HG2 THR 81 -0.618 -7.806 1.056 661 2HG2 THR 81 2HG2 THR 81 -1.345 -9.165 1.914 662 3HG2 THR 81 3HG2 THR 81 -1.921 -7.525 2.210 663 H ALA 82 H ALA 82 -0.634 -5.927 0.399 664 HA ALA 82 HA ALA 82 0.392 -5.589 -2.336 665 1HB ALA 82 1HB ALA 82 1.615 -3.708 -1.488 666 2HB ALA 82 2HB ALA 82 1.035 -4.030 0.140 667 3HB ALA 82 3HB ALA 82 -0.095 -3.508 -1.101 668 H VAL 83 H VAL 83 2.144 -6.769 -2.800 669 HA VAL 83 HA VAL 83 3.895 -7.614 -0.601 670 HB VAL 83 HB VAL 83 3.780 -8.684 -3.458 671 1HG1 VAL 83 1HG1 VAL 83 5.167 -9.757 -1.011 672 2HG1 VAL 83 2HG1 VAL 83 5.934 -8.957 -2.378 673 3HG1 VAL 83 3HG1 VAL 83 5.152 -10.521 -2.600 674 1HG2 VAL 83 1HG2 VAL 83 2.695 -10.705 -2.567 675 2HG2 VAL 83 2HG2 VAL 83 1.694 -9.273 -2.332 676 3HG2 VAL 83 3HG2 VAL 83 2.599 -9.945 -0.977 677 H VAL 84 H VAL 84 5.412 -6.157 -0.440 678 HA VAL 84 HA VAL 84 6.206 -4.726 -2.888 679 HB VAL 84 HB VAL 84 6.655 -2.758 -1.457 680 1HG1 VAL 84 1HG1 VAL 84 4.467 -2.988 -2.417 681 2HG1 VAL 84 2HG1 VAL 84 4.403 -2.216 -0.832 682 3HG1 VAL 84 3HG1 VAL 84 3.938 -3.910 -1.011 683 1HG2 VAL 84 1HG2 VAL 84 6.037 -2.779 0.900 684 2HG2 VAL 84 2HG2 VAL 84 7.300 -3.973 0.586 685 3HG2 VAL 84 3HG2 VAL 84 5.623 -4.490 0.771 686 H GLU 85 H GLU 85 8.341 -4.555 -3.381 687 HA GLU 85 HA GLU 85 10.283 -5.430 -1.386 688 1HB GLU 85 1HB GLU 85 9.989 -7.259 -3.018 689 2HB GLU 85 2HB GLU 85 10.349 -6.143 -4.334 690 1HG GLU 85 1HG GLU 85 12.580 -5.746 -3.268 691 2HG GLU 85 2HG GLU 85 12.193 -7.038 -2.136 692 H LEU 86 H LEU 86 11.338 -3.609 -0.977 693 HA LEU 86 HA LEU 86 11.731 -1.684 -3.125 694 1HB LEU 86 1HB LEU 86 10.863 -1.010 -0.880 695 2HB LEU 86 2HB LEU 86 12.393 -1.490 -0.181 696 HG LEU 86 HG LEU 86 13.465 0.240 -1.680 697 1HD1 LEU 86 1HD1 LEU 86 10.627 1.139 -2.020 698 2HD1 LEU 86 2HD1 LEU 86 11.699 0.514 -3.269 699 3HD1 LEU 86 3HD1 LEU 86 12.066 2.050 -2.485 700 1HD2 LEU 86 1HD2 LEU 86 11.516 1.155 0.434 701 2HD2 LEU 86 2HD2 LEU 86 12.873 2.097 -0.178 702 3HD2 LEU 86 3HD2 LEU 86 13.169 0.602 0.710 703 HA PRO 87 HA PRO 87 16.016 -3.254 -3.275 704 1HB PRO 87 1HB PRO 87 16.844 -1.955 -5.454 705 2HB PRO 87 2HB PRO 87 15.638 -3.242 -5.587 706 1HG PRO 87 1HG PRO 87 15.260 -0.282 -5.632 707 2HG PRO 87 2HG PRO 87 14.459 -1.531 -6.601 708 1HD PRO 87 1HD PRO 87 13.398 -0.326 -4.324 709 2HD PRO 87 2HD PRO 87 12.855 -1.868 -5.013 710 H VAL 88 H VAL 88 14.969 -0.603 -2.063 711 HA VAL 88 HA VAL 88 17.550 0.768 -1.778 712 HB VAL 88 HB VAL 88 14.803 1.970 -1.264 713 1HG1 VAL 88 1HG1 VAL 88 15.941 4.132 -1.376 714 2HG1 VAL 88 2HG1 VAL 88 17.479 3.302 -1.611 715 3HG1 VAL 88 3HG1 VAL 88 16.590 3.099 -0.103 716 1HG2 VAL 88 1HG2 VAL 88 14.910 1.422 -3.635 717 2HG2 VAL 88 2HG2 VAL 88 16.448 2.270 -3.782 718 3HG2 VAL 88 3HG2 VAL 88 14.977 3.168 -3.404 719 H ASP 89 H ASP 89 17.835 1.550 0.450 720 HA ASP 89 HA ASP 89 17.253 -0.417 2.393 721 1HB ASP 89 1HB ASP 89 19.250 0.979 2.439 722 2HB ASP 89 2HB ASP 89 18.285 2.421 2.682 723 HA PRO 90 HA PRO 90 13.191 0.674 3.879 724 1HB PRO 90 1HB PRO 90 13.635 0.351 6.619 725 2HB PRO 90 2HB PRO 90 13.151 -0.919 5.494 726 1HG PRO 90 1HG PRO 90 15.873 -0.219 6.507 727 2HG PRO 90 2HG PRO 90 15.166 -1.817 6.205 728 1HD PRO 90 1HD PRO 90 16.910 -0.756 4.502 729 2HD PRO 90 2HD PRO 90 15.506 -1.665 3.904 730 H GLU 91 H GLU 91 16.008 2.432 4.911 731 HA GLU 91 HA GLU 91 14.875 4.420 6.541 732 1HB GLU 91 1HB GLU 91 16.785 5.821 5.873 733 2HB GLU 91 2HB GLU 91 17.298 4.187 6.273 734 1HG GLU 91 1HG GLU 91 17.436 3.625 3.942 735 2HG GLU 91 2HG GLU 91 16.844 5.211 3.479 736 H GLU 92 H GLU 92 14.585 3.832 3.169 737 HA GLU 92 HA GLU 92 13.918 6.424 2.267 738 1HB GLU 92 1HB GLU 92 14.382 4.276 0.881 739 2HB GLU 92 2HB GLU 92 12.689 3.903 1.191 740 1HG GLU 92 1HG GLU 92 12.908 4.932 -0.975 741 2HG GLU 92 2HG GLU 92 12.039 6.011 0.117 742 H ILE 93 H ILE 93 12.220 3.946 3.963 743 HA ILE 93 HA ILE 93 9.586 4.904 3.582 744 HB ILE 93 HB ILE 93 10.744 3.114 5.711 745 1HG1 ILE 93 1HG1 ILE 93 10.996 2.179 3.494 746 2HG1 ILE 93 2HG1 ILE 93 9.768 1.318 4.416 747 1HG2 ILE 93 1HG2 ILE 93 8.450 2.386 6.162 748 2HG2 ILE 93 2HG2 ILE 93 7.845 3.572 5.007 749 3HG2 ILE 93 3HG2 ILE 93 8.645 4.110 6.481 750 1HD1 ILE 93 1HD1 ILE 93 8.013 2.500 3.164 751 2HD1 ILE 93 2HD1 ILE 93 9.084 1.604 2.092 752 3HD1 ILE 93 3HD1 ILE 93 9.250 3.350 2.234 753 H GLU 94 H GLU 94 12.183 5.567 5.831 754 HA GLU 94 HA GLU 94 10.677 6.859 7.844 755 1HB GLU 94 1HB GLU 94 13.020 6.099 8.124 756 2HB GLU 94 2HB GLU 94 13.540 7.346 7.001 757 1HG GLU 94 1HG GLU 94 12.728 9.057 8.561 758 2HG GLU 94 2HG GLU 94 12.269 7.782 9.692 759 H ARG 95 H ARG 95 12.205 7.963 4.904 760 HA ARG 95 HA ARG 95 11.681 10.749 5.063 761 1HB ARG 95 1HB ARG 95 13.214 9.688 3.400 762 2HB ARG 95 2HB ARG 95 11.820 8.960 2.615 763 1HG ARG 95 1HG ARG 95 11.022 11.471 2.483 764 2HG ARG 95 2HG ARG 95 12.754 11.781 2.597 765 1HD ARG 95 1HD ARG 95 11.351 10.066 0.559 766 2HD ARG 95 2HD ARG 95 12.040 11.649 0.252 767 HE ARG 95 HE ARG 95 13.507 9.133 0.714 768 1HH1 ARG 95 1HH1 ARG 95 13.679 12.562 -0.233 769 2HH1 ARG 95 2HH1 ARG 95 15.146 12.357 -1.066 770 1HH2 ARG 95 1HH2 ARG 95 15.418 8.896 -0.413 771 2HH2 ARG 95 2HH2 ARG 95 16.181 10.243 -1.181 772 H ILE 96 H ILE 96 10.025 8.041 3.580 773 HA ILE 96 HA ILE 96 7.810 9.499 2.592 774 HB ILE 96 HB ILE 96 8.335 6.521 2.918 775 1HG1 ILE 96 1HG1 ILE 96 8.475 8.299 0.478 776 2HG1 ILE 96 2HG1 ILE 96 9.853 7.727 1.408 777 1HG2 ILE 96 1HG2 ILE 96 5.932 6.930 2.796 778 2HG2 ILE 96 2HG2 ILE 96 6.502 6.171 1.304 779 3HG2 ILE 96 3HG2 ILE 96 6.147 7.902 1.341 780 1HD1 ILE 96 1HD1 ILE 96 9.303 5.423 0.795 781 2HD1 ILE 96 2HD1 ILE 96 9.554 6.434 -0.627 782 3HD1 ILE 96 3HD1 ILE 96 7.917 6.004 -0.128 783 H LEU 97 H LEU 97 8.544 8.179 5.630 784 HA LEU 97 HA LEU 97 5.890 7.986 6.695 785 1HB LEU 97 1HB LEU 97 7.724 6.682 7.641 786 2HB LEU 97 2HB LEU 97 8.604 8.143 8.015 787 HG LEU 97 HG LEU 97 6.851 8.729 9.678 788 1HD1 LEU 97 1HD1 LEU 97 5.794 5.975 9.083 789 2HD1 LEU 97 2HD1 LEU 97 4.975 7.503 8.758 790 3HD1 LEU 97 3HD1 LEU 97 5.285 7.006 10.419 791 1HD2 LEU 97 1HD2 LEU 97 8.905 7.640 10.372 792 2HD2 LEU 97 2HD2 LEU 97 8.189 6.057 10.061 793 3HD2 LEU 97 3HD2 LEU 97 7.546 7.078 11.348 794 H GLU 98 H GLU 98 8.279 10.464 6.314 795 HA GLU 98 HA GLU 98 7.039 12.367 8.128 796 1HB GLU 98 1HB GLU 98 9.507 12.270 7.300 797 2HB GLU 98 2HB GLU 98 8.829 12.903 5.816 798 1HG GLU 98 1HG GLU 98 8.143 14.928 6.813 799 2HG GLU 98 2HG GLU 98 8.464 14.315 8.434 800 H VAL 99 H VAL 99 7.040 11.597 4.807 801 HA VAL 99 HA VAL 99 5.251 13.613 3.920 802 HB VAL 99 HB VAL 99 5.892 10.832 3.012 803 1HG1 VAL 99 1HG1 VAL 99 3.646 11.526 2.132 804 2HG1 VAL 99 2HG1 VAL 99 4.810 11.490 0.805 805 3HG1 VAL 99 3HG1 VAL 99 4.346 13.029 1.530 806 1HG2 VAL 99 1HG2 VAL 99 7.772 12.297 2.829 807 2HG2 VAL 99 2HG2 VAL 99 6.817 13.490 1.949 808 3HG2 VAL 99 3HG2 VAL 99 7.180 11.932 1.210 809 H ALA 100 H ALA 100 4.688 10.258 4.476 810 HA ALA 100 HA ALA 100 3.140 9.072 5.256 811 1HB ALA 100 1HB ALA 100 2.413 11.367 7.044 812 2HB ALA 100 2HB ALA 100 3.651 10.150 7.359 813 3HB ALA 100 3HB ALA 100 1.949 9.689 7.305 814 H GLU 101 H GLU 101 1.747 12.178 4.974 815 HA GLU 101 HA GLU 101 -0.492 11.089 3.442 816 1HB GLU 101 1HB GLU 101 -0.715 12.762 5.884 817 2HB GLU 101 2HB GLU 101 -1.949 12.978 4.663 818 1HG GLU 101 1HG GLU 101 -2.389 10.538 4.870 819 2HG GLU 101 2HG GLU 101 -1.207 10.493 6.182 820 HA PRO 102 HA PRO 102 -0.053 15.206 1.518 821 1HB PRO 102 1HB PRO 102 0.792 17.433 2.740 822 2HB PRO 102 2HB PRO 102 -0.837 16.774 2.975 823 1HG PRO 102 1HG PRO 102 1.462 16.795 4.823 824 2HG PRO 102 2HG PRO 102 -0.268 16.700 5.177 825 1HD PRO 102 1HD PRO 102 1.615 14.534 5.074 826 2HD PRO 102 2HD PRO 102 -0.131 14.485 5.373 Start of MODEL 5 1 H HIS 1 H HIS 1 3.737 6.280 -12.933 2 HA HIS 1 HA HIS 1 1.166 6.300 -11.529 3 1HB HIS 1 1HB HIS 1 3.104 4.009 -11.982 4 2HB HIS 1 2HB HIS 1 1.700 3.957 -10.924 5 HD1 HIS 1 HD1 HIS 1 2.715 3.329 -14.389 6 HD2 HIS 1 HD2 HIS 1 -0.795 4.233 -12.344 7 HE1 HIS 1 HE1 HIS 1 0.832 2.867 -15.979 8 H MET 2 H MET 2 1.678 7.756 -10.040 9 HA MET 2 HA MET 2 3.466 6.923 -7.956 10 1HB MET 2 1HB MET 2 3.726 9.616 -9.323 11 2HB MET 2 2HB MET 2 4.450 9.210 -7.778 12 1HG MET 2 1HG MET 2 5.854 7.539 -8.878 13 2HG MET 2 2HG MET 2 5.114 7.939 -10.424 14 1HE MET 2 1HE MET 2 6.321 11.656 -10.931 15 2HE MET 2 2HE MET 2 4.847 11.171 -10.105 16 3HE MET 2 3HE MET 2 5.341 10.345 -11.586 17 H THR 3 H THR 3 2.433 7.313 -6.115 18 HA THR 3 HA THR 3 0.092 9.087 -6.174 19 HB THR 3 HB THR 3 0.777 6.739 -4.387 20 HG1 THR 3 HG1 THR 3 -1.132 5.889 -5.346 21 1HG2 THR 3 1HG2 THR 3 -0.418 8.452 -3.080 22 2HG2 THR 3 2HG2 THR 3 -1.430 7.034 -3.349 23 3HG2 THR 3 3HG2 THR 3 -1.693 8.495 -4.298 24 H PHE 4 H PHE 4 0.585 11.082 -5.375 25 HA PHE 4 HA PHE 4 2.085 11.071 -2.888 26 1HB PHE 4 1HB PHE 4 2.342 13.166 -5.063 27 2HB PHE 4 2HB PHE 4 3.111 13.262 -3.484 28 HD1 PHE 4 HD1 PHE 4 3.529 12.320 -6.798 29 HD2 PHE 4 HD2 PHE 4 4.542 11.165 -2.848 30 HE1 PHE 4 HE1 PHE 4 5.410 11.018 -7.661 31 HE2 PHE 4 HE2 PHE 4 6.428 9.854 -3.713 32 HZ PHE 4 HZ PHE 4 6.846 9.769 -6.114 33 H CYS 5 H CYS 5 -0.820 11.431 -3.948 34 HA CYS 5 HA CYS 5 -1.472 13.568 -2.058 35 1HB CYS 5 1HB CYS 5 -2.842 13.048 -4.717 36 2HB CYS 5 2HB CYS 5 -3.308 14.271 -3.548 37 HG CYS 5 HG CYS 5 -0.398 15.182 -3.928 38 H LEU 6 H LEU 6 -2.403 12.452 -0.383 39 HA LEU 6 HA LEU 6 -3.534 9.939 -0.986 40 1HB LEU 6 1HB LEU 6 -3.595 9.374 1.320 41 2HB LEU 6 2HB LEU 6 -2.126 10.250 1.051 42 HG LEU 6 HG LEU 6 -2.824 10.799 3.138 43 1HD1 LEU 6 1HD1 LEU 6 -2.121 12.771 1.984 44 2HD1 LEU 6 2HD1 LEU 6 -3.306 13.146 3.226 45 3HD1 LEU 6 3HD1 LEU 6 -3.791 13.130 1.530 46 1HD2 LEU 6 1HD2 LEU 6 -5.057 9.949 3.191 47 2HD2 LEU 6 2HD2 LEU 6 -5.631 11.247 2.146 48 3HD2 LEU 6 3HD2 LEU 6 -5.096 11.611 3.784 49 H GLU 7 H GLU 7 -4.627 13.068 -0.011 50 HA GLU 7 HA GLU 7 -7.301 12.385 0.640 51 1HB GLU 7 1HB GLU 7 -6.511 14.221 1.752 52 2HB GLU 7 2HB GLU 7 -5.690 14.910 0.394 53 1HG GLU 7 1HG GLU 7 -7.473 16.367 0.924 54 2HG GLU 7 2HG GLU 7 -8.012 15.455 -0.489 55 H THR 8 H THR 8 -5.632 12.929 -2.281 56 HA THR 8 HA THR 8 -7.895 13.692 -3.774 57 HB THR 8 HB THR 8 -5.342 12.394 -4.727 58 HG1 THR 8 HG1 THR 8 -5.946 15.135 -4.823 59 1HG2 THR 8 1HG2 THR 8 -7.160 12.419 -6.409 60 2HG2 THR 8 2HG2 THR 8 -5.845 13.502 -6.863 61 3HG2 THR 8 3HG2 THR 8 -7.331 14.161 -6.181 62 H TYR 9 H TYR 9 -6.452 10.657 -2.726 63 HA TYR 9 HA TYR 9 -8.013 9.048 -4.441 64 1HB TYR 9 1HB TYR 9 -6.220 8.503 -2.131 65 2HB TYR 9 2HB TYR 9 -7.405 7.267 -2.532 66 HD1 TYR 9 HD1 TYR 9 -4.632 9.289 -3.962 67 HD2 TYR 9 HD2 TYR 9 -7.049 5.810 -4.330 68 HE1 TYR 9 HE1 TYR 9 -3.210 8.485 -5.806 69 HE2 TYR 9 HE2 TYR 9 -5.624 5.004 -6.158 70 HH TYR 9 HH TYR 9 -2.629 6.345 -6.852 71 H LEU 10 H LEU 10 -8.408 10.477 -1.371 72 HA LEU 10 HA LEU 10 -10.641 9.101 -0.405 73 1HB LEU 10 1HB LEU 10 -9.148 11.031 0.728 74 2HB LEU 10 2HB LEU 10 -10.198 12.056 -0.148 75 HG LEU 10 HG LEU 10 -11.426 10.144 1.805 76 1HD1 LEU 10 1HD1 LEU 10 -10.299 12.877 2.377 77 2HD1 LEU 10 2HD1 LEU 10 -9.671 11.350 2.991 78 3HD1 LEU 10 3HD1 LEU 10 -11.271 11.908 3.484 79 1HD2 LEU 10 1HD2 LEU 10 -12.213 12.879 0.789 80 2HD2 LEU 10 2HD2 LEU 10 -13.144 11.887 1.913 81 3HD2 LEU 10 3HD2 LEU 10 -12.903 11.352 0.249 82 H GLN 11 H GLN 11 -10.207 11.846 -2.516 83 HA GLN 11 HA GLN 11 -12.976 12.370 -2.998 84 1HB GLN 11 1HB GLN 11 -10.437 13.428 -4.177 85 2HB GLN 11 2HB GLN 11 -12.022 14.084 -4.555 86 1HG GLN 11 1HG GLN 11 -12.346 14.595 -2.176 87 2HG GLN 11 2HG GLN 11 -10.760 13.925 -1.825 88 1HE2 GLN 11 1HE2 GLN 11 -10.041 15.762 -0.985 89 2HE2 GLN 11 2HE2 GLN 11 -9.652 17.177 -1.900 90 H GLN 12 H GLN 12 -10.734 10.230 -4.300 91 HA GLN 12 HA GLN 12 -12.046 10.132 -6.864 92 1HB GLN 12 1HB GLN 12 -9.746 8.546 -5.745 93 2HB GLN 12 2HB GLN 12 -10.460 8.204 -7.312 94 1HG GLN 12 1HG GLN 12 -9.928 10.520 -8.009 95 2HG GLN 12 2HG GLN 12 -9.127 10.757 -6.462 96 1HE2 GLN 12 1HE2 GLN 12 -9.031 9.096 -9.474 97 2HE2 GLN 12 2HE2 GLN 12 -7.369 8.632 -9.423 98 H SER 13 H SER 13 -11.984 8.373 -3.858 99 HA SER 13 HA SER 13 -14.406 7.067 -4.523 100 1HB SER 13 1HB SER 13 -12.774 5.649 -5.775 101 2HB SER 13 2HB SER 13 -11.944 5.321 -4.257 102 HG SER 13 HG SER 13 -14.693 4.806 -4.376 103 H GLY 14 H GLY 14 -11.583 6.360 -2.491 104 1HA GLY 14 1HA GLY 14 -12.849 7.228 -0.117 105 2HA GLY 14 2HA GLY 14 -12.852 5.468 -0.271 106 H GLU 15 H GLU 15 -11.456 6.666 1.752 107 HA GLU 15 HA GLU 15 -8.782 7.157 1.066 108 1HB GLU 15 1HB GLU 15 -9.805 6.253 3.758 109 2HB GLU 15 2HB GLU 15 -8.282 7.062 3.433 110 1HG GLU 15 1HG GLU 15 -9.484 8.826 4.188 111 2HG GLU 15 2HG GLU 15 -9.903 8.918 2.485 112 H TYR 16 H TYR 16 -7.038 5.949 1.061 113 HA TYR 16 HA TYR 16 -7.143 3.099 1.714 114 1HB TYR 16 1HB TYR 16 -7.555 3.278 -0.670 115 2HB TYR 16 2HB TYR 16 -6.261 4.438 -0.861 116 HD1 TYR 16 HD1 TYR 16 -4.323 3.700 -1.797 117 HD2 TYR 16 HD2 TYR 16 -6.757 0.887 0.260 118 HE1 TYR 16 HE1 TYR 16 -2.821 1.905 -2.494 119 HE2 TYR 16 HE2 TYR 16 -5.241 -0.929 -0.440 120 HH TYR 16 HH TYR 16 -2.187 -0.294 -1.901 121 H GLU 17 H GLU 17 -6.101 5.876 2.580 122 HA GLU 17 HA GLU 17 -3.487 5.183 3.348 123 1HB GLU 17 1HB GLU 17 -4.057 7.514 1.505 124 2HB GLU 17 2HB GLU 17 -2.544 7.358 2.381 125 1HG GLU 17 1HG GLU 17 -2.110 5.269 1.108 126 2HG GLU 17 2HG GLU 17 -3.613 5.535 0.231 127 H ILE 18 H ILE 18 -2.967 6.545 5.116 128 HA ILE 18 HA ILE 18 -5.228 8.002 6.194 129 HB ILE 18 HB ILE 18 -4.159 6.413 7.731 130 1HG1 ILE 18 1HG1 ILE 18 -3.721 9.263 8.648 131 2HG1 ILE 18 2HG1 ILE 18 -5.228 8.362 8.748 132 1HG2 ILE 18 1HG2 ILE 18 -1.933 6.353 6.991 133 2HG2 ILE 18 2HG2 ILE 18 -1.920 6.892 8.676 134 3HG2 ILE 18 3HG2 ILE 18 -1.694 8.059 7.382 135 1HD1 ILE 18 1HD1 ILE 18 -2.676 7.692 10.198 136 2HD1 ILE 18 2HD1 ILE 18 -4.201 6.811 10.320 137 3HD1 ILE 18 3HD1 ILE 18 -4.094 8.477 10.892 138 H HIS 19 H HIS 19 -4.872 10.238 7.196 139 HA HIS 19 HA HIS 19 -3.607 11.887 5.239 140 1HB HIS 19 1HB HIS 19 -5.689 12.602 6.411 141 2HB HIS 19 2HB HIS 19 -4.781 12.723 7.913 142 HD1 HIS 19 HD1 HIS 19 -4.017 15.066 8.410 143 HD2 HIS 19 HD2 HIS 19 -4.505 14.392 4.345 144 HE1 HIS 19 HE1 HIS 19 -3.515 17.249 7.277 145 H MET 20 H MET 20 -1.723 10.813 5.549 146 HA MET 20 HA MET 20 0.211 12.215 7.254 147 1HB MET 20 1HB MET 20 -0.104 9.287 6.707 148 2HB MET 20 2HB MET 20 1.430 9.902 7.324 149 1HG MET 20 1HG MET 20 -1.287 9.871 8.631 150 2HG MET 20 2HG MET 20 0.130 8.937 9.098 151 1HE MET 20 1HE MET 20 -0.403 11.320 12.135 152 2HE MET 20 2HE MET 20 -0.203 9.652 11.603 153 3HE MET 20 3HE MET 20 -1.644 10.557 11.138 154 H LYS 21 H LYS 21 2.574 11.252 6.049 155 HA LYS 21 HA LYS 21 2.127 12.356 3.406 156 1HB LYS 21 1HB LYS 21 4.731 11.665 4.760 157 2HB LYS 21 2HB LYS 21 4.594 12.365 3.157 158 1HG LYS 21 1HG LYS 21 3.301 14.256 4.336 159 2HG LYS 21 2HG LYS 21 4.015 13.603 5.811 160 1HD LYS 21 1HD LYS 21 6.248 13.797 4.785 161 2HD LYS 21 2HD LYS 21 5.508 14.545 3.368 162 1HE LYS 21 1HE LYS 21 6.402 16.253 4.794 163 2HE LYS 21 2HE LYS 21 4.638 16.327 4.839 164 1HZ LYS 21 1HZ LYS 21 5.690 16.530 7.033 165 2HZ LYS 21 2HZ LYS 21 6.309 14.957 6.852 166 3HZ LYS 21 3HZ LYS 21 4.641 15.213 6.932 167 H ARG 22 H ARG 22 1.813 11.224 1.707 168 HA ARG 22 HA ARG 22 2.533 8.419 1.821 169 1HB ARG 22 1HB ARG 22 0.538 7.963 0.627 170 2HB ARG 22 2HB ARG 22 0.126 9.232 1.723 171 1HG ARG 22 1HG ARG 22 0.586 9.508 -1.218 172 2HG ARG 22 2HG ARG 22 -0.945 9.621 -0.380 173 1HD ARG 22 1HD ARG 22 1.376 11.534 -0.348 174 2HD ARG 22 2HD ARG 22 -0.232 11.812 -0.976 175 HE ARG 22 HE ARG 22 -0.347 11.339 1.798 176 1HH1 ARG 22 1HH1 ARG 22 0.566 13.831 -0.614 177 2HH1 ARG 22 2HH1 ARG 22 0.555 15.098 0.499 178 1HH2 ARG 22 1HH2 ARG 22 -0.311 13.166 3.324 179 2HH2 ARG 22 2HH2 ARG 22 0.016 14.742 2.759 180 H ALA 23 H ALA 23 3.845 7.592 0.269 181 HA ALA 23 HA ALA 23 4.230 9.110 -2.150 182 1HB ALA 23 1HB ALA 23 6.458 8.222 -0.309 183 2HB ALA 23 2HB ALA 23 6.049 9.879 -0.748 184 3HB ALA 23 3HB ALA 23 6.695 8.775 -1.963 185 H GLY 24 H GLY 24 3.258 7.640 -3.322 186 1HA GLY 24 1HA GLY 24 4.218 4.907 -3.021 187 2HA GLY 24 2HA GLY 24 2.559 5.314 -3.511 188 H PHE 25 H PHE 25 5.924 5.118 -4.497 189 HA PHE 25 HA PHE 25 5.435 6.012 -7.149 190 1HB PHE 25 1HB PHE 25 7.760 4.411 -6.046 191 2HB PHE 25 2HB PHE 25 7.697 5.070 -7.670 192 HD1 PHE 25 HD1 PHE 25 7.949 5.903 -4.092 193 HD2 PHE 25 HD2 PHE 25 8.161 7.376 -8.076 194 HE1 PHE 25 HE1 PHE 25 8.978 7.985 -3.271 195 HE2 PHE 25 HE2 PHE 25 9.185 9.458 -7.250 196 HZ PHE 25 HZ PHE 25 9.585 9.755 -4.838 197 H ARG 26 H ARG 26 6.670 2.737 -6.470 198 HA ARG 26 HA ARG 26 5.378 1.903 -8.873 199 1HB ARG 26 1HB ARG 26 6.740 0.128 -6.869 200 2HB ARG 26 2HB ARG 26 6.249 -0.342 -8.488 201 1HG ARG 26 1HG ARG 26 7.741 1.630 -9.241 202 2HG ARG 26 2HG ARG 26 8.461 1.487 -7.641 203 1HD ARG 26 1HD ARG 26 9.815 0.144 -9.011 204 2HD ARG 26 2HD ARG 26 8.753 -1.000 -8.193 205 HE ARG 26 HE ARG 26 8.538 -0.106 -10.978 206 1HH1 ARG 26 1HH1 ARG 26 7.546 -2.425 -8.525 207 2HH1 ARG 26 2HH1 ARG 26 6.954 -3.569 -9.619 208 1HH2 ARG 26 1HH2 ARG 26 7.799 -1.666 -12.497 209 2HH2 ARG 26 2HH2 ARG 26 7.129 -3.145 -11.986 210 H GLU 27 H GLU 27 4.417 1.606 -5.487 211 HA GLU 27 HA GLU 27 2.537 -0.425 -6.060 212 1HB GLU 27 1HB GLU 27 3.548 -0.052 -3.820 213 2HB GLU 27 2HB GLU 27 2.732 1.498 -3.771 214 1HG GLU 27 1HG GLU 27 1.826 -0.492 -2.420 215 2HG GLU 27 2HG GLU 27 0.663 0.537 -3.267 216 H CYS 28 H CYS 28 2.634 2.936 -6.701 217 HA CYS 28 HA CYS 28 -0.045 3.568 -6.619 218 1HB CYS 28 1HB CYS 28 1.724 5.187 -7.143 219 2HB CYS 28 2HB CYS 28 1.935 4.431 -8.719 220 HG CYS 28 HG CYS 28 -0.541 6.363 -7.562 221 H ALA 29 H ALA 29 1.835 1.645 -8.881 222 HA ALA 29 HA ALA 29 -0.078 1.502 -10.976 223 1HB ALA 29 1HB ALA 29 2.221 -0.333 -10.362 224 2HB ALA 29 2HB ALA 29 2.315 1.108 -11.375 225 3HB ALA 29 3HB ALA 29 1.326 -0.263 -11.879 226 H ALA 30 H ALA 30 0.801 -0.538 -8.351 227 HA ALA 30 HA ALA 30 -0.952 -2.623 -8.891 228 1HB ALA 30 1HB ALA 30 0.101 -1.681 -6.301 229 2HB ALA 30 2HB ALA 30 1.004 -2.592 -7.489 230 3HB ALA 30 3HB ALA 30 -0.426 -3.312 -6.721 231 H MET 31 H MET 31 -1.253 0.189 -6.741 232 HA MET 31 HA MET 31 -3.617 -0.572 -5.545 233 1HB MET 31 1HB MET 31 -3.956 1.752 -4.837 234 2HB MET 31 2HB MET 31 -2.301 1.216 -4.609 235 1HG MET 31 1HG MET 31 -1.672 2.413 -6.657 236 2HG MET 31 2HG MET 31 -3.319 2.993 -6.807 237 1HE MET 31 1HE MET 31 -1.235 2.570 -3.424 238 2HE MET 31 2HE MET 31 -0.556 4.184 -3.264 239 3HE MET 31 3HE MET 31 -0.027 3.136 -4.574 240 H ILE 32 H ILE 32 -3.170 0.913 -8.639 241 HA ILE 32 HA ILE 32 -5.805 1.721 -9.145 242 HB ILE 32 HB ILE 32 -3.702 0.661 -11.052 243 1HG1 ILE 32 1HG1 ILE 32 -2.953 2.663 -9.890 244 2HG1 ILE 32 2HG1 ILE 32 -3.259 3.030 -11.580 245 1HG2 ILE 32 1HG2 ILE 32 -5.892 0.497 -12.090 246 2HG2 ILE 32 2HG2 ILE 32 -4.950 1.778 -12.851 247 3HG2 ILE 32 3HG2 ILE 32 -6.225 2.186 -11.703 248 1HD1 ILE 32 1HD1 ILE 32 -5.052 3.706 -9.253 249 2HD1 ILE 32 2HD1 ILE 32 -5.406 4.044 -10.946 250 3HD1 ILE 32 3HD1 ILE 32 -4.034 4.825 -10.161 251 H GLU 33 H GLU 33 -4.189 -1.365 -9.474 252 HA GLU 33 HA GLU 33 -6.453 -2.703 -10.656 253 1HB GLU 33 1HB GLU 33 -3.893 -3.850 -9.520 254 2HB GLU 33 2HB GLU 33 -5.045 -4.674 -10.563 255 1HG GLU 33 1HG GLU 33 -3.471 -2.250 -11.358 256 2HG GLU 33 2HG GLU 33 -3.035 -3.912 -11.748 257 H LYS 34 H LYS 34 -4.998 -2.332 -7.525 258 HA LYS 34 HA LYS 34 -6.385 -4.391 -6.142 259 1HB LYS 34 1HB LYS 34 -4.854 -1.974 -5.293 260 2HB LYS 34 2HB LYS 34 -5.631 -2.997 -4.104 261 1HG LYS 34 1HG LYS 34 -4.290 -4.791 -4.512 262 2HG LYS 34 2HG LYS 34 -3.870 -4.306 -6.154 263 1HD LYS 34 1HD LYS 34 -2.461 -2.530 -5.158 264 2HD LYS 34 2HD LYS 34 -2.855 -3.154 -3.553 265 1HE LYS 34 1HE LYS 34 -1.967 -5.365 -4.263 266 2HE LYS 34 2HE LYS 34 -1.477 -4.661 -5.786 267 1HZ LYS 34 1HZ LYS 34 -0.404 -3.973 -3.087 268 2HZ LYS 34 2HZ LYS 34 -0.115 -3.083 -4.414 269 3HZ LYS 34 3HZ LYS 34 0.451 -4.653 -4.374 270 H LYS 35 H LYS 35 -7.316 -1.438 -7.272 271 HA LYS 35 HA LYS 35 -9.266 -0.547 -5.473 272 1HB LYS 35 1HB LYS 35 -8.327 0.768 -7.268 273 2HB LYS 35 2HB LYS 35 -8.986 -0.329 -8.459 274 1HG LYS 35 1HG LYS 35 -11.260 0.328 -7.595 275 2HG LYS 35 2HG LYS 35 -10.430 1.603 -6.700 276 1HD LYS 35 1HD LYS 35 -9.466 2.448 -8.799 277 2HD LYS 35 2HD LYS 35 -10.317 1.188 -9.681 278 1HE LYS 35 1HE LYS 35 -11.527 3.271 -9.826 279 2HE LYS 35 2HE LYS 35 -12.438 2.065 -8.924 280 1HZ LYS 35 1HZ LYS 35 -10.838 4.255 -7.722 281 2HZ LYS 35 2HZ LYS 35 -11.719 3.083 -6.872 282 3HZ LYS 35 3HZ LYS 35 -12.530 4.206 -7.832 283 H ALA 36 H ALA 36 -9.242 -3.039 -7.936 284 HA ALA 36 HA ALA 36 -12.068 -3.254 -8.145 285 1HB ALA 36 1HB ALA 36 -10.611 -3.836 -10.019 286 2HB ALA 36 2HB ALA 36 -11.631 -5.200 -9.560 287 3HB ALA 36 3HB ALA 36 -9.933 -5.166 -9.082 288 H ARG 37 H ARG 37 -9.548 -5.188 -6.573 289 HA ARG 37 HA ARG 37 -11.346 -6.029 -4.518 290 1HB ARG 37 1HB ARG 37 -11.971 -7.697 -6.240 291 2HB ARG 37 2HB ARG 37 -10.272 -8.170 -6.340 292 1HG ARG 37 1HG ARG 37 -10.328 -8.824 -3.960 293 2HG ARG 37 2HG ARG 37 -12.050 -8.464 -3.923 294 1HD ARG 37 1HD ARG 37 -10.763 -10.482 -5.748 295 2HD ARG 37 2HD ARG 37 -11.494 -10.870 -4.196 296 HE ARG 37 HE ARG 37 -13.444 -9.556 -5.523 297 1HH1 ARG 37 1HH1 ARG 37 -11.452 -12.417 -6.267 298 2HH1 ARG 37 2HH1 ARG 37 -12.644 -13.199 -7.171 299 1HH2 ARG 37 1HH2 ARG 37 -15.115 -10.681 -6.784 300 2HH2 ARG 37 2HH2 ARG 37 -14.759 -12.190 -7.479 301 H ARG 38 H ARG 38 -8.520 -7.595 -5.973 302 HA ARG 38 HA ARG 38 -6.773 -6.643 -4.000 303 1HB ARG 38 1HB ARG 38 -7.957 -8.298 -2.642 304 2HB ARG 38 2HB ARG 38 -7.670 -9.531 -3.855 305 1HG ARG 38 1HG ARG 38 -5.260 -9.368 -3.435 306 2HG ARG 38 2HG ARG 38 -5.572 -8.171 -2.179 307 1HD ARG 38 1HD ARG 38 -5.269 -10.361 -1.185 308 2HD ARG 38 2HD ARG 38 -6.930 -9.823 -0.964 309 HE ARG 38 HE ARG 38 -6.305 -11.542 -3.227 310 1HH1 ARG 38 1HH1 ARG 38 -7.897 -11.179 -0.075 311 2HH1 ARG 38 2HH1 ARG 38 -8.664 -12.703 -0.141 312 1HH2 ARG 38 1HH2 ARG 38 -7.423 -13.607 -3.313 313 2HH2 ARG 38 2HH2 ARG 38 -8.378 -14.113 -2.002 314 H VAL 39 H VAL 39 -4.830 -6.678 -5.064 315 HA VAL 39 HA VAL 39 -4.313 -8.772 -7.046 316 HB VAL 39 HB VAL 39 -3.963 -5.775 -7.591 317 1HG1 VAL 39 1HG1 VAL 39 -3.322 -6.400 -9.886 318 2HG1 VAL 39 2HG1 VAL 39 -3.413 -8.104 -9.447 319 3HG1 VAL 39 3HG1 VAL 39 -2.194 -7.067 -8.704 320 1HG2 VAL 39 1HG2 VAL 39 -5.863 -7.750 -8.846 321 2HG2 VAL 39 2HG2 VAL 39 -5.664 -6.075 -9.353 322 3HG2 VAL 39 3HG2 VAL 39 -6.290 -6.443 -7.749 323 H VAL 40 H VAL 40 -1.883 -8.717 -7.647 324 HA VAL 40 HA VAL 40 -0.300 -7.985 -5.288 325 HB VAL 40 HB VAL 40 -0.454 -10.425 -5.599 326 1HG1 VAL 40 1HG1 VAL 40 -0.956 -10.525 -7.951 327 2HG1 VAL 40 2HG1 VAL 40 0.438 -11.541 -7.591 328 3HG1 VAL 40 3HG1 VAL 40 0.668 -9.967 -8.353 329 1HG2 VAL 40 1HG2 VAL 40 1.691 -9.573 -4.753 330 2HG2 VAL 40 2HG2 VAL 40 2.291 -9.434 -6.404 331 3HG2 VAL 40 3HG2 VAL 40 1.927 -11.022 -5.731 332 H HIS 41 H HIS 41 1.853 -7.061 -5.663 333 HA HIS 41 HA HIS 41 2.502 -6.420 -8.405 334 1HB HIS 41 1HB HIS 41 1.199 -4.545 -7.321 335 2HB HIS 41 2HB HIS 41 2.503 -4.384 -6.162 336 HD1 HIS 41 HD1 HIS 41 1.697 -3.641 -9.874 337 HD2 HIS 41 HD2 HIS 41 4.616 -2.782 -7.018 338 HE1 HIS 41 HE1 HIS 41 3.328 -2.122 -10.947 339 H ILE 42 H ILE 42 4.603 -6.746 -8.672 340 HA ILE 42 HA ILE 42 6.135 -7.476 -6.317 341 HB ILE 42 HB ILE 42 6.613 -8.078 -9.254 342 1HG1 ILE 42 1HG1 ILE 42 6.382 -10.521 -8.457 343 2HG1 ILE 42 2HG1 ILE 42 5.677 -9.854 -6.997 344 1HG2 ILE 42 1HG2 ILE 42 8.235 -8.976 -6.868 345 2HG2 ILE 42 2HG2 ILE 42 8.752 -7.852 -8.125 346 3HG2 ILE 42 3HG2 ILE 42 8.470 -9.547 -8.521 347 1HD1 ILE 42 1HD1 ILE 42 3.882 -8.856 -8.345 348 2HD1 ILE 42 2HD1 ILE 42 3.959 -10.606 -8.537 349 3HD1 ILE 42 3HD1 ILE 42 4.601 -9.553 -9.796 350 H LYS 43 H LYS 43 7.940 -6.408 -5.803 351 HA LYS 43 HA LYS 43 9.500 -4.795 -5.644 352 1HB LYS 43 1HB LYS 43 8.948 -4.130 -8.556 353 2HB LYS 43 2HB LYS 43 10.228 -3.434 -7.592 354 1HG LYS 43 1HG LYS 43 11.300 -5.610 -7.444 355 2HG LYS 43 2HG LYS 43 9.990 -6.317 -8.401 356 1HD LYS 43 1HD LYS 43 10.514 -4.743 -10.221 357 2HD LYS 43 2HD LYS 43 11.871 -4.138 -9.278 358 1HE LYS 43 1HE LYS 43 12.917 -6.316 -9.316 359 2HE LYS 43 2HE LYS 43 11.537 -6.990 -10.183 360 1HZ LYS 43 1HZ LYS 43 12.034 -5.543 -12.039 361 2HZ LYS 43 2HZ LYS 43 13.368 -6.489 -11.676 362 3HZ LYS 43 3HZ LYS 43 13.342 -4.865 -11.221 363 HA PRO 44 HA PRO 44 6.040 -1.700 -5.465 364 1HB PRO 44 1HB PRO 44 5.347 -1.858 -2.859 365 2HB PRO 44 2HB PRO 44 4.669 -2.957 -4.068 366 1HG PRO 44 1HG PRO 44 6.925 -3.435 -2.161 367 2HG PRO 44 2HG PRO 44 5.571 -4.504 -2.556 368 1HD PRO 44 1HD PRO 44 8.019 -4.758 -3.653 369 2HD PRO 44 2HD PRO 44 6.525 -5.213 -4.494 370 H GLY 45 H GLY 45 6.606 0.348 -5.036 371 1HA GLY 45 1HA GLY 45 8.975 0.797 -3.336 372 2HA GLY 45 2HA GLY 45 8.817 1.563 -4.918 373 H GLU 46 H GLU 46 6.438 0.996 -2.400 374 HA GLU 46 HA GLU 46 5.956 3.868 -2.354 375 1HB GLU 46 1HB GLU 46 3.685 3.280 -2.367 376 2HB GLU 46 2HB GLU 46 4.424 1.894 -3.042 377 1HG GLU 46 1HG GLU 46 3.765 2.014 -0.121 378 2HG GLU 46 2HG GLU 46 2.695 1.355 -1.347 379 H LYS 47 H LYS 47 5.609 4.799 -0.398 380 HA LYS 47 HA LYS 47 5.857 3.271 2.017 381 1HB LYS 47 1HB LYS 47 7.055 5.770 2.428 382 2HB LYS 47 2HB LYS 47 7.808 4.239 2.850 383 1HG LYS 47 1HG LYS 47 9.371 5.203 1.446 384 2HG LYS 47 2HG LYS 47 8.403 4.296 0.270 385 1HD LYS 47 1HD LYS 47 6.960 6.394 0.201 386 2HD LYS 47 2HD LYS 47 8.344 7.164 0.968 387 1HE LYS 47 1HE LYS 47 8.485 5.625 -1.577 388 2HE LYS 47 2HE LYS 47 8.305 7.379 -1.484 389 1HZ LYS 47 1HZ LYS 47 10.622 6.800 -1.773 390 2HZ LYS 47 2HZ LYS 47 10.584 5.785 -0.435 391 3HZ LYS 47 3HZ LYS 47 10.379 7.466 -0.245 392 H ILE 48 H ILE 48 3.834 3.623 1.333 393 HA ILE 48 HA ILE 48 2.589 6.097 1.521 394 HB ILE 48 HB ILE 48 0.438 4.834 1.687 395 1HG1 ILE 48 1HG1 ILE 48 2.200 2.362 1.522 396 2HG1 ILE 48 2HG1 ILE 48 1.310 2.860 2.952 397 1HG2 ILE 48 1HG2 ILE 48 1.365 5.424 -0.465 398 2HG2 ILE 48 2HG2 ILE 48 0.580 3.847 -0.555 399 3HG2 ILE 48 3HG2 ILE 48 2.339 3.954 -0.474 400 1HD1 ILE 48 1HD1 ILE 48 -0.793 2.553 1.736 401 2HD1 ILE 48 2HD1 ILE 48 0.164 1.072 1.775 402 3HD1 ILE 48 3HD1 ILE 48 0.114 2.051 0.308 403 H LEU 49 H LEU 49 2.833 7.259 3.155 404 HA LEU 49 HA LEU 49 2.419 8.244 5.030 405 1HB LEU 49 1HB LEU 49 0.976 5.820 6.072 406 2HB LEU 49 2HB LEU 49 0.873 7.442 6.700 407 HG LEU 49 HG LEU 49 -1.087 7.379 5.598 408 1HD1 LEU 49 1HD1 LEU 49 -1.067 8.406 3.448 409 2HD1 LEU 49 2HD1 LEU 49 0.674 8.124 3.352 410 3HD1 LEU 49 3HD1 LEU 49 0.020 9.178 4.603 411 1HD2 LEU 49 1HD2 LEU 49 0.086 5.496 3.576 412 2HD2 LEU 49 2HD2 LEU 49 -1.587 6.054 3.586 413 3HD2 LEU 49 3HD2 LEU 49 -0.976 5.072 4.917 414 H GLY 50 H GLY 50 4.156 5.536 4.836 415 1HA GLY 50 1HA GLY 50 6.085 4.902 6.033 416 2HA GLY 50 2HA GLY 50 5.631 6.052 7.300 417 H ALA 51 H ALA 51 2.931 4.521 6.502 418 HA ALA 51 HA ALA 51 3.069 2.103 7.982 419 1HB ALA 51 1HB ALA 51 1.401 2.812 9.665 420 2HB ALA 51 2HB ALA 51 1.505 4.462 9.058 421 3HB ALA 51 3HB ALA 51 2.905 3.721 9.831 422 H ARG 52 H ARG 52 1.726 0.878 6.853 423 HA ARG 52 HA ARG 52 0.000 2.048 4.888 424 1HB ARG 52 1HB ARG 52 -0.610 -0.407 4.413 425 2HB ARG 52 2HB ARG 52 1.038 0.112 4.096 426 1HG ARG 52 1HG ARG 52 1.805 -0.901 6.139 427 2HG ARG 52 2HG ARG 52 0.152 -1.297 6.604 428 1HD ARG 52 1HD ARG 52 1.486 -2.335 4.120 429 2HD ARG 52 2HD ARG 52 1.510 -3.183 5.668 430 HE ARG 52 HE ARG 52 -1.065 -2.442 4.495 431 1HH1 ARG 52 1HH1 ARG 52 1.274 -4.956 5.295 432 2HH1 ARG 52 2HH1 ARG 52 0.196 -6.233 5.239 433 1HH2 ARG 52 1HH2 ARG 52 -2.614 -4.197 4.384 434 2HH2 ARG 52 2HH2 ARG 52 -2.096 -5.800 4.711 435 H ILE 53 H ILE 53 -1.558 3.183 5.979 436 HA ILE 53 HA ILE 53 -3.506 1.584 7.477 437 HB ILE 53 HB ILE 53 -2.963 4.558 7.625 438 1HG1 ILE 53 1HG1 ILE 53 -2.259 2.394 9.637 439 2HG1 ILE 53 2HG1 ILE 53 -1.110 3.153 8.548 440 1HG2 ILE 53 1HG2 ILE 53 -4.738 2.773 9.320 441 2HG2 ILE 53 2HG2 ILE 53 -5.283 3.992 8.167 442 3HG2 ILE 53 3HG2 ILE 53 -4.429 4.482 9.632 443 1HD1 ILE 53 1HD1 ILE 53 -2.677 4.604 10.671 444 2HD1 ILE 53 2HD1 ILE 53 -1.377 5.261 9.666 445 3HD1 ILE 53 3HD1 ILE 53 -1.029 4.012 10.852 446 H ILE 54 H ILE 54 -5.499 1.511 6.574 447 HA ILE 54 HA ILE 54 -5.964 2.639 3.982 448 HB ILE 54 HB ILE 54 -7.891 1.290 5.907 449 1HG1 ILE 54 1HG1 ILE 54 -6.039 -0.204 5.360 450 2HG1 ILE 54 2HG1 ILE 54 -7.517 -0.764 4.594 451 1HG2 ILE 54 1HG2 ILE 54 -8.178 1.725 2.939 452 2HG2 ILE 54 2HG2 ILE 54 -9.065 2.575 4.200 453 3HG2 ILE 54 3HG2 ILE 54 -9.305 0.842 3.971 454 1HD1 ILE 54 1HD1 ILE 54 -5.261 0.717 3.248 455 2HD1 ILE 54 2HD1 ILE 54 -6.749 0.192 2.463 456 3HD1 ILE 54 3HD1 ILE 54 -5.622 -1.003 3.104 457 H GLY 55 H GLY 55 -7.046 3.340 7.237 458 1HA GLY 55 1HA GLY 55 -7.568 5.512 8.011 459 2HA GLY 55 2HA GLY 55 -7.835 6.017 6.348 460 H ILE 56 H ILE 56 -9.233 3.135 6.659 461 HA ILE 56 HA ILE 56 -11.839 4.168 7.508 462 HB ILE 56 HB ILE 56 -11.329 2.237 5.227 463 1HG1 ILE 56 1HG1 ILE 56 -12.147 5.150 5.054 464 2HG1 ILE 56 2HG1 ILE 56 -10.591 4.485 4.584 465 1HG2 ILE 56 1HG2 ILE 56 -13.869 3.592 6.159 466 2HG2 ILE 56 2HG2 ILE 56 -13.467 1.887 6.351 467 3HG2 ILE 56 3HG2 ILE 56 -13.739 2.555 4.739 468 1HD1 ILE 56 1HD1 ILE 56 -11.683 3.188 2.829 469 2HD1 ILE 56 2HD1 ILE 56 -11.993 4.915 2.653 470 3HD1 ILE 56 3HD1 ILE 56 -13.241 3.855 3.313 471 HA PRO 57 HA PRO 57 -11.219 0.419 10.000 472 1HB PRO 57 1HB PRO 57 -14.108 0.631 10.530 473 2HB PRO 57 2HB PRO 57 -12.769 0.656 11.679 474 1HG PRO 57 1HG PRO 57 -14.188 2.861 11.119 475 2HG PRO 57 2HG PRO 57 -12.449 2.931 11.455 476 1HD PRO 57 1HD PRO 57 -13.885 3.066 8.834 477 2HD PRO 57 2HD PRO 57 -12.467 3.976 9.405 478 HA PRO 58 HA PRO 58 -13.300 -2.133 6.858 479 1HB PRO 58 1HB PRO 58 -11.202 -3.478 6.056 480 2HB PRO 58 2HB PRO 58 -11.283 -1.737 5.746 481 1HG PRO 58 1HG PRO 58 -9.615 -3.219 7.717 482 2HG PRO 58 2HG PRO 58 -9.277 -1.695 6.881 483 1HD PRO 58 1HD PRO 58 -10.389 -2.061 9.519 484 2HD PRO 58 2HD PRO 58 -10.042 -0.536 8.669 485 H VAL 59 H VAL 59 -12.852 -4.620 6.492 486 HA VAL 59 HA VAL 59 -13.091 -5.932 9.089 487 HB VAL 59 HB VAL 59 -13.538 -7.110 6.322 488 1HG1 VAL 59 1HG1 VAL 59 -14.378 -8.112 9.043 489 2HG1 VAL 59 2HG1 VAL 59 -13.102 -8.785 8.029 490 3HG1 VAL 59 3HG1 VAL 59 -14.782 -8.871 7.504 491 1HG2 VAL 59 1HG2 VAL 59 -15.950 -6.858 6.721 492 2HG2 VAL 59 2HG2 VAL 59 -15.127 -5.297 6.685 493 3HG2 VAL 59 3HG2 VAL 59 -15.603 -6.009 8.226 494 HA PRO 60 HA PRO 60 -8.843 -6.880 7.909 495 1HB PRO 60 1HB PRO 60 -7.955 -6.973 10.560 496 2HB PRO 60 2HB PRO 60 -7.891 -5.579 9.481 497 1HG PRO 60 1HG PRO 60 -9.473 -5.845 11.803 498 2HG PRO 60 2HG PRO 60 -9.574 -4.562 10.589 499 1HD PRO 60 1HD PRO 60 -11.252 -6.993 10.921 500 2HD PRO 60 2HD PRO 60 -11.668 -5.384 10.278 501 H ILE 61 H ILE 61 -8.969 -8.892 7.171 502 HA ILE 61 HA ILE 61 -8.528 -11.078 9.064 503 HB ILE 61 HB ILE 61 -10.163 -11.154 6.472 504 1HG1 ILE 61 1HG1 ILE 61 -11.159 -11.492 9.307 505 2HG1 ILE 61 2HG1 ILE 61 -11.361 -10.045 8.331 506 1HG2 ILE 61 1HG2 ILE 61 -10.731 -13.476 7.062 507 2HG2 ILE 61 2HG2 ILE 61 -9.669 -13.373 8.467 508 3HG2 ILE 61 3HG2 ILE 61 -8.993 -13.266 6.844 509 1HD1 ILE 61 1HD1 ILE 61 -12.717 -11.310 6.742 510 2HD1 ILE 61 2HD1 ILE 61 -13.383 -11.380 8.371 511 3HD1 ILE 61 3HD1 ILE 61 -12.502 -12.765 7.718 512 H GLY 62 H GLY 62 -7.152 -12.786 7.832 513 1HA GLY 62 1HA GLY 62 -6.201 -13.007 5.469 514 2HA GLY 62 2HA GLY 62 -5.602 -11.390 5.802 515 H ILE 63 H ILE 63 -3.655 -12.761 5.165 516 HA ILE 63 HA ILE 63 -2.296 -13.499 7.630 517 HB ILE 63 HB ILE 63 -2.187 -15.150 5.076 518 1HG1 ILE 63 1HG1 ILE 63 -3.210 -15.897 7.834 519 2HG1 ILE 63 2HG1 ILE 63 -4.216 -15.563 6.433 520 1HG2 ILE 63 1HG2 ILE 63 -0.656 -16.634 6.317 521 2HG2 ILE 63 2HG2 ILE 63 -0.697 -15.515 7.680 522 3HG2 ILE 63 3HG2 ILE 63 0.008 -15.007 6.146 523 1HD1 ILE 63 1HD1 ILE 63 -2.274 -17.837 6.734 524 2HD1 ILE 63 2HD1 ILE 63 -3.258 -17.517 5.309 525 3HD1 ILE 63 3HD1 ILE 63 -4.032 -17.942 6.838 526 H ASP 64 H ASP 64 -0.856 -11.976 7.731 527 HA ASP 64 HA ASP 64 0.366 -10.850 5.311 528 1HB ASP 64 1HB ASP 64 -0.774 -9.508 7.226 529 2HB ASP 64 2HB ASP 64 0.678 -9.878 8.140 530 H GLU 65 H GLU 65 2.242 -11.988 4.774 531 HA GLU 65 HA GLU 65 3.691 -13.262 6.905 532 1HB GLU 65 1HB GLU 65 3.864 -13.460 3.940 533 2HB GLU 65 2HB GLU 65 5.146 -14.103 4.954 534 1HG GLU 65 1HG GLU 65 2.237 -14.881 5.059 535 2HG GLU 65 2HG GLU 65 3.549 -15.839 4.368 536 H GLU 66 H GLU 66 4.602 -10.954 4.375 537 HA GLU 66 HA GLU 66 6.306 -9.502 6.055 538 1HB GLU 66 1HB GLU 66 7.693 -11.580 5.841 539 2HB GLU 66 2HB GLU 66 7.666 -11.393 4.094 540 1HG GLU 66 1HG GLU 66 9.795 -10.715 5.154 541 2HG GLU 66 2HG GLU 66 9.034 -9.421 4.241 542 H ARG 67 H ARG 67 7.517 -7.961 4.700 543 HA ARG 67 HA ARG 67 5.881 -6.728 2.685 544 1HB ARG 67 1HB ARG 67 7.599 -5.741 4.393 545 2HB ARG 67 2HB ARG 67 8.804 -6.205 3.220 546 1HG ARG 67 1HG ARG 67 6.598 -4.173 2.788 547 2HG ARG 67 2HG ARG 67 8.288 -3.819 3.110 548 1HD ARG 67 1HD ARG 67 8.794 -5.095 0.986 549 2HD ARG 67 2HD ARG 67 7.067 -5.032 0.654 550 HE ARG 67 HE ARG 67 8.974 -2.887 0.455 551 1HH1 ARG 67 1HH1 ARG 67 5.480 -3.409 1.022 552 2HH1 ARG 67 2HH1 ARG 67 5.064 -1.961 0.211 553 1HH2 ARG 67 1HH2 ARG 67 8.277 -0.987 -0.664 554 2HH2 ARG 67 2HH2 ARG 67 6.586 -0.674 -0.797 555 H SER 68 H SER 68 8.731 -8.705 2.803 556 HA SER 68 HA SER 68 9.120 -8.662 -0.041 557 1HB SER 68 1HB SER 68 10.745 -9.906 2.158 558 2HB SER 68 2HB SER 68 11.260 -9.642 0.486 559 HG SER 68 HG SER 68 11.850 -7.801 1.076 560 H THR 69 H THR 69 6.899 -9.964 1.046 561 HA THR 69 HA THR 69 7.163 -12.576 -0.177 562 HB THR 69 HB THR 69 6.048 -12.290 2.642 563 HG1 THR 69 HG1 THR 69 8.612 -12.676 1.739 564 1HG2 THR 69 1HG2 THR 69 6.111 -14.741 2.689 565 2HG2 THR 69 2HG2 THR 69 6.788 -14.768 1.065 566 3HG2 THR 69 3HG2 THR 69 5.143 -14.184 1.325 567 H VAL 70 H VAL 70 4.889 -13.404 -0.506 568 HA VAL 70 HA VAL 70 3.220 -11.148 -1.041 569 HB VAL 70 HB VAL 70 1.510 -12.845 -1.872 570 1HG1 VAL 70 1HG1 VAL 70 2.933 -11.682 -3.422 571 2HG1 VAL 70 2HG1 VAL 70 2.713 -13.354 -3.940 572 3HG1 VAL 70 3HG1 VAL 70 4.220 -12.860 -3.169 573 1HG2 VAL 70 1HG2 VAL 70 2.251 -14.784 -0.637 574 2HG2 VAL 70 2HG2 VAL 70 3.797 -14.772 -1.484 575 3HG2 VAL 70 3HG2 VAL 70 2.306 -15.111 -2.366 576 H MET 71 H MET 71 2.150 -10.287 0.391 577 HA MET 71 HA MET 71 1.139 -11.743 2.688 578 1HB MET 71 1HB MET 71 0.455 -9.470 3.489 579 2HB MET 71 2HB MET 71 2.173 -9.571 3.135 580 1HG MET 71 1HG MET 71 1.800 -8.441 0.994 581 2HG MET 71 2HG MET 71 0.077 -8.365 1.335 582 1HE MET 71 1HE MET 71 3.643 -7.200 2.426 583 2HE MET 71 2HE MET 71 2.996 -7.794 3.959 584 3HE MET 71 3HE MET 71 3.280 -6.071 3.725 585 H ILE 72 H ILE 72 -0.925 -12.521 2.661 586 HA ILE 72 HA ILE 72 -2.633 -11.370 0.584 587 HB ILE 72 HB ILE 72 -2.902 -14.209 1.655 588 1HG1 ILE 72 1HG1 ILE 72 -2.419 -14.819 -0.800 589 2HG1 ILE 72 2HG1 ILE 72 -1.770 -13.197 -0.958 590 1HG2 ILE 72 1HG2 ILE 72 -4.404 -12.801 -0.550 591 2HG2 ILE 72 2HG2 ILE 72 -5.041 -13.240 1.031 592 3HG2 ILE 72 3HG2 ILE 72 -4.584 -14.501 -0.114 593 1HD1 ILE 72 1HD1 ILE 72 -0.005 -14.813 -0.600 594 2HD1 ILE 72 2HD1 ILE 72 -0.765 -15.348 0.892 595 3HD1 ILE 72 3HD1 ILE 72 -0.112 -13.712 0.771 596 HA PRO 73 HA PRO 73 -4.778 -10.464 4.381 597 1HB PRO 73 1HB PRO 73 -5.395 -7.885 3.258 598 2HB PRO 73 2HB PRO 73 -4.345 -8.234 4.626 599 1HG PRO 73 1HG PRO 73 -3.429 -7.257 2.240 600 2HG PRO 73 2HG PRO 73 -2.447 -8.262 3.324 601 1HD PRO 73 1HD PRO 73 -4.000 -9.073 0.891 602 2HD PRO 73 2HD PRO 73 -2.350 -9.531 1.387 603 H TYR 74 H TYR 74 -7.000 -10.196 4.664 604 HA TYR 74 HA TYR 74 -8.605 -10.190 2.243 605 1HB TYR 74 1HB TYR 74 -8.482 -12.475 3.365 606 2HB TYR 74 2HB TYR 74 -9.233 -11.719 4.769 607 HD1 TYR 74 HD1 TYR 74 -9.753 -12.615 1.241 608 HD2 TYR 74 HD2 TYR 74 -11.593 -11.322 4.840 609 HE1 TYR 74 HE1 TYR 74 -11.961 -13.030 0.251 610 HE2 TYR 74 HE2 TYR 74 -13.804 -11.735 3.866 611 HH TYR 74 HH TYR 74 -14.235 -13.527 1.063 612 H THR 75 H THR 75 -8.540 -7.965 2.673 613 HA THR 75 HA THR 75 -9.939 -7.259 5.085 614 HB THR 75 HB THR 75 -9.059 -4.952 4.708 615 HG1 THR 75 HG1 THR 75 -8.411 -5.882 2.324 616 1HG2 THR 75 1HG2 THR 75 -6.749 -5.463 5.420 617 2HG2 THR 75 2HG2 THR 75 -6.988 -7.146 4.945 618 3HG2 THR 75 3HG2 THR 75 -7.934 -6.458 6.263 619 H LYS 76 H LYS 76 -11.843 -6.274 4.931 620 HA LYS 76 HA LYS 76 -12.731 -5.581 2.220 621 1HB LYS 76 1HB LYS 76 -14.432 -6.344 4.602 622 2HB LYS 76 2HB LYS 76 -15.054 -5.853 3.041 623 1HG LYS 76 1HG LYS 76 -13.981 -7.795 1.996 624 2HG LYS 76 2HG LYS 76 -13.375 -8.296 3.574 625 1HD LYS 76 1HD LYS 76 -15.367 -9.565 3.038 626 2HD LYS 76 2HD LYS 76 -15.707 -8.474 4.378 627 1HE LYS 76 1HE LYS 76 -17.557 -8.486 2.798 628 2HE LYS 76 2HE LYS 76 -16.793 -6.902 2.814 629 1HZ LYS 76 1HZ LYS 76 -15.626 -7.548 0.726 630 2HZ LYS 76 2HZ LYS 76 -17.295 -7.639 0.565 631 3HZ LYS 76 3HZ LYS 76 -16.408 -9.030 0.781 632 HA PRO 77 HA PRO 77 -12.920 -1.490 4.164 633 1HB PRO 77 1HB PRO 77 -11.136 -0.306 2.484 634 2HB PRO 77 2HB PRO 77 -10.621 -1.205 3.909 635 1HG PRO 77 1HG PRO 77 -10.232 -1.876 1.123 636 2HG PRO 77 2HG PRO 77 -9.618 -2.720 2.551 637 1HD PRO 77 1HD PRO 77 -11.997 -3.305 0.895 638 2HD PRO 77 2HD PRO 77 -11.064 -4.380 1.962 639 H CYS 78 H CYS 78 -12.761 0.702 2.453 640 HA CYS 78 HA CYS 78 -15.035 0.222 0.722 641 1HB CYS 78 1HB CYS 78 -14.869 2.165 2.413 642 2HB CYS 78 2HB CYS 78 -13.706 2.867 1.305 643 HG CYS 78 HG CYS 78 -16.805 2.024 0.289 644 H TYR 79 H TYR 79 -11.908 -0.220 0.371 645 HA TYR 79 HA TYR 79 -11.839 0.871 -2.354 646 1HB TYR 79 1HB TYR 79 -10.242 2.004 -0.766 647 2HB TYR 79 2HB TYR 79 -9.418 0.469 -0.570 648 HD1 TYR 79 HD1 TYR 79 -7.993 -0.414 -2.386 649 HD2 TYR 79 HD2 TYR 79 -10.047 3.286 -2.787 650 HE1 TYR 79 HE1 TYR 79 -6.570 0.154 -4.309 651 HE2 TYR 79 HE2 TYR 79 -8.634 3.863 -4.701 652 HH TYR 79 HH TYR 79 -6.542 1.595 -6.201 653 H GLY 80 H GLY 80 -9.518 -1.356 -0.789 654 1HA GLY 80 1HA GLY 80 -10.539 -3.737 -1.765 655 2HA GLY 80 2HA GLY 80 -9.401 -3.080 -2.943 656 H THR 81 H THR 81 -8.220 -5.088 -2.286 657 HA THR 81 HA THR 81 -6.669 -4.603 0.142 658 HB THR 81 HB THR 81 -7.284 -7.285 -1.120 659 HG1 THR 81 HG1 THR 81 -9.055 -6.010 -0.030 660 1HG2 THR 81 1HG2 THR 81 -6.107 -6.542 1.551 661 2HG2 THR 81 2HG2 THR 81 -5.213 -7.195 0.179 662 3HG2 THR 81 3HG2 THR 81 -6.435 -8.181 0.986 663 H ALA 82 H ALA 82 -4.486 -5.069 0.049 664 HA ALA 82 HA ALA 82 -3.348 -4.961 -2.664 665 1HB ALA 82 1HB ALA 82 -1.654 -3.509 -1.743 666 2HB ALA 82 2HB ALA 82 -2.398 -3.628 -0.151 667 3HB ALA 82 3HB ALA 82 -3.266 -2.842 -1.467 668 H VAL 83 H VAL 83 -2.148 -6.727 -3.087 669 HA VAL 83 HA VAL 83 -0.664 -7.989 -0.914 670 HB VAL 83 HB VAL 83 -1.181 -8.942 -3.773 671 1HG1 VAL 83 1HG1 VAL 83 -0.265 -11.088 -3.055 672 2HG1 VAL 83 2HG1 VAL 83 0.045 -10.424 -1.453 673 3HG1 VAL 83 3HG1 VAL 83 0.924 -9.798 -2.844 674 1HG2 VAL 83 1HG2 VAL 83 -2.413 -9.900 -1.195 675 2HG2 VAL 83 2HG2 VAL 83 -2.674 -10.613 -2.787 676 3HG2 VAL 83 3HG2 VAL 83 -3.227 -8.969 -2.450 677 H VAL 84 H VAL 84 1.227 -6.882 -0.719 678 HA VAL 84 HA VAL 84 2.527 -5.996 -3.171 679 HB VAL 84 HB VAL 84 3.819 -4.437 -1.840 680 1HG1 VAL 84 1HG1 VAL 84 0.970 -4.367 -0.960 681 2HG1 VAL 84 2HG1 VAL 84 1.659 -3.667 -2.424 682 3HG1 VAL 84 3HG1 VAL 84 2.117 -3.034 -0.843 683 1HG2 VAL 84 1HG2 VAL 84 3.631 -4.237 0.601 684 2HG2 VAL 84 2HG2 VAL 84 4.262 -5.820 0.144 685 3HG2 VAL 84 3HG2 VAL 84 2.577 -5.651 0.636 686 H GLU 85 H GLU 85 4.493 -7.082 -3.756 687 HA GLU 85 HA GLU 85 5.785 -8.694 -1.678 688 1HB GLU 85 1HB GLU 85 4.538 -10.265 -3.130 689 2HB GLU 85 2HB GLU 85 5.381 -9.627 -4.543 690 1HG GLU 85 1HG GLU 85 7.535 -10.312 -3.436 691 2HG GLU 85 2HG GLU 85 6.566 -11.133 -2.222 692 H LEU 86 H LEU 86 7.710 -7.950 -1.397 693 HA LEU 86 HA LEU 86 9.057 -6.542 -3.575 694 1HB LEU 86 1HB LEU 86 8.727 -5.501 -1.336 695 2HB LEU 86 2HB LEU 86 9.741 -6.747 -0.651 696 HG LEU 86 HG LEU 86 11.533 -5.917 -2.245 697 1HD1 LEU 86 1HD1 LEU 86 11.383 -3.594 -2.913 698 2HD1 LEU 86 2HD1 LEU 86 9.696 -3.561 -2.393 699 3HD1 LEU 86 3HD1 LEU 86 10.194 -4.614 -3.717 700 1HD2 LEU 86 1HD2 LEU 86 12.169 -4.122 -0.690 701 2HD2 LEU 86 2HD2 LEU 86 11.649 -5.589 0.138 702 3HD2 LEU 86 3HD2 LEU 86 10.563 -4.202 0.027 703 HA PRO 87 HA PRO 87 11.758 -10.181 -3.805 704 1HB PRO 87 1HB PRO 87 13.347 -9.395 -5.801 705 2HB PRO 87 2HB PRO 87 11.649 -9.791 -6.100 706 1HG PRO 87 1HG PRO 87 12.934 -7.111 -5.803 707 2HG PRO 87 2HG PRO 87 11.716 -7.649 -6.972 708 1HD PRO 87 1HD PRO 87 11.140 -6.233 -4.683 709 2HD PRO 87 2HD PRO 87 9.986 -7.301 -5.508 710 H VAL 88 H VAL 88 12.486 -7.192 -2.710 711 HA VAL 88 HA VAL 88 15.353 -7.639 -2.259 712 HB VAL 88 HB VAL 88 13.718 -5.210 -1.462 713 1HG1 VAL 88 1HG1 VAL 88 15.866 -5.323 -0.372 714 2HG1 VAL 88 2HG1 VAL 88 15.853 -3.998 -1.534 715 3HG1 VAL 88 3HG1 VAL 88 16.677 -5.508 -1.926 716 1HG2 VAL 88 1HG2 VAL 88 13.431 -5.472 -3.853 717 2HG2 VAL 88 2HG2 VAL 88 15.174 -5.615 -4.069 718 3HG2 VAL 88 3HG2 VAL 88 14.478 -4.088 -3.526 719 H ASP 89 H ASP 89 16.038 -7.146 0.066 720 HA ASP 89 HA ASP 89 14.667 -8.885 1.827 721 1HB ASP 89 1HB ASP 89 17.093 -8.571 1.745 722 2HB ASP 89 2HB ASP 89 16.928 -6.925 2.312 723 HA PRO 90 HA PRO 90 11.706 -6.239 3.893 724 1HB PRO 90 1HB PRO 90 12.230 -7.120 6.511 725 2HB PRO 90 2HB PRO 90 11.027 -7.774 5.400 726 1HG PRO 90 1HG PRO 90 13.769 -8.737 6.010 727 2HG PRO 90 2HG PRO 90 12.311 -9.669 5.621 728 1HD PRO 90 1HD PRO 90 14.273 -9.340 3.849 729 2HD PRO 90 2HD PRO 90 12.571 -9.328 3.336 730 H GLU 91 H GLU 91 15.078 -6.051 4.598 731 HA GLU 91 HA GLU 91 15.234 -4.123 6.601 732 1HB GLU 91 1HB GLU 91 17.408 -3.473 5.579 733 2HB GLU 91 2HB GLU 91 17.232 -5.208 5.788 734 1HG GLU 91 1HG GLU 91 16.653 -5.437 3.446 735 2HG GLU 91 2HG GLU 91 16.825 -3.706 3.216 736 H GLU 92 H GLU 92 14.166 -3.828 3.356 737 HA GLU 92 HA GLU 92 14.469 -1.099 2.906 738 1HB GLU 92 1HB GLU 92 12.454 -3.077 1.909 739 2HB GLU 92 2HB GLU 92 12.379 -1.380 1.461 740 1HG GLU 92 1HG GLU 92 14.746 -3.175 0.985 741 2HG GLU 92 2HG GLU 92 13.515 -2.778 -0.214 742 H ILE 93 H ILE 93 12.301 -2.739 5.052 743 HA ILE 93 HA ILE 93 10.330 -0.714 5.259 744 HB ILE 93 HB ILE 93 11.215 -2.826 7.227 745 1HG1 ILE 93 1HG1 ILE 93 10.037 -3.616 5.210 746 2HG1 ILE 93 2HG1 ILE 93 9.114 -3.937 6.673 747 1HG2 ILE 93 1HG2 ILE 93 8.896 -0.918 7.563 748 2HG2 ILE 93 2HG2 ILE 93 10.347 -0.988 8.564 749 3HG2 ILE 93 3HG2 ILE 93 9.200 -2.328 8.576 750 1HD1 ILE 93 1HD1 ILE 93 7.639 -3.177 4.926 751 2HD1 ILE 93 2HD1 ILE 93 8.610 -1.731 4.675 752 3HD1 ILE 93 3HD1 ILE 93 7.726 -1.949 6.186 753 H GLU 94 H GLU 94 13.394 -1.217 6.940 754 HA GLU 94 HA GLU 94 13.073 0.933 8.750 755 1HB GLU 94 1HB GLU 94 15.666 -0.214 7.695 756 2HB GLU 94 2HB GLU 94 15.471 0.753 9.149 757 1HG GLU 94 1HG GLU 94 14.474 -2.032 8.650 758 2HG GLU 94 2HG GLU 94 15.679 -1.504 9.824 759 H ARG 95 H ARG 95 14.376 0.633 5.553 760 HA ARG 95 HA ARG 95 15.352 3.266 5.234 761 1HB ARG 95 1HB ARG 95 15.931 1.539 3.616 762 2HB ARG 95 2HB ARG 95 14.234 1.310 3.208 763 1HG ARG 95 1HG ARG 95 14.179 3.637 2.373 764 2HG ARG 95 2HG ARG 95 15.910 3.744 2.673 765 1HD ARG 95 1HD ARG 95 16.321 1.973 1.083 766 2HD ARG 95 2HD ARG 95 14.584 1.744 0.861 767 HE ARG 95 HE ARG 95 15.721 4.362 0.272 768 1HH1 ARG 95 1HH1 ARG 95 14.492 1.296 -0.988 769 2HH1 ARG 95 2HH1 ARG 95 14.097 1.945 -2.511 770 1HH2 ARG 95 1HH2 ARG 95 15.206 5.220 -1.854 771 2HH2 ARG 95 2HH2 ARG 95 14.527 4.187 -3.031 772 H ILE 96 H ILE 96 12.316 1.714 4.446 773 HA ILE 96 HA ILE 96 10.946 3.842 3.331 774 HB ILE 96 HB ILE 96 10.489 1.209 4.308 775 1HG1 ILE 96 1HG1 ILE 96 9.492 2.624 1.851 776 2HG1 ILE 96 2HG1 ILE 96 10.906 1.586 1.994 777 1HG2 ILE 96 1HG2 ILE 96 7.952 1.251 4.154 778 2HG2 ILE 96 2HG2 ILE 96 8.052 3.013 4.278 779 3HG2 ILE 96 3HG2 ILE 96 8.652 2.003 5.580 780 1HD1 ILE 96 1HD1 ILE 96 8.047 0.715 2.322 781 2HD1 ILE 96 2HD1 ILE 96 9.469 -0.328 2.403 782 3HD1 ILE 96 3HD1 ILE 96 9.043 0.475 0.890 783 H LEU 97 H LEU 97 11.383 2.988 6.665 784 HA LEU 97 HA LEU 97 9.251 4.578 7.638 785 1HB LEU 97 1HB LEU 97 10.356 2.772 8.926 786 2HB LEU 97 2HB LEU 97 11.787 3.770 9.064 787 HG LEU 97 HG LEU 97 10.525 5.392 10.419 788 1HD1 LEU 97 1HD1 LEU 97 8.297 5.052 9.498 789 2HD1 LEU 97 2HD1 LEU 97 8.282 4.804 11.243 790 3HD1 LEU 97 3HD1 LEU 97 8.258 3.416 10.157 791 1HD2 LEU 97 1HD2 LEU 97 10.269 3.981 12.405 792 2HD2 LEU 97 2HD2 LEU 97 11.742 3.594 11.512 793 3HD2 LEU 97 3HD2 LEU 97 10.332 2.544 11.382 794 H GLU 98 H GLU 98 12.605 5.269 6.938 795 HA GLU 98 HA GLU 98 12.451 8.028 7.875 796 1HB GLU 98 1HB GLU 98 14.522 6.709 8.126 797 2HB GLU 98 2HB GLU 98 14.599 6.510 6.386 798 1HG GLU 98 1HG GLU 98 16.190 8.184 7.121 799 2HG GLU 98 2HG GLU 98 14.941 8.910 6.115 800 H VAL 99 H VAL 99 12.745 6.259 4.910 801 HA VAL 99 HA VAL 99 12.740 8.518 3.137 802 HB VAL 99 HB VAL 99 12.771 5.505 2.685 803 1HG1 VAL 99 1HG1 VAL 99 13.376 7.720 0.688 804 2HG1 VAL 99 2HG1 VAL 99 11.981 6.645 0.627 805 3HG1 VAL 99 3HG1 VAL 99 13.606 5.995 0.400 806 1HG2 VAL 99 1HG2 VAL 99 14.974 7.556 2.670 807 2HG2 VAL 99 2HG2 VAL 99 15.166 5.870 2.197 808 3HG2 VAL 99 3HG2 VAL 99 14.712 6.275 3.854 809 H ALA 100 H ALA 100 10.359 7.532 4.871 810 HA ALA 100 HA ALA 100 8.277 6.715 3.283 811 1HB ALA 100 1HB ALA 100 6.809 7.362 5.111 812 2HB ALA 100 2HB ALA 100 8.120 8.297 5.831 813 3HB ALA 100 3HB ALA 100 8.254 6.542 5.707 814 H GLU 101 H GLU 101 9.478 9.855 4.040 815 HA GLU 101 HA GLU 101 7.180 11.066 2.853 816 1HB GLU 101 1HB GLU 101 9.554 12.486 4.114 817 2HB GLU 101 2HB GLU 101 7.995 13.167 3.705 818 1HG GLU 101 1HG GLU 101 6.902 11.883 5.428 819 2HG GLU 101 2HG GLU 101 8.388 11.005 5.759 820 HA PRO 102 HA PRO 102 10.226 12.116 -0.439 821 1HB PRO 102 1HB PRO 102 12.919 12.206 0.061 822 2HB PRO 102 2HB PRO 102 11.777 13.505 0.454 823 1HG PRO 102 1HG PRO 102 13.255 11.874 2.292 824 2HG PRO 102 2HG PRO 102 12.057 13.120 2.681 825 1HD PRO 102 1HD PRO 102 11.714 10.170 2.376 826 2HD PRO 102 2HD PRO 102 10.876 11.268 3.490 Start of MODEL 6 1 H HIS 1 H HIS 1 4.245 6.737 -12.406 2 HA HIS 1 HA HIS 1 1.777 7.144 -10.894 3 1HB HIS 1 1HB HIS 1 3.149 4.605 -11.754 4 2HB HIS 1 2HB HIS 1 2.096 4.664 -10.350 5 HD1 HIS 1 HD1 HIS 1 1.996 4.558 -14.094 6 HD2 HIS 1 HD2 HIS 1 -0.606 5.165 -10.902 7 HE1 HIS 1 HE1 HIS 1 -0.325 4.308 -15.016 8 H MET 2 H MET 2 2.483 8.352 -9.352 9 HA MET 2 HA MET 2 4.096 7.139 -7.329 10 1HB MET 2 1HB MET 2 4.761 9.877 -8.491 11 2HB MET 2 2HB MET 2 5.408 9.248 -6.987 12 1HG MET 2 1HG MET 2 6.539 7.457 -8.252 13 2HG MET 2 2HG MET 2 5.915 8.146 -9.744 14 1HE MET 2 1HE MET 2 6.616 10.536 -10.686 15 2HE MET 2 2HE MET 2 7.764 11.605 -9.886 16 3HE MET 2 3HE MET 2 6.187 11.310 -9.159 17 H THR 3 H THR 3 2.998 7.502 -5.504 18 HA THR 3 HA THR 3 0.803 9.432 -5.608 19 HB THR 3 HB THR 3 1.263 7.008 -3.868 20 HG1 THR 3 HG1 THR 3 -0.652 6.323 -4.885 21 1HG2 THR 3 1HG2 THR 3 -1.023 8.994 -3.773 22 2HG2 THR 3 2HG2 THR 3 0.164 8.701 -2.505 23 3HG2 THR 3 3HG2 THR 3 -0.996 7.445 -2.933 24 H PHE 4 H PHE 4 1.126 11.294 -4.625 25 HA PHE 4 HA PHE 4 2.525 11.181 -2.099 26 1HB PHE 4 1HB PHE 4 2.929 13.400 -4.146 27 2HB PHE 4 2HB PHE 4 3.620 13.399 -2.528 28 HD1 PHE 4 HD1 PHE 4 4.158 12.589 -5.884 29 HD2 PHE 4 HD2 PHE 4 5.038 11.293 -1.934 30 HE1 PHE 4 HE1 PHE 4 6.042 11.285 -6.735 31 HE2 PHE 4 HE2 PHE 4 6.932 9.983 -2.784 32 HZ PHE 4 HZ PHE 4 7.414 9.964 -5.187 33 H CYS 5 H CYS 5 -0.310 11.494 -3.272 34 HA CYS 5 HA CYS 5 -1.183 13.629 -1.484 35 1HB CYS 5 1HB CYS 5 -2.278 13.096 -4.262 36 2HB CYS 5 2HB CYS 5 -2.893 14.291 -3.133 37 HG CYS 5 HG CYS 5 -0.162 14.375 -5.086 38 H LEU 6 H LEU 6 -2.128 12.351 0.097 39 HA LEU 6 HA LEU 6 -3.172 9.860 -0.645 40 1HB LEU 6 1HB LEU 6 -3.542 9.330 1.647 41 2HB LEU 6 2HB LEU 6 -2.020 10.151 1.540 42 HG LEU 6 HG LEU 6 -2.904 10.791 3.513 43 1HD1 LEU 6 1HD1 LEU 6 -2.126 12.753 2.434 44 2HD1 LEU 6 2HD1 LEU 6 -3.489 13.140 3.487 45 3HD1 LEU 6 3HD1 LEU 6 -3.725 13.046 1.744 46 1HD2 LEU 6 1HD2 LEU 6 -5.119 9.893 3.379 47 2HD2 LEU 6 2HD2 LEU 6 -5.620 11.161 2.263 48 3HD2 LEU 6 3HD2 LEU 6 -5.237 11.565 3.936 49 H GLU 7 H GLU 7 -4.428 12.958 0.073 50 HA GLU 7 HA GLU 7 -7.120 12.204 0.540 51 1HB GLU 7 1HB GLU 7 -6.525 14.064 1.706 52 2HB GLU 7 2HB GLU 7 -5.568 14.755 0.441 53 1HG GLU 7 1HG GLU 7 -7.468 16.149 0.841 54 2HG GLU 7 2HG GLU 7 -7.696 15.328 -0.712 55 H THR 8 H THR 8 -5.291 12.837 -2.280 56 HA THR 8 HA THR 8 -7.464 13.563 -3.893 57 HB THR 8 HB THR 8 -4.836 12.273 -4.634 58 HG1 THR 8 HG1 THR 8 -5.473 14.997 -4.973 59 1HG2 THR 8 1HG2 THR 8 -6.491 12.107 -6.456 60 2HG2 THR 8 2HG2 THR 8 -5.212 13.248 -6.875 61 3HG2 THR 8 3HG2 THR 8 -6.786 13.840 -6.345 62 H TYR 9 H TYR 9 -6.136 10.540 -2.734 63 HA TYR 9 HA TYR 9 -7.612 8.933 -4.501 64 1HB TYR 9 1HB TYR 9 -5.978 8.397 -2.074 65 2HB TYR 9 2HB TYR 9 -6.982 7.112 -2.735 66 HD1 TYR 9 HD1 TYR 9 -4.201 9.421 -3.447 67 HD2 TYR 9 HD2 TYR 9 -6.375 6.022 -4.770 68 HE1 TYR 9 HE1 TYR 9 -2.500 9.006 -5.164 69 HE2 TYR 9 HE2 TYR 9 -4.670 5.594 -6.486 70 HH TYR 9 HH TYR 9 -1.686 7.062 -6.375 71 H LEU 10 H LEU 10 -8.136 10.364 -1.444 72 HA LEU 10 HA LEU 10 -10.349 8.903 -0.542 73 1HB LEU 10 1HB LEU 10 -8.952 10.849 0.688 74 2HB LEU 10 2HB LEU 10 -9.951 11.864 -0.252 75 HG LEU 10 HG LEU 10 -11.396 9.959 1.526 76 1HD1 LEU 10 1HD1 LEU 10 -11.245 11.574 3.346 77 2HD1 LEU 10 2HD1 LEU 10 -10.119 12.546 2.401 78 3HD1 LEU 10 3HD1 LEU 10 -9.651 10.935 2.946 79 1HD2 LEU 10 1HD2 LEU 10 -11.840 12.814 0.674 80 2HD2 LEU 10 2HD2 LEU 10 -12.950 11.845 1.638 81 3HD2 LEU 10 3HD2 LEU 10 -12.612 11.400 -0.040 82 H GLN 11 H GLN 11 -9.934 11.690 -2.578 83 HA GLN 11 HA GLN 11 -12.614 12.303 -3.156 84 1HB GLN 11 1HB GLN 11 -10.025 12.937 -4.512 85 2HB GLN 11 2HB GLN 11 -11.553 13.685 -4.961 86 1HG GLN 11 1HG GLN 11 -11.759 14.683 -2.837 87 2HG GLN 11 2HG GLN 11 -10.428 13.732 -2.185 88 1HE2 GLN 11 1HE2 GLN 11 -9.289 15.357 -1.567 89 2HE2 GLN 11 2HE2 GLN 11 -8.467 16.491 -2.593 90 H GLN 12 H GLN 12 -10.178 10.327 -4.650 91 HA GLN 12 HA GLN 12 -11.511 9.887 -7.041 92 1HB GLN 12 1HB GLN 12 -9.302 8.432 -5.638 93 2HB GLN 12 2HB GLN 12 -9.984 7.801 -7.126 94 1HG GLN 12 1HG GLN 12 -9.353 9.795 -8.320 95 2HG GLN 12 2HG GLN 12 -8.819 10.551 -6.825 96 1HE2 GLN 12 1HE2 GLN 12 -8.093 8.019 -9.160 97 2HE2 GLN 12 2HE2 GLN 12 -6.447 7.847 -8.701 98 H SER 13 H SER 13 -11.394 8.071 -3.996 99 HA SER 13 HA SER 13 -13.922 6.937 -4.638 100 1HB SER 13 1HB SER 13 -11.550 5.080 -4.315 101 2HB SER 13 2HB SER 13 -13.233 4.574 -4.471 102 HG SER 13 HG SER 13 -12.609 6.256 -6.412 103 H GLY 14 H GLY 14 -11.168 6.135 -2.565 104 1HA GLY 14 1HA GLY 14 -12.461 7.026 -0.221 105 2HA GLY 14 2HA GLY 14 -12.438 5.265 -0.377 106 H GLU 15 H GLU 15 -11.079 6.441 1.618 107 HA GLU 15 HA GLU 15 -8.421 7.059 0.977 108 1HB GLU 15 1HB GLU 15 -9.359 5.954 3.621 109 2HB GLU 15 2HB GLU 15 -7.973 6.980 3.312 110 1HG GLU 15 1HG GLU 15 -9.446 8.500 4.213 111 2HG GLU 15 2HG GLU 15 -9.793 8.675 2.502 112 H TYR 16 H TYR 16 -6.594 5.874 0.977 113 HA TYR 16 HA TYR 16 -6.714 3.010 1.555 114 1HB TYR 16 1HB TYR 16 -6.793 3.230 -0.889 115 2HB TYR 16 2HB TYR 16 -5.432 4.343 -0.867 116 HD1 TYR 16 HD1 TYR 16 -3.366 3.482 -1.442 117 HD2 TYR 16 HD2 TYR 16 -6.249 0.867 0.264 118 HE1 TYR 16 HE1 TYR 16 -1.792 1.598 -1.659 119 HE2 TYR 16 HE2 TYR 16 -4.687 -1.008 0.039 120 HH TYR 16 HH TYR 16 -1.378 -0.387 -1.080 121 H GLU 17 H GLU 17 -5.748 5.777 2.549 122 HA GLU 17 HA GLU 17 -3.241 5.044 3.629 123 1HB GLU 17 1HB GLU 17 -3.611 7.454 1.840 124 2HB GLU 17 2HB GLU 17 -2.170 7.181 2.809 125 1HG GLU 17 1HG GLU 17 -1.640 5.240 1.429 126 2HG GLU 17 2HG GLU 17 -3.141 5.466 0.534 127 H ILE 18 H ILE 18 -2.886 6.587 5.436 128 HA ILE 18 HA ILE 18 -5.337 7.959 6.102 129 HB ILE 18 HB ILE 18 -4.445 6.379 7.853 130 1HG1 ILE 18 1HG1 ILE 18 -4.565 9.238 8.832 131 2HG1 ILE 18 2HG1 ILE 18 -5.973 8.252 8.462 132 1HG2 ILE 18 1HG2 ILE 18 -2.124 6.609 7.712 133 2HG2 ILE 18 2HG2 ILE 18 -2.576 7.242 9.300 134 3HG2 ILE 18 3HG2 ILE 18 -2.202 8.352 7.983 135 1HD1 ILE 18 1HD1 ILE 18 -3.920 7.700 10.586 136 2HD1 ILE 18 2HD1 ILE 18 -5.338 6.709 10.241 137 3HD1 ILE 18 3HD1 ILE 18 -5.536 8.354 10.849 138 H HIS 19 H HIS 19 -5.000 10.204 7.346 139 HA HIS 19 HA HIS 19 -3.663 11.817 5.399 140 1HB HIS 19 1HB HIS 19 -5.875 12.366 6.643 141 2HB HIS 19 2HB HIS 19 -4.835 12.889 7.966 142 HD1 HIS 19 HD1 HIS 19 -6.158 13.936 4.661 143 HD2 HIS 19 HD2 HIS 19 -3.255 15.214 7.349 144 HE1 HIS 19 HE1 HIS 19 -5.548 16.237 3.956 145 H MET 20 H MET 20 -1.778 10.796 5.840 146 HA MET 20 HA MET 20 0.023 12.273 7.630 147 1HB MET 20 1HB MET 20 -0.435 9.375 7.378 148 2HB MET 20 2HB MET 20 1.244 9.843 7.581 149 1HG MET 20 1HG MET 20 -1.083 10.395 9.418 150 2HG MET 20 2HG MET 20 0.248 9.273 9.706 151 1HE MET 20 1HE MET 20 1.029 11.954 12.381 152 2HE MET 20 2HE MET 20 0.749 10.247 12.037 153 3HE MET 20 3HE MET 20 -0.571 11.408 11.891 154 H LYS 21 H LYS 21 2.485 11.343 6.713 155 HA LYS 21 HA LYS 21 2.402 12.454 4.060 156 1HB LYS 21 1HB LYS 21 4.790 11.426 5.608 157 2HB LYS 21 2HB LYS 21 4.857 12.303 4.093 158 1HG LYS 21 1HG LYS 21 3.753 14.215 5.277 159 2HG LYS 21 2HG LYS 21 4.018 13.334 6.785 160 1HD LYS 21 1HD LYS 21 6.451 13.222 6.157 161 2HD LYS 21 2HD LYS 21 6.088 14.325 4.831 162 1HE LYS 21 1HE LYS 21 6.935 15.602 6.676 163 2HE LYS 21 2HE LYS 21 5.210 15.941 6.521 164 1HZ LYS 21 1HZ LYS 21 4.762 14.432 8.328 165 2HZ LYS 21 2HZ LYS 21 5.926 15.544 8.840 166 3HZ LYS 21 3HZ LYS 21 6.386 13.980 8.379 167 H ARG 22 H ARG 22 1.967 11.273 2.402 168 HA ARG 22 HA ARG 22 2.551 8.451 2.536 169 1HB ARG 22 1HB ARG 22 0.659 8.135 1.133 170 2HB ARG 22 2HB ARG 22 0.211 9.329 2.311 171 1HG ARG 22 1HG ARG 22 0.873 9.802 -0.571 172 2HG ARG 22 2HG ARG 22 -0.707 9.925 0.161 173 1HD ARG 22 1HD ARG 22 1.683 11.724 0.525 174 2HD ARG 22 2HD ARG 22 0.178 12.113 -0.267 175 HE ARG 22 HE ARG 22 -0.162 11.536 2.527 176 1HH1 ARG 22 1HH1 ARG 22 0.684 14.061 0.164 177 2HH1 ARG 22 2HH1 ARG 22 0.446 15.352 1.246 178 1HH2 ARG 22 1HH2 ARG 22 -0.408 13.372 4.037 179 2HH2 ARG 22 2HH2 ARG 22 -0.178 14.968 3.488 180 H ALA 23 H ALA 23 4.030 7.576 1.115 181 HA ALA 23 HA ALA 23 4.674 9.115 -1.248 182 1HB ALA 23 1HB ALA 23 6.427 9.645 0.347 183 2HB ALA 23 2HB ALA 23 7.080 8.578 -0.899 184 3HB ALA 23 3HB ALA 23 6.668 7.937 0.693 185 H GLY 24 H GLY 24 3.737 7.743 -2.595 186 1HA GLY 24 1HA GLY 24 4.521 4.951 -2.293 187 2HA GLY 24 2HA GLY 24 2.900 5.454 -2.811 188 H PHE 25 H PHE 25 6.264 5.087 -3.745 189 HA PHE 25 HA PHE 25 5.897 6.138 -6.381 190 1HB PHE 25 1HB PHE 25 8.078 4.340 -5.284 191 2HB PHE 25 2HB PHE 25 8.111 5.110 -6.859 192 HD1 PHE 25 HD1 PHE 25 8.679 5.490 -3.325 193 HD2 PHE 25 HD2 PHE 25 8.324 7.559 -7.004 194 HE1 PHE 25 HE1 PHE 25 9.807 7.438 -2.338 195 HE2 PHE 25 HE2 PHE 25 9.439 9.508 -6.026 196 HZ PHE 25 HZ PHE 25 10.175 9.450 -3.678 197 H ARG 26 H ARG 26 6.894 2.877 -5.554 198 HA ARG 26 HA ARG 26 5.914 1.835 -7.998 199 1HB ARG 26 1HB ARG 26 6.906 0.482 -5.529 200 2HB ARG 26 2HB ARG 26 6.408 -0.385 -6.967 201 1HG ARG 26 1HG ARG 26 8.549 1.712 -6.993 202 2HG ARG 26 2HG ARG 26 8.849 0.005 -6.650 203 1HD ARG 26 1HD ARG 26 9.279 0.392 -8.988 204 2HD ARG 26 2HD ARG 26 7.805 -0.555 -8.817 205 HE ARG 26 HE ARG 26 7.740 2.350 -9.278 206 1HH1 ARG 26 1HH1 ARG 26 6.689 -0.913 -10.217 207 2HH1 ARG 26 2HH1 ARG 26 5.579 -0.385 -11.381 208 1HH2 ARG 26 1HH2 ARG 26 6.228 3.077 -10.883 209 2HH2 ARG 26 2HH2 ARG 26 5.307 1.947 -11.771 210 H GLU 27 H GLU 27 4.555 1.833 -4.692 211 HA GLU 27 HA GLU 27 2.622 -0.087 -5.510 212 1HB GLU 27 1HB GLU 27 3.662 0.465 -3.184 213 2HB GLU 27 2HB GLU 27 2.268 1.541 -3.046 214 1HG GLU 27 1HG GLU 27 1.812 -1.278 -3.837 215 2HG GLU 27 2HG GLU 27 2.323 -0.970 -2.188 216 H CYS 28 H CYS 28 2.940 3.205 -6.048 217 HA CYS 28 HA CYS 28 0.304 4.108 -6.042 218 1HB CYS 28 1HB CYS 28 2.239 5.543 -6.598 219 2HB CYS 28 2HB CYS 28 2.393 4.714 -8.141 220 HG CYS 28 HG CYS 28 0.061 6.841 -7.057 221 H ALA 29 H ALA 29 2.006 2.048 -8.332 222 HA ALA 29 HA ALA 29 -0.007 2.015 -10.342 223 1HB ALA 29 1HB ALA 29 2.150 0.009 -9.763 224 2HB ALA 29 2HB ALA 29 2.319 1.419 -10.810 225 3HB ALA 29 3HB ALA 29 1.211 0.117 -11.253 226 H ALA 30 H ALA 30 0.754 -0.007 -7.633 227 HA ALA 30 HA ALA 30 -1.097 -2.030 -8.060 228 1HB ALA 30 1HB ALA 30 -0.112 -1.028 -5.444 229 2HB ALA 30 2HB ALA 30 0.843 -1.990 -6.551 230 3HB ALA 30 3HB ALA 30 -0.638 -2.664 -5.855 231 H MET 31 H MET 31 -1.293 0.843 -6.024 232 HA MET 31 HA MET 31 -3.798 0.280 -4.932 233 1HB MET 31 1HB MET 31 -3.954 2.669 -4.307 234 2HB MET 31 2HB MET 31 -2.414 1.940 -3.894 235 1HG MET 31 1HG MET 31 -1.440 2.965 -5.908 236 2HG MET 31 2HG MET 31 -2.976 3.759 -6.213 237 1HE MET 31 1HE MET 31 0.078 3.455 -3.738 238 2HE MET 31 2HE MET 31 -1.280 3.213 -2.632 239 3HE MET 31 3HE MET 31 -0.316 4.681 -2.534 240 H ILE 32 H ILE 32 -3.054 1.760 -7.991 241 HA ILE 32 HA ILE 32 -5.652 2.700 -8.590 242 HB ILE 32 HB ILE 32 -3.440 1.753 -10.424 243 1HG1 ILE 32 1HG1 ILE 32 -2.740 3.648 -9.060 244 2HG1 ILE 32 2HG1 ILE 32 -2.921 4.144 -10.736 245 1HG2 ILE 32 1HG2 ILE 32 -4.561 3.060 -12.206 246 2HG2 ILE 32 2HG2 ILE 32 -5.906 3.366 -11.105 247 3HG2 ILE 32 3HG2 ILE 32 -5.551 1.720 -11.625 248 1HD1 ILE 32 1HD1 ILE 32 -4.874 4.679 -8.501 249 2HD1 ILE 32 2HD1 ILE 32 -5.084 5.166 -10.182 250 3HD1 ILE 32 3HD1 ILE 32 -3.766 5.843 -9.225 251 H GLU 33 H GLU 33 -4.045 -0.378 -9.002 252 HA GLU 33 HA GLU 33 -6.230 -1.550 -10.440 253 1HB GLU 33 1HB GLU 33 -3.793 -2.849 -9.214 254 2HB GLU 33 2HB GLU 33 -4.908 -3.600 -10.346 255 1HG GLU 33 1HG GLU 33 -3.113 -1.253 -10.921 256 2HG GLU 33 2HG GLU 33 -2.895 -2.910 -11.485 257 H LYS 34 H LYS 34 -5.132 -1.388 -7.144 258 HA LYS 34 HA LYS 34 -6.716 -3.487 -6.106 259 1HB LYS 34 1HB LYS 34 -5.378 -1.117 -4.856 260 2HB LYS 34 2HB LYS 34 -6.359 -2.222 -3.900 261 1HG LYS 34 1HG LYS 34 -4.915 -3.934 -4.098 262 2HG LYS 34 2HG LYS 34 -4.201 -3.384 -5.617 263 1HD LYS 34 1HD LYS 34 -3.131 -1.556 -4.345 264 2HD LYS 34 2HD LYS 34 -3.818 -2.242 -2.859 265 1HE LYS 34 1HE LYS 34 -2.587 -4.290 -3.283 266 2HE LYS 34 2HE LYS 34 -1.914 -3.592 -4.747 267 1HZ LYS 34 1HZ LYS 34 -1.556 -2.497 -2.015 268 2HZ LYS 34 2HZ LYS 34 -0.946 -1.846 -3.393 269 3HZ LYS 34 3HZ LYS 34 -0.387 -3.372 -2.881 270 H LYS 35 H LYS 35 -7.426 -0.320 -7.056 271 HA LYS 35 HA LYS 35 -9.733 0.265 -5.582 272 1HB LYS 35 1HB LYS 35 -8.729 2.002 -6.847 273 2HB LYS 35 2HB LYS 35 -8.753 1.052 -8.320 274 1HG LYS 35 1HG LYS 35 -11.186 1.273 -8.421 275 2HG LYS 35 2HG LYS 35 -11.154 2.217 -6.931 276 1HD LYS 35 1HD LYS 35 -9.993 3.992 -7.966 277 2HD LYS 35 2HD LYS 35 -9.615 3.007 -9.384 278 1HE LYS 35 1HE LYS 35 -11.432 4.637 -9.814 279 2HE LYS 35 2HE LYS 35 -11.913 2.963 -10.032 280 1HZ LYS 35 1HZ LYS 35 -13.039 3.004 -7.918 281 2HZ LYS 35 2HZ LYS 35 -13.581 4.327 -8.801 282 3HZ LYS 35 3HZ LYS 35 -12.467 4.536 -7.579 283 H ALA 36 H ALA 36 -9.167 -1.977 -8.171 284 HA ALA 36 HA ALA 36 -11.858 -2.144 -9.043 285 1HB ALA 36 1HB ALA 36 -10.003 -2.705 -10.543 286 2HB ALA 36 2HB ALA 36 -11.107 -4.070 -10.359 287 3HB ALA 36 3HB ALA 36 -9.566 -4.059 -9.500 288 H ARG 37 H ARG 37 -9.752 -4.178 -6.982 289 HA ARG 37 HA ARG 37 -11.968 -5.030 -5.408 290 1HB ARG 37 1HB ARG 37 -12.168 -6.393 -7.554 291 2HB ARG 37 2HB ARG 37 -10.690 -7.189 -7.039 292 1HG ARG 37 1HG ARG 37 -11.766 -7.989 -5.031 293 2HG ARG 37 2HG ARG 37 -13.253 -7.145 -5.472 294 1HD ARG 37 1HD ARG 37 -11.939 -9.415 -6.953 295 2HD ARG 37 2HD ARG 37 -13.469 -9.454 -6.078 296 HE ARG 37 HE ARG 37 -13.670 -7.470 -8.030 297 1HH1 ARG 37 1HH1 ARG 37 -13.456 -10.993 -7.854 298 2HH1 ARG 37 2HH1 ARG 37 -14.117 -11.241 -9.402 299 1HH2 ARG 37 1HH2 ARG 37 -14.577 -7.800 -10.118 300 2HH2 ARG 37 2HH2 ARG 37 -14.792 -9.379 -10.728 301 H ARG 38 H ARG 38 -8.995 -6.696 -6.449 302 HA ARG 38 HA ARG 38 -7.582 -6.042 -4.105 303 1HB ARG 38 1HB ARG 38 -8.977 -7.759 -3.077 304 2HB ARG 38 2HB ARG 38 -8.639 -8.867 -4.391 305 1HG ARG 38 1HG ARG 38 -6.376 -9.155 -3.712 306 2HG ARG 38 2HG ARG 38 -6.494 -7.852 -2.536 307 1HD ARG 38 1HD ARG 38 -6.573 -10.064 -1.471 308 2HD ARG 38 2HD ARG 38 -8.056 -9.161 -1.210 309 HE ARG 38 HE ARG 38 -8.348 -10.776 -3.465 310 1HH1 ARG 38 1HH1 ARG 38 -7.975 -11.164 0.086 311 2HH1 ARG 38 2HH1 ARG 38 -8.915 -12.573 0.130 312 1HH2 ARG 38 1HH2 ARG 38 -9.703 -12.698 -3.297 313 2HH2 ARG 38 2HH2 ARG 38 -9.918 -13.461 -1.795 314 H VAL 39 H VAL 39 -5.597 -5.797 -5.050 315 HA VAL 39 HA VAL 39 -4.775 -7.797 -7.036 316 HB VAL 39 HB VAL 39 -4.484 -4.792 -7.292 317 1HG1 VAL 39 1HG1 VAL 39 -3.455 -5.207 -9.506 318 2HG1 VAL 39 2HG1 VAL 39 -3.521 -6.941 -9.206 319 3HG1 VAL 39 3HG1 VAL 39 -2.486 -5.916 -8.213 320 1HG2 VAL 39 1HG2 VAL 39 -6.037 -6.768 -8.956 321 2HG2 VAL 39 2HG2 VAL 39 -5.889 -5.044 -9.301 322 3HG2 VAL 39 3HG2 VAL 39 -6.709 -5.585 -7.838 323 H VAL 40 H VAL 40 -2.549 -8.165 -7.201 324 HA VAL 40 HA VAL 40 -0.980 -7.284 -4.902 325 HB VAL 40 HB VAL 40 -1.194 -9.756 -5.099 326 1HG1 VAL 40 1HG1 VAL 40 -1.581 -9.980 -7.456 327 2HG1 VAL 40 2HG1 VAL 40 -0.201 -10.971 -6.982 328 3HG1 VAL 40 3HG1 VAL 40 0.057 -9.437 -7.809 329 1HG2 VAL 40 1HG2 VAL 40 0.930 -8.895 -4.194 330 2HG2 VAL 40 2HG2 VAL 40 1.607 -8.866 -5.819 331 3HG2 VAL 40 3HG2 VAL 40 1.171 -10.404 -5.076 332 H HIS 41 H HIS 41 1.147 -6.510 -5.214 333 HA HIS 41 HA HIS 41 1.872 -5.935 -7.950 334 1HB HIS 41 1HB HIS 41 0.781 -3.965 -6.847 335 2HB HIS 41 2HB HIS 41 2.089 -3.960 -5.671 336 HD1 HIS 41 HD1 HIS 41 1.331 -3.022 -9.313 337 HD2 HIS 41 HD2 HIS 41 4.434 -2.745 -6.544 338 HE1 HIS 41 HE1 HIS 41 3.134 -1.732 -10.401 339 H ILE 42 H ILE 42 3.611 -6.975 -8.185 340 HA ILE 42 HA ILE 42 5.285 -7.656 -5.964 341 HB ILE 42 HB ILE 42 5.578 -8.277 -8.927 342 1HG1 ILE 42 1HG1 ILE 42 5.019 -10.675 -8.159 343 2HG1 ILE 42 2HG1 ILE 42 4.412 -9.937 -6.690 344 1HG2 ILE 42 1HG2 ILE 42 7.054 -9.466 -6.566 345 2HG2 ILE 42 2HG2 ILE 42 7.733 -8.378 -7.771 346 3HG2 ILE 42 3HG2 ILE 42 7.220 -9.999 -8.239 347 1HD1 ILE 42 1HD1 ILE 42 2.756 -8.698 -8.012 348 2HD1 ILE 42 2HD1 ILE 42 2.613 -10.440 -8.253 349 3HD1 ILE 42 3HD1 ILE 42 3.385 -9.441 -9.484 350 H LYS 43 H LYS 43 7.234 -6.804 -5.618 351 HA LYS 43 HA LYS 43 8.899 -5.336 -5.547 352 1HB LYS 43 1HB LYS 43 8.286 -4.730 -8.453 353 2HB LYS 43 2HB LYS 43 9.689 -4.125 -7.585 354 1HG LYS 43 1HG LYS 43 10.441 -6.451 -7.273 355 2HG LYS 43 2HG LYS 43 9.060 -6.996 -8.224 356 1HD LYS 43 1HD LYS 43 9.863 -5.741 -10.133 357 2HD LYS 43 2HD LYS 43 11.240 -5.157 -9.191 358 1HE LYS 43 1HE LYS 43 11.933 -7.518 -8.880 359 2HE LYS 43 2HE LYS 43 10.620 -8.010 -9.943 360 1HZ LYS 43 1HZ LYS 43 12.876 -6.237 -10.665 361 2HZ LYS 43 2HZ LYS 43 11.653 -6.711 -11.731 362 3HZ LYS 43 3HZ LYS 43 12.736 -7.851 -11.102 363 HA PRO 44 HA PRO 44 5.809 -1.920 -5.068 364 1HB PRO 44 1HB PRO 44 5.323 -2.037 -2.434 365 2HB PRO 44 2HB PRO 44 4.476 -3.108 -3.561 366 1HG PRO 44 1HG PRO 44 6.898 -3.676 -1.887 367 2HG PRO 44 2HG PRO 44 5.444 -4.668 -2.076 368 1HD PRO 44 1HD PRO 44 7.705 -5.153 -3.463 369 2HD PRO 44 2HD PRO 44 6.088 -5.453 -4.127 370 H GLY 45 H GLY 45 6.147 0.071 -3.706 371 1HA GLY 45 1HA GLY 45 8.648 0.358 -2.342 372 2HA GLY 45 2HA GLY 45 8.635 1.089 -3.949 373 H GLU 46 H GLU 46 6.143 0.793 -1.475 374 HA GLU 46 HA GLU 46 5.989 3.713 -1.462 375 1HB GLU 46 1HB GLU 46 3.668 3.429 -1.519 376 2HB GLU 46 2HB GLU 46 4.212 1.996 -2.220 377 1HG GLU 46 1HG GLU 46 3.551 2.062 0.706 378 2HG GLU 46 2HG GLU 46 2.415 1.601 -0.550 379 H LYS 47 H LYS 47 5.721 4.710 0.480 380 HA LYS 47 HA LYS 47 5.868 3.213 2.953 381 1HB LYS 47 1HB LYS 47 7.314 5.713 3.210 382 2HB LYS 47 2HB LYS 47 7.839 4.139 3.765 383 1HG LYS 47 1HG LYS 47 9.522 4.802 2.308 384 2HG LYS 47 2HG LYS 47 8.488 3.800 1.281 385 1HD LYS 47 1HD LYS 47 7.253 5.955 0.740 386 2HD LYS 47 2HD LYS 47 8.648 6.765 1.441 387 1HE LYS 47 1HE LYS 47 8.845 4.734 -0.697 388 2HE LYS 47 2HE LYS 47 8.669 6.457 -1.024 389 1HZ LYS 47 1HZ LYS 47 11.011 5.745 -1.035 390 2HZ LYS 47 2HZ LYS 47 10.872 5.249 0.578 391 3HZ LYS 47 3HZ LYS 47 10.699 6.881 0.173 392 H ILE 48 H ILE 48 3.849 3.705 2.223 393 HA ILE 48 HA ILE 48 2.876 6.315 2.345 394 HB ILE 48 HB ILE 48 0.618 5.332 2.230 395 1HG1 ILE 48 1HG1 ILE 48 2.029 2.638 2.278 396 2HG1 ILE 48 2HG1 ILE 48 1.067 3.281 3.601 397 1HG2 ILE 48 1HG2 ILE 48 0.902 4.259 0.030 398 2HG2 ILE 48 2HG2 ILE 48 2.634 4.140 0.336 399 3HG2 ILE 48 3HG2 ILE 48 1.870 5.724 0.200 400 1HD1 ILE 48 1HD1 ILE 48 -0.174 1.642 2.291 401 2HD1 ILE 48 2HD1 ILE 48 0.045 2.624 0.842 402 3HD1 ILE 48 3HD1 ILE 48 -0.919 3.237 2.187 403 H LEU 49 H LEU 49 2.888 7.443 3.988 404 HA LEU 49 HA LEU 49 2.321 8.363 5.831 405 1HB LEU 49 1HB LEU 49 1.013 5.842 6.846 406 2HB LEU 49 2HB LEU 49 0.798 7.458 7.467 407 HG LEU 49 HG LEU 49 -1.113 7.358 6.316 408 1HD1 LEU 49 1HD1 LEU 49 -1.089 8.290 4.123 409 2HD1 LEU 49 2HD1 LEU 49 0.643 7.982 4.010 410 3HD1 LEU 49 3HD1 LEU 49 0.026 9.111 5.215 411 1HD2 LEU 49 1HD2 LEU 49 -0.965 5.019 5.773 412 2HD2 LEU 49 2HD2 LEU 49 0.123 5.369 4.433 413 3HD2 LEU 49 3HD2 LEU 49 -1.552 5.910 4.367 414 H GLY 50 H GLY 50 4.051 5.586 5.739 415 1HA GLY 50 1HA GLY 50 6.136 5.298 6.858 416 2HA GLY 50 2HA GLY 50 5.513 6.290 8.188 417 H ALA 51 H ALA 51 2.958 4.635 7.544 418 HA ALA 51 HA ALA 51 3.449 2.012 8.464 419 1HB ALA 51 1HB ALA 51 1.939 2.289 10.448 420 2HB ALA 51 2HB ALA 51 1.983 4.036 10.201 421 3HB ALA 51 3HB ALA 51 3.455 3.170 10.643 422 H ARG 52 H ARG 52 2.078 1.041 7.079 423 HA ARG 52 HA ARG 52 0.193 2.651 5.751 424 1HB ARG 52 1HB ARG 52 -0.604 0.672 4.554 425 2HB ARG 52 2HB ARG 52 1.120 0.931 4.431 426 1HG ARG 52 1HG ARG 52 1.585 -0.925 5.813 427 2HG ARG 52 2HG ARG 52 -0.103 -1.045 6.337 428 1HD ARG 52 1HD ARG 52 0.604 -2.707 4.572 429 2HD ARG 52 2HD ARG 52 -0.819 -1.740 4.190 430 HE ARG 52 HE ARG 52 1.835 -0.966 3.233 431 1HH1 ARG 52 1HH1 ARG 52 -1.529 -1.827 2.498 432 2HH1 ARG 52 2HH1 ARG 52 -1.447 -1.361 0.855 433 1HH2 ARG 52 1HH2 ARG 52 1.994 -0.465 0.965 434 2HH2 ARG 52 2HH2 ARG 52 0.634 -0.505 -0.040 435 H ILE 53 H ILE 53 -1.633 3.162 6.078 436 HA ILE 53 HA ILE 53 -3.470 1.560 7.690 437 HB ILE 53 HB ILE 53 -3.070 4.560 7.881 438 1HG1 ILE 53 1HG1 ILE 53 -2.540 2.409 9.961 439 2HG1 ILE 53 2HG1 ILE 53 -1.324 3.360 9.123 440 1HG2 ILE 53 1HG2 ILE 53 -5.037 2.761 9.340 441 2HG2 ILE 53 2HG2 ILE 53 -5.433 3.946 8.097 442 3HG2 ILE 53 3HG2 ILE 53 -4.819 4.482 9.661 443 1HD1 ILE 53 1HD1 ILE 53 -1.645 4.142 11.396 444 2HD1 ILE 53 2HD1 ILE 53 -3.361 4.406 11.079 445 3HD1 ILE 53 3HD1 ILE 53 -2.151 5.374 10.239 446 H ILE 54 H ILE 54 -5.326 1.374 6.558 447 HA ILE 54 HA ILE 54 -5.491 2.513 3.926 448 HB ILE 54 HB ILE 54 -7.621 1.027 5.511 449 1HG1 ILE 54 1HG1 ILE 54 -5.625 -0.370 5.344 450 2HG1 ILE 54 2HG1 ILE 54 -6.890 -1.008 4.306 451 1HG2 ILE 54 1HG2 ILE 54 -7.376 1.387 2.531 452 2HG2 ILE 54 2HG2 ILE 54 -8.514 2.234 3.576 453 3HG2 ILE 54 3HG2 ILE 54 -8.637 0.486 3.374 454 1HD1 ILE 54 1HD1 ILE 54 -5.767 -0.012 2.365 455 2HD1 ILE 54 2HD1 ILE 54 -4.727 -1.140 3.233 456 3HD1 ILE 54 3HD1 ILE 54 -4.495 0.597 3.426 457 H GLY 55 H GLY 55 -6.994 3.148 7.023 458 1HA GLY 55 1HA GLY 55 -7.675 5.364 7.615 459 2HA GLY 55 2HA GLY 55 -7.963 5.683 5.901 460 H ILE 56 H ILE 56 -9.138 3.269 5.341 461 HA ILE 56 HA ILE 56 -11.812 3.697 6.412 462 HB ILE 56 HB ILE 56 -10.881 1.768 4.266 463 1HG1 ILE 56 1HG1 ILE 56 -12.213 4.476 3.904 464 2HG1 ILE 56 2HG1 ILE 56 -10.540 4.089 3.520 465 1HG2 ILE 56 1HG2 ILE 56 -13.652 2.652 5.090 466 2HG2 ILE 56 2HG2 ILE 56 -12.947 1.049 5.304 467 3HG2 ILE 56 3HG2 ILE 56 -13.299 1.651 3.684 468 1HD1 ILE 56 1HD1 ILE 56 -12.972 2.902 2.208 469 2HD1 ILE 56 2HD1 ILE 56 -11.293 2.535 1.808 470 3HD1 ILE 56 3HD1 ILE 56 -11.931 4.157 1.533 471 HA PRO 57 HA PRO 57 -10.766 0.267 9.144 472 1HB PRO 57 1HB PRO 57 -13.634 0.443 9.832 473 2HB PRO 57 2HB PRO 57 -12.226 0.569 10.892 474 1HG PRO 57 1HG PRO 57 -13.691 2.727 10.310 475 2HG PRO 57 2HG PRO 57 -11.926 2.821 10.450 476 1HD PRO 57 1HD PRO 57 -13.619 2.701 7.983 477 2HD PRO 57 2HD PRO 57 -12.199 3.713 8.349 478 HA PRO 58 HA PRO 58 -12.917 -2.668 6.422 479 1HB PRO 58 1HB PRO 58 -10.759 -4.189 5.897 480 2HB PRO 58 2HB PRO 58 -11.022 -2.636 5.102 481 1HG PRO 58 1HG PRO 58 -8.969 -3.356 7.052 482 2HG PRO 58 2HG PRO 58 -9.105 -1.892 6.068 483 1HD PRO 58 1HD PRO 58 -9.904 -2.330 8.861 484 2HD PRO 58 2HD PRO 58 -9.653 -0.811 7.967 485 H VAL 59 H VAL 59 -12.746 -5.170 6.417 486 HA VAL 59 HA VAL 59 -13.161 -6.118 9.081 487 HB VAL 59 HB VAL 59 -13.036 -7.672 6.471 488 1HG1 VAL 59 1HG1 VAL 59 -14.338 -9.375 7.659 489 2HG1 VAL 59 2HG1 VAL 59 -14.245 -8.415 9.135 490 3HG1 VAL 59 3HG1 VAL 59 -12.777 -9.095 8.429 491 1HG2 VAL 59 1HG2 VAL 59 -15.417 -6.508 7.908 492 2HG2 VAL 59 2HG2 VAL 59 -15.494 -7.548 6.489 493 3HG2 VAL 59 3HG2 VAL 59 -14.752 -5.951 6.372 494 HA PRO 60 HA PRO 60 -8.687 -6.756 9.272 495 1HB PRO 60 1HB PRO 60 -9.102 -7.808 11.960 496 2HB PRO 60 2HB PRO 60 -8.292 -6.324 11.458 497 1HG PRO 60 1HG PRO 60 -10.662 -6.312 12.750 498 2HG PRO 60 2HG PRO 60 -10.229 -5.089 11.543 499 1HD PRO 60 1HD PRO 60 -11.957 -7.511 11.254 500 2HD PRO 60 2HD PRO 60 -12.212 -5.844 10.678 501 H ILE 61 H ILE 61 -9.791 -8.931 7.834 502 HA ILE 61 HA ILE 61 -8.594 -11.185 9.281 503 HB ILE 61 HB ILE 61 -10.690 -11.200 7.065 504 1HG1 ILE 61 1HG1 ILE 61 -10.916 -12.007 9.972 505 2HG1 ILE 61 2HG1 ILE 61 -11.572 -10.537 9.273 506 1HG2 ILE 61 1HG2 ILE 61 -10.805 -13.644 7.397 507 2HG2 ILE 61 2HG2 ILE 61 -9.489 -13.542 8.566 508 3HG2 ILE 61 3HG2 ILE 61 -9.193 -13.147 6.873 509 1HD1 ILE 61 1HD1 ILE 61 -12.405 -13.353 8.598 510 2HD1 ILE 61 2HD1 ILE 61 -13.076 -11.886 7.884 511 3HD1 ILE 61 3HD1 ILE 61 -13.299 -12.213 9.604 512 H GLY 62 H GLY 62 -7.142 -12.566 7.904 513 1HA GLY 62 1HA GLY 62 -6.499 -12.361 5.326 514 2HA GLY 62 2HA GLY 62 -5.843 -10.868 5.994 515 H ILE 63 H ILE 63 -4.123 -12.488 4.766 516 HA ILE 63 HA ILE 63 -2.661 -13.680 7.000 517 HB ILE 63 HB ILE 63 -2.496 -14.532 4.093 518 1HG1 ILE 63 1HG1 ILE 63 -3.835 -15.961 6.401 519 2HG1 ILE 63 2HG1 ILE 63 -4.685 -15.105 5.120 520 1HG2 ILE 63 1HG2 ILE 63 -1.360 -15.775 6.610 521 2HG2 ILE 63 2HG2 ILE 63 -0.440 -14.893 5.397 522 3HG2 ILE 63 3HG2 ILE 63 -1.203 -16.429 4.978 523 1HD1 ILE 63 1HD1 ILE 63 -2.924 -17.511 4.781 524 2HD1 ILE 63 2HD1 ILE 63 -3.760 -16.660 3.483 525 3HD1 ILE 63 3HD1 ILE 63 -4.686 -17.491 4.733 526 H ASP 64 H ASP 64 -1.523 -11.799 7.415 527 HA ASP 64 HA ASP 64 0.037 -10.586 5.276 528 1HB ASP 64 1HB ASP 64 -0.175 -9.880 8.221 529 2HB ASP 64 2HB ASP 64 0.829 -9.015 7.067 530 H GLU 65 H GLU 65 1.639 -11.843 4.724 531 HA GLU 65 HA GLU 65 3.026 -13.495 6.618 532 1HB GLU 65 1HB GLU 65 3.367 -13.030 3.669 533 2HB GLU 65 2HB GLU 65 4.338 -14.163 4.600 534 1HG GLU 65 1HG GLU 65 1.347 -14.293 4.424 535 2HG GLU 65 2HG GLU 65 2.424 -15.155 3.329 536 H GLU 66 H GLU 66 4.255 -11.253 4.196 537 HA GLU 66 HA GLU 66 5.885 -9.835 6.010 538 1HB GLU 66 1HB GLU 66 7.209 -11.944 5.872 539 2HB GLU 66 2HB GLU 66 7.188 -11.853 4.124 540 1HG GLU 66 1HG GLU 66 9.361 -11.238 5.153 541 2HG GLU 66 2HG GLU 66 8.685 -9.967 4.147 542 H ARG 67 H ARG 67 7.321 -8.412 4.596 543 HA ARG 67 HA ARG 67 5.682 -7.017 2.709 544 1HB ARG 67 1HB ARG 67 7.679 -6.350 4.377 545 2HB ARG 67 2HB ARG 67 8.622 -6.625 2.940 546 1HG ARG 67 1HG ARG 67 6.400 -4.624 3.247 547 2HG ARG 67 2HG ARG 67 8.125 -4.284 3.225 548 1HD ARG 67 1HD ARG 67 8.090 -5.371 0.918 549 2HD ARG 67 2HD ARG 67 6.341 -5.170 0.981 550 HE ARG 67 HE ARG 67 8.369 -3.109 0.787 551 1HH1 ARG 67 1HH1 ARG 67 4.871 -3.656 1.287 552 2HH1 ARG 67 2HH1 ARG 67 4.496 -2.034 0.835 553 1HH2 ARG 67 1HH2 ARG 67 7.721 -0.922 0.207 554 2HH2 ARG 67 2HH2 ARG 67 6.048 -0.590 0.192 555 H SER 68 H SER 68 8.224 -9.334 2.650 556 HA SER 68 HA SER 68 8.616 -9.138 -0.207 557 1HB SER 68 1HB SER 68 10.135 -10.665 1.891 558 2HB SER 68 2HB SER 68 10.632 -10.379 0.214 559 HG SER 68 HG SER 68 11.300 -8.545 0.732 560 H THR 69 H THR 69 6.318 -10.233 0.969 561 HA THR 69 HA THR 69 6.227 -12.843 -0.315 562 HB THR 69 HB THR 69 5.208 -12.490 2.520 563 HG1 THR 69 HG1 THR 69 7.724 -13.426 1.591 564 1HG2 THR 69 1HG2 THR 69 5.162 -14.955 2.532 565 2HG2 THR 69 2HG2 THR 69 5.790 -14.973 0.885 566 3HG2 THR 69 3HG2 THR 69 4.188 -14.308 1.211 567 H VAL 70 H VAL 70 3.865 -13.370 -0.642 568 HA VAL 70 HA VAL 70 2.421 -10.929 -1.055 569 HB VAL 70 HB VAL 70 0.582 -12.286 -1.949 570 1HG1 VAL 70 1HG1 VAL 70 3.260 -13.043 -3.066 571 2HG1 VAL 70 2HG1 VAL 70 2.286 -11.631 -3.483 572 3HG1 VAL 70 3HG1 VAL 70 1.717 -13.248 -3.892 573 1HG2 VAL 70 1HG2 VAL 70 2.283 -14.676 -1.248 574 2HG2 VAL 70 2HG2 VAL 70 0.834 -14.720 -2.248 575 3HG2 VAL 70 3HG2 VAL 70 0.720 -14.256 -0.551 576 H MET 71 H MET 71 1.478 -9.909 0.385 577 HA MET 71 HA MET 71 0.306 -11.345 2.615 578 1HB MET 71 1HB MET 71 -0.115 -9.080 3.617 579 2HB MET 71 2HB MET 71 1.581 -9.367 3.276 580 1HG MET 71 1HG MET 71 1.425 -7.968 1.285 581 2HG MET 71 2HG MET 71 -0.294 -7.731 1.575 582 1HE MET 71 1HE MET 71 3.321 -7.126 2.907 583 2HE MET 71 2HE MET 71 2.550 -7.796 4.352 584 3HE MET 71 3HE MET 71 3.044 -6.106 4.313 585 H ILE 72 H ILE 72 -1.502 -12.302 1.918 586 HA ILE 72 HA ILE 72 -3.307 -10.692 0.295 587 HB ILE 72 HB ILE 72 -3.426 -13.699 0.757 588 1HG1 ILE 72 1HG1 ILE 72 -2.409 -12.164 -1.653 589 2HG1 ILE 72 2HG1 ILE 72 -1.394 -13.039 -0.514 590 1HG2 ILE 72 1HG2 ILE 72 -4.857 -11.916 -1.234 591 2HG2 ILE 72 2HG2 ILE 72 -5.586 -12.635 0.197 592 3HG2 ILE 72 3HG2 ILE 72 -5.022 -13.669 -1.118 593 1HD1 ILE 72 1HD1 ILE 72 -3.466 -14.244 -2.339 594 2HD1 ILE 72 2HD1 ILE 72 -2.459 -15.137 -1.197 595 3HD1 ILE 72 3HD1 ILE 72 -1.717 -14.301 -2.560 596 HA PRO 73 HA PRO 73 -5.440 -10.816 4.157 597 1HB PRO 73 1HB PRO 73 -6.315 -8.219 4.066 598 2HB PRO 73 2HB PRO 73 -4.766 -8.729 4.739 599 1HG PRO 73 1HG PRO 73 -5.251 -7.187 2.355 600 2HG PRO 73 2HG PRO 73 -3.699 -7.641 3.073 601 1HD PRO 73 1HD PRO 73 -5.149 -8.875 0.826 602 2HD PRO 73 2HD PRO 73 -3.432 -8.982 1.278 603 H TYR 74 H TYR 74 -7.634 -10.213 4.749 604 HA TYR 74 HA TYR 74 -9.533 -10.390 2.552 605 1HB TYR 74 1HB TYR 74 -9.126 -12.526 3.963 606 2HB TYR 74 2HB TYR 74 -9.798 -11.598 5.299 607 HD1 TYR 74 HD1 TYR 74 -10.615 -12.654 1.835 608 HD2 TYR 74 HD2 TYR 74 -12.109 -11.712 5.699 609 HE1 TYR 74 HE1 TYR 74 -12.850 -13.342 1.133 610 HE2 TYR 74 HE2 TYR 74 -14.355 -12.401 5.002 611 HH TYR 74 HH TYR 74 -15.570 -12.514 2.753 612 H THR 75 H THR 75 -8.505 -8.117 3.416 613 HA THR 75 HA THR 75 -10.245 -7.122 5.424 614 HB THR 75 HB THR 75 -8.841 -5.033 5.035 615 HG1 THR 75 HG1 THR 75 -6.605 -5.962 4.272 616 1HG2 THR 75 1HG2 THR 75 -6.987 -5.861 6.455 617 2HG2 THR 75 2HG2 THR 75 -7.497 -7.517 6.121 618 3HG2 THR 75 3HG2 THR 75 -8.559 -6.432 7.015 619 H LYS 76 H LYS 76 -12.091 -6.427 4.648 620 HA LYS 76 HA LYS 76 -12.174 -5.458 1.892 621 1HB LYS 76 1HB LYS 76 -13.716 -7.307 2.423 622 2HB LYS 76 2HB LYS 76 -14.497 -6.287 3.630 623 1HG LYS 76 1HG LYS 76 -15.121 -4.691 1.859 624 2HG LYS 76 2HG LYS 76 -14.377 -5.747 0.662 625 1HD LYS 76 1HD LYS 76 -16.732 -6.132 0.611 626 2HD LYS 76 2HD LYS 76 -15.976 -7.529 1.368 627 1HE LYS 76 1HE LYS 76 -17.997 -6.900 2.558 628 2HE LYS 76 2HE LYS 76 -16.589 -6.652 3.586 629 1HZ LYS 76 1HZ LYS 76 -17.999 -4.499 2.074 630 2HZ LYS 76 2HZ LYS 76 -16.732 -4.284 3.186 631 3HZ LYS 76 3HZ LYS 76 -18.203 -4.834 3.701 632 HA PRO 77 HA PRO 77 -13.126 -1.571 3.875 633 1HB PRO 77 1HB PRO 77 -11.558 -0.080 2.132 634 2HB PRO 77 2HB PRO 77 -10.975 -0.761 3.651 635 1HG PRO 77 1HG PRO 77 -10.196 -1.493 0.998 636 2HG PRO 77 2HG PRO 77 -9.666 -2.218 2.522 637 1HD PRO 77 1HD PRO 77 -11.746 -3.138 0.618 638 2HD PRO 77 2HD PRO 77 -10.762 -4.066 1.774 639 H CYS 78 H CYS 78 -13.497 0.662 2.279 640 HA CYS 78 HA CYS 78 -15.509 -0.259 0.393 641 1HB CYS 78 1HB CYS 78 -16.185 1.317 2.190 642 2HB CYS 78 2HB CYS 78 -15.022 2.483 1.590 643 HG CYS 78 HG CYS 78 -16.341 2.589 -0.923 644 H TYR 79 H TYR 79 -12.479 0.023 0.167 645 HA TYR 79 HA TYR 79 -12.435 1.499 -2.371 646 1HB TYR 79 1HB TYR 79 -10.954 2.515 -0.643 647 2HB TYR 79 2HB TYR 79 -10.109 0.988 -0.473 648 HD1 TYR 79 HD1 TYR 79 -8.272 0.475 -1.898 649 HD2 TYR 79 HD2 TYR 79 -10.825 3.738 -2.847 650 HE1 TYR 79 HE1 TYR 79 -6.698 1.186 -3.649 651 HE2 TYR 79 HE2 TYR 79 -9.256 4.461 -4.604 652 HH TYR 79 HH TYR 79 -6.667 2.490 -5.676 653 H GLY 80 H GLY 80 -10.129 -0.888 -0.990 654 1HA GLY 80 1HA GLY 80 -11.023 -3.106 -2.410 655 2HA GLY 80 2HA GLY 80 -9.753 -2.293 -3.327 656 H THR 81 H THR 81 -9.301 -4.813 -2.343 657 HA THR 81 HA THR 81 -7.866 -4.487 0.154 658 HB THR 81 HB THR 81 -8.198 -6.992 -1.494 659 HG1 THR 81 HG1 THR 81 -9.875 -6.161 0.663 660 1HG2 THR 81 1HG2 THR 81 -6.542 -7.097 0.315 661 2HG2 THR 81 2HG2 THR 81 -7.935 -8.114 0.700 662 3HG2 THR 81 3HG2 THR 81 -7.753 -6.538 1.466 663 H ALA 82 H ALA 82 -5.630 -5.154 0.282 664 HA ALA 82 HA ALA 82 -4.285 -4.617 -2.255 665 1HB ALA 82 1HB ALA 82 -2.650 -3.398 -0.956 666 2HB ALA 82 2HB ALA 82 -3.605 -3.688 0.501 667 3HB ALA 82 3HB ALA 82 -4.276 -2.735 -0.825 668 H VAL 83 H VAL 83 -2.669 -6.022 -2.785 669 HA VAL 83 HA VAL 83 -1.381 -7.627 -0.684 670 HB VAL 83 HB VAL 83 -1.834 -8.476 -3.569 671 1HG1 VAL 83 1HG1 VAL 83 -1.194 -10.691 -2.809 672 2HG1 VAL 83 2HG1 VAL 83 -1.015 -10.084 -1.165 673 3HG1 VAL 83 3HG1 VAL 83 0.066 -9.515 -2.431 674 1HG2 VAL 83 1HG2 VAL 83 -3.468 -9.297 -1.168 675 2HG2 VAL 83 2HG2 VAL 83 -3.558 -10.053 -2.757 676 3HG2 VAL 83 3HG2 VAL 83 -4.031 -8.365 -2.555 677 H VAL 84 H VAL 84 0.826 -7.363 -0.726 678 HA VAL 84 HA VAL 84 2.071 -6.249 -3.144 679 HB VAL 84 HB VAL 84 3.524 -4.716 -1.792 680 1HG1 VAL 84 1HG1 VAL 84 1.955 -3.106 -0.977 681 2HG1 VAL 84 2HG1 VAL 84 0.660 -4.298 -1.098 682 3HG1 VAL 84 3HG1 VAL 84 1.501 -3.756 -2.551 683 1HG2 VAL 84 1HG2 VAL 84 3.211 -4.427 0.610 684 2HG2 VAL 84 2HG2 VAL 84 3.672 -6.093 0.249 685 3HG2 VAL 84 3HG2 VAL 84 1.995 -5.704 0.622 686 H GLU 85 H GLU 85 4.201 -7.056 -3.500 687 HA GLU 85 HA GLU 85 5.313 -8.845 -1.509 688 1HB GLU 85 1HB GLU 85 3.899 -10.366 -2.820 689 2HB GLU 85 2HB GLU 85 4.659 -9.808 -4.309 690 1HG GLU 85 1HG GLU 85 6.837 -10.622 -3.434 691 2HG GLU 85 2HG GLU 85 5.976 -11.283 -2.049 692 H LEU 86 H LEU 86 7.330 -8.217 -1.360 693 HA LEU 86 HA LEU 86 8.651 -7.069 -3.692 694 1HB LEU 86 1HB LEU 86 8.712 -5.936 -1.440 695 2HB LEU 86 2HB LEU 86 9.622 -7.300 -0.832 696 HG LEU 86 HG LEU 86 11.331 -6.749 -2.631 697 1HD1 LEU 86 1HD1 LEU 86 11.421 -4.420 -3.359 698 2HD1 LEU 86 2HD1 LEU 86 9.801 -4.176 -2.702 699 3HD1 LEU 86 3HD1 LEU 86 10.062 -5.321 -4.017 700 1HD2 LEU 86 1HD2 LEU 86 12.380 -4.991 -1.231 701 2HD2 LEU 86 2HD2 LEU 86 11.783 -6.361 -0.301 702 3HD2 LEU 86 3HD2 LEU 86 10.866 -4.857 -0.334 703 HA PRO 87 HA PRO 87 10.652 -11.145 -4.029 704 1HB PRO 87 1HB PRO 87 12.326 -10.631 -6.085 705 2HB PRO 87 2HB PRO 87 10.586 -10.827 -6.328 706 1HG PRO 87 1HG PRO 87 12.200 -8.318 -6.146 707 2HG PRO 87 2HG PRO 87 10.877 -8.723 -7.253 708 1HD PRO 87 1HD PRO 87 10.555 -7.174 -5.022 709 2HD PRO 87 2HD PRO 87 9.257 -8.163 -5.719 710 H VAL 88 H VAL 88 12.009 -8.278 -3.129 711 HA VAL 88 HA VAL 88 14.700 -9.339 -2.614 712 HB VAL 88 HB VAL 88 13.730 -6.531 -2.107 713 1HG1 VAL 88 1HG1 VAL 88 16.100 -5.924 -2.390 714 2HG1 VAL 88 2HG1 VAL 88 16.479 -7.630 -2.606 715 3HG1 VAL 88 3HG1 VAL 88 15.825 -7.059 -1.066 716 1HG2 VAL 88 1HG2 VAL 88 14.625 -5.835 -4.305 717 2HG2 VAL 88 2HG2 VAL 88 13.265 -6.946 -4.459 718 3HG2 VAL 88 3HG2 VAL 88 14.910 -7.530 -4.703 719 H ASP 89 H ASP 89 15.464 -9.038 -0.386 720 HA ASP 89 HA ASP 89 13.573 -9.881 1.522 721 1HB ASP 89 1HB ASP 89 16.397 -8.873 1.875 722 2HB ASP 89 2HB ASP 89 15.455 -9.612 3.166 723 HA PRO 90 HA PRO 90 11.646 -6.279 3.146 724 1HB PRO 90 1HB PRO 90 11.650 -6.787 5.846 725 2HB PRO 90 2HB PRO 90 10.527 -7.528 4.701 726 1HG PRO 90 1HG PRO 90 13.062 -8.620 5.854 727 2HG PRO 90 2HG PRO 90 11.505 -9.431 5.610 728 1HD PRO 90 1HD PRO 90 13.544 -9.820 3.938 729 2HD PRO 90 2HD PRO 90 11.875 -9.726 3.335 730 H GLU 91 H GLU 91 14.799 -7.065 4.151 731 HA GLU 91 HA GLU 91 15.469 -4.958 5.854 732 1HB GLU 91 1HB GLU 91 17.799 -5.353 5.131 733 2HB GLU 91 2HB GLU 91 16.961 -6.835 5.554 734 1HG GLU 91 1HG GLU 91 16.567 -7.259 3.164 735 2HG GLU 91 2HG GLU 91 17.484 -5.823 2.764 736 H GLU 92 H GLU 92 14.929 -4.982 2.433 737 HA GLU 92 HA GLU 92 16.299 -2.497 1.937 738 1HB GLU 92 1HB GLU 92 14.443 -4.189 0.308 739 2HB GLU 92 2HB GLU 92 14.844 -2.558 -0.210 740 1HG GLU 92 1HG GLU 92 16.821 -4.764 0.304 741 2HG GLU 92 2HG GLU 92 16.235 -4.237 -1.278 742 H ILE 93 H ILE 93 13.208 -3.489 2.967 743 HA ILE 93 HA ILE 93 11.990 -0.993 2.334 744 HB ILE 93 HB ILE 93 10.930 -3.311 3.976 745 1HG1 ILE 93 1HG1 ILE 93 11.394 -3.943 1.695 746 2HG1 ILE 93 2HG1 ILE 93 9.655 -3.824 1.910 747 1HG2 ILE 93 1HG2 ILE 93 9.459 -0.931 2.808 748 2HG2 ILE 93 2HG2 ILE 93 9.787 -1.183 4.520 749 3HG2 ILE 93 3HG2 ILE 93 8.711 -2.285 3.659 750 1HD1 ILE 93 1HD1 ILE 93 10.266 -2.872 -0.225 751 2HD1 ILE 93 2HD1 ILE 93 11.460 -1.836 0.532 752 3HD1 ILE 93 3HD1 ILE 93 9.744 -1.565 0.841 753 H GLU 94 H GLU 94 13.638 -2.415 5.017 754 HA GLU 94 HA GLU 94 12.811 -0.536 6.962 755 1HB GLU 94 1HB GLU 94 15.425 -2.052 6.731 756 2HB GLU 94 2HB GLU 94 14.864 -1.215 8.174 757 1HG GLU 94 1HG GLU 94 13.566 -3.584 6.857 758 2HG GLU 94 2HG GLU 94 14.470 -3.588 8.371 759 H ARG 95 H ARG 95 15.297 -0.632 4.576 760 HA ARG 95 HA ARG 95 16.684 1.790 5.070 761 1HB ARG 95 1HB ARG 95 17.636 0.120 3.636 762 2HB ARG 95 2HB ARG 95 16.201 0.086 2.628 763 1HG ARG 95 1HG ARG 95 16.774 2.483 2.002 764 2HG ARG 95 2HG ARG 95 18.343 2.178 2.757 765 1HD ARG 95 1HD ARG 95 18.770 0.348 1.256 766 2HD ARG 95 2HD ARG 95 17.143 0.472 0.589 767 HE ARG 95 HE ARG 95 18.806 2.817 0.382 768 1HH1 ARG 95 1HH1 ARG 95 17.700 -0.159 -1.281 769 2HH1 ARG 95 2HH1 ARG 95 17.922 0.486 -2.830 770 1HH2 ARG 95 1HH2 ARG 95 19.145 3.636 -1.793 771 2HH2 ARG 95 2HH2 ARG 95 18.794 2.652 -3.137 772 H ILE 96 H ILE 96 14.006 0.927 2.975 773 HA ILE 96 HA ILE 96 13.629 3.546 1.927 774 HB ILE 96 HB ILE 96 12.022 0.994 1.751 775 1HG1 ILE 96 1HG1 ILE 96 13.743 2.425 -0.278 776 2HG1 ILE 96 2HG1 ILE 96 14.193 0.987 0.628 777 1HG2 ILE 96 1HG2 ILE 96 11.498 3.554 0.252 778 2HG2 ILE 96 2HG2 ILE 96 10.460 2.844 1.490 779 3HG2 ILE 96 3HG2 ILE 96 10.700 2.008 -0.045 780 1HD1 ILE 96 1HD1 ILE 96 11.977 1.178 -1.404 781 2HD1 ILE 96 2HD1 ILE 96 12.429 -0.271 -0.505 782 3HD1 ILE 96 3HD1 ILE 96 13.561 0.443 -1.652 783 H LEU 97 H LEU 97 12.472 1.927 4.733 784 HA LEU 97 HA LEU 97 10.206 3.575 5.236 785 1HB LEU 97 1HB LEU 97 10.569 1.310 6.228 786 2HB LEU 97 2HB LEU 97 11.895 1.963 7.162 787 HG LEU 97 HG LEU 97 10.283 3.454 8.330 788 1HD1 LEU 97 1HD1 LEU 97 8.226 1.861 6.813 789 2HD1 LEU 97 2HD1 LEU 97 8.552 3.586 6.639 790 3HD1 LEU 97 3HD1 LEU 97 7.886 2.962 8.144 791 1HD2 LEU 97 1HD2 LEU 97 9.285 1.692 9.710 792 2HD2 LEU 97 2HD2 LEU 97 10.968 1.332 9.321 793 3HD2 LEU 97 3HD2 LEU 97 9.670 0.502 8.464 794 H GLU 98 H GLU 98 13.603 3.754 5.784 795 HA GLU 98 HA GLU 98 13.645 5.911 7.664 796 1HB GLU 98 1HB GLU 98 15.501 4.230 7.089 797 2HB GLU 98 2HB GLU 98 15.703 5.136 5.605 798 1HG GLU 98 1HG GLU 98 17.388 5.834 7.142 799 2HG GLU 98 2HG GLU 98 16.228 7.145 6.934 800 H VAL 99 H VAL 99 13.344 5.453 4.307 801 HA VAL 99 HA VAL 99 13.662 8.271 3.608 802 HB VAL 99 HB VAL 99 13.537 5.784 1.861 803 1HG1 VAL 99 1HG1 VAL 99 14.395 8.607 1.122 804 2HG1 VAL 99 2HG1 VAL 99 12.900 7.826 0.606 805 3HG1 VAL 99 3HG1 VAL 99 14.453 7.205 0.050 806 1HG2 VAL 99 1HG2 VAL 99 15.929 7.388 2.737 807 2HG2 VAL 99 2HG2 VAL 99 15.962 6.068 1.567 808 3HG2 VAL 99 3HG2 VAL 99 15.502 5.753 3.241 809 H ALA 100 H ALA 100 11.315 6.836 4.917 810 HA ALA 100 HA ALA 100 9.110 6.592 3.314 811 1HB ALA 100 1HB ALA 100 9.131 7.552 6.159 812 2HB ALA 100 2HB ALA 100 9.212 5.867 5.645 813 3HB ALA 100 3HB ALA 100 7.769 6.827 5.304 814 H GLU 101 H GLU 101 10.187 9.486 5.012 815 HA GLU 101 HA GLU 101 7.984 10.958 3.873 816 1HB GLU 101 1HB GLU 101 10.010 11.826 5.911 817 2HB GLU 101 2HB GLU 101 8.631 12.772 5.376 818 1HG GLU 101 1HG GLU 101 7.110 11.134 6.297 819 2HG GLU 101 2HG GLU 101 8.463 10.099 6.743 820 HA PRO 102 HA PRO 102 12.202 13.395 2.492 821 1HB PRO 102 1HB PRO 102 12.987 10.753 1.331 822 2HB PRO 102 2HB PRO 102 14.010 12.188 1.576 823 1HG PRO 102 1HG PRO 102 14.010 10.296 3.399 824 2HG PRO 102 2HG PRO 102 13.923 11.995 3.893 825 1HD PRO 102 1HD PRO 102 11.802 9.923 3.945 826 2HD PRO 102 2HD PRO 102 12.000 11.368 4.957 Start of MODEL 7 1 H HIS 1 H HIS 1 6.096 7.978 -10.912 2 HA HIS 1 HA HIS 1 3.201 8.395 -11.219 3 1HB HIS 1 1HB HIS 1 4.819 5.997 -10.304 4 2HB HIS 1 2HB HIS 1 3.084 6.151 -10.099 5 HD1 HIS 1 HD1 HIS 1 5.681 5.204 -12.628 6 HD2 HIS 1 HD2 HIS 1 1.583 5.935 -12.475 7 HE1 HIS 1 HE1 HIS 1 4.731 4.259 -14.731 8 H MET 2 H MET 2 2.180 9.108 -9.450 9 HA MET 2 HA MET 2 2.953 8.629 -6.812 10 1HB MET 2 1HB MET 2 3.363 10.930 -6.097 11 2HB MET 2 2HB MET 2 4.674 10.291 -7.087 12 1HG MET 2 1HG MET 2 3.796 11.564 -9.000 13 2HG MET 2 2HG MET 2 2.499 12.185 -7.983 14 1HE MET 2 1HE MET 2 3.142 14.678 -8.675 15 2HE MET 2 2HE MET 2 4.413 14.030 -9.707 16 3HE MET 2 3HE MET 2 4.779 15.328 -8.570 17 H THR 3 H THR 3 1.269 8.884 -5.560 18 HA THR 3 HA THR 3 -0.786 10.773 -6.291 19 HB THR 3 HB THR 3 -1.339 7.835 -5.931 20 HG1 THR 3 HG1 THR 3 -0.922 9.457 -8.108 21 1HG2 THR 3 1HG2 THR 3 -3.241 10.130 -6.501 22 2HG2 THR 3 2HG2 THR 3 -3.133 9.240 -4.987 23 3HG2 THR 3 3HG2 THR 3 -3.711 8.432 -6.438 24 H PHE 4 H PHE 4 -1.546 11.702 -4.566 25 HA PHE 4 HA PHE 4 -0.999 10.523 -1.952 26 1HB PHE 4 1HB PHE 4 -1.200 13.436 -2.720 27 2HB PHE 4 2HB PHE 4 -0.779 12.793 -1.123 28 HD1 PHE 4 HD1 PHE 4 1.409 11.857 -0.696 29 HD2 PHE 4 HD2 PHE 4 0.407 13.281 -4.575 30 HE1 PHE 4 HE1 PHE 4 3.761 11.664 -1.377 31 HE2 PHE 4 HE2 PHE 4 2.756 13.096 -5.256 32 HZ PHE 4 HZ PHE 4 4.429 12.266 -3.664 33 H CYS 5 H CYS 5 -3.388 10.986 -4.098 34 HA CYS 5 HA CYS 5 -5.491 11.950 -2.386 35 1HB CYS 5 1HB CYS 5 -5.523 10.725 -5.153 36 2HB CYS 5 2HB CYS 5 -6.902 11.447 -4.338 37 HG CYS 5 HG CYS 5 -4.138 13.338 -4.876 38 H LEU 6 H LEU 6 -6.137 10.674 -0.862 39 HA LEU 6 HA LEU 6 -6.299 7.842 -1.446 40 1HB LEU 6 1HB LEU 6 -6.431 7.501 1.017 41 2HB LEU 6 2HB LEU 6 -4.938 8.232 0.494 42 HG LEU 6 HG LEU 6 -6.165 10.444 1.194 43 1HD1 LEU 6 1HD1 LEU 6 -7.510 8.419 2.996 44 2HD1 LEU 6 2HD1 LEU 6 -8.313 9.416 1.786 45 3HD1 LEU 6 3HD1 LEU 6 -7.568 10.173 3.194 46 1HD2 LEU 6 1HD2 LEU 6 -4.139 9.842 2.172 47 2HD2 LEU 6 2HD2 LEU 6 -4.892 8.495 3.029 48 3HD2 LEU 6 3HD2 LEU 6 -5.261 10.152 3.496 49 H GLU 7 H GLU 7 -8.030 10.575 -0.160 50 HA GLU 7 HA GLU 7 -10.443 9.271 0.468 51 1HB GLU 7 1HB GLU 7 -9.714 11.224 1.635 52 2HB GLU 7 2HB GLU 7 -9.664 12.176 0.181 53 1HG GLU 7 1HG GLU 7 -12.136 11.983 0.058 54 2HG GLU 7 2HG GLU 7 -12.099 11.122 1.601 55 H THR 8 H THR 8 -9.138 10.121 -2.471 56 HA THR 8 HA THR 8 -11.502 10.800 -3.805 57 HB THR 8 HB THR 8 -10.040 10.052 -5.819 58 HG1 THR 8 HG1 THR 8 -8.316 9.038 -5.203 59 1HG2 THR 8 1HG2 THR 8 -8.730 12.133 -5.689 60 2HG2 THR 8 2HG2 THR 8 -9.106 12.260 -3.971 61 3HG2 THR 8 3HG2 THR 8 -10.393 12.402 -5.167 62 H TYR 9 H TYR 9 -9.942 7.882 -2.777 63 HA TYR 9 HA TYR 9 -11.360 6.135 -4.534 64 1HB TYR 9 1HB TYR 9 -9.559 5.659 -2.182 65 2HB TYR 9 2HB TYR 9 -10.360 4.332 -3.022 66 HD1 TYR 9 HD1 TYR 9 -7.579 6.614 -3.052 67 HD2 TYR 9 HD2 TYR 9 -9.976 4.112 -5.510 68 HE1 TYR 9 HE1 TYR 9 -5.866 6.703 -4.815 69 HE2 TYR 9 HE2 TYR 9 -8.272 4.184 -7.265 70 HH TYR 9 HH TYR 9 -5.173 5.331 -6.749 71 H LEU 10 H LEU 10 -11.790 7.365 -1.351 72 HA LEU 10 HA LEU 10 -13.756 5.709 -0.338 73 1HB LEU 10 1HB LEU 10 -12.776 7.437 1.002 74 2HB LEU 10 2HB LEU 10 -13.284 8.672 -0.118 75 HG LEU 10 HG LEU 10 -15.629 8.315 0.538 76 1HD1 LEU 10 1HD1 LEU 10 -14.519 6.434 2.606 77 2HD1 LEU 10 2HD1 LEU 10 -15.474 5.975 1.197 78 3HD1 LEU 10 3HD1 LEU 10 -16.185 6.982 2.456 79 1HD2 LEU 10 1HD2 LEU 10 -15.465 9.318 2.748 80 2HD2 LEU 10 2HD2 LEU 10 -14.282 10.022 1.644 81 3HD2 LEU 10 3HD2 LEU 10 -13.775 8.835 2.848 82 H GLN 11 H GLN 11 -13.900 8.414 -2.489 83 HA GLN 11 HA GLN 11 -16.739 8.658 -2.706 84 1HB GLN 11 1HB GLN 11 -14.523 9.743 -4.423 85 2HB GLN 11 2HB GLN 11 -16.187 10.320 -4.375 86 1HG GLN 11 1HG GLN 11 -15.924 11.130 -2.153 87 2HG GLN 11 2HG GLN 11 -14.367 10.328 -1.984 88 1HE2 GLN 11 1HE2 GLN 11 -13.272 12.118 -1.513 89 2HE2 GLN 11 2HE2 GLN 11 -12.955 13.419 -2.594 90 H GLN 12 H GLN 12 -14.455 6.577 -4.071 91 HA GLN 12 HA GLN 12 -16.032 6.183 -6.470 92 1HB GLN 12 1HB GLN 12 -13.288 5.181 -5.760 93 2HB GLN 12 2HB GLN 12 -14.131 4.780 -7.250 94 1HG GLN 12 1HG GLN 12 -14.186 7.130 -7.868 95 2HG GLN 12 2HG GLN 12 -13.381 7.551 -6.359 96 1HE2 GLN 12 1HE2 GLN 12 -12.577 7.972 -9.108 97 2HE2 GLN 12 2HE2 GLN 12 -11.034 7.225 -9.280 98 H SER 13 H SER 13 -15.061 4.538 -3.542 99 HA SER 13 HA SER 13 -17.148 2.587 -3.942 100 1HB SER 13 1HB SER 13 -14.258 1.656 -3.723 101 2HB SER 13 2HB SER 13 -15.672 0.604 -3.660 102 HG SER 13 HG SER 13 -15.995 2.000 -5.775 103 H GLY 14 H GLY 14 -14.190 2.913 -2.027 104 1HA GLY 14 1HA GLY 14 -15.536 3.602 0.342 105 2HA GLY 14 2HA GLY 14 -15.021 1.907 0.334 106 H GLU 15 H GLU 15 -13.828 3.698 2.079 107 HA GLU 15 HA GLU 15 -11.447 4.623 0.753 108 1HB GLU 15 1HB GLU 15 -12.593 5.980 2.477 109 2HB GLU 15 2HB GLU 15 -12.224 4.786 3.696 110 1HG GLU 15 1HG GLU 15 -10.727 6.691 3.762 111 2HG GLU 15 2HG GLU 15 -9.854 5.205 3.371 112 H TYR 16 H TYR 16 -9.343 3.895 1.284 113 HA TYR 16 HA TYR 16 -9.240 1.193 2.498 114 1HB TYR 16 1HB TYR 16 -9.322 1.070 -0.012 115 2HB TYR 16 2HB TYR 16 -7.848 2.022 -0.076 116 HD1 TYR 16 HD1 TYR 16 -9.214 -1.146 1.267 117 HD2 TYR 16 HD2 TYR 16 -5.761 0.903 -0.124 118 HE1 TYR 16 HE1 TYR 16 -7.942 -3.222 1.390 119 HE2 TYR 16 HE2 TYR 16 -4.467 -1.193 -0.003 120 HH TYR 16 HH TYR 16 -6.030 -4.149 0.321 121 H GLU 17 H GLU 17 -8.522 3.951 3.277 122 HA GLU 17 HA GLU 17 -5.773 3.659 4.079 123 1HB GLU 17 1HB GLU 17 -6.876 6.029 2.539 124 2HB GLU 17 2HB GLU 17 -5.276 5.943 3.229 125 1HG GLU 17 1HG GLU 17 -6.166 4.033 1.078 126 2HG GLU 17 2HG GLU 17 -5.579 5.638 0.681 127 H ILE 18 H ILE 18 -5.499 5.588 5.686 128 HA ILE 18 HA ILE 18 -8.130 6.182 6.747 129 HB ILE 18 HB ILE 18 -6.629 5.065 8.437 130 1HG1 ILE 18 1HG1 ILE 18 -7.341 7.899 9.228 131 2HG1 ILE 18 2HG1 ILE 18 -8.465 6.551 9.186 132 1HG2 ILE 18 1HG2 ILE 18 -4.476 5.840 7.902 133 2HG2 ILE 18 2HG2 ILE 18 -4.845 6.490 9.506 134 3HG2 ILE 18 3HG2 ILE 18 -4.963 7.524 8.087 135 1HD1 ILE 18 1HD1 ILE 18 -6.047 6.774 10.969 136 2HD1 ILE 18 2HD1 ILE 18 -7.200 5.438 10.952 137 3HD1 ILE 18 3HD1 ILE 18 -7.721 7.045 11.451 138 H HIS 19 H HIS 19 -8.396 8.464 7.623 139 HA HIS 19 HA HIS 19 -7.585 10.167 5.495 140 1HB HIS 19 1HB HIS 19 -9.338 10.728 7.886 141 2HB HIS 19 2HB HIS 19 -9.054 11.874 6.574 142 HD1 HIS 19 HD1 HIS 19 -10.153 11.279 4.236 143 HD2 HIS 19 HD2 HIS 19 -11.064 8.633 7.305 144 HE1 HIS 19 HE1 HIS 19 -11.985 9.803 3.358 145 H MET 20 H MET 20 -5.558 9.857 5.950 146 HA MET 20 HA MET 20 -4.151 11.879 7.594 147 1HB MET 20 1HB MET 20 -3.769 8.966 7.146 148 2HB MET 20 2HB MET 20 -2.304 9.921 7.249 149 1HG MET 20 1HG MET 20 -4.450 9.980 9.352 150 2HG MET 20 2HG MET 20 -3.156 8.784 9.363 151 1HE MET 20 1HE MET 20 0.045 10.900 9.856 152 2HE MET 20 2HE MET 20 -0.634 10.373 8.323 153 3HE MET 20 3HE MET 20 -0.654 9.287 9.711 154 H LYS 21 H LYS 21 -1.612 11.250 6.209 155 HA LYS 21 HA LYS 21 -2.384 12.115 3.531 156 1HB LYS 21 1HB LYS 21 -0.920 13.638 4.763 157 2HB LYS 21 2HB LYS 21 0.249 12.349 4.997 158 1HG LYS 21 1HG LYS 21 0.616 12.246 2.571 159 2HG LYS 21 2HG LYS 21 -0.542 13.558 2.349 160 1HD LYS 21 1HD LYS 21 1.975 13.761 4.001 161 2HD LYS 21 2HD LYS 21 1.840 14.291 2.329 162 1HE LYS 21 1HE LYS 21 0.161 15.929 2.945 163 2HE LYS 21 2HE LYS 21 0.151 15.343 4.607 164 1HZ LYS 21 1HZ LYS 21 2.539 16.545 3.284 165 2HZ LYS 21 2HZ LYS 21 2.411 16.018 4.839 166 3HZ LYS 21 3HZ LYS 21 1.521 17.353 4.376 167 H ARG 22 H ARG 22 -2.195 10.689 1.921 168 HA ARG 22 HA ARG 22 -0.679 8.271 2.459 169 1HB ARG 22 1HB ARG 22 -2.293 7.194 1.205 170 2HB ARG 22 2HB ARG 22 -3.094 8.727 1.082 171 1HG ARG 22 1HG ARG 22 -2.174 9.232 -0.992 172 2HG ARG 22 2HG ARG 22 -0.963 7.954 -0.883 173 1HD ARG 22 1HD ARG 22 -3.940 7.662 -1.215 174 2HD ARG 22 2HD ARG 22 -2.704 7.374 -2.434 175 HE ARG 22 HE ARG 22 -3.089 5.731 0.001 176 1HH1 ARG 22 1HH1 ARG 22 -1.869 5.940 -3.361 177 2HH1 ARG 22 2HH1 ARG 22 -1.528 4.256 -3.399 178 1HH2 ARG 22 1HH2 ARG 22 -2.690 3.495 -0.206 179 2HH2 ARG 22 2HH2 ARG 22 -1.870 2.908 -1.625 180 H ALA 23 H ALA 23 1.233 7.845 1.415 181 HA ALA 23 HA ALA 23 1.993 9.762 -0.662 182 1HB ALA 23 1HB ALA 23 3.767 8.372 1.355 183 2HB ALA 23 2HB ALA 23 3.322 10.079 1.375 184 3HB ALA 23 3HB ALA 23 4.321 9.443 0.067 185 H GLY 24 H GLY 24 1.351 8.491 -2.375 186 1HA GLY 24 1HA GLY 24 2.534 5.792 -2.381 187 2HA GLY 24 2HA GLY 24 1.049 6.216 -3.226 188 H PHE 25 H PHE 25 4.581 6.698 -3.173 189 HA PHE 25 HA PHE 25 4.521 8.033 -5.693 190 1HB PHE 25 1HB PHE 25 6.833 6.771 -4.192 191 2HB PHE 25 2HB PHE 25 7.001 7.747 -5.643 192 HD1 PHE 25 HD1 PHE 25 6.241 7.781 -2.057 193 HD2 PHE 25 HD2 PHE 25 6.776 10.140 -5.553 194 HE1 PHE 25 HE1 PHE 25 6.408 9.800 -0.664 195 HE2 PHE 25 HE2 PHE 25 6.944 12.165 -4.165 196 HZ PHE 25 HZ PHE 25 6.759 11.994 -1.718 197 H ARG 26 H ARG 26 6.059 4.974 -4.809 198 HA ARG 26 HA ARG 26 5.823 4.111 -7.554 199 1HB ARG 26 1HB ARG 26 6.738 2.560 -5.157 200 2HB ARG 26 2HB ARG 26 6.871 2.035 -6.823 201 1HG ARG 26 1HG ARG 26 8.191 4.501 -5.739 202 2HG ARG 26 2HG ARG 26 8.945 2.910 -5.772 203 1HD ARG 26 1HD ARG 26 8.679 2.856 -8.199 204 2HD ARG 26 2HD ARG 26 7.957 4.471 -8.155 205 HE ARG 26 HE ARG 26 10.257 4.873 -6.899 206 1HH1 ARG 26 1HH1 ARG 26 9.668 3.200 -9.991 207 2HH1 ARG 26 2HH1 ARG 26 11.196 3.587 -10.617 208 1HH2 ARG 26 1HH2 ARG 26 12.280 5.397 -7.777 209 2HH2 ARG 26 2HH2 ARG 26 12.745 4.856 -9.333 210 H GLU 27 H GLU 27 4.113 3.359 -4.448 211 HA GLU 27 HA GLU 27 2.794 1.088 -5.480 212 1HB GLU 27 1HB GLU 27 3.184 1.651 -3.076 213 2HB GLU 27 2HB GLU 27 1.939 2.882 -3.195 214 1HG GLU 27 1HG GLU 27 1.417 -0.042 -3.678 215 2HG GLU 27 2HG GLU 27 1.406 0.640 -2.070 216 H CYS 28 H CYS 28 2.457 4.341 -6.032 217 HA CYS 28 HA CYS 28 -0.172 4.804 -6.614 218 1HB CYS 28 1HB CYS 28 1.438 6.542 -7.027 219 2HB CYS 28 2HB CYS 28 2.262 5.583 -8.239 220 HG CYS 28 HG CYS 28 -0.624 7.382 -8.526 221 H ALA 29 H ALA 29 2.137 2.943 -8.563 222 HA ALA 29 HA ALA 29 0.341 2.415 -10.723 223 1HB ALA 29 1HB ALA 29 2.874 0.976 -9.968 224 2HB ALA 29 2HB ALA 29 2.781 2.383 -11.028 225 3HB ALA 29 3HB ALA 29 2.033 0.860 -11.513 226 H ALA 30 H ALA 30 1.348 0.666 -7.862 227 HA ALA 30 HA ALA 30 0.078 -1.753 -8.366 228 1HB ALA 30 1HB ALA 30 0.341 -2.192 -6.020 229 2HB ALA 30 2HB ALA 30 0.577 -0.475 -5.702 230 3HB ALA 30 3HB ALA 30 1.783 -1.368 -6.624 231 H MET 31 H MET 31 -1.022 1.067 -6.542 232 HA MET 31 HA MET 31 -3.398 0.073 -5.547 233 1HB MET 31 1HB MET 31 -4.212 2.338 -5.251 234 2HB MET 31 2HB MET 31 -2.486 2.306 -4.921 235 1HG MET 31 1HG MET 31 -2.047 3.189 -7.134 236 2HG MET 31 2HG MET 31 -3.768 3.200 -7.474 237 1HE MET 31 1HE MET 31 -2.887 6.915 -7.416 238 2HE MET 31 2HE MET 31 -3.709 5.608 -8.263 239 3HE MET 31 3HE MET 31 -1.963 5.549 -8.040 240 H ILE 32 H ILE 32 -2.839 1.428 -8.732 241 HA ILE 32 HA ILE 32 -5.505 1.567 -9.569 242 HB ILE 32 HB ILE 32 -2.974 1.096 -11.157 243 1HG1 ILE 32 1HG1 ILE 32 -2.918 3.197 -9.931 244 2HG1 ILE 32 2HG1 ILE 32 -3.062 3.510 -11.653 245 1HG2 ILE 32 1HG2 ILE 32 -4.223 1.954 -13.128 246 2HG2 ILE 32 2HG2 ILE 32 -5.705 1.918 -12.169 247 3HG2 ILE 32 3HG2 ILE 32 -4.841 0.420 -12.524 248 1HD1 ILE 32 1HD1 ILE 32 -5.282 3.678 -9.613 249 2HD1 ILE 32 2HD1 ILE 32 -5.467 3.941 -11.345 250 3HD1 ILE 32 3HD1 ILE 32 -4.458 5.029 -10.394 251 H GLU 33 H GLU 33 -3.163 -1.030 -9.756 252 HA GLU 33 HA GLU 33 -4.996 -2.782 -11.116 253 1HB GLU 33 1HB GLU 33 -2.251 -3.301 -9.959 254 2HB GLU 33 2HB GLU 33 -3.173 -4.414 -10.969 255 1HG GLU 33 1HG GLU 33 -2.217 -1.706 -11.820 256 2HG GLU 33 2HG GLU 33 -1.470 -3.248 -12.244 257 H LYS 34 H LYS 34 -3.921 -2.217 -7.883 258 HA LYS 34 HA LYS 34 -4.701 -4.547 -6.544 259 1HB LYS 34 1HB LYS 34 -4.318 -1.719 -5.811 260 2HB LYS 34 2HB LYS 34 -5.073 -2.801 -4.653 261 1HG LYS 34 1HG LYS 34 -3.147 -4.120 -4.482 262 2HG LYS 34 2HG LYS 34 -2.429 -3.404 -5.926 263 1HD LYS 34 1HD LYS 34 -1.589 -2.645 -3.623 264 2HD LYS 34 2HD LYS 34 -1.892 -1.426 -4.846 265 1HE LYS 34 1HE LYS 34 -4.137 -0.994 -3.811 266 2HE LYS 34 2HE LYS 34 -3.777 -2.173 -2.560 267 1HZ LYS 34 1HZ LYS 34 -2.010 -0.748 -1.759 268 2HZ LYS 34 2HZ LYS 34 -3.352 0.283 -1.971 269 3HZ LYS 34 3HZ LYS 34 -2.123 0.197 -3.114 270 H LYS 35 H LYS 35 -6.534 -1.867 -7.733 271 HA LYS 35 HA LYS 35 -8.782 -2.098 -6.065 272 1HB LYS 35 1HB LYS 35 -8.295 -0.123 -7.385 273 2HB LYS 35 2HB LYS 35 -8.502 -1.060 -8.861 274 1HG LYS 35 1HG LYS 35 -10.864 -1.425 -8.268 275 2HG LYS 35 2HG LYS 35 -10.639 -0.420 -6.837 276 1HD LYS 35 1HD LYS 35 -11.654 0.816 -8.638 277 2HD LYS 35 2HD LYS 35 -10.035 1.455 -8.256 278 1HE LYS 35 1HE LYS 35 -9.139 0.216 -10.187 279 2HE LYS 35 2HE LYS 35 -10.761 -0.380 -10.543 280 1HZ LYS 35 1HZ LYS 35 -9.876 2.443 -10.579 281 2HZ LYS 35 2HZ LYS 35 -11.434 1.921 -10.908 282 3HZ LYS 35 3HZ LYS 35 -10.166 1.481 -11.924 283 H ALA 36 H ALA 36 -7.647 -3.939 -8.726 284 HA ALA 36 HA ALA 36 -10.165 -4.814 -9.615 285 1HB ALA 36 1HB ALA 36 -8.264 -4.765 -11.130 286 2HB ALA 36 2HB ALA 36 -8.906 -6.405 -11.009 287 3HB ALA 36 3HB ALA 36 -7.431 -5.968 -10.147 288 H ARG 37 H ARG 37 -7.484 -6.443 -7.969 289 HA ARG 37 HA ARG 37 -9.373 -8.081 -6.472 290 1HB ARG 37 1HB ARG 37 -7.188 -9.254 -8.220 291 2HB ARG 37 2HB ARG 37 -8.077 -10.168 -7.019 292 1HG ARG 37 1HG ARG 37 -10.122 -9.905 -8.270 293 2HG ARG 37 2HG ARG 37 -9.328 -8.813 -9.404 294 1HD ARG 37 1HD ARG 37 -9.554 -11.048 -10.351 295 2HD ARG 37 2HD ARG 37 -7.857 -10.629 -10.120 296 HE ARG 37 HE ARG 37 -9.010 -12.061 -7.935 297 1HH1 ARG 37 1HH1 ARG 37 -7.338 -12.400 -11.036 298 2HH1 ARG 37 2HH1 ARG 37 -6.804 -13.986 -10.750 299 1HH2 ARG 37 1HH2 ARG 37 -8.262 -14.221 -7.516 300 2HH2 ARG 37 2HH2 ARG 37 -7.353 -15.077 -8.652 301 H ARG 38 H ARG 38 -5.974 -8.396 -7.121 302 HA ARG 38 HA ARG 38 -4.943 -7.119 -4.861 303 1HB ARG 38 1HB ARG 38 -4.079 -9.104 -3.654 304 2HB ARG 38 2HB ARG 38 -5.841 -9.086 -3.691 305 1HG ARG 38 1HG ARG 38 -5.843 -10.797 -5.387 306 2HG ARG 38 2HG ARG 38 -4.073 -10.819 -5.387 307 1HD ARG 38 1HD ARG 38 -4.977 -12.624 -4.004 308 2HD ARG 38 2HD ARG 38 -4.081 -11.447 -3.038 309 HE ARG 38 HE ARG 38 -6.783 -10.712 -3.083 310 1HH1 ARG 38 1HH1 ARG 38 -4.824 -13.303 -1.703 311 2HH1 ARG 38 2HH1 ARG 38 -5.809 -13.488 -0.325 312 1HH2 ARG 38 1HH2 ARG 38 -8.090 -10.946 -1.227 313 2HH2 ARG 38 2HH2 ARG 38 -7.730 -12.107 -0.031 314 H VAL 39 H VAL 39 -2.999 -6.548 -5.512 315 HA VAL 39 HA VAL 39 -1.767 -8.188 -7.580 316 HB VAL 39 HB VAL 39 -2.357 -5.228 -7.800 317 1HG1 VAL 39 1HG1 VAL 39 -0.064 -5.585 -8.605 318 2HG1 VAL 39 2HG1 VAL 39 -1.136 -5.272 -9.973 319 3HG1 VAL 39 3HG1 VAL 39 -0.612 -6.918 -9.615 320 1HG2 VAL 39 1HG2 VAL 39 -4.159 -6.700 -8.470 321 2HG2 VAL 39 2HG2 VAL 39 -3.079 -7.576 -9.549 322 3HG2 VAL 39 3HG2 VAL 39 -3.495 -5.901 -9.890 323 H VAL 40 H VAL 40 0.406 -8.113 -7.695 324 HA VAL 40 HA VAL 40 1.712 -6.904 -5.415 325 HB VAL 40 HB VAL 40 2.078 -9.355 -5.673 326 1HG1 VAL 40 1HG1 VAL 40 3.379 -10.263 -7.544 327 2HG1 VAL 40 2HG1 VAL 40 3.315 -8.687 -8.333 328 3HG1 VAL 40 3HG1 VAL 40 1.830 -9.595 -8.056 329 1HG2 VAL 40 1HG2 VAL 40 3.888 -8.059 -4.659 330 2HG2 VAL 40 2HG2 VAL 40 4.589 -7.776 -6.250 331 3HG2 VAL 40 3HG2 VAL 40 4.536 -9.410 -5.590 332 H HIS 41 H HIS 41 3.443 -5.544 -5.689 333 HA HIS 41 HA HIS 41 4.049 -4.737 -8.419 334 1HB HIS 41 1HB HIS 41 2.396 -3.177 -7.534 335 2HB HIS 41 2HB HIS 41 3.356 -2.931 -6.088 336 HD1 HIS 41 HD1 HIS 41 3.440 -2.068 -9.856 337 HD2 HIS 41 HD2 HIS 41 5.031 -0.813 -6.214 338 HE1 HIS 41 HE1 HIS 41 4.803 -0.048 -10.337 339 H ILE 42 H ILE 42 6.145 -4.916 -8.705 340 HA ILE 42 HA ILE 42 7.905 -5.218 -6.456 341 HB ILE 42 HB ILE 42 8.148 -6.628 -8.539 342 1HG1 ILE 42 1HG1 ILE 42 10.571 -4.944 -7.852 343 2HG1 ILE 42 2HG1 ILE 42 10.031 -6.370 -6.980 344 1HG2 ILE 42 1HG2 ILE 42 9.252 -5.654 -10.520 345 2HG2 ILE 42 2HG2 ILE 42 9.086 -4.054 -9.798 346 3HG2 ILE 42 3HG2 ILE 42 7.649 -4.978 -10.231 347 1HD1 ILE 42 1HD1 ILE 42 11.912 -6.875 -8.425 348 2HD1 ILE 42 2HD1 ILE 42 11.007 -6.301 -9.825 349 3HD1 ILE 42 3HD1 ILE 42 10.468 -7.739 -8.956 350 H LYS 43 H LYS 43 9.611 -3.867 -5.973 351 HA LYS 43 HA LYS 43 10.658 -1.909 -5.568 352 1HB LYS 43 1HB LYS 43 9.838 -1.152 -8.385 353 2HB LYS 43 2HB LYS 43 11.005 -0.278 -7.406 354 1HG LYS 43 1HG LYS 43 12.464 -2.245 -7.425 355 2HG LYS 43 2HG LYS 43 11.274 -3.100 -8.411 356 1HD LYS 43 1HD LYS 43 11.504 -1.384 -10.145 357 2HD LYS 43 2HD LYS 43 12.741 -0.585 -9.169 358 1HE LYS 43 1HE LYS 43 14.127 -2.591 -9.283 359 2HE LYS 43 2HE LYS 43 12.891 -3.396 -10.241 360 1HZ LYS 43 1HZ LYS 43 14.426 -0.983 -11.041 361 2HZ LYS 43 2HZ LYS 43 13.228 -1.703 -11.975 362 3HZ LYS 43 3HZ LYS 43 14.650 -2.532 -11.647 363 HA PRO 44 HA PRO 44 6.576 0.269 -4.885 364 1HB PRO 44 1HB PRO 44 6.055 -0.438 -2.346 365 2HB PRO 44 2HB PRO 44 5.613 -1.495 -3.694 366 1HG PRO 44 1HG PRO 44 8.028 -1.609 -1.925 367 2HG PRO 44 2HG PRO 44 6.965 -2.944 -2.373 368 1HD PRO 44 1HD PRO 44 9.289 -2.503 -3.600 369 2HD PRO 44 2HD PRO 44 7.870 -3.132 -4.457 370 H GLY 45 H GLY 45 6.289 2.130 -3.516 371 1HA GLY 45 1HA GLY 45 8.411 3.039 -1.788 372 2HA GLY 45 2HA GLY 45 8.412 3.823 -3.375 373 H GLU 46 H GLU 46 5.937 2.728 -1.244 374 HA GLU 46 HA GLU 46 4.756 5.387 -1.213 375 1HB GLU 46 1HB GLU 46 2.687 4.241 -1.198 376 2HB GLU 46 2HB GLU 46 3.723 3.327 -2.180 377 1HG GLU 46 1HG GLU 46 3.257 2.542 0.693 378 2HG GLU 46 2HG GLU 46 2.406 1.856 -0.685 379 H LYS 47 H LYS 47 3.503 5.675 0.763 380 HA LYS 47 HA LYS 47 4.209 4.379 3.170 381 1HB LYS 47 1HB LYS 47 5.449 6.897 2.476 382 2HB LYS 47 2HB LYS 47 4.387 7.100 3.865 383 1HG LYS 47 1HG LYS 47 6.472 4.971 3.652 384 2HG LYS 47 2HG LYS 47 6.756 6.528 4.424 385 1HD LYS 47 1HD LYS 47 5.046 6.033 6.090 386 2HD LYS 47 2HD LYS 47 4.596 4.573 5.235 387 1HE LYS 47 1HE LYS 47 6.774 3.585 5.670 388 2HE LYS 47 2HE LYS 47 7.331 5.075 6.426 389 1HZ LYS 47 1HZ LYS 47 6.641 3.238 7.962 390 2HZ LYS 47 2HZ LYS 47 5.031 3.520 7.546 391 3HZ LYS 47 3HZ LYS 47 5.949 4.711 8.259 392 H ILE 48 H ILE 48 2.222 3.792 3.176 393 HA ILE 48 HA ILE 48 0.195 5.734 2.771 394 HB ILE 48 HB ILE 48 -1.370 3.856 3.008 395 1HG1 ILE 48 1HG1 ILE 48 1.145 2.150 3.120 396 2HG1 ILE 48 2HG1 ILE 48 -0.014 2.352 4.428 397 1HG2 ILE 48 1HG2 ILE 48 0.870 3.556 0.997 398 2HG2 ILE 48 2HG2 ILE 48 -0.558 4.578 0.830 399 3HG2 ILE 48 3HG2 ILE 48 -0.724 2.823 0.832 400 1HD1 ILE 48 1HD1 ILE 48 -1.724 1.253 3.068 401 2HD1 ILE 48 2HD1 ILE 48 -0.312 0.222 3.299 402 3HD1 ILE 48 3HD1 ILE 48 -0.554 1.056 1.764 403 H LEU 49 H LEU 49 0.018 7.075 4.307 404 HA LEU 49 HA LEU 49 -0.634 8.072 6.228 405 1HB LEU 49 1HB LEU 49 -1.836 5.486 7.175 406 2HB LEU 49 2HB LEU 49 -2.338 7.112 7.545 407 HG LEU 49 HG LEU 49 -4.026 6.535 6.182 408 1HD1 LEU 49 1HD1 LEU 49 -2.048 7.464 4.200 409 2HD1 LEU 49 2HD1 LEU 49 -3.256 8.403 5.090 410 3HD1 LEU 49 3HD1 LEU 49 -3.754 7.213 3.879 411 1HD2 LEU 49 1HD2 LEU 49 -2.189 4.713 4.657 412 2HD2 LEU 49 2HD2 LEU 49 -3.901 4.927 4.303 413 3HD2 LEU 49 3HD2 LEU 49 -3.399 4.241 5.848 414 H GLY 50 H GLY 50 1.765 6.264 6.137 415 1HA GLY 50 1HA GLY 50 3.558 6.086 7.689 416 2HA GLY 50 2HA GLY 50 2.412 6.447 8.984 417 H ALA 51 H ALA 51 0.475 4.688 8.679 418 HA ALA 51 HA ALA 51 1.645 2.012 8.742 419 1HB ALA 51 1HB ALA 51 -0.282 3.192 10.763 420 2HB ALA 51 2HB ALA 51 1.405 2.783 11.067 421 3HB ALA 51 3HB ALA 51 0.239 1.508 10.713 422 H ARG 52 H ARG 52 0.225 0.443 7.969 423 HA ARG 52 HA ARG 52 -1.678 1.390 6.079 424 1HB ARG 52 1HB ARG 52 -0.336 -0.570 5.585 425 2HB ARG 52 2HB ARG 52 -1.041 -1.429 6.944 426 1HG ARG 52 1HG ARG 52 -3.249 -1.312 5.842 427 2HG ARG 52 2HG ARG 52 -2.491 -0.527 4.457 428 1HD ARG 52 1HD ARG 52 -1.099 -2.482 4.089 429 2HD ARG 52 2HD ARG 52 -1.780 -3.253 5.520 430 HE ARG 52 HE ARG 52 -3.452 -2.515 3.224 431 1HH1 ARG 52 1HH1 ARG 52 -2.284 -4.936 5.518 432 2HH1 ARG 52 2HH1 ARG 52 -3.336 -6.168 5.047 433 1HH2 ARG 52 1HH2 ARG 52 -4.919 -4.244 2.463 434 2HH2 ARG 52 2HH2 ARG 52 -4.921 -5.756 3.250 435 H ILE 53 H ILE 53 -3.506 2.269 6.838 436 HA ILE 53 HA ILE 53 -5.197 0.578 8.520 437 HB ILE 53 HB ILE 53 -5.174 3.601 8.339 438 1HG1 ILE 53 1HG1 ILE 53 -4.251 1.809 10.618 439 2HG1 ILE 53 2HG1 ILE 53 -3.193 2.726 9.559 440 1HG2 ILE 53 1HG2 ILE 53 -6.763 1.716 10.101 441 2HG2 ILE 53 2HG2 ILE 53 -7.399 2.697 8.781 442 3HG2 ILE 53 3HG2 ILE 53 -6.781 3.474 10.240 443 1HD1 ILE 53 1HD1 ILE 53 -3.453 3.783 11.738 444 2HD1 ILE 53 2HD1 ILE 53 -5.197 3.896 11.484 445 3HD1 ILE 53 3HD1 ILE 53 -4.092 4.802 10.451 446 H ILE 54 H ILE 54 -6.749 -0.190 7.244 447 HA ILE 54 HA ILE 54 -7.329 0.952 4.668 448 HB ILE 54 HB ILE 54 -8.700 -1.280 6.211 449 1HG1 ILE 54 1HG1 ILE 54 -6.585 -1.443 4.046 450 2HG1 ILE 54 2HG1 ILE 54 -6.302 -1.725 5.757 451 1HG2 ILE 54 1HG2 ILE 54 -8.837 -0.635 3.280 452 2HG2 ILE 54 2HG2 ILE 54 -10.112 -0.312 4.449 453 3HG2 ILE 54 3HG2 ILE 54 -9.645 -1.979 4.087 454 1HD1 ILE 54 1HD1 ILE 54 -6.466 -3.808 4.506 455 2HD1 ILE 54 2HD1 ILE 54 -8.092 -3.371 3.977 456 3HD1 ILE 54 3HD1 ILE 54 -7.766 -3.666 5.685 457 H GLY 55 H GLY 55 -8.913 0.563 7.723 458 1HA GLY 55 1HA GLY 55 -10.354 2.151 8.742 459 2HA GLY 55 2HA GLY 55 -10.698 2.825 7.151 460 H ILE 56 H ILE 56 -10.989 0.198 6.006 461 HA ILE 56 HA ILE 56 -13.765 -0.290 6.696 462 HB ILE 56 HB ILE 56 -11.975 -1.483 4.539 463 1HG1 ILE 56 1HG1 ILE 56 -12.704 0.790 4.018 464 2HG1 ILE 56 2HG1 ILE 56 -13.430 -0.371 2.928 465 1HG2 ILE 56 1HG2 ILE 56 -13.922 -2.648 3.623 466 2HG2 ILE 56 2HG2 ILE 56 -14.869 -2.137 5.020 467 3HG2 ILE 56 3HG2 ILE 56 -13.493 -3.218 5.239 468 1HD1 ILE 56 1HD1 ILE 56 -14.798 0.945 5.264 469 2HD1 ILE 56 2HD1 ILE 56 -15.523 -0.253 4.194 470 3HD1 ILE 56 3HD1 ILE 56 -15.037 1.318 3.557 471 HA PRO 57 HA PRO 57 -12.353 -3.565 9.474 472 1HB PRO 57 1HB PRO 57 -15.159 -4.480 9.321 473 2HB PRO 57 2HB PRO 57 -14.220 -3.996 10.736 474 1HG PRO 57 1HG PRO 57 -16.189 -2.452 9.762 475 2HG PRO 57 2HG PRO 57 -14.719 -1.760 10.468 476 1HD PRO 57 1HD PRO 57 -15.477 -2.062 7.594 477 2HD PRO 57 2HD PRO 57 -14.646 -0.728 8.424 478 HA PRO 58 HA PRO 58 -12.499 -6.710 6.163 479 1HB PRO 58 1HB PRO 58 -9.911 -6.979 5.837 480 2HB PRO 58 2HB PRO 58 -10.670 -5.441 5.403 481 1HG PRO 58 1HG PRO 58 -8.914 -6.076 7.716 482 2HG PRO 58 2HG PRO 58 -9.183 -4.526 6.902 483 1HD PRO 58 1HD PRO 58 -10.472 -5.545 9.297 484 2HD PRO 58 2HD PRO 58 -10.642 -3.948 8.529 485 H VAL 59 H VAL 59 -10.734 -8.662 6.089 486 HA VAL 59 HA VAL 59 -11.126 -10.140 8.553 487 HB VAL 59 HB VAL 59 -10.066 -11.090 5.867 488 1HG1 VAL 59 1HG1 VAL 59 -11.052 -12.650 8.257 489 2HG1 VAL 59 2HG1 VAL 59 -9.379 -12.501 7.722 490 3HG1 VAL 59 3HG1 VAL 59 -10.553 -13.347 6.714 491 1HG2 VAL 59 1HG2 VAL 59 -12.374 -10.326 5.655 492 2HG2 VAL 59 2HG2 VAL 59 -12.853 -11.358 7.002 493 3HG2 VAL 59 3HG2 VAL 59 -12.280 -12.080 5.498 494 HA PRO 60 HA PRO 60 -6.884 -8.674 9.293 495 1HB PRO 60 1HB PRO 60 -7.024 -10.097 11.841 496 2HB PRO 60 2HB PRO 60 -6.944 -8.361 11.539 497 1HG PRO 60 1HG PRO 60 -9.164 -9.557 12.500 498 2HG PRO 60 2HG PRO 60 -9.234 -8.142 11.438 499 1HD PRO 60 1HD PRO 60 -9.620 -11.034 10.768 500 2HD PRO 60 2HD PRO 60 -10.559 -9.603 10.266 501 H ILE 61 H ILE 61 -6.827 -10.956 7.629 502 HA ILE 61 HA ILE 61 -4.877 -12.648 9.019 503 HB ILE 61 HB ILE 61 -6.530 -13.295 6.527 504 1HG1 ILE 61 1HG1 ILE 61 -6.670 -14.496 9.293 505 2HG1 ILE 61 2HG1 ILE 61 -7.823 -13.335 8.657 506 1HG2 ILE 61 1HG2 ILE 61 -4.302 -14.368 6.473 507 2HG2 ILE 61 2HG2 ILE 61 -5.588 -15.557 6.684 508 3HG2 ILE 61 3HG2 ILE 61 -4.613 -15.057 8.067 509 1HD1 ILE 61 1HD1 ILE 61 -8.454 -14.964 6.925 510 2HD1 ILE 61 2HD1 ILE 61 -8.698 -15.597 8.553 511 3HD1 ILE 61 3HD1 ILE 61 -7.302 -16.113 7.606 512 H GLY 62 H GLY 62 -2.845 -12.987 7.896 513 1HA GLY 62 1HA GLY 62 -2.372 -12.081 5.309 514 2HA GLY 62 2HA GLY 62 -1.950 -10.795 6.435 515 H ILE 63 H ILE 63 -0.049 -11.891 4.835 516 HA ILE 63 HA ILE 63 1.655 -13.130 6.845 517 HB ILE 63 HB ILE 63 1.669 -13.882 3.890 518 1HG1 ILE 63 1HG1 ILE 63 0.795 -15.575 6.238 519 2HG1 ILE 63 2HG1 ILE 63 -0.300 -14.828 5.082 520 1HG2 ILE 63 1HG2 ILE 63 3.202 -15.043 6.218 521 2HG2 ILE 63 2HG2 ILE 63 3.854 -13.970 4.987 522 3HG2 ILE 63 3HG2 ILE 63 3.294 -15.584 4.539 523 1HD1 ILE 63 1HD1 ILE 63 0.745 -16.172 3.291 524 2HD1 ILE 63 2HD1 ILE 63 0.008 -17.155 4.553 525 3HD1 ILE 63 3HD1 ILE 63 1.762 -16.949 4.508 526 H ASP 64 H ASP 64 2.366 -10.939 7.160 527 HA ASP 64 HA ASP 64 3.757 -9.833 4.879 528 1HB ASP 64 1HB ASP 64 4.052 -7.743 6.126 529 2HB ASP 64 2HB ASP 64 2.370 -8.218 6.194 530 H GLU 65 H GLU 65 5.400 -10.980 4.548 531 HA GLU 65 HA GLU 65 7.046 -12.117 6.554 532 1HB GLU 65 1HB GLU 65 7.372 -11.792 3.589 533 2HB GLU 65 2HB GLU 65 8.507 -12.695 4.560 534 1HG GLU 65 1HG GLU 65 5.572 -13.275 4.271 535 2HG GLU 65 2HG GLU 65 6.872 -14.118 3.432 536 H GLU 66 H GLU 66 7.751 -9.709 4.086 537 HA GLU 66 HA GLU 66 9.351 -8.179 5.859 538 1HB GLU 66 1HB GLU 66 10.798 -10.145 5.192 539 2HB GLU 66 2HB GLU 66 10.643 -9.642 3.528 540 1HG GLU 66 1HG GLU 66 11.881 -7.634 3.983 541 2HG GLU 66 2HG GLU 66 11.930 -8.025 5.707 542 H ARG 67 H ARG 67 10.489 -6.562 4.189 543 HA ARG 67 HA ARG 67 8.257 -5.393 2.671 544 1HB ARG 67 1HB ARG 67 9.926 -4.244 4.402 545 2HB ARG 67 2HB ARG 67 10.918 -4.068 2.966 546 1HG ARG 67 1HG ARG 67 8.104 -3.010 3.250 547 2HG ARG 67 2HG ARG 67 9.574 -2.075 3.506 548 1HD ARG 67 1HD ARG 67 10.186 -2.277 1.217 549 2HD ARG 67 2HD ARG 67 8.899 -3.441 0.911 550 HE ARG 67 HE ARG 67 7.419 -1.449 1.655 551 1HH1 ARG 67 1HH1 ARG 67 10.342 -1.132 -0.338 552 2HH1 ARG 67 2HH1 ARG 67 9.708 0.154 -1.269 553 1HH2 ARG 67 1HH2 ARG 67 6.574 0.345 0.321 554 2HH2 ARG 67 2HH2 ARG 67 7.575 0.987 -0.858 555 H SER 68 H SER 68 11.482 -6.636 2.385 556 HA SER 68 HA SER 68 11.654 -6.243 -0.439 557 1HB SER 68 1HB SER 68 13.835 -7.570 0.357 558 2HB SER 68 2HB SER 68 13.663 -5.821 0.544 559 HG SER 68 HG SER 68 13.598 -7.815 2.501 560 H THR 69 H THR 69 9.553 -7.815 0.355 561 HA THR 69 HA THR 69 9.994 -10.072 -1.241 562 HB THR 69 HB THR 69 10.886 -10.654 1.105 563 HG1 THR 69 HG1 THR 69 10.336 -12.743 0.644 564 1HG2 THR 69 1HG2 THR 69 7.936 -10.993 1.582 565 2HG2 THR 69 2HG2 THR 69 8.967 -9.798 2.354 566 3HG2 THR 69 3HG2 THR 69 9.228 -11.519 2.664 567 H VAL 70 H VAL 70 7.874 -11.417 -0.793 568 HA VAL 70 HA VAL 70 5.797 -9.456 -1.369 569 HB VAL 70 HB VAL 70 4.337 -11.345 -2.002 570 1HG1 VAL 70 1HG1 VAL 70 5.616 -10.273 -3.698 571 2HG1 VAL 70 2HG1 VAL 70 5.563 -12.009 -4.018 572 3HG1 VAL 70 3HG1 VAL 70 7.016 -11.279 -3.337 573 1HG2 VAL 70 1HG2 VAL 70 5.227 -13.110 -0.576 574 2HG2 VAL 70 2HG2 VAL 70 6.757 -13.073 -1.444 575 3HG2 VAL 70 3HG2 VAL 70 5.288 -13.607 -2.267 576 H MET 71 H MET 71 4.953 -8.527 0.234 577 HA MET 71 HA MET 71 4.145 -10.129 2.510 578 1HB MET 71 1HB MET 71 3.365 -7.952 3.523 579 2HB MET 71 2HB MET 71 5.076 -7.969 3.152 580 1HG MET 71 1HG MET 71 4.657 -6.621 1.157 581 2HG MET 71 2HG MET 71 2.930 -6.643 1.501 582 1HE MET 71 1HE MET 71 1.800 -5.404 3.539 583 2HE MET 71 2HE MET 71 2.690 -4.517 4.774 584 3HE MET 71 3HE MET 71 2.830 -6.270 4.681 585 H ILE 72 H ILE 72 2.491 -11.337 2.082 586 HA ILE 72 HA ILE 72 0.373 -10.303 0.348 587 HB ILE 72 HB ILE 72 0.911 -13.170 1.169 588 1HG1 ILE 72 1HG1 ILE 72 1.442 -11.764 -1.466 589 2HG1 ILE 72 2HG1 ILE 72 2.674 -12.229 -0.299 590 1HG2 ILE 72 1HG2 ILE 72 -0.706 -13.743 -0.596 591 2HG2 ILE 72 2HG2 ILE 72 -1.013 -12.028 -0.869 592 3HG2 ILE 72 3HG2 ILE 72 -1.449 -12.768 0.673 593 1HD1 ILE 72 1HD1 ILE 72 2.583 -13.786 -2.158 594 2HD1 ILE 72 2HD1 ILE 72 0.879 -14.103 -1.830 595 3HD1 ILE 72 3HD1 ILE 72 2.107 -14.583 -0.658 596 HA PRO 73 HA PRO 73 -1.929 -10.281 4.240 597 1HB PRO 73 1HB PRO 73 -3.563 -8.216 3.046 598 2HB PRO 73 2HB PRO 73 -2.458 -8.066 4.409 599 1HG PRO 73 1HG PRO 73 -2.022 -6.880 1.988 600 2HG PRO 73 2HG PRO 73 -0.720 -7.366 3.085 601 1HD PRO 73 1HD PRO 73 -1.783 -8.784 0.668 602 2HD PRO 73 2HD PRO 73 -0.100 -8.545 1.197 603 H TYR 74 H TYR 74 -3.980 -11.126 4.635 604 HA TYR 74 HA TYR 74 -5.556 -11.813 2.287 605 1HB TYR 74 1HB TYR 74 -5.197 -13.393 4.848 606 2HB TYR 74 2HB TYR 74 -6.400 -13.769 3.622 607 HD1 TYR 74 HD1 TYR 74 -5.629 -14.495 1.357 608 HD2 TYR 74 HD2 TYR 74 -2.960 -14.127 4.641 609 HE1 TYR 74 HE1 TYR 74 -4.008 -15.923 0.193 610 HE2 TYR 74 HE2 TYR 74 -1.334 -15.551 3.479 611 HH TYR 74 HH TYR 74 -1.361 -17.297 1.760 612 H THR 75 H THR 75 -6.009 -9.581 2.933 613 HA THR 75 HA THR 75 -8.027 -9.436 5.015 614 HB THR 75 HB THR 75 -7.742 -6.974 4.713 615 HG1 THR 75 HG1 THR 75 -6.699 -7.458 2.533 616 1HG2 THR 75 1HG2 THR 75 -6.546 -8.133 6.511 617 2HG2 THR 75 2HG2 THR 75 -5.556 -6.825 5.859 618 3HG2 THR 75 3HG2 THR 75 -5.218 -8.495 5.406 619 H LYS 76 H LYS 76 -10.076 -9.548 4.212 620 HA LYS 76 HA LYS 76 -10.477 -8.843 1.429 621 1HB LYS 76 1HB LYS 76 -11.320 -11.048 2.085 622 2HB LYS 76 2HB LYS 76 -12.269 -10.326 3.373 623 1HG LYS 76 1HG LYS 76 -13.666 -10.922 1.462 624 2HG LYS 76 2HG LYS 76 -13.662 -9.181 1.733 625 1HD LYS 76 1HD LYS 76 -11.995 -8.925 -0.074 626 2HD LYS 76 2HD LYS 76 -12.059 -10.667 -0.358 627 1HE LYS 76 1HE LYS 76 -14.439 -10.485 -0.897 628 2HE LYS 76 2HE LYS 76 -14.371 -8.757 -0.571 629 1HZ LYS 76 1HZ LYS 76 -12.893 -10.163 -2.731 630 2HZ LYS 76 2HZ LYS 76 -12.869 -8.489 -2.426 631 3HZ LYS 76 3HZ LYS 76 -14.287 -9.229 -2.901 632 HA PRO 77 HA PRO 77 -12.516 -5.229 3.236 633 1HB PRO 77 1HB PRO 77 -11.199 -3.414 1.804 634 2HB PRO 77 2HB PRO 77 -10.383 -4.270 3.116 635 1HG PRO 77 1HG PRO 77 -9.973 -4.512 0.214 636 2HG PRO 77 2HG PRO 77 -8.924 -5.025 1.544 637 1HD PRO 77 1HD PRO 77 -10.847 -6.605 0.012 638 2HD PRO 77 2HD PRO 77 -9.578 -7.134 1.141 639 H CYS 78 H CYS 78 -12.941 -3.138 1.583 640 HA CYS 78 HA CYS 78 -14.858 -4.213 -0.334 641 1HB CYS 78 1HB CYS 78 -14.670 -1.660 1.217 642 2HB CYS 78 2HB CYS 78 -15.971 -2.025 0.060 643 HG CYS 78 HG CYS 78 -16.819 -2.317 2.772 644 H TYR 79 H TYR 79 -12.007 -3.840 -0.859 645 HA TYR 79 HA TYR 79 -12.185 -2.044 -3.129 646 1HB TYR 79 1HB TYR 79 -11.324 -0.604 -1.315 647 2HB TYR 79 2HB TYR 79 -10.022 -1.742 -1.021 648 HD1 TYR 79 HD1 TYR 79 -11.391 0.629 -3.530 649 HD2 TYR 79 HD2 TYR 79 -7.990 -1.568 -2.222 650 HE1 TYR 79 HE1 TYR 79 -9.973 1.893 -5.093 651 HE2 TYR 79 HE2 TYR 79 -6.570 -0.314 -3.782 652 HH TYR 79 HH TYR 79 -7.672 2.488 -5.401 653 H GLY 80 H GLY 80 -9.304 -3.507 -1.567 654 1HA GLY 80 1HA GLY 80 -9.173 -5.800 -3.159 655 2HA GLY 80 2HA GLY 80 -8.248 -4.511 -3.929 656 H THR 81 H THR 81 -6.593 -6.325 -3.323 657 HA THR 81 HA THR 81 -5.585 -5.667 -0.642 658 HB THR 81 HB THR 81 -5.250 -8.284 -2.118 659 HG1 THR 81 HG1 THR 81 -7.288 -8.346 -1.361 660 1HG2 THR 81 1HG2 THR 81 -4.522 -7.522 0.717 661 2HG2 THR 81 2HG2 THR 81 -3.380 -7.799 -0.595 662 3HG2 THR 81 3HG2 THR 81 -4.362 -9.132 0.017 663 H ALA 82 H ALA 82 -3.341 -5.445 -0.372 664 HA ALA 82 HA ALA 82 -1.905 -4.649 -2.813 665 1HB ALA 82 1HB ALA 82 -0.704 -3.090 -1.408 666 2HB ALA 82 2HB ALA 82 -1.557 -3.681 0.014 667 3HB ALA 82 3HB ALA 82 -2.441 -2.825 -1.243 668 H VAL 83 H VAL 83 -0.290 -6.014 -3.315 669 HA VAL 83 HA VAL 83 1.266 -7.226 -1.126 670 HB VAL 83 HB VAL 83 0.951 -8.257 -3.975 671 1HG1 VAL 83 1HG1 VAL 83 2.031 -10.279 -3.125 672 2HG1 VAL 83 2HG1 VAL 83 2.154 -9.542 -1.529 673 3HG1 VAL 83 3HG1 VAL 83 3.050 -8.859 -2.882 674 1HG2 VAL 83 1HG2 VAL 83 -0.427 -10.084 -3.061 675 2HG2 VAL 83 2HG2 VAL 83 -1.194 -8.511 -2.840 676 3HG2 VAL 83 3HG2 VAL 83 -0.400 -9.302 -1.479 677 H VAL 84 H VAL 84 3.075 -6.075 -0.973 678 HA VAL 84 HA VAL 84 4.134 -5.030 -3.486 679 HB VAL 84 HB VAL 84 5.114 -3.124 -2.282 680 1HG1 VAL 84 1HG1 VAL 84 2.929 -2.802 -3.160 681 2HG1 VAL 84 2HG1 VAL 84 3.114 -1.915 -1.647 682 3HG1 VAL 84 3HG1 VAL 84 2.205 -3.425 -1.679 683 1HG2 VAL 84 1HG2 VAL 84 4.636 -2.693 0.082 684 2HG2 VAL 84 2HG2 VAL 84 5.549 -4.191 -0.111 685 3HG2 VAL 84 3HG2 VAL 84 3.815 -4.250 0.203 686 H GLU 85 H GLU 85 6.334 -5.283 -3.909 687 HA GLU 85 HA GLU 85 7.889 -6.824 -1.961 688 1HB GLU 85 1HB GLU 85 6.903 -8.486 -3.414 689 2HB GLU 85 2HB GLU 85 7.453 -7.600 -4.845 690 1HG GLU 85 1HG GLU 85 9.784 -8.059 -4.168 691 2HG GLU 85 2HG GLU 85 9.160 -8.980 -2.796 692 H LEU 86 H LEU 86 9.634 -5.666 -1.637 693 HA LEU 86 HA LEU 86 10.683 -3.980 -3.775 694 1HB LEU 86 1HB LEU 86 10.355 -3.099 -1.462 695 2HB LEU 86 2HB LEU 86 11.544 -4.241 -0.884 696 HG LEU 86 HG LEU 86 13.174 -3.108 -2.460 697 1HD1 LEU 86 1HD1 LEU 86 11.040 -1.002 -2.502 698 2HD1 LEU 86 2HD1 LEU 86 11.635 -1.946 -3.867 699 3HD1 LEU 86 3HD1 LEU 86 12.701 -0.799 -3.060 700 1HD2 LEU 86 1HD2 LEU 86 13.609 -1.282 -0.855 701 2HD2 LEU 86 2HD2 LEU 86 13.293 -2.822 -0.064 702 3HD2 LEU 86 3HD2 LEU 86 12.040 -1.586 -0.114 703 HA PRO 87 HA PRO 87 13.857 -7.166 -4.363 704 1HB PRO 87 1HB PRO 87 14.974 -6.193 -6.568 705 2HB PRO 87 2HB PRO 87 13.318 -6.816 -6.614 706 1HG PRO 87 1HG PRO 87 14.286 -3.993 -6.513 707 2HG PRO 87 2HG PRO 87 12.945 -4.682 -7.443 708 1HD PRO 87 1HD PRO 87 12.706 -3.327 -5.026 709 2HD PRO 87 2HD PRO 87 11.485 -4.415 -5.717 710 H VAL 88 H VAL 88 14.186 -4.574 -2.797 711 HA VAL 88 HA VAL 88 17.116 -4.356 -2.834 712 HB VAL 88 HB VAL 88 15.143 -2.212 -1.981 713 1HG1 VAL 88 1HG1 VAL 88 17.303 -2.017 -0.931 714 2HG1 VAL 88 2HG1 VAL 88 17.013 -0.677 -2.036 715 3HG1 VAL 88 3HG1 VAL 88 18.089 -1.990 -2.514 716 1HG2 VAL 88 1HG2 VAL 88 15.648 -0.972 -4.042 717 2HG2 VAL 88 2HG2 VAL 88 14.875 -2.521 -4.385 718 3HG2 VAL 88 3HG2 VAL 88 16.611 -2.332 -4.612 719 H ASP 89 H ASP 89 17.869 -4.018 -0.612 720 HA ASP 89 HA ASP 89 16.589 -5.778 1.216 721 1HB ASP 89 1HB ASP 89 18.926 -3.881 1.559 722 2HB ASP 89 2HB ASP 89 18.381 -4.919 2.856 723 HA PRO 90 HA PRO 90 13.829 -3.252 3.648 724 1HB PRO 90 1HB PRO 90 14.618 -3.805 6.242 725 2HB PRO 90 2HB PRO 90 13.578 -4.848 5.270 726 1HG PRO 90 1HG PRO 90 16.524 -5.033 5.756 727 2HG PRO 90 2HG PRO 90 15.311 -6.326 5.736 728 1HD PRO 90 1HD PRO 90 16.912 -5.958 3.655 729 2HD PRO 90 2HD PRO 90 15.203 -6.356 3.415 730 H GLU 91 H GLU 91 17.065 -2.575 3.500 731 HA GLU 91 HA GLU 91 17.570 -0.582 5.401 732 1HB GLU 91 1HB GLU 91 19.289 0.215 3.805 733 2HB GLU 91 2HB GLU 91 19.347 -1.530 4.014 734 1HG GLU 91 1HG GLU 91 18.308 -1.893 1.890 735 2HG GLU 91 2HG GLU 91 17.938 -0.184 1.716 736 H GLU 92 H GLU 92 15.807 -0.604 2.417 737 HA GLU 92 HA GLU 92 15.760 2.173 1.950 738 1HB GLU 92 1HB GLU 92 15.329 0.442 0.228 739 2HB GLU 92 2HB GLU 92 13.790 0.104 1.003 740 1HG GLU 92 1HG GLU 92 13.594 1.534 -1.016 741 2HG GLU 92 2HG GLU 92 12.951 2.276 0.448 742 H ILE 93 H ILE 93 14.005 0.167 4.082 743 HA ILE 93 HA ILE 93 11.629 1.604 4.403 744 HB ILE 93 HB ILE 93 13.148 -0.034 6.451 745 1HG1 ILE 93 1HG1 ILE 93 10.822 -0.779 4.672 746 2HG1 ILE 93 2HG1 ILE 93 12.494 -1.271 4.420 747 1HG2 ILE 93 1HG2 ILE 93 10.257 0.865 6.495 748 2HG2 ILE 93 2HG2 ILE 93 11.538 1.464 7.545 749 3HG2 ILE 93 3HG2 ILE 93 11.016 -0.219 7.665 750 1HD1 ILE 93 1HD1 ILE 93 12.435 -2.486 6.550 751 2HD1 ILE 93 2HD1 ILE 93 11.225 -3.065 5.411 752 3HD1 ILE 93 3HD1 ILE 93 10.744 -2.021 6.752 753 H GLU 94 H GLU 94 14.869 2.216 5.568 754 HA GLU 94 HA GLU 94 14.269 3.967 7.708 755 1HB GLU 94 1HB GLU 94 16.667 3.979 5.886 756 2HB GLU 94 2HB GLU 94 16.561 4.752 7.458 757 1HG GLU 94 1HG GLU 94 16.363 2.573 8.520 758 2HG GLU 94 2HG GLU 94 16.437 1.793 6.935 759 H ARG 95 H ARG 95 14.696 4.405 4.281 760 HA ARG 95 HA ARG 95 14.638 7.288 4.445 761 1HB ARG 95 1HB ARG 95 14.306 5.571 1.970 762 2HB ARG 95 2HB ARG 95 14.657 7.294 1.995 763 1HG ARG 95 1HG ARG 95 16.729 6.412 1.511 764 2HG ARG 95 2HG ARG 95 16.822 6.482 3.272 765 1HD ARG 95 1HD ARG 95 15.962 4.118 3.285 766 2HD ARG 95 2HD ARG 95 16.184 4.128 1.544 767 HE ARG 95 HE ARG 95 18.407 4.638 3.385 768 1HH1 ARG 95 1HH1 ARG 95 17.125 2.863 0.535 769 2HH1 ARG 95 2HH1 ARG 95 18.479 1.849 0.447 770 1HH2 ARG 95 1HH2 ARG 95 20.238 3.107 3.201 771 2HH2 ARG 95 2HH2 ARG 95 20.179 1.945 1.946 772 H ILE 96 H ILE 96 12.561 4.647 3.693 773 HA ILE 96 HA ILE 96 10.358 6.097 2.806 774 HB ILE 96 HB ILE 96 10.643 3.317 3.956 775 1HG1 ILE 96 1HG1 ILE 96 10.244 4.288 1.123 776 2HG1 ILE 96 2HG1 ILE 96 11.761 3.744 1.824 777 1HG2 ILE 96 1HG2 ILE 96 8.190 4.455 2.642 778 2HG2 ILE 96 2HG2 ILE 96 8.353 4.017 4.344 779 3HG2 ILE 96 3HG2 ILE 96 8.426 2.767 3.100 780 1HD1 ILE 96 1HD1 ILE 96 9.302 2.057 1.433 781 2HD1 ILE 96 2HD1 ILE 96 10.843 1.509 2.094 782 3HD1 ILE 96 3HD1 ILE 96 10.740 2.042 0.416 783 H LEU 97 H LEU 97 11.520 5.260 5.962 784 HA LEU 97 HA LEU 97 9.234 5.765 7.525 785 1HB LEU 97 1HB LEU 97 11.188 4.521 8.324 786 2HB LEU 97 2HB LEU 97 12.173 5.958 8.188 787 HG LEU 97 HG LEU 97 10.784 7.011 9.969 788 1HD1 LEU 97 1HD1 LEU 97 8.752 5.719 9.702 789 2HD1 LEU 97 2HD1 LEU 97 9.366 5.585 11.351 790 3HD1 LEU 97 3HD1 LEU 97 9.597 4.257 10.215 791 1HD2 LEU 97 1HD2 LEU 97 12.137 4.411 10.680 792 2HD2 LEU 97 2HD2 LEU 97 11.770 5.718 11.804 793 3HD2 LEU 97 3HD2 LEU 97 12.920 5.980 10.492 794 H GLU 98 H GLU 98 11.763 7.779 6.207 795 HA GLU 98 HA GLU 98 11.015 10.145 7.681 796 1HB GLU 98 1HB GLU 98 13.318 9.509 6.705 797 2HB GLU 98 2HB GLU 98 12.625 10.004 5.171 798 1HG GLU 98 1HG GLU 98 13.926 11.823 6.183 799 2HG GLU 98 2HG GLU 98 12.221 12.232 5.983 800 H VAL 99 H VAL 99 10.251 8.570 4.774 801 HA VAL 99 HA VAL 99 8.884 10.829 3.600 802 HB VAL 99 HB VAL 99 9.508 8.019 2.635 803 1HG1 VAL 99 1HG1 VAL 99 8.787 8.727 0.365 804 2HG1 VAL 99 2HG1 VAL 99 8.327 10.303 0.999 805 3HG1 VAL 99 3HG1 VAL 99 7.433 8.862 1.492 806 1HG2 VAL 99 1HG2 VAL 99 11.440 9.424 2.782 807 2HG2 VAL 99 2HG2 VAL 99 10.651 10.678 1.826 808 3HG2 VAL 99 3HG2 VAL 99 11.054 9.130 1.086 809 H ALA 100 H ALA 100 8.163 9.071 6.056 810 HA ALA 100 HA ALA 100 5.908 7.628 5.923 811 1HB ALA 100 1HB ALA 100 6.360 9.751 8.006 812 2HB ALA 100 2HB ALA 100 7.084 8.145 8.011 813 3HB ALA 100 3HB ALA 100 5.336 8.325 8.169 814 H GLU 101 H GLU 101 5.891 11.136 6.073 815 HA GLU 101 HA GLU 101 3.565 11.137 4.490 816 1HB GLU 101 1HB GLU 101 2.250 12.689 6.028 817 2HB GLU 101 2HB GLU 101 2.389 11.033 6.582 818 1HG GLU 101 1HG GLU 101 4.066 11.664 8.176 819 2HG GLU 101 2HG GLU 101 4.081 13.319 7.552 820 HA PRO 102 HA PRO 102 6.179 14.751 3.584 821 1HB PRO 102 1HB PRO 102 6.492 14.187 0.930 822 2HB PRO 102 2HB PRO 102 7.477 13.475 2.203 823 1HG PRO 102 1HG PRO 102 5.518 12.158 0.517 824 2HG PRO 102 2HG PRO 102 6.618 11.442 1.702 825 1HD PRO 102 1HD PRO 102 3.772 12.169 1.992 826 2HD PRO 102 2HD PRO 102 4.768 11.033 2.937 Start of MODEL 8 1 H HIS 1 H HIS 1 1.801 6.755 -12.560 2 HA HIS 1 HA HIS 1 1.775 9.140 -12.418 3 1HB HIS 1 1HB HIS 1 -0.577 9.464 -12.914 4 2HB HIS 1 2HB HIS 1 -0.049 7.946 -13.619 5 HD1 HIS 1 HD1 HIS 1 -1.124 5.732 -12.574 6 HD2 HIS 1 HD2 HIS 1 -2.522 9.307 -10.962 7 HE1 HIS 1 HE1 HIS 1 -3.190 5.157 -11.282 8 H MET 2 H MET 2 1.458 7.761 -9.426 9 HA MET 2 HA MET 2 1.236 8.476 -7.411 10 1HB MET 2 1HB MET 2 1.056 11.276 -8.529 11 2HB MET 2 2HB MET 2 1.198 10.862 -6.825 12 1HG MET 2 1HG MET 2 3.398 9.826 -7.265 13 2HG MET 2 2HG MET 2 3.251 10.296 -8.954 14 1HE MET 2 1HE MET 2 6.077 12.595 -7.473 15 2HE MET 2 2HE MET 2 5.685 11.389 -8.699 16 3HE MET 2 3HE MET 2 5.704 10.940 -6.994 17 H THR 3 H THR 3 -0.510 7.956 -6.383 18 HA THR 3 HA THR 3 -3.019 8.986 -7.414 19 HB THR 3 HB THR 3 -2.419 6.393 -6.058 20 HG1 THR 3 HG1 THR 3 -2.950 7.129 -8.766 21 1HG2 THR 3 1HG2 THR 3 -5.028 7.414 -7.223 22 2HG2 THR 3 2HG2 THR 3 -4.695 7.130 -5.514 23 3HG2 THR 3 3HG2 THR 3 -4.761 5.772 -6.636 24 H PHE 4 H PHE 4 -4.202 10.172 -6.033 25 HA PHE 4 HA PHE 4 -3.843 9.817 -3.142 26 1HB PHE 4 1HB PHE 4 -4.360 12.427 -4.565 27 2HB PHE 4 2HB PHE 4 -4.082 12.181 -2.834 28 HD1 PHE 4 HD1 PHE 4 -1.851 11.607 -2.005 29 HD2 PHE 4 HD2 PHE 4 -2.512 12.462 -6.112 30 HE1 PHE 4 HE1 PHE 4 0.577 11.771 -2.364 31 HE2 PHE 4 HE2 PHE 4 -0.099 12.639 -6.476 32 HZ PHE 4 HZ PHE 4 1.448 12.267 -4.608 33 H CYS 5 H CYS 5 -5.618 8.862 -5.262 34 HA CYS 5 HA CYS 5 -8.207 10.046 -4.715 35 1HB CYS 5 1HB CYS 5 -7.464 7.676 -6.426 36 2HB CYS 5 2HB CYS 5 -8.942 8.630 -6.501 37 HG CYS 5 HG CYS 5 -7.262 9.125 -8.750 38 H LEU 6 H LEU 6 -8.421 9.522 -2.541 39 HA LEU 6 HA LEU 6 -8.229 6.769 -1.885 40 1HB LEU 6 1HB LEU 6 -8.609 7.399 0.484 41 2HB LEU 6 2HB LEU 6 -7.183 8.043 -0.251 42 HG LEU 6 HG LEU 6 -8.018 9.525 1.308 43 1HD1 LEU 6 1HD1 LEU 6 -8.318 11.615 0.114 44 2HD1 LEU 6 2HD1 LEU 6 -8.616 10.728 -1.370 45 3HD1 LEU 6 3HD1 LEU 6 -7.039 10.619 -0.582 46 1HD2 LEU 6 1HD2 LEU 6 -10.226 10.641 1.183 47 2HD2 LEU 6 2HD2 LEU 6 -10.306 8.911 1.510 48 3HD2 LEU 6 3HD2 LEU 6 -10.673 9.520 -0.105 49 H GLU 7 H GLU 7 -10.788 9.088 -2.110 50 HA GLU 7 HA GLU 7 -12.717 7.254 -1.129 51 1HB GLU 7 1HB GLU 7 -13.251 9.532 -0.913 52 2HB GLU 7 2HB GLU 7 -12.863 9.896 -2.569 53 1HG GLU 7 1HG GLU 7 -14.919 8.547 -3.190 54 2HG GLU 7 2HG GLU 7 -15.296 8.507 -1.469 55 H THR 8 H THR 8 -10.997 7.224 -3.758 56 HA THR 8 HA THR 8 -12.830 6.238 -5.693 57 HB THR 8 HB THR 8 -9.800 6.091 -5.675 58 HG1 THR 8 HG1 THR 8 -11.637 8.089 -6.036 59 1HG2 THR 8 1HG2 THR 8 -11.800 6.000 -7.959 60 2HG2 THR 8 2HG2 THR 8 -10.892 4.614 -7.352 61 3HG2 THR 8 3HG2 THR 8 -10.043 5.956 -8.123 62 H TYR 9 H TYR 9 -11.011 4.968 -2.983 63 HA TYR 9 HA TYR 9 -10.922 2.257 -3.826 64 1HB TYR 9 1HB TYR 9 -10.404 1.644 -1.571 65 2HB TYR 9 2HB TYR 9 -9.708 3.237 -1.736 66 HD1 TYR 9 HD1 TYR 9 -10.155 4.799 -0.009 67 HD2 TYR 9 HD2 TYR 9 -12.748 1.487 -0.424 68 HE1 TYR 9 HE1 TYR 9 -11.243 5.397 2.100 69 HE2 TYR 9 HE2 TYR 9 -13.852 2.081 1.698 70 HH TYR 9 HH TYR 9 -13.180 3.319 3.779 71 H LEU 10 H LEU 10 -13.221 4.305 -2.466 72 HA LEU 10 HA LEU 10 -15.206 2.440 -1.803 73 1HB LEU 10 1HB LEU 10 -14.790 5.282 -1.891 74 2HB LEU 10 2HB LEU 10 -16.458 4.909 -2.096 75 HG LEU 10 HG LEU 10 -14.677 4.025 0.201 76 1HD1 LEU 10 1HD1 LEU 10 -16.839 6.149 0.083 77 2HD1 LEU 10 2HD1 LEU 10 -15.106 6.454 0.207 78 3HD1 LEU 10 3HD1 LEU 10 -15.959 5.665 1.532 79 1HD2 LEU 10 1HD2 LEU 10 -16.763 3.366 1.311 80 2HD2 LEU 10 2HD2 LEU 10 -16.492 2.450 -0.168 81 3HD2 LEU 10 3HD2 LEU 10 -17.662 3.769 -0.149 82 H GLN 11 H GLN 11 -14.441 4.353 -4.621 83 HA GLN 11 HA GLN 11 -16.825 3.645 -6.040 84 1HB GLN 11 1HB GLN 11 -14.246 4.915 -6.967 85 2HB GLN 11 2HB GLN 11 -15.623 4.628 -8.016 86 1HG GLN 11 1HG GLN 11 -15.592 6.406 -5.583 87 2HG GLN 11 2HG GLN 11 -15.561 6.938 -7.264 88 1HE2 GLN 11 1HE2 GLN 11 -17.523 5.738 -4.687 89 2HE2 GLN 11 2HE2 GLN 11 -19.034 5.896 -5.491 90 H GLN 12 H GLN 12 -13.629 2.336 -5.658 91 HA GLN 12 HA GLN 12 -14.020 0.461 -7.790 92 1HB GLN 12 1HB GLN 12 -11.860 0.450 -5.658 93 2HB GLN 12 2HB GLN 12 -11.873 -0.550 -7.102 94 1HG GLN 12 1HG GLN 12 -11.763 1.542 -8.468 95 2HG GLN 12 2HG GLN 12 -11.596 2.444 -6.968 96 1HE2 GLN 12 1HE2 GLN 12 -10.030 0.350 -9.224 97 2HE2 GLN 12 2HE2 GLN 12 -8.451 0.466 -8.565 98 H SER 13 H SER 13 -14.913 0.732 -4.587 99 HA SER 13 HA SER 13 -16.273 -0.409 -3.332 100 1HB SER 13 1HB SER 13 -16.392 -2.438 -5.571 101 2HB SER 13 2HB SER 13 -17.467 -2.404 -4.167 102 HG SER 13 HG SER 13 -17.778 -0.087 -4.940 103 H GLY 14 H GLY 14 -13.507 -0.611 -3.140 104 1HA GLY 14 1HA GLY 14 -13.340 -3.138 -1.715 105 2HA GLY 14 2HA GLY 14 -12.056 -2.687 -2.830 106 H GLU 15 H GLU 15 -13.631 -1.958 0.201 107 HA GLU 15 HA GLU 15 -12.099 0.212 0.792 108 1HB GLU 15 1HB GLU 15 -12.610 -0.340 3.261 109 2HB GLU 15 2HB GLU 15 -13.947 0.023 2.192 110 1HG GLU 15 1HG GLU 15 -13.166 -2.811 2.659 111 2HG GLU 15 2HG GLU 15 -14.075 -1.931 3.880 112 H TYR 16 H TYR 16 -10.179 0.564 1.367 113 HA TYR 16 HA TYR 16 -8.385 -1.516 2.388 114 1HB TYR 16 1HB TYR 16 -8.361 -1.590 -0.072 115 2HB TYR 16 2HB TYR 16 -8.061 0.128 -0.133 116 HD1 TYR 16 HD1 TYR 16 -6.550 -3.056 1.084 117 HD2 TYR 16 HD2 TYR 16 -5.880 0.877 -0.388 118 HE1 TYR 16 HE1 TYR 16 -4.152 -3.540 0.876 119 HE2 TYR 16 HE2 TYR 16 -3.481 0.406 -0.586 120 HH TYR 16 HH TYR 16 -1.835 -1.114 0.315 121 H GLU 17 H GLU 17 -9.769 1.275 2.965 122 HA GLU 17 HA GLU 17 -7.421 2.586 4.033 123 1HB GLU 17 1HB GLU 17 -9.305 3.917 2.124 124 2HB GLU 17 2HB GLU 17 -8.125 4.755 3.098 125 1HG GLU 17 1HG GLU 17 -6.354 3.526 1.886 126 2HG GLU 17 2HG GLU 17 -7.615 2.827 0.860 127 H ILE 18 H ILE 18 -8.275 4.731 5.036 128 HA ILE 18 HA ILE 18 -10.802 4.040 6.258 129 HB ILE 18 HB ILE 18 -9.068 3.871 7.970 130 1HG1 ILE 18 1HG1 ILE 18 -10.901 6.211 8.563 131 2HG1 ILE 18 2HG1 ILE 18 -11.292 4.512 8.767 132 1HG2 ILE 18 1HG2 ILE 18 -7.383 5.292 7.348 133 2HG2 ILE 18 2HG2 ILE 18 -7.977 5.940 8.880 134 3HG2 ILE 18 3HG2 ILE 18 -8.434 6.706 7.359 135 1HD1 ILE 18 1HD1 ILE 18 -9.195 6.042 10.300 136 2HD1 ILE 18 2HD1 ILE 18 -9.599 4.340 10.524 137 3HD1 ILE 18 3HD1 ILE 18 -10.791 5.584 10.895 138 H HIS 19 H HIS 19 -10.225 5.619 3.889 139 HA HIS 19 HA HIS 19 -11.145 7.414 2.700 140 1HB HIS 19 1HB HIS 19 -13.210 6.292 3.672 141 2HB HIS 19 2HB HIS 19 -13.141 7.438 4.999 142 HD1 HIS 19 HD1 HIS 19 -15.601 8.195 4.244 143 HD2 HIS 19 HD2 HIS 19 -12.574 8.937 1.491 144 HE1 HIS 19 HE1 HIS 19 -16.549 9.815 2.595 145 H MET 20 H MET 20 -9.087 7.910 4.432 146 HA MET 20 HA MET 20 -9.616 10.551 5.534 147 1HB MET 20 1HB MET 20 -7.683 8.404 6.057 148 2HB MET 20 2HB MET 20 -7.119 10.036 6.437 149 1HG MET 20 1HG MET 20 -9.517 8.552 7.515 150 2HG MET 20 2HG MET 20 -8.016 8.877 8.380 151 1HE MET 20 1HE MET 20 -9.308 9.873 10.436 152 2HE MET 20 2HE MET 20 -10.828 9.484 9.633 153 3HE MET 20 3HE MET 20 -10.570 11.097 10.301 154 H LYS 21 H LYS 21 -6.466 9.734 4.549 155 HA LYS 21 HA LYS 21 -6.677 11.010 1.974 156 1HB LYS 21 1HB LYS 21 -6.278 12.935 3.491 157 2HB LYS 21 2HB LYS 21 -4.848 12.133 4.126 158 1HG LYS 21 1HG LYS 21 -3.859 12.178 1.860 159 2HG LYS 21 2HG LYS 21 -5.262 13.081 1.298 160 1HD LYS 21 1HD LYS 21 -4.740 14.880 2.834 161 2HD LYS 21 2HD LYS 21 -3.364 13.969 3.464 162 1HE LYS 21 1HE LYS 21 -2.390 13.967 1.185 163 2HE LYS 21 2HE LYS 21 -3.711 14.992 0.644 164 1HZ LYS 21 1HZ LYS 21 -1.595 15.648 2.610 165 2HZ LYS 21 2HZ LYS 21 -2.974 16.609 2.379 166 3HZ LYS 21 3HZ LYS 21 -1.877 16.383 1.122 167 H ARG 22 H ARG 22 -5.346 9.957 0.617 168 HA ARG 22 HA ARG 22 -3.395 8.172 1.878 169 1HB ARG 22 1HB ARG 22 -4.039 6.486 0.349 170 2HB ARG 22 2HB ARG 22 -5.477 7.342 0.629 171 1HG ARG 22 1HG ARG 22 -5.355 8.588 -1.403 172 2HG ARG 22 2HG ARG 22 -3.746 7.963 -1.739 173 1HD ARG 22 1HD ARG 22 -6.240 6.303 -1.549 174 2HD ARG 22 2HD ARG 22 -5.540 6.924 -3.040 175 HE ARG 22 HE ARG 22 -3.463 5.508 -2.165 176 1HH1 ARG 22 1HH1 ARG 22 -6.827 4.481 -1.759 177 2HH1 ARG 22 2HH1 ARG 22 -6.521 2.882 -2.210 178 1HH2 ARG 22 1HH2 ARG 22 -3.038 3.379 -2.653 179 2HH2 ARG 22 2HH2 ARG 22 -4.261 2.193 -2.714 180 H ALA 23 H ALA 23 -1.359 7.925 0.727 181 HA ALA 23 HA ALA 23 -0.897 9.832 -1.437 182 1HB ALA 23 1HB ALA 23 0.947 9.432 0.925 183 2HB ALA 23 2HB ALA 23 -0.064 10.849 0.644 184 3HB ALA 23 3HB ALA 23 1.255 10.473 -0.465 185 H GLY 24 H GLY 24 -0.932 8.164 -2.958 186 1HA GLY 24 1HA GLY 24 1.078 6.088 -2.590 187 2HA GLY 24 2HA GLY 24 -0.345 5.938 -3.616 188 H PHE 25 H PHE 25 2.793 7.333 -3.232 189 HA PHE 25 HA PHE 25 2.786 8.670 -5.736 190 1HB PHE 25 1HB PHE 25 5.140 7.924 -4.000 191 2HB PHE 25 2HB PHE 25 5.173 9.040 -5.360 192 HD1 PHE 25 HD1 PHE 25 4.234 8.542 -1.913 193 HD2 PHE 25 HD2 PHE 25 4.094 11.213 -5.202 194 HE1 PHE 25 HE1 PHE 25 3.642 10.368 -0.391 195 HE2 PHE 25 HE2 PHE 25 3.498 13.057 -3.683 196 HZ PHE 25 HZ PHE 25 3.272 12.636 -1.280 197 H ARG 26 H ARG 26 4.857 6.040 -4.679 198 HA ARG 26 HA ARG 26 5.175 5.304 -7.472 199 1HB ARG 26 1HB ARG 26 6.520 4.130 -5.052 200 2HB ARG 26 2HB ARG 26 6.865 3.686 -6.710 201 1HG ARG 26 1HG ARG 26 7.560 6.055 -7.100 202 2HG ARG 26 2HG ARG 26 7.414 6.321 -5.359 203 1HD ARG 26 1HD ARG 26 8.993 4.463 -4.961 204 2HD ARG 26 2HD ARG 26 9.199 4.271 -6.691 205 HE ARG 26 HE ARG 26 9.963 6.722 -5.237 206 1HH1 ARG 26 1HH1 ARG 26 10.660 4.417 -7.812 207 2HH1 ARG 26 2HH1 ARG 26 12.287 4.896 -8.013 208 1HH2 ARG 26 1HH2 ARG 26 12.199 7.356 -5.488 209 2HH2 ARG 26 2HH2 ARG 26 13.185 6.604 -6.659 210 H GLU 27 H GLU 27 3.598 4.118 -4.654 211 HA GLU 27 HA GLU 27 3.106 1.545 -5.809 212 1HB GLU 27 1HB GLU 27 2.453 2.775 -3.237 213 2HB GLU 27 2HB GLU 27 1.338 1.507 -3.780 214 1HG GLU 27 1HG GLU 27 3.013 -0.052 -3.792 215 2HG GLU 27 2HG GLU 27 4.287 1.165 -3.747 216 H CYS 28 H CYS 28 1.769 4.474 -6.475 217 HA CYS 28 HA CYS 28 -0.874 4.044 -6.901 218 1HB CYS 28 1HB CYS 28 -0.646 5.640 -8.764 219 2HB CYS 28 2HB CYS 28 0.318 6.110 -7.367 220 HG CYS 28 HG CYS 28 2.656 6.019 -8.451 221 H ALA 29 H ALA 29 1.854 2.846 -8.820 222 HA ALA 29 HA ALA 29 0.267 1.675 -10.897 223 1HB ALA 29 1HB ALA 29 2.351 0.659 -11.637 224 2HB ALA 29 2HB ALA 29 3.128 1.119 -10.123 225 3HB ALA 29 3HB ALA 29 2.600 2.363 -11.257 226 H ALA 30 H ALA 30 1.809 0.492 -7.976 227 HA ALA 30 HA ALA 30 1.288 -2.220 -8.247 228 1HB ALA 30 1HB ALA 30 1.424 -0.590 -5.717 229 2HB ALA 30 2HB ALA 30 2.807 -1.261 -6.578 230 3HB ALA 30 3HB ALA 30 1.618 -2.339 -5.843 231 H MET 31 H MET 31 -0.547 0.304 -6.569 232 HA MET 31 HA MET 31 -2.581 -1.283 -5.544 233 1HB MET 31 1HB MET 31 -4.019 0.655 -5.298 234 2HB MET 31 2HB MET 31 -2.371 1.085 -4.885 235 1HG MET 31 1HG MET 31 -2.087 2.249 -6.952 236 2HG MET 31 2HG MET 31 -3.625 1.653 -7.553 237 1HE MET 31 1HE MET 31 -5.616 2.019 -5.124 238 2HE MET 31 2HE MET 31 -5.971 2.518 -6.777 239 3HE MET 31 3HE MET 31 -6.217 3.646 -5.444 240 H ILE 32 H ILE 32 -2.352 0.034 -8.780 241 HA ILE 32 HA ILE 32 -4.970 -0.381 -9.647 242 HB ILE 32 HB ILE 32 -2.376 -0.531 -11.213 243 1HG1 ILE 32 1HG1 ILE 32 -4.321 1.756 -10.850 244 2HG1 ILE 32 2HG1 ILE 32 -2.752 1.619 -10.072 245 1HG2 ILE 32 1HG2 ILE 32 -3.740 -0.083 -13.213 246 2HG2 ILE 32 2HG2 ILE 32 -5.199 -0.205 -12.229 247 3HG2 ILE 32 3HG2 ILE 32 -4.170 -1.618 -12.452 248 1HD1 ILE 32 1HD1 ILE 32 -1.664 1.732 -12.263 249 2HD1 ILE 32 2HD1 ILE 32 -2.663 3.149 -11.954 250 3HD1 ILE 32 3HD1 ILE 32 -3.243 1.878 -13.034 251 H GLU 33 H GLU 33 -2.176 -2.502 -9.792 252 HA GLU 33 HA GLU 33 -3.855 -4.580 -10.892 253 1HB GLU 33 1HB GLU 33 -0.916 -4.656 -10.239 254 2HB GLU 33 2HB GLU 33 -1.809 -5.946 -11.045 255 1HG GLU 33 1HG GLU 33 -2.415 -4.302 -12.824 256 2HG GLU 33 2HG GLU 33 -1.305 -3.172 -12.062 257 H LYS 34 H LYS 34 -2.589 -3.730 -7.803 258 HA LYS 34 HA LYS 34 -2.853 -6.085 -6.376 259 1HB LYS 34 1HB LYS 34 -3.009 -3.202 -5.770 260 2HB LYS 34 2HB LYS 34 -3.515 -4.330 -4.530 261 1HG LYS 34 1HG LYS 34 -1.386 -5.234 -4.296 262 2HG LYS 34 2HG LYS 34 -0.838 -4.651 -5.861 263 1HD LYS 34 1HD LYS 34 0.076 -3.503 -3.852 264 2HD LYS 34 2HD LYS 34 -0.630 -2.462 -5.075 265 1HE LYS 34 1HE LYS 34 -1.237 -1.760 -2.754 266 2HE LYS 34 2HE LYS 34 -2.648 -2.171 -3.714 267 1HZ LYS 34 1HZ LYS 34 -1.422 -4.188 -1.947 268 2HZ LYS 34 2HZ LYS 34 -3.043 -4.077 -2.424 269 3HZ LYS 34 3HZ LYS 34 -2.389 -2.986 -1.322 270 H LYS 35 H LYS 35 -5.265 -4.040 -7.697 271 HA LYS 35 HA LYS 35 -7.436 -4.517 -6.026 272 1HB LYS 35 1HB LYS 35 -7.465 -2.834 -7.807 273 2HB LYS 35 2HB LYS 35 -7.437 -4.102 -9.024 274 1HG LYS 35 1HG LYS 35 -9.612 -4.913 -8.142 275 2HG LYS 35 2HG LYS 35 -9.648 -3.518 -7.068 276 1HD LYS 35 1HD LYS 35 -9.673 -2.020 -8.960 277 2HD LYS 35 2HD LYS 35 -9.496 -3.381 -10.076 278 1HE LYS 35 1HE LYS 35 -11.615 -4.294 -9.258 279 2HE LYS 35 2HE LYS 35 -11.809 -2.891 -8.211 280 1HZ LYS 35 1HZ LYS 35 -11.857 -1.490 -10.210 281 2HZ LYS 35 2HZ LYS 35 -13.070 -2.656 -10.265 282 3HZ LYS 35 3HZ LYS 35 -11.682 -2.854 -11.176 283 H ALA 36 H ALA 36 -5.863 -6.642 -8.234 284 HA ALA 36 HA ALA 36 -8.058 -8.402 -8.683 285 1HB ALA 36 1HB ALA 36 -6.180 -8.306 -10.244 286 2HB ALA 36 2HB ALA 36 -6.350 -9.939 -9.606 287 3HB ALA 36 3HB ALA 36 -5.089 -8.870 -8.987 288 H ARG 37 H ARG 37 -5.050 -8.842 -6.836 289 HA ARG 37 HA ARG 37 -6.342 -9.543 -4.488 290 1HB ARG 37 1HB ARG 37 -5.510 -11.842 -4.185 291 2HB ARG 37 2HB ARG 37 -6.900 -11.676 -5.262 292 1HG ARG 37 1HG ARG 37 -5.295 -11.962 -7.162 293 2HG ARG 37 2HG ARG 37 -4.017 -12.248 -5.972 294 1HD ARG 37 1HD ARG 37 -5.350 -14.112 -5.050 295 2HD ARG 37 2HD ARG 37 -6.542 -13.855 -6.320 296 HE ARG 37 HE ARG 37 -3.844 -14.309 -7.206 297 1HH1 ARG 37 1HH1 ARG 37 -6.964 -15.795 -6.428 298 2HH1 ARG 37 2HH1 ARG 37 -6.685 -17.222 -7.309 299 1HH2 ARG 37 1HH2 ARG 37 -3.431 -16.286 -8.423 300 2HH2 ARG 37 2HH2 ARG 37 -4.633 -17.492 -8.505 301 H ARG 38 H ARG 38 -3.255 -10.338 -6.064 302 HA ARG 38 HA ARG 38 -2.146 -8.645 -4.161 303 1HB ARG 38 1HB ARG 38 -0.453 -10.221 -3.212 304 2HB ARG 38 2HB ARG 38 -2.103 -10.631 -2.795 305 1HG ARG 38 1HG ARG 38 -2.105 -12.494 -4.261 306 2HG ARG 38 2HG ARG 38 -0.577 -11.994 -5.000 307 1HD ARG 38 1HD ARG 38 0.547 -12.289 -2.834 308 2HD ARG 38 2HD ARG 38 -0.973 -12.816 -2.127 309 HE ARG 38 HE ARG 38 -0.867 -14.783 -3.442 310 1HH1 ARG 38 1HH1 ARG 38 2.074 -12.835 -3.789 311 2HH1 ARG 38 2HH1 ARG 38 3.108 -14.162 -4.016 312 1HH2 ARG 38 1HH2 ARG 38 0.567 -16.603 -3.724 313 2HH2 ARG 38 2HH2 ARG 38 2.227 -16.371 -3.998 314 H VAL 39 H VAL 39 -0.522 -7.544 -5.274 315 HA VAL 39 HA VAL 39 0.845 -8.956 -7.435 316 HB VAL 39 HB VAL 39 -0.358 -6.152 -7.622 317 1HG1 VAL 39 1HG1 VAL 39 0.604 -6.006 -9.873 318 2HG1 VAL 39 2HG1 VAL 39 1.426 -7.543 -9.633 319 3HG1 VAL 39 3HG1 VAL 39 1.879 -6.146 -8.662 320 1HG2 VAL 39 1HG2 VAL 39 -0.779 -8.615 -9.293 321 2HG2 VAL 39 2HG2 VAL 39 -1.618 -7.066 -9.457 322 3HG2 VAL 39 3HG2 VAL 39 -1.854 -8.051 -8.019 323 H VAL 40 H VAL 40 2.951 -8.376 -7.799 324 HA VAL 40 HA VAL 40 4.162 -6.986 -5.582 325 HB VAL 40 HB VAL 40 5.144 -9.186 -5.808 326 1HG1 VAL 40 1HG1 VAL 40 5.569 -8.554 -8.728 327 2HG1 VAL 40 2HG1 VAL 40 4.414 -9.714 -8.066 328 3HG1 VAL 40 3HG1 VAL 40 6.148 -9.998 -7.904 329 1HG2 VAL 40 1HG2 VAL 40 7.056 -7.241 -7.116 330 2HG2 VAL 40 2HG2 VAL 40 7.506 -8.765 -6.348 331 3HG2 VAL 40 3HG2 VAL 40 6.823 -7.458 -5.382 332 H HIS 41 H HIS 41 5.458 -5.207 -5.828 333 HA HIS 41 HA HIS 41 5.805 -4.271 -8.529 334 1HB HIS 41 1HB HIS 41 3.702 -3.280 -7.638 335 2HB HIS 41 2HB HIS 41 4.606 -2.622 -6.288 336 HD1 HIS 41 HD1 HIS 41 5.515 -0.259 -6.626 337 HD2 HIS 41 HD2 HIS 41 4.400 -2.096 -10.186 338 HE1 HIS 41 HE1 HIS 41 5.739 1.474 -8.414 339 H ILE 42 H ILE 42 7.841 -3.472 -8.705 340 HA ILE 42 HA ILE 42 9.400 -3.253 -6.277 341 HB ILE 42 HB ILE 42 10.379 -4.568 -8.155 342 1HG1 ILE 42 1HG1 ILE 42 11.908 -2.007 -7.601 343 2HG1 ILE 42 2HG1 ILE 42 11.884 -3.425 -6.569 344 1HG2 ILE 42 1HG2 ILE 42 10.341 -1.977 -9.693 345 2HG2 ILE 42 2HG2 ILE 42 9.390 -3.421 -10.042 346 3HG2 ILE 42 3HG2 ILE 42 11.145 -3.460 -10.210 347 1HD1 ILE 42 1HD1 ILE 42 12.988 -4.716 -8.320 348 2HD1 ILE 42 2HD1 ILE 42 13.932 -3.298 -7.861 349 3HD1 ILE 42 3HD1 ILE 42 13.002 -3.291 -9.359 350 H LYS 43 H LYS 43 10.438 -1.352 -5.686 351 HA LYS 43 HA LYS 43 10.681 0.829 -5.359 352 1HB LYS 43 1HB LYS 43 9.793 1.179 -8.229 353 2HB LYS 43 2HB LYS 43 10.437 2.462 -7.223 354 1HG LYS 43 1HG LYS 43 12.579 1.271 -7.091 355 2HG LYS 43 2HG LYS 43 11.922 -0.011 -8.105 356 1HD LYS 43 1HD LYS 43 12.181 2.876 -8.934 357 2HD LYS 43 2HD LYS 43 13.343 1.614 -9.340 358 1HE LYS 43 1HE LYS 43 11.596 0.403 -10.566 359 2HE LYS 43 2HE LYS 43 10.426 1.649 -10.137 360 1HZ LYS 43 1HZ LYS 43 12.864 2.095 -11.767 361 2HZ LYS 43 2HZ LYS 43 11.701 3.251 -11.404 362 3HZ LYS 43 3HZ LYS 43 11.309 1.930 -12.378 363 HA PRO 44 HA PRO 44 6.082 1.313 -4.774 364 1HB PRO 44 1HB PRO 44 5.870 0.613 -2.224 365 2HB PRO 44 2HB PRO 44 5.977 -0.598 -3.518 366 1HG PRO 44 1HG PRO 44 8.191 0.488 -1.805 367 2HG PRO 44 2HG PRO 44 7.736 -1.214 -2.015 368 1HD PRO 44 1HD PRO 44 9.678 -0.174 -3.466 369 2HD PRO 44 2HD PRO 44 8.489 -1.280 -4.183 370 H GLY 45 H GLY 45 5.029 2.819 -3.065 371 1HA GLY 45 1HA GLY 45 6.535 4.337 -1.305 372 2HA GLY 45 2HA GLY 45 6.513 5.182 -2.846 373 H GLU 46 H GLU 46 4.060 3.323 -1.002 374 HA GLU 46 HA GLU 46 2.451 5.745 -1.055 375 1HB GLU 46 1HB GLU 46 1.385 4.195 -2.526 376 2HB GLU 46 2HB GLU 46 1.579 2.882 -1.386 377 1HG GLU 46 1HG GLU 46 -0.081 3.703 0.010 378 2HG GLU 46 2HG GLU 46 -0.104 5.277 -0.780 379 H LYS 47 H LYS 47 1.492 6.406 0.688 380 HA LYS 47 HA LYS 47 1.690 4.834 3.112 381 1HB LYS 47 1HB LYS 47 2.932 7.344 2.510 382 2HB LYS 47 2HB LYS 47 1.664 7.620 3.700 383 1HG LYS 47 1HG LYS 47 3.770 5.501 4.004 384 2HG LYS 47 2HG LYS 47 3.950 7.136 4.633 385 1HD LYS 47 1HD LYS 47 2.191 6.894 6.092 386 2HD LYS 47 2HD LYS 47 1.587 5.413 5.345 387 1HE LYS 47 1HE LYS 47 3.775 4.354 6.029 388 2HE LYS 47 2HE LYS 47 4.145 5.842 6.896 389 1HZ LYS 47 1HZ LYS 47 2.150 5.455 8.262 390 2HZ LYS 47 2HZ LYS 47 3.288 4.263 8.381 391 3HZ LYS 47 3HZ LYS 47 1.900 3.974 7.482 392 H ILE 48 H ILE 48 -0.349 4.329 3.561 393 HA ILE 48 HA ILE 48 -2.335 6.176 2.586 394 HB ILE 48 HB ILE 48 -3.999 4.374 2.950 395 1HG1 ILE 48 1HG1 ILE 48 -1.571 2.590 3.275 396 2HG1 ILE 48 2HG1 ILE 48 -2.738 2.976 4.535 397 1HG2 ILE 48 1HG2 ILE 48 -3.136 4.867 0.734 398 2HG2 ILE 48 2HG2 ILE 48 -3.436 3.142 0.916 399 3HG2 ILE 48 3HG2 ILE 48 -1.792 3.762 1.011 400 1HD1 ILE 48 1HD1 ILE 48 -3.128 0.752 3.566 401 2HD1 ILE 48 2HD1 ILE 48 -3.349 1.493 1.985 402 3HD1 ILE 48 3HD1 ILE 48 -4.486 1.838 3.286 403 H LEU 49 H LEU 49 -3.312 7.422 3.802 404 HA LEU 49 HA LEU 49 -4.253 8.521 5.474 405 1HB LEU 49 1HB LEU 49 -4.842 5.955 6.904 406 2HB LEU 49 2HB LEU 49 -5.765 7.431 6.899 407 HG LEU 49 HG LEU 49 -7.121 6.112 5.669 408 1HD1 LEU 49 1HD1 LEU 49 -7.022 6.499 3.315 409 2HD1 LEU 49 2HD1 LEU 49 -5.409 7.176 3.513 410 3HD1 LEU 49 3HD1 LEU 49 -6.787 7.949 4.286 411 1HD2 LEU 49 1HD2 LEU 49 -6.304 4.363 4.043 412 2HD2 LEU 49 2HD2 LEU 49 -5.987 4.093 5.750 413 3HD2 LEU 49 3HD2 LEU 49 -4.690 4.665 4.710 414 H GLY 50 H GLY 50 -1.389 7.502 5.896 415 1HA GLY 50 1HA GLY 50 0.142 8.069 7.545 416 2HA GLY 50 2HA GLY 50 -1.190 8.470 8.624 417 H ALA 51 H ALA 51 -2.611 6.163 8.542 418 HA ALA 51 HA ALA 51 -0.846 4.096 9.614 419 1HB ALA 51 1HB ALA 51 -3.550 4.947 10.669 420 2HB ALA 51 2HB ALA 51 -2.003 5.256 11.452 421 3HB ALA 51 3HB ALA 51 -2.582 3.599 11.272 422 H ARG 52 H ARG 52 -1.133 2.284 8.581 423 HA ARG 52 HA ARG 52 -2.924 2.044 6.416 424 1HB ARG 52 1HB ARG 52 -0.743 0.995 6.430 425 2HB ARG 52 2HB ARG 52 -1.184 0.022 7.817 426 1HG ARG 52 1HG ARG 52 -2.822 -1.176 6.460 427 2HG ARG 52 2HG ARG 52 -2.386 -0.184 5.066 428 1HD ARG 52 1HD ARG 52 -1.238 -2.346 5.018 429 2HD ARG 52 2HD ARG 52 -0.102 -1.005 5.170 430 HE ARG 52 HE ARG 52 -0.957 -2.205 7.646 431 1HH1 ARG 52 1HH1 ARG 52 1.583 -2.040 5.180 432 2HH1 ARG 52 2HH1 ARG 52 2.728 -2.890 6.097 433 1HH2 ARG 52 1HH2 ARG 52 0.630 -3.280 8.946 434 2HH2 ARG 52 2HH2 ARG 52 2.172 -3.613 8.326 435 H ILE 53 H ILE 53 -5.083 2.109 6.968 436 HA ILE 53 HA ILE 53 -6.061 -0.056 8.674 437 HB ILE 53 HB ILE 53 -7.242 2.708 8.214 438 1HG1 ILE 53 1HG1 ILE 53 -6.068 1.500 10.732 439 2HG1 ILE 53 2HG1 ILE 53 -5.273 2.695 9.716 440 1HG2 ILE 53 1HG2 ILE 53 -8.944 2.058 9.878 441 2HG2 ILE 53 2HG2 ILE 53 -8.247 0.439 9.942 442 3HG2 ILE 53 3HG2 ILE 53 -8.991 1.018 8.452 443 1HD1 ILE 53 1HD1 ILE 53 -7.814 3.087 11.277 444 2HD1 ILE 53 2HD1 ILE 53 -7.056 4.291 10.234 445 3HD1 ILE 53 3HD1 ILE 53 -6.221 3.726 11.680 446 H ILE 54 H ILE 54 -7.237 -1.463 7.552 447 HA ILE 54 HA ILE 54 -7.836 -0.961 4.771 448 HB ILE 54 HB ILE 54 -8.407 -3.350 6.543 449 1HG1 ILE 54 1HG1 ILE 54 -6.008 -3.002 6.381 450 2HG1 ILE 54 2HG1 ILE 54 -6.458 -4.412 5.434 451 1HG2 ILE 54 1HG2 ILE 54 -8.494 -3.190 3.539 452 2HG2 ILE 54 2HG2 ILE 54 -9.884 -3.290 4.616 453 3HG2 ILE 54 3HG2 ILE 54 -8.750 -4.637 4.516 454 1HD1 ILE 54 1HD1 ILE 54 -6.307 -3.064 3.391 455 2HD1 ILE 54 2HD1 ILE 54 -4.790 -3.097 4.286 456 3HD1 ILE 54 3HD1 ILE 54 -5.822 -1.669 4.357 457 H GLY 55 H GLY 55 -9.440 -1.356 7.806 458 1HA GLY 55 1HA GLY 55 -11.533 -0.389 8.397 459 2HA GLY 55 2HA GLY 55 -11.942 -0.308 6.684 460 H ILE 56 H ILE 56 -10.632 -3.154 6.881 461 HA ILE 56 HA ILE 56 -12.957 -4.653 7.808 462 HB ILE 56 HB ILE 56 -11.609 -4.828 5.098 463 1HG1 ILE 56 1HG1 ILE 56 -13.495 -3.310 5.256 464 2HG1 ILE 56 2HG1 ILE 56 -13.877 -4.665 4.197 465 1HG2 ILE 56 1HG2 ILE 56 -12.863 -6.889 4.608 466 2HG2 ILE 56 2HG2 ILE 56 -13.428 -6.935 6.277 467 3HG2 ILE 56 3HG2 ILE 56 -11.710 -7.116 5.924 468 1HD1 ILE 56 1HD1 ILE 56 -14.825 -4.265 7.041 469 2HD1 ILE 56 2HD1 ILE 56 -15.168 -5.678 6.049 470 3HD1 ILE 56 3HD1 ILE 56 -15.785 -4.098 5.571 471 HA PRO 57 HA PRO 57 -9.686 -6.829 9.953 472 1HB PRO 57 1HB PRO 57 -11.573 -9.113 9.678 473 2HB PRO 57 2HB PRO 57 -10.770 -8.494 11.125 474 1HG PRO 57 1HG PRO 57 -13.344 -8.012 10.713 475 2HG PRO 57 2HG PRO 57 -12.285 -6.753 11.374 476 1HD PRO 57 1HD PRO 57 -13.376 -7.053 8.611 477 2HD PRO 57 2HD PRO 57 -13.116 -5.587 9.581 478 HA PRO 58 HA PRO 58 -8.230 -9.039 6.281 479 1HB PRO 58 1HB PRO 58 -5.565 -8.312 6.812 480 2HB PRO 58 2HB PRO 58 -6.658 -7.510 5.686 481 1HG PRO 58 1HG PRO 58 -5.623 -6.417 8.068 482 2HG PRO 58 2HG PRO 58 -6.938 -5.755 7.088 483 1HD PRO 58 1HD PRO 58 -7.067 -7.363 9.585 484 2HD PRO 58 2HD PRO 58 -8.158 -6.096 8.975 485 H VAL 59 H VAL 59 -6.865 -10.808 6.039 486 HA VAL 59 HA VAL 59 -6.766 -12.552 8.194 487 HB VAL 59 HB VAL 59 -5.320 -12.737 5.514 488 1HG1 VAL 59 1HG1 VAL 59 -4.245 -14.255 7.155 489 2HG1 VAL 59 2HG1 VAL 59 -5.063 -15.118 5.857 490 3HG1 VAL 59 3HG1 VAL 59 -5.815 -15.012 7.445 491 1HG2 VAL 59 1HG2 VAL 59 -7.737 -12.626 5.358 492 2HG2 VAL 59 2HG2 VAL 59 -7.884 -13.974 6.481 493 3HG2 VAL 59 3HG2 VAL 59 -7.154 -14.227 4.898 494 HA PRO 60 HA PRO 60 -3.366 -11.508 10.893 495 1HB PRO 60 1HB PRO 60 -2.389 -14.125 11.223 496 2HB PRO 60 2HB PRO 60 -3.585 -13.284 12.208 497 1HG PRO 60 1HG PRO 60 -3.987 -15.154 9.921 498 2HG PRO 60 2HG PRO 60 -4.910 -15.011 11.429 499 1HD PRO 60 1HD PRO 60 -5.932 -14.069 9.224 500 2HD PRO 60 2HD PRO 60 -6.010 -13.076 10.694 501 H ILE 61 H ILE 61 -2.491 -11.504 7.980 502 HA ILE 61 HA ILE 61 -0.836 -10.949 6.871 503 HB ILE 61 HB ILE 61 1.056 -10.041 7.614 504 1HG1 ILE 61 1HG1 ILE 61 0.942 -11.503 10.299 505 2HG1 ILE 61 2HG1 ILE 61 2.015 -11.915 8.969 506 1HG2 ILE 61 1HG2 ILE 61 0.494 -8.626 9.647 507 2HG2 ILE 61 2HG2 ILE 61 -0.904 -9.673 9.892 508 3HG2 ILE 61 3HG2 ILE 61 -0.772 -8.709 8.423 509 1HD1 ILE 61 1HD1 ILE 61 3.186 -10.716 10.731 510 2HD1 ILE 61 2HD1 ILE 61 2.073 -9.357 10.556 511 3HD1 ILE 61 3HD1 ILE 61 3.164 -9.777 9.237 512 H GLY 62 H GLY 62 1.816 -11.635 6.799 513 1HA GLY 62 1HA GLY 62 1.545 -14.452 6.714 514 2HA GLY 62 2HA GLY 62 1.799 -13.579 5.186 515 H ILE 63 H ILE 63 3.822 -13.313 4.559 516 HA ILE 63 HA ILE 63 5.996 -13.561 6.511 517 HB ILE 63 HB ILE 63 5.891 -14.057 3.522 518 1HG1 ILE 63 1HG1 ILE 63 4.852 -15.846 4.773 519 2HG1 ILE 63 2HG1 ILE 63 6.388 -16.404 4.123 520 1HG2 ILE 63 1HG2 ILE 63 8.060 -13.117 4.106 521 2HG2 ILE 63 2HG2 ILE 63 8.202 -14.814 3.646 522 3HG2 ILE 63 3HG2 ILE 63 8.268 -14.356 5.346 523 1HD1 ILE 63 1HD1 ILE 63 6.064 -17.207 6.384 524 2HD1 ILE 63 2HD1 ILE 63 5.847 -15.564 6.967 525 3HD1 ILE 63 3HD1 ILE 63 7.415 -16.073 6.337 526 H ASP 64 H ASP 64 7.059 -11.703 6.916 527 HA ASP 64 HA ASP 64 7.153 -9.719 4.789 528 1HB ASP 64 1HB ASP 64 6.695 -7.864 6.239 529 2HB ASP 64 2HB ASP 64 5.433 -9.037 6.560 530 H GLU 65 H GLU 65 9.126 -9.115 4.354 531 HA GLU 65 HA GLU 65 11.167 -10.026 6.230 532 1HB GLU 65 1HB GLU 65 11.395 -9.282 3.317 533 2HB GLU 65 2HB GLU 65 12.716 -9.869 4.316 534 1HG GLU 65 1HG GLU 65 10.206 -11.403 3.639 535 2HG GLU 65 2HG GLU 65 11.788 -11.640 2.901 536 H GLU 66 H GLU 66 10.801 -7.310 3.988 537 HA GLU 66 HA GLU 66 11.182 -5.361 5.983 538 1HB GLU 66 1HB GLU 66 13.548 -6.148 5.757 539 2HB GLU 66 2HB GLU 66 13.472 -5.836 4.031 540 1HG GLU 66 1HG GLU 66 14.714 -4.119 5.309 541 2HG GLU 66 2HG GLU 66 13.352 -3.467 4.411 542 H ARG 67 H ARG 67 11.347 -3.206 4.833 543 HA ARG 67 HA ARG 67 9.239 -3.005 2.902 544 1HB ARG 67 1HB ARG 67 10.259 -1.374 4.766 545 2HB ARG 67 2HB ARG 67 11.168 -0.787 3.390 546 1HG ARG 67 1HG ARG 67 8.161 -0.824 3.655 547 2HG ARG 67 2HG ARG 67 9.205 0.574 3.844 548 1HD ARG 67 1HD ARG 67 9.887 0.285 1.484 549 2HD ARG 67 2HD ARG 67 8.696 -1.003 1.331 550 HE ARG 67 HE ARG 67 8.080 1.837 1.904 551 1HH1 ARG 67 1HH1 ARG 67 6.825 -1.334 0.946 552 2HH1 ARG 67 2HH1 ARG 67 5.450 -0.675 0.185 553 1HH2 ARG 67 1HH2 ARG 67 6.157 2.670 0.889 554 2HH2 ARG 67 2HH2 ARG 67 5.084 1.600 0.084 555 H SER 68 H SER 68 12.710 -3.006 2.893 556 HA SER 68 HA SER 68 12.888 -2.376 0.104 557 1HB SER 68 1HB SER 68 15.364 -2.571 0.698 558 2HB SER 68 2HB SER 68 14.450 -1.224 1.401 559 HG SER 68 HG SER 68 15.889 -2.728 2.726 560 H THR 69 H THR 69 11.682 -4.766 0.895 561 HA THR 69 HA THR 69 13.165 -6.679 -0.654 562 HB THR 69 HB THR 69 12.427 -7.294 2.219 563 HG1 THR 69 HG1 THR 69 14.560 -6.056 1.240 564 1HG2 THR 69 1HG2 THR 69 13.710 -9.369 1.898 565 2HG2 THR 69 2HG2 THR 69 14.059 -8.895 0.237 566 3HG2 THR 69 3HG2 THR 69 12.401 -9.255 0.720 567 H VAL 70 H VAL 70 11.689 -8.522 -1.057 568 HA VAL 70 HA VAL 70 8.955 -7.712 -1.319 569 HB VAL 70 HB VAL 70 8.530 -10.061 -2.078 570 1HG1 VAL 70 1HG1 VAL 70 10.722 -8.576 -3.483 571 2HG1 VAL 70 2HG1 VAL 70 8.981 -8.362 -3.697 572 3HG1 VAL 70 3HG1 VAL 70 9.753 -9.866 -4.190 573 1HG2 VAL 70 1HG2 VAL 70 10.285 -11.223 -0.844 574 2HG2 VAL 70 2HG2 VAL 70 11.521 -10.370 -1.768 575 3HG2 VAL 70 3HG2 VAL 70 10.455 -11.519 -2.574 576 H MET 71 H MET 71 7.205 -8.418 -0.261 577 HA MET 71 HA MET 71 7.569 -10.182 2.006 578 1HB MET 71 1HB MET 71 6.093 -8.762 3.374 579 2HB MET 71 2HB MET 71 7.529 -7.861 2.911 580 1HG MET 71 1HG MET 71 6.243 -6.677 1.224 581 2HG MET 71 2HG MET 71 4.821 -7.643 1.604 582 1HE MET 71 1HE MET 71 3.734 -4.182 2.976 583 2HE MET 71 2HE MET 71 3.296 -5.569 1.981 584 3HE MET 71 3HE MET 71 4.639 -4.533 1.502 585 H ILE 72 H ILE 72 5.802 -11.545 2.258 586 HA ILE 72 HA ILE 72 3.701 -11.199 0.260 587 HB ILE 72 HB ILE 72 4.782 -13.875 1.247 588 1HG1 ILE 72 1HG1 ILE 72 5.164 -12.595 -1.477 589 2HG1 ILE 72 2HG1 ILE 72 6.407 -12.698 -0.236 590 1HG2 ILE 72 1HG2 ILE 72 3.362 -14.830 -0.533 591 2HG2 ILE 72 2HG2 ILE 72 2.786 -13.213 -0.934 592 3HG2 ILE 72 3HG2 ILE 72 2.407 -13.916 0.638 593 1HD1 ILE 72 1HD1 ILE 72 5.091 -15.020 -1.630 594 2HD1 ILE 72 2HD1 ILE 72 6.321 -15.138 -0.372 595 3HD1 ILE 72 3HD1 ILE 72 6.720 -14.406 -1.926 596 HA PRO 73 HA PRO 73 2.127 -11.309 4.499 597 1HB PRO 73 1HB PRO 73 0.447 -9.079 3.962 598 2HB PRO 73 2HB PRO 73 1.923 -9.087 4.926 599 1HG PRO 73 1HG PRO 73 1.596 -7.772 2.493 600 2HG PRO 73 2HG PRO 73 3.147 -8.174 3.244 601 1HD PRO 73 1HD PRO 73 1.677 -9.575 1.061 602 2HD PRO 73 2HD PRO 73 3.426 -9.365 1.298 603 H TYR 74 H TYR 74 0.404 -12.547 4.954 604 HA TYR 74 HA TYR 74 -1.495 -12.768 2.850 605 1HB TYR 74 1HB TYR 74 -0.939 -14.570 5.208 606 2HB TYR 74 2HB TYR 74 -2.400 -14.737 4.234 607 HD1 TYR 74 HD1 TYR 74 -2.233 -15.333 1.856 608 HD2 TYR 74 HD2 TYR 74 1.193 -15.341 4.376 609 HE1 TYR 74 HE1 TYR 74 -1.023 -16.650 0.189 610 HE2 TYR 74 HE2 TYR 74 2.421 -16.664 2.707 611 HH TYR 74 HH TYR 74 1.962 -18.149 0.865 612 H THR 75 H THR 75 -1.760 -10.538 3.564 613 HA THR 75 HA THR 75 -3.706 -10.475 5.626 614 HB THR 75 HB THR 75 -3.688 -8.095 5.323 615 HG1 THR 75 HG1 THR 75 -2.635 -8.207 3.183 616 1HG2 THR 75 1HG2 THR 75 -1.590 -7.653 6.519 617 2HG2 THR 75 2HG2 THR 75 -0.990 -9.213 5.992 618 3HG2 THR 75 3HG2 THR 75 -2.382 -9.128 7.088 619 H LYS 76 H LYS 76 -5.605 -10.986 4.542 620 HA LYS 76 HA LYS 76 -5.916 -10.107 1.788 621 1HB LYS 76 1HB LYS 76 -7.633 -12.024 3.374 622 2HB LYS 76 2HB LYS 76 -7.821 -11.641 1.668 623 1HG LYS 76 1HG LYS 76 -5.626 -12.587 1.184 624 2HG LYS 76 2HG LYS 76 -5.387 -12.934 2.894 625 1HD LYS 76 1HD LYS 76 -6.054 -14.964 1.798 626 2HD LYS 76 2HD LYS 76 -7.390 -14.415 2.804 627 1HE LYS 76 1HE LYS 76 -8.442 -13.416 0.781 628 2HE LYS 76 2HE LYS 76 -7.124 -14.076 -0.178 629 1HZ LYS 76 1HZ LYS 76 -9.068 -15.511 -0.228 630 2HZ LYS 76 2HZ LYS 76 -9.031 -15.656 1.440 631 3HZ LYS 76 3HZ LYS 76 -7.777 -16.296 0.517 632 HA PRO 77 HA PRO 77 -8.622 -7.064 3.609 633 1HB PRO 77 1HB PRO 77 -8.010 -5.118 1.749 634 2HB PRO 77 2HB PRO 77 -7.073 -5.422 3.211 635 1HG PRO 77 1HG PRO 77 -6.283 -5.854 0.484 636 2HG PRO 77 2HG PRO 77 -5.341 -6.134 1.952 637 1HD PRO 77 1HD PRO 77 -6.858 -8.053 0.298 638 2HD PRO 77 2HD PRO 77 -5.493 -8.311 1.415 639 H CYS 78 H CYS 78 -10.042 -5.273 2.036 640 HA CYS 78 HA CYS 78 -11.668 -7.069 0.427 641 1HB CYS 78 1HB CYS 78 -12.673 -5.650 2.260 642 2HB CYS 78 2HB CYS 78 -12.215 -4.229 1.336 643 HG CYS 78 HG CYS 78 -14.569 -4.084 0.355 644 H TYR 79 H TYR 79 -9.024 -5.708 -0.277 645 HA TYR 79 HA TYR 79 -9.917 -4.656 -2.867 646 1HB TYR 79 1HB TYR 79 -9.468 -2.738 -1.393 647 2HB TYR 79 2HB TYR 79 -7.818 -3.312 -1.170 648 HD1 TYR 79 HD1 TYR 79 -6.124 -2.635 -2.683 649 HD2 TYR 79 HD2 TYR 79 -10.212 -2.112 -3.736 650 HE1 TYR 79 HE1 TYR 79 -5.445 -1.303 -4.637 651 HE2 TYR 79 HE2 TYR 79 -9.546 -0.786 -5.687 652 HH TYR 79 HH TYR 79 -7.698 0.563 -6.400 653 H GLY 80 H GLY 80 -6.800 -5.208 -1.157 654 1HA GLY 80 1HA GLY 80 -6.041 -7.483 -2.471 655 2HA GLY 80 2HA GLY 80 -5.587 -6.168 -3.545 656 H THR 81 H THR 81 -3.905 -8.052 -2.125 657 HA THR 81 HA THR 81 -2.639 -6.679 0.047 658 HB THR 81 HB THR 81 -1.811 -9.199 -1.389 659 HG1 THR 81 HG1 THR 81 -3.527 -9.271 0.879 660 1HG2 THR 81 1HG2 THR 81 -1.562 -8.277 1.482 661 2HG2 THR 81 2HG2 THR 81 -0.263 -8.282 0.289 662 3HG2 THR 81 3HG2 THR 81 -0.962 -9.806 0.840 663 H ALA 82 H ALA 82 -0.236 -6.291 -0.135 664 HA ALA 82 HA ALA 82 0.444 -5.560 -2.878 665 1HB ALA 82 1HB ALA 82 1.729 -3.670 -1.944 666 2HB ALA 82 2HB ALA 82 1.161 -4.094 -0.337 667 3HB ALA 82 3HB ALA 82 0.019 -3.543 -1.553 668 H VAL 83 H VAL 83 2.283 -6.755 -3.491 669 HA VAL 83 HA VAL 83 4.170 -7.482 -1.387 670 HB VAL 83 HB VAL 83 3.903 -8.569 -4.238 671 1HG1 VAL 83 1HG1 VAL 83 6.234 -8.617 -3.469 672 2HG1 VAL 83 2HG1 VAL 83 5.579 -10.251 -3.581 673 3HG1 VAL 83 3HG1 VAL 83 5.739 -9.470 -2.007 674 1HG2 VAL 83 1HG2 VAL 83 3.210 -10.678 -3.144 675 2HG2 VAL 83 2HG2 VAL 83 2.088 -9.349 -2.843 676 3HG2 VAL 83 3HG2 VAL 83 3.224 -9.844 -1.590 677 H VAL 84 H VAL 84 5.023 -5.471 -1.243 678 HA VAL 84 HA VAL 84 6.120 -4.394 -3.701 679 HB VAL 84 HB VAL 84 6.038 -2.150 -2.449 680 1HG1 VAL 84 1HG1 VAL 84 4.510 -2.721 -4.235 681 2HG1 VAL 84 2HG1 VAL 84 3.635 -1.896 -2.940 682 3HG1 VAL 84 3HG1 VAL 84 3.515 -3.647 -3.115 683 1HG2 VAL 84 1HG2 VAL 84 4.198 -3.773 -0.687 684 2HG2 VAL 84 2HG2 VAL 84 4.395 -2.023 -0.643 685 3HG2 VAL 84 3HG2 VAL 84 5.739 -3.073 -0.188 686 H GLU 85 H GLU 85 8.159 -4.207 -3.986 687 HA GLU 85 HA GLU 85 9.937 -4.535 -1.678 688 1HB GLU 85 1HB GLU 85 9.993 -6.496 -3.132 689 2HB GLU 85 2HB GLU 85 10.361 -5.476 -4.520 690 1HG GLU 85 1HG GLU 85 12.457 -4.789 -3.414 691 2HG GLU 85 2HG GLU 85 12.058 -5.886 -2.093 692 H LEU 86 H LEU 86 11.128 -2.781 -1.333 693 HA LEU 86 HA LEU 86 11.482 -0.840 -3.489 694 1HB LEU 86 1HB LEU 86 10.595 -0.190 -1.226 695 2HB LEU 86 2HB LEU 86 12.138 -0.636 -0.546 696 HG LEU 86 HG LEU 86 13.138 1.095 -2.106 697 1HD1 LEU 86 1HD1 LEU 86 11.315 1.413 -3.600 698 2HD1 LEU 86 2HD1 LEU 86 11.682 2.925 -2.775 699 3HD1 LEU 86 3HD1 LEU 86 10.283 1.970 -2.286 700 1HD2 LEU 86 1HD2 LEU 86 12.610 2.924 -0.531 701 2HD2 LEU 86 2HD2 LEU 86 13.003 1.416 0.288 702 3HD2 LEU 86 3HD2 LEU 86 11.322 1.931 0.150 703 HA PRO 87 HA PRO 87 15.718 -2.353 -3.784 704 1HB PRO 87 1HB PRO 87 16.553 -0.791 -5.800 705 2HB PRO 87 2HB PRO 87 15.388 -2.090 -6.082 706 1HG PRO 87 1HG PRO 87 14.921 0.840 -5.779 707 2HG PRO 87 2HG PRO 87 14.197 -0.296 -6.931 708 1HD PRO 87 1HD PRO 87 12.976 0.560 -4.621 709 2HD PRO 87 2HD PRO 87 12.602 -0.974 -5.432 710 H VAL 88 H VAL 88 14.624 0.532 -2.727 711 HA VAL 88 HA VAL 88 17.243 1.714 -2.139 712 HB VAL 88 HB VAL 88 14.522 2.848 -1.428 713 1HG1 VAL 88 1HG1 VAL 88 15.659 5.013 -1.485 714 2HG1 VAL 88 2HG1 VAL 88 17.170 4.193 -1.878 715 3HG1 VAL 88 3HG1 VAL 88 16.388 3.902 -0.324 716 1HG2 VAL 88 1HG2 VAL 88 14.463 2.455 -3.828 717 2HG2 VAL 88 2HG2 VAL 88 15.985 3.320 -4.029 718 3HG2 VAL 88 3HG2 VAL 88 14.544 4.182 -3.489 719 H ASP 89 H ASP 89 17.509 2.350 0.194 720 HA ASP 89 HA ASP 89 16.890 0.127 1.882 721 1HB ASP 89 1HB ASP 89 18.285 2.750 2.368 722 2HB ASP 89 2HB ASP 89 18.007 1.617 3.678 723 HA PRO 90 HA PRO 90 13.211 1.378 4.051 724 1HB PRO 90 1HB PRO 90 13.925 1.070 6.701 725 2HB PRO 90 2HB PRO 90 13.452 -0.256 5.636 726 1HG PRO 90 1HG PRO 90 16.196 0.697 6.369 727 2HG PRO 90 2HG PRO 90 15.579 -0.964 6.280 728 1HD PRO 90 1HD PRO 90 17.060 0.005 4.317 729 2HD PRO 90 2HD PRO 90 15.640 -0.990 3.955 730 H GLU 91 H GLU 91 15.890 3.238 4.061 731 HA GLU 91 HA GLU 91 15.464 5.205 6.048 732 1HB GLU 91 1HB GLU 91 16.973 6.576 4.669 733 2HB GLU 91 2HB GLU 91 17.616 4.956 4.904 734 1HG GLU 91 1HG GLU 91 16.948 4.315 2.678 735 2HG GLU 91 2HG GLU 91 16.131 5.852 2.440 736 H GLU 92 H GLU 92 14.168 4.550 2.912 737 HA GLU 92 HA GLU 92 13.086 7.058 2.290 738 1HB GLU 92 1HB GLU 92 12.367 4.280 1.441 739 2HB GLU 92 2HB GLU 92 11.479 5.687 0.874 740 1HG GLU 92 1HG GLU 92 14.425 5.249 0.541 741 2HG GLU 92 2HG GLU 92 13.198 4.966 -0.701 742 H ILE 93 H ILE 93 12.062 4.536 4.387 743 HA ILE 93 HA ILE 93 9.302 5.191 4.507 744 HB ILE 93 HB ILE 93 10.949 4.040 6.740 745 1HG1 ILE 93 1HG1 ILE 93 9.576 2.509 4.529 746 2HG1 ILE 93 2HG1 ILE 93 11.315 2.760 4.649 747 1HG2 ILE 93 1HG2 ILE 93 8.636 4.700 7.327 748 2HG2 ILE 93 2HG2 ILE 93 8.821 2.948 7.405 749 3HG2 ILE 93 3HG2 ILE 93 8.017 3.689 6.022 750 1HD1 ILE 93 1HD1 ILE 93 10.724 0.554 5.444 751 2HD1 ILE 93 2HD1 ILE 93 9.597 1.253 6.606 752 3HD1 ILE 93 3HD1 ILE 93 11.328 1.536 6.778 753 H GLU 94 H GLU 94 12.179 6.492 5.992 754 HA GLU 94 HA GLU 94 10.895 7.954 8.043 755 1HB GLU 94 1HB GLU 94 13.520 8.455 6.643 756 2HB GLU 94 2HB GLU 94 13.014 9.220 8.144 757 1HG GLU 94 1HG GLU 94 13.589 6.305 7.681 758 2HG GLU 94 2HG GLU 94 14.534 7.441 8.644 759 H ARG 95 H ARG 95 11.999 8.779 4.818 760 HA ARG 95 HA ARG 95 11.013 11.424 4.827 761 1HB ARG 95 1HB ARG 95 12.791 10.603 3.278 762 2HB ARG 95 2HB ARG 95 11.614 9.589 2.480 763 1HG ARG 95 1HG ARG 95 11.147 12.533 2.568 764 2HG ARG 95 2HG ARG 95 12.357 11.896 1.463 765 1HD ARG 95 1HD ARG 95 9.459 11.039 1.569 766 2HD ARG 95 2HD ARG 95 10.129 12.187 0.411 767 HE ARG 95 HE ARG 95 11.507 9.675 0.411 768 1HH1 ARG 95 1HH1 ARG 95 8.651 11.341 -0.944 769 2HH1 ARG 95 2HH1 ARG 95 8.593 10.367 -2.319 770 1HH2 ARG 95 1HH2 ARG 95 11.383 8.339 -1.460 771 2HH2 ARG 95 2HH2 ARG 95 10.197 8.620 -2.650 772 H ILE 96 H ILE 96 9.605 8.342 4.109 773 HA ILE 96 HA ILE 96 7.201 9.515 3.044 774 HB ILE 96 HB ILE 96 7.960 6.610 3.543 775 1HG1 ILE 96 1HG1 ILE 96 7.865 8.197 0.964 776 2HG1 ILE 96 2HG1 ILE 96 9.322 7.738 1.833 777 1HG2 ILE 96 1HG2 ILE 96 6.066 6.045 2.027 778 2HG2 ILE 96 2HG2 ILE 96 5.607 7.751 1.998 779 3HG2 ILE 96 3HG2 ILE 96 5.529 6.836 3.506 780 1HD1 ILE 96 1HD1 ILE 96 8.944 6.303 -0.094 781 2HD1 ILE 96 2HD1 ILE 96 7.364 5.844 0.542 782 3HD1 ILE 96 3HD1 ILE 96 8.830 5.380 1.405 783 H LEU 97 H LEU 97 8.409 8.982 6.088 784 HA LEU 97 HA LEU 97 5.941 8.362 7.474 785 1HB LEU 97 1HB LEU 97 8.122 7.733 8.442 786 2HB LEU 97 2HB LEU 97 8.607 9.412 8.472 787 HG LEU 97 HG LEU 97 6.780 9.843 10.125 788 1HD1 LEU 97 1HD1 LEU 97 5.807 7.945 11.308 789 2HD1 LEU 97 2HD1 LEU 97 6.555 6.847 10.148 790 3HD1 LEU 97 3HD1 LEU 97 5.328 7.995 9.613 791 1HD2 LEU 97 1HD2 LEU 97 9.086 9.538 10.848 792 2HD2 LEU 97 2HD2 LEU 97 8.843 7.792 10.933 793 3HD2 LEU 97 3HD2 LEU 97 7.964 8.859 12.024 794 H GLU 98 H GLU 98 7.867 11.034 6.572 795 HA GLU 98 HA GLU 98 6.560 13.141 7.939 796 1HB GLU 98 1HB GLU 98 8.852 13.177 6.940 797 2HB GLU 98 2HB GLU 98 8.115 13.075 5.357 798 1HG GLU 98 1HG GLU 98 7.033 15.231 5.723 799 2HG GLU 98 2HG GLU 98 7.815 15.347 7.294 800 H VAL 99 H VAL 99 6.198 11.398 5.001 801 HA VAL 99 HA VAL 99 4.004 13.070 4.059 802 HB VAL 99 HB VAL 99 5.653 11.010 2.556 803 1HG1 VAL 99 1HG1 VAL 99 3.855 13.240 1.545 804 2HG1 VAL 99 2HG1 VAL 99 3.474 11.521 1.506 805 3HG1 VAL 99 3HG1 VAL 99 4.800 12.153 0.526 806 1HG2 VAL 99 1HG2 VAL 99 5.985 14.002 2.594 807 2HG2 VAL 99 2HG2 VAL 99 6.887 12.881 1.572 808 3HG2 VAL 99 3HG2 VAL 99 7.074 12.824 3.324 809 H ALA 100 H ALA 100 3.872 10.917 6.194 810 HA ALA 100 HA ALA 100 2.786 8.585 5.309 811 1HB ALA 100 1HB ALA 100 3.601 9.078 7.586 812 2HB ALA 100 2HB ALA 100 2.053 8.265 7.571 813 3HB ALA 100 3HB ALA 100 2.132 10.003 7.879 814 H GLU 101 H GLU 101 1.328 11.687 5.640 815 HA GLU 101 HA GLU 101 -1.041 10.883 4.292 816 1HB GLU 101 1HB GLU 101 -1.704 10.109 6.499 817 2HB GLU 101 2HB GLU 101 -1.302 11.659 7.209 818 1HG GLU 101 1HG GLU 101 -3.065 12.678 5.746 819 2HG GLU 101 2HG GLU 101 -3.513 11.036 5.283 820 HA PRO 102 HA PRO 102 -1.394 15.481 4.729 821 1HB PRO 102 1HB PRO 102 0.239 16.987 6.189 822 2HB PRO 102 2HB PRO 102 -1.153 16.111 6.883 823 1HG PRO 102 1HG PRO 102 1.746 15.404 6.938 824 2HG PRO 102 2HG PRO 102 0.552 15.304 8.249 825 1HD PRO 102 1HD PRO 102 1.327 13.185 6.685 826 2HD PRO 102 2HD PRO 102 -0.229 13.295 7.528 Start of MODEL 9 1 H HIS 1 H HIS 1 5.101 5.067 -10.902 2 HA HIS 1 HA HIS 1 3.383 7.340 -11.545 3 1HB HIS 1 1HB HIS 1 2.840 4.698 -10.173 4 2HB HIS 1 2HB HIS 1 1.818 6.102 -9.940 5 HD1 HIS 1 HD1 HIS 1 0.056 6.570 -11.746 6 HD2 HIS 1 HD2 HIS 1 2.722 3.536 -12.754 7 HE1 HIS 1 HE1 HIS 1 -0.911 5.430 -13.763 8 H MET 2 H MET 2 2.442 8.110 -9.401 9 HA MET 2 HA MET 2 3.694 7.706 -6.959 10 1HB MET 2 1HB MET 2 4.687 9.960 -6.664 11 2HB MET 2 2HB MET 2 5.628 8.916 -7.733 12 1HG MET 2 1HG MET 2 4.714 10.129 -9.659 13 2HG MET 2 2HG MET 2 3.753 11.130 -8.570 14 1HE MET 2 1HE MET 2 5.713 12.275 -10.832 15 2HE MET 2 2HE MET 2 6.475 13.607 -9.959 16 3HE MET 2 3HE MET 2 4.749 13.302 -9.769 17 H THR 3 H THR 3 2.226 8.239 -5.536 18 HA THR 3 HA THR 3 0.438 10.406 -6.292 19 HB THR 3 HB THR 3 -0.734 8.281 -6.507 20 HG1 THR 3 HG1 THR 3 -2.531 8.970 -5.370 21 1HG2 THR 3 1HG2 THR 3 0.455 6.976 -4.811 22 2HG2 THR 3 2HG2 THR 3 -1.279 6.949 -4.494 23 3HG2 THR 3 3HG2 THR 3 -0.224 7.990 -3.538 24 H PHE 4 H PHE 4 0.089 11.875 -4.935 25 HA PHE 4 HA PHE 4 0.896 11.560 -2.131 26 1HB PHE 4 1HB PHE 4 1.369 14.010 -3.874 27 2HB PHE 4 2HB PHE 4 1.827 13.825 -2.178 28 HD1 PHE 4 HD1 PHE 4 2.836 13.357 -5.562 29 HD2 PHE 4 HD2 PHE 4 3.430 11.951 -1.601 30 HE1 PHE 4 HE1 PHE 4 4.931 12.283 -6.255 31 HE2 PHE 4 HE2 PHE 4 5.529 10.888 -2.288 32 HZ PHE 4 HZ PHE 4 6.269 11.030 -4.597 33 H CYS 5 H CYS 5 -1.652 11.395 -3.653 34 HA CYS 5 HA CYS 5 -3.139 13.493 -2.247 35 1HB CYS 5 1HB CYS 5 -3.755 12.269 -4.948 36 2HB CYS 5 2HB CYS 5 -4.737 13.469 -4.118 37 HG CYS 5 HG CYS 5 -3.648 15.439 -5.227 38 H LEU 6 H LEU 6 -3.902 12.284 -0.491 39 HA LEU 6 HA LEU 6 -4.590 9.552 -0.982 40 1HB LEU 6 1HB LEU 6 -4.872 9.228 1.368 41 2HB LEU 6 2HB LEU 6 -3.366 10.045 1.073 42 HG LEU 6 HG LEU 6 -4.123 10.870 3.032 43 1HD1 LEU 6 1HD1 LEU 6 -4.820 13.209 2.795 44 2HD1 LEU 6 2HD1 LEU 6 -5.044 12.930 1.069 45 3HD1 LEU 6 3HD1 LEU 6 -3.450 12.745 1.793 46 1HD2 LEU 6 1HD2 LEU 6 -6.911 11.003 1.930 47 2HD2 LEU 6 2HD2 LEU 6 -6.461 11.687 3.479 48 3HD2 LEU 6 3HD2 LEU 6 -6.301 9.945 3.204 49 H GLU 7 H GLU 7 -6.281 12.468 -0.046 50 HA GLU 7 HA GLU 7 -8.742 11.157 0.404 51 1HB GLU 7 1HB GLU 7 -8.226 13.011 1.714 52 2HB GLU 7 2HB GLU 7 -7.862 14.040 0.365 53 1HG GLU 7 1HG GLU 7 -10.285 14.027 -0.195 54 2HG GLU 7 2HG GLU 7 -10.568 13.023 1.231 55 H THR 8 H THR 8 -7.106 12.122 -2.261 56 HA THR 8 HA THR 8 -9.274 12.774 -3.958 57 HB THR 8 HB THR 8 -6.492 11.825 -4.665 58 HG1 THR 8 HG1 THR 8 -7.595 14.326 -3.892 59 1HG2 THR 8 1HG2 THR 8 -6.856 13.150 -6.708 60 2HG2 THR 8 2HG2 THR 8 -8.467 13.590 -6.143 61 3HG2 THR 8 3HG2 THR 8 -8.105 11.914 -6.554 62 H TYR 9 H TYR 9 -7.751 9.821 -2.804 63 HA TYR 9 HA TYR 9 -8.859 8.175 -4.827 64 1HB TYR 9 1HB TYR 9 -7.601 7.578 -2.167 65 2HB TYR 9 2HB TYR 9 -8.375 6.310 -3.113 66 HD1 TYR 9 HD1 TYR 9 -5.391 8.161 -2.600 67 HD2 TYR 9 HD2 TYR 9 -7.612 6.031 -5.520 68 HE1 TYR 9 HE1 TYR 9 -3.367 7.923 -3.964 69 HE2 TYR 9 HE2 TYR 9 -5.604 5.777 -6.885 70 HH TYR 9 HH TYR 9 -2.606 6.253 -5.704 71 H LEU 10 H LEU 10 -9.813 9.332 -1.743 72 HA LEU 10 HA LEU 10 -12.069 7.734 -1.336 73 1HB LEU 10 1HB LEU 10 -11.128 9.163 0.412 74 2HB LEU 10 2HB LEU 10 -11.523 10.593 -0.513 75 HG LEU 10 HG LEU 10 -13.927 10.109 -0.204 76 1HD1 LEU 10 1HD1 LEU 10 -14.624 8.441 1.417 77 2HD1 LEU 10 2HD1 LEU 10 -12.959 7.889 1.585 78 3HD1 LEU 10 3HD1 LEU 10 -13.804 7.697 0.048 79 1HD2 LEU 10 1HD2 LEU 10 -12.773 11.615 1.324 80 2HD2 LEU 10 2HD2 LEU 10 -12.324 10.249 2.345 81 3HD2 LEU 10 3HD2 LEU 10 -14.020 10.697 2.170 82 H GLN 11 H GLN 11 -11.539 10.749 -3.068 83 HA GLN 11 HA GLN 11 -14.223 11.224 -3.819 84 1HB GLN 11 1HB GLN 11 -11.641 12.178 -5.064 85 2HB GLN 11 2HB GLN 11 -13.230 12.775 -5.500 86 1HG GLN 11 1HG GLN 11 -11.924 13.043 -2.792 87 2HG GLN 11 2HG GLN 11 -12.031 14.303 -4.014 88 1HE2 GLN 11 1HE2 GLN 11 -13.172 15.689 -2.725 89 2HE2 GLN 11 2HE2 GLN 11 -14.815 15.430 -2.271 90 H GLN 12 H GLN 12 -11.665 9.306 -5.068 91 HA GLN 12 HA GLN 12 -12.921 8.871 -7.569 92 1HB GLN 12 1HB GLN 12 -10.614 7.424 -6.266 93 2HB GLN 12 2HB GLN 12 -11.192 7.073 -7.888 94 1HG GLN 12 1HG GLN 12 -10.630 9.307 -8.612 95 2HG GLN 12 2HG GLN 12 -10.157 9.748 -6.975 96 1HE2 GLN 12 1HE2 GLN 12 -9.393 6.655 -8.450 97 2HE2 GLN 12 2HE2 GLN 12 -7.691 6.942 -8.556 98 H SER 13 H SER 13 -12.603 7.026 -4.538 99 HA SER 13 HA SER 13 -15.010 5.586 -5.077 100 1HB SER 13 1HB SER 13 -12.419 4.015 -4.984 101 2HB SER 13 2HB SER 13 -14.039 3.326 -5.012 102 HG SER 13 HG SER 13 -13.829 5.015 -7.037 103 H GLY 14 H GLY 14 -12.065 5.042 -3.151 104 1HA GLY 14 1HA GLY 14 -13.571 5.548 -0.755 105 2HA GLY 14 2HA GLY 14 -13.044 3.884 -0.987 106 H GLU 15 H GLU 15 -12.122 4.950 1.139 107 HA GLU 15 HA GLU 15 -9.625 6.321 0.647 108 1HB GLU 15 1HB GLU 15 -11.161 7.125 2.394 109 2HB GLU 15 2HB GLU 15 -11.090 5.571 3.193 110 1HG GLU 15 1HG GLU 15 -8.824 5.953 3.846 111 2HG GLU 15 2HG GLU 15 -8.738 7.414 2.860 112 H TYR 16 H TYR 16 -7.602 5.454 1.218 113 HA TYR 16 HA TYR 16 -7.410 2.635 2.015 114 1HB TYR 16 1HB TYR 16 -7.349 2.659 -0.428 115 2HB TYR 16 2HB TYR 16 -6.242 4.010 -0.430 116 HD1 TYR 16 HD1 TYR 16 -4.144 3.509 -1.142 117 HD2 TYR 16 HD2 TYR 16 -6.282 0.501 0.974 118 HE1 TYR 16 HE1 TYR 16 -2.259 1.973 -1.440 119 HE2 TYR 16 HE2 TYR 16 -4.387 -1.050 0.674 120 HH TYR 16 HH TYR 16 -1.359 0.120 -0.725 121 H GLU 17 H GLU 17 -7.105 5.300 3.171 122 HA GLU 17 HA GLU 17 -4.357 5.209 4.047 123 1HB GLU 17 1HB GLU 17 -5.689 7.734 3.041 124 2HB GLU 17 2HB GLU 17 -4.074 7.654 3.678 125 1HG GLU 17 1HG GLU 17 -3.629 7.718 1.423 126 2HG GLU 17 2HG GLU 17 -3.689 5.993 1.701 127 H ILE 18 H ILE 18 -4.167 7.022 6.001 128 HA ILE 18 HA ILE 18 -6.636 6.794 7.380 129 HB ILE 18 HB ILE 18 -4.509 5.724 8.415 130 1HG1 ILE 18 1HG1 ILE 18 -6.165 7.565 10.165 131 2HG1 ILE 18 2HG1 ILE 18 -6.645 5.958 9.640 132 1HG2 ILE 18 1HG2 ILE 18 -3.252 7.227 9.985 133 2HG2 ILE 18 2HG2 ILE 18 -3.917 8.605 9.097 134 3HG2 ILE 18 3HG2 ILE 18 -2.883 7.425 8.285 135 1HD1 ILE 18 1HD1 ILE 18 -5.867 5.944 11.942 136 2HD1 ILE 18 2HD1 ILE 18 -4.315 6.610 11.434 137 3HD1 ILE 18 3HD1 ILE 18 -4.790 4.994 10.915 138 H HIS 19 H HIS 19 -5.229 8.755 5.578 139 HA HIS 19 HA HIS 19 -5.385 10.894 4.941 140 1HB HIS 19 1HB HIS 19 -7.675 10.967 6.025 141 2HB HIS 19 2HB HIS 19 -6.910 11.493 7.518 142 HD1 HIS 19 HD1 HIS 19 -5.787 13.964 7.419 143 HD2 HIS 19 HD2 HIS 19 -8.196 12.916 4.196 144 HE1 HIS 19 HE1 HIS 19 -6.310 16.094 6.219 145 H MET 20 H MET 20 -3.218 10.663 5.163 146 HA MET 20 HA MET 20 -1.999 12.551 6.914 147 1HB MET 20 1HB MET 20 -2.312 10.128 8.000 148 2HB MET 20 2HB MET 20 -0.961 9.748 6.965 149 1HG MET 20 1HG MET 20 -0.991 11.835 9.040 150 2HG MET 20 2HG MET 20 -0.528 10.139 9.273 151 1HE MET 20 1HE MET 20 3.014 11.988 9.396 152 2HE MET 20 2HE MET 20 1.912 10.916 10.262 153 3HE MET 20 3HE MET 20 1.488 12.611 10.022 154 H LYS 21 H LYS 21 0.521 12.173 6.272 155 HA LYS 21 HA LYS 21 0.688 12.825 3.529 156 1HB LYS 21 1HB LYS 21 2.893 11.844 5.335 157 2HB LYS 21 2HB LYS 21 3.075 12.785 3.866 158 1HG LYS 21 1HG LYS 21 2.155 14.718 4.904 159 2HG LYS 21 2HG LYS 21 1.679 13.788 6.332 160 1HD LYS 21 1HD LYS 21 4.056 13.241 6.699 161 2HD LYS 21 2HD LYS 21 4.469 14.310 5.359 162 1HE LYS 21 1HE LYS 21 3.574 16.208 6.532 163 2HE LYS 21 2HE LYS 21 2.968 15.172 7.825 164 1HZ LYS 21 1HZ LYS 21 5.234 14.569 8.360 165 2HZ LYS 21 2HZ LYS 21 5.030 16.248 8.467 166 3HZ LYS 21 3HZ LYS 21 5.829 15.580 7.142 167 H ARG 22 H ARG 22 0.318 11.500 2.055 168 HA ARG 22 HA ARG 22 1.153 8.766 2.283 169 1HB ARG 22 1HB ARG 22 -0.542 8.218 0.640 170 2HB ARG 22 2HB ARG 22 -1.240 9.204 1.881 171 1HG ARG 22 1HG ARG 22 -0.429 10.212 -0.847 172 2HG ARG 22 2HG ARG 22 -2.065 9.781 -0.397 173 1HD ARG 22 1HD ARG 22 -2.023 12.127 -0.218 174 2HD ARG 22 2HD ARG 22 -1.765 11.589 1.453 175 HE ARG 22 HE ARG 22 0.650 12.028 0.008 176 1HH1 ARG 22 1HH1 ARG 22 -1.789 13.725 2.031 177 2HH1 ARG 22 2HH1 ARG 22 -0.744 14.999 2.382 178 1HH2 ARG 22 1HH2 ARG 22 2.019 13.832 0.551 179 2HH2 ARG 22 2HH2 ARG 22 1.404 15.085 1.521 180 H ALA 23 H ALA 23 2.955 8.287 1.213 181 HA ALA 23 HA ALA 23 3.545 9.822 -1.165 182 1HB ALA 23 1HB ALA 23 5.497 8.592 0.798 183 2HB ALA 23 2HB ALA 23 5.164 10.311 0.607 184 3HB ALA 23 3HB ALA 23 5.956 9.414 -0.693 185 H GLY 24 H GLY 24 2.519 8.358 -2.469 186 1HA GLY 24 1HA GLY 24 3.367 5.561 -2.195 187 2HA GLY 24 2HA GLY 24 1.897 6.090 -3.016 188 H PHE 25 H PHE 25 5.408 5.951 -3.203 189 HA PHE 25 HA PHE 25 5.463 7.072 -5.803 190 1HB PHE 25 1HB PHE 25 7.569 5.362 -4.448 191 2HB PHE 25 2HB PHE 25 7.809 6.334 -5.888 192 HD1 PHE 25 HD1 PHE 25 7.717 6.284 -2.289 193 HD2 PHE 25 HD2 PHE 25 7.735 8.821 -5.696 194 HE1 PHE 25 HE1 PHE 25 8.413 8.169 -0.872 195 HE2 PHE 25 HE2 PHE 25 8.433 10.712 -4.287 196 HZ PHE 25 HZ PHE 25 8.773 10.391 -1.878 197 H ARG 26 H ARG 26 6.580 3.796 -5.016 198 HA ARG 26 HA ARG 26 5.702 3.089 -7.669 199 1HB ARG 26 1HB ARG 26 7.021 1.294 -5.665 200 2HB ARG 26 2HB ARG 26 6.722 0.909 -7.345 201 1HG ARG 26 1HG ARG 26 8.147 3.167 -7.650 202 2HG ARG 26 2HG ARG 26 8.821 2.587 -6.124 203 1HD ARG 26 1HD ARG 26 10.187 1.569 -7.711 204 2HD ARG 26 2HD ARG 26 9.005 0.309 -7.352 205 HE ARG 26 HE ARG 26 9.071 2.014 -9.732 206 1HH1 ARG 26 1HH1 ARG 26 7.713 -0.891 -8.196 207 2HH1 ARG 26 2HH1 ARG 26 7.144 -1.555 -9.654 208 1HH2 ARG 26 1HH2 ARG 26 8.262 1.091 -11.715 209 2HH2 ARG 26 2HH2 ARG 26 7.430 -0.389 -11.684 210 H GLU 27 H GLU 27 4.302 2.749 -4.479 211 HA GLU 27 HA GLU 27 2.790 0.464 -5.326 212 1HB GLU 27 1HB GLU 27 3.680 1.086 -3.005 213 2HB GLU 27 2HB GLU 27 2.305 2.196 -2.927 214 1HG GLU 27 1HG GLU 27 1.928 -0.721 -3.440 215 2HG GLU 27 2HG GLU 27 2.236 -0.141 -1.815 216 H CYS 28 H CYS 28 2.706 3.789 -5.783 217 HA CYS 28 HA CYS 28 0.028 4.470 -5.880 218 1HB CYS 28 1HB CYS 28 1.784 6.060 -6.459 219 2HB CYS 28 2HB CYS 28 2.084 5.194 -7.960 220 HG CYS 28 HG CYS 28 -1.049 5.835 -8.072 221 H ALA 29 H ALA 29 1.821 2.547 -8.247 222 HA ALA 29 HA ALA 29 -0.278 2.432 -10.164 223 1HB ALA 29 1HB ALA 29 2.075 0.589 -9.769 224 2HB ALA 29 2HB ALA 29 2.061 2.043 -10.766 225 3HB ALA 29 3HB ALA 29 1.049 0.663 -11.200 226 H ALA 30 H ALA 30 0.847 0.309 -7.605 227 HA ALA 30 HA ALA 30 -0.770 -1.864 -7.995 228 1HB ALA 30 1HB ALA 30 0.173 -0.827 -5.355 229 2HB ALA 30 2HB ALA 30 1.213 -1.594 -6.531 230 3HB ALA 30 3HB ALA 30 -0.122 -2.509 -5.828 231 H MET 31 H MET 31 -1.221 0.841 -5.819 232 HA MET 31 HA MET 31 -3.626 0.048 -4.632 233 1HB MET 31 1HB MET 31 -3.975 2.369 -3.963 234 2HB MET 31 2HB MET 31 -2.311 1.858 -3.723 235 1HG MET 31 1HG MET 31 -1.723 2.980 -5.841 236 2HG MET 31 2HG MET 31 -3.374 3.576 -5.938 237 1HE MET 31 1HE MET 31 -0.047 3.587 -3.905 238 2HE MET 31 2HE MET 31 -1.204 3.217 -2.621 239 3HE MET 31 3HE MET 31 -0.390 4.779 -2.659 240 H ILE 32 H ILE 32 -3.210 1.757 -7.650 241 HA ILE 32 HA ILE 32 -5.877 2.477 -8.103 242 HB ILE 32 HB ILE 32 -3.713 1.683 -10.065 243 1HG1 ILE 32 1HG1 ILE 32 -4.613 4.425 -9.139 244 2HG1 ILE 32 2HG1 ILE 32 -3.143 3.608 -8.633 245 1HG2 ILE 32 1HG2 ILE 32 -5.923 1.546 -11.117 246 2HG2 ILE 32 2HG2 ILE 32 -5.028 2.923 -11.763 247 3HG2 ILE 32 3HG2 ILE 32 -6.305 3.180 -10.572 248 1HD1 ILE 32 1HD1 ILE 32 -3.787 4.522 -11.430 249 2HD1 ILE 32 2HD1 ILE 32 -2.309 3.698 -10.932 250 3HD1 ILE 32 3HD1 ILE 32 -2.677 5.305 -10.305 251 H GLU 33 H GLU 33 -4.086 -0.451 -8.818 252 HA GLU 33 HA GLU 33 -6.324 -1.698 -10.081 253 1HB GLU 33 1HB GLU 33 -3.579 -2.683 -9.370 254 2HB GLU 33 2HB GLU 33 -4.776 -3.634 -10.248 255 1HG GLU 33 1HG GLU 33 -3.623 -1.016 -11.140 256 2HG GLU 33 2HG GLU 33 -3.171 -2.608 -11.756 257 H LYS 34 H LYS 34 -4.784 -1.757 -6.941 258 HA LYS 34 HA LYS 34 -5.942 -4.047 -5.844 259 1HB LYS 34 1HB LYS 34 -5.040 -1.468 -4.624 260 2HB LYS 34 2HB LYS 34 -5.774 -2.714 -3.637 261 1HG LYS 34 1HG LYS 34 -4.028 -4.180 -3.944 262 2HG LYS 34 2HG LYS 34 -3.361 -3.338 -5.352 263 1HD LYS 34 1HD LYS 34 -2.828 -1.460 -3.849 264 2HD LYS 34 2HD LYS 34 -3.444 -2.426 -2.494 265 1HE LYS 34 1HE LYS 34 -1.695 -4.068 -2.957 266 2HE LYS 34 2HE LYS 34 -1.138 -3.066 -4.293 267 1HZ LYS 34 1HZ LYS 34 0.111 -2.645 -2.189 268 2HZ LYS 34 2HZ LYS 34 -1.348 -1.962 -1.554 269 3HZ LYS 34 3HZ LYS 34 -0.664 -1.337 -2.890 270 H LYS 35 H LYS 35 -7.244 -0.924 -6.460 271 HA LYS 35 HA LYS 35 -9.509 -0.967 -4.792 272 1HB LYS 35 1HB LYS 35 -8.558 0.994 -6.023 273 2HB LYS 35 2HB LYS 35 -9.254 0.338 -7.495 274 1HG LYS 35 1HG LYS 35 -11.448 0.356 -5.985 275 2HG LYS 35 2HG LYS 35 -10.564 1.654 -5.187 276 1HD LYS 35 1HD LYS 35 -11.924 2.638 -6.880 277 2HD LYS 35 2HD LYS 35 -10.248 2.695 -7.443 278 1HE LYS 35 1HE LYS 35 -11.804 2.011 -9.220 279 2HE LYS 35 2HE LYS 35 -10.641 0.744 -8.865 280 1HZ LYS 35 1HZ LYS 35 -12.891 -0.140 -9.110 281 2HZ LYS 35 2HZ LYS 35 -13.449 0.861 -7.897 282 3HZ LYS 35 3HZ LYS 35 -12.382 -0.377 -7.519 283 H ALA 36 H ALA 36 -8.777 -2.845 -7.575 284 HA ALA 36 HA ALA 36 -11.472 -3.203 -8.444 285 1HB ALA 36 1HB ALA 36 -9.615 -3.514 -10.019 286 2HB ALA 36 2HB ALA 36 -10.556 -4.997 -9.858 287 3HB ALA 36 3HB ALA 36 -9.003 -4.845 -9.037 288 H ARG 37 H ARG 37 -9.120 -5.428 -7.020 289 HA ARG 37 HA ARG 37 -11.198 -6.511 -5.278 290 1HB ARG 37 1HB ARG 37 -9.572 -8.197 -7.194 291 2HB ARG 37 2HB ARG 37 -10.460 -8.849 -5.830 292 1HG ARG 37 1HG ARG 37 -11.669 -7.385 -8.166 293 2HG ARG 37 2HG ARG 37 -11.625 -9.139 -7.968 294 1HD ARG 37 1HD ARG 37 -12.905 -8.881 -5.863 295 2HD ARG 37 2HD ARG 37 -13.006 -7.149 -6.174 296 HE ARG 37 HE ARG 37 -13.981 -8.880 -8.262 297 1HH1 ARG 37 1HH1 ARG 37 -14.787 -6.821 -5.483 298 2HH1 ARG 37 2HH1 ARG 37 -16.443 -6.754 -5.835 299 1HH2 ARG 37 1HH2 ARG 37 -16.279 -8.801 -8.723 300 2HH2 ARG 37 2HH2 ARG 37 -17.315 -7.917 -7.709 301 H ARG 38 H ARG 38 -8.036 -7.634 -6.267 302 HA ARG 38 HA ARG 38 -6.700 -6.692 -3.935 303 1HB ARG 38 1HB ARG 38 -6.019 -8.915 -3.137 304 2HB ARG 38 2HB ARG 38 -7.776 -8.842 -3.140 305 1HG ARG 38 1HG ARG 38 -7.833 -10.124 -5.203 306 2HG ARG 38 2HG ARG 38 -6.072 -10.163 -5.235 307 1HD ARG 38 1HD ARG 38 -6.207 -11.275 -2.964 308 2HD ARG 38 2HD ARG 38 -7.935 -11.464 -3.278 309 HE ARG 38 HE ARG 38 -6.373 -12.380 -5.440 310 1HH1 ARG 38 1HH1 ARG 38 -7.812 -13.393 -2.385 311 2HH1 ARG 38 2HH1 ARG 38 -7.347 -15.029 -2.549 312 1HH2 ARG 38 1HH2 ARG 38 -5.813 -14.622 -5.703 313 2HH2 ARG 38 2HH2 ARG 38 -6.226 -15.759 -4.508 314 H VAL 39 H VAL 39 -4.656 -6.230 -4.672 315 HA VAL 39 HA VAL 39 -3.736 -7.697 -7.013 316 HB VAL 39 HB VAL 39 -4.053 -4.680 -6.936 317 1HG1 VAL 39 1HG1 VAL 39 -1.823 -5.170 -7.845 318 2HG1 VAL 39 2HG1 VAL 39 -2.900 -4.618 -9.133 319 3HG1 VAL 39 3HG1 VAL 39 -2.531 -6.331 -8.964 320 1HG2 VAL 39 1HG2 VAL 39 -5.295 -5.029 -9.017 321 2HG2 VAL 39 2HG2 VAL 39 -5.987 -5.957 -7.687 322 3HG2 VAL 39 3HG2 VAL 39 -4.984 -6.759 -8.894 323 H VAL 40 H VAL 40 -1.619 -7.918 -7.201 324 HA VAL 40 HA VAL 40 -0.030 -6.833 -5.039 325 HB VAL 40 HB VAL 40 -0.015 -9.314 -5.076 326 1HG1 VAL 40 1HG1 VAL 40 1.005 -9.094 -7.892 327 2HG1 VAL 40 2HG1 VAL 40 -0.569 -9.709 -7.383 328 3HG1 VAL 40 3HG1 VAL 40 0.899 -10.582 -6.952 329 1HG2 VAL 40 1HG2 VAL 40 2.396 -9.763 -5.238 330 2HG2 VAL 40 2HG2 VAL 40 2.084 -8.239 -4.398 331 3HG2 VAL 40 3HG2 VAL 40 2.623 -8.227 -6.074 332 H HIS 41 H HIS 41 1.985 -5.866 -5.595 333 HA HIS 41 HA HIS 41 2.503 -5.458 -8.433 334 1HB HIS 41 1HB HIS 41 1.253 -3.517 -7.377 335 2HB HIS 41 2HB HIS 41 2.637 -3.299 -6.320 336 HD1 HIS 41 HD1 HIS 41 4.112 -1.392 -7.153 337 HD2 HIS 41 HD2 HIS 41 2.070 -3.292 -10.236 338 HE1 HIS 41 HE1 HIS 41 4.828 -0.266 -9.263 339 H ILE 42 H ILE 42 4.638 -5.652 -8.814 340 HA ILE 42 HA ILE 42 6.223 -6.377 -6.525 341 HB ILE 42 HB ILE 42 6.130 -7.918 -8.501 342 1HG1 ILE 42 1HG1 ILE 42 8.921 -6.834 -8.100 343 2HG1 ILE 42 2HG1 ILE 42 8.088 -7.827 -6.909 344 1HG2 ILE 42 1HG2 ILE 42 7.355 -7.362 -10.545 345 2HG2 ILE 42 2HG2 ILE 42 7.611 -5.726 -9.938 346 3HG2 ILE 42 3HG2 ILE 42 5.977 -6.293 -10.284 347 1HD1 ILE 42 1HD1 ILE 42 7.971 -9.653 -8.512 348 2HD1 ILE 42 2HD1 ILE 42 9.639 -9.134 -8.264 349 3HD1 ILE 42 3HD1 ILE 42 8.768 -8.653 -9.721 350 H LYS 43 H LYS 43 8.111 -5.385 -6.006 351 HA LYS 43 HA LYS 43 9.496 -3.695 -5.611 352 1HB LYS 43 1HB LYS 43 8.907 -2.787 -8.448 353 2HB LYS 43 2HB LYS 43 10.023 -1.962 -7.389 354 1HG LYS 43 1HG LYS 43 11.356 -4.102 -7.326 355 2HG LYS 43 2HG LYS 43 10.295 -4.695 -8.609 356 1HD LYS 43 1HD LYS 43 10.923 -2.847 -10.044 357 2HD LYS 43 2HD LYS 43 11.888 -2.133 -8.760 358 1HE LYS 43 1HE LYS 43 13.393 -3.205 -10.263 359 2HE LYS 43 2HE LYS 43 13.319 -4.188 -8.808 360 1HZ LYS 43 1HZ LYS 43 13.259 -5.594 -10.717 361 2HZ LYS 43 2HZ LYS 43 12.028 -4.745 -11.423 362 3HZ LYS 43 3HZ LYS 43 11.721 -5.669 -10.050 363 HA PRO 44 HA PRO 44 5.899 -0.893 -4.777 364 1HB PRO 44 1HB PRO 44 5.707 -1.234 -2.121 365 2HB PRO 44 2HB PRO 44 4.908 -2.336 -3.256 366 1HG PRO 44 1HG PRO 44 7.545 -2.668 -1.861 367 2HG PRO 44 2HG PRO 44 6.223 -3.842 -1.977 368 1HD PRO 44 1HD PRO 44 8.336 -3.968 -3.608 369 2HD PRO 44 2HD PRO 44 6.701 -4.348 -4.181 370 H GLY 45 H GLY 45 6.015 0.980 -3.144 371 1HA GLY 45 1HA GLY 45 8.442 1.613 -1.898 372 2HA GLY 45 2HA GLY 45 8.404 2.339 -3.510 373 H GLU 46 H GLU 46 5.958 1.737 -1.059 374 HA GLU 46 HA GLU 46 5.279 4.570 -1.286 375 1HB GLU 46 1HB GLU 46 3.070 3.882 -1.207 376 2HB GLU 46 2HB GLU 46 3.900 2.575 -1.875 377 1HG GLU 46 1HG GLU 46 3.199 2.565 1.042 378 2HG GLU 46 2HG GLU 46 2.291 1.752 -0.226 379 H LYS 47 H LYS 47 4.639 5.627 0.463 380 HA LYS 47 HA LYS 47 5.059 4.615 3.083 381 1HB LYS 47 1HB LYS 47 6.638 6.850 1.869 382 2HB LYS 47 2HB LYS 47 6.183 6.965 3.572 383 1HG LYS 47 1HG LYS 47 7.505 4.545 2.426 384 2HG LYS 47 2HG LYS 47 8.437 5.894 3.085 385 1HD LYS 47 1HD LYS 47 7.766 5.505 5.203 386 2HD LYS 47 2HD LYS 47 6.208 4.866 4.746 387 1HE LYS 47 1HE LYS 47 8.829 3.386 4.339 388 2HE LYS 47 2HE LYS 47 7.801 3.166 5.751 389 1HZ LYS 47 1HZ LYS 47 6.956 2.570 2.927 390 2HZ LYS 47 2HZ LYS 47 6.044 2.356 4.319 391 3HZ LYS 47 3HZ LYS 47 7.406 1.443 4.110 392 H ILE 48 H ILE 48 2.917 4.526 2.798 393 HA ILE 48 HA ILE 48 1.466 6.996 2.578 394 HB ILE 48 HB ILE 48 0.548 4.140 2.806 395 1HG1 ILE 48 1HG1 ILE 48 0.647 5.908 0.365 396 2HG1 ILE 48 2HG1 ILE 48 1.788 4.619 0.733 397 1HG2 ILE 48 1HG2 ILE 48 -1.625 5.044 1.916 398 2HG2 ILE 48 2HG2 ILE 48 -1.034 6.664 2.319 399 3HG2 ILE 48 3HG2 ILE 48 -1.244 5.437 3.576 400 1HD1 ILE 48 1HD1 ILE 48 -0.048 2.998 0.638 401 2HD1 ILE 48 2HD1 ILE 48 0.177 3.866 -0.875 402 3HD1 ILE 48 3HD1 ILE 48 -1.155 4.302 0.202 403 H LEU 49 H LEU 49 1.461 8.119 4.450 404 HA LEU 49 HA LEU 49 0.873 8.735 6.578 405 1HB LEU 49 1HB LEU 49 -0.093 5.985 7.217 406 2HB LEU 49 2HB LEU 49 -0.720 7.522 7.761 407 HG LEU 49 HG LEU 49 -1.004 6.735 4.928 408 1HD1 LEU 49 1HD1 LEU 49 -3.106 5.636 5.468 409 2HD1 LEU 49 2HD1 LEU 49 -2.694 5.752 7.182 410 3HD1 LEU 49 3HD1 LEU 49 -1.687 4.807 6.088 411 1HD2 LEU 49 1HD2 LEU 49 -3.105 7.938 5.138 412 2HD2 LEU 49 2HD2 LEU 49 -1.660 8.876 5.339 413 3HD2 LEU 49 3HD2 LEU 49 -2.618 8.440 6.750 414 H GLY 50 H GLY 50 3.248 6.980 5.757 415 1HA GLY 50 1HA GLY 50 5.209 6.406 6.910 416 2HA GLY 50 2HA GLY 50 4.315 6.499 8.432 417 H ALA 51 H ALA 51 2.255 4.900 8.166 418 HA ALA 51 HA ALA 51 3.221 2.258 7.401 419 1HB ALA 51 1HB ALA 51 1.642 3.044 9.875 420 2HB ALA 51 2HB ALA 51 3.299 2.443 9.857 421 3HB ALA 51 3HB ALA 51 1.971 1.387 9.374 422 H ARG 52 H ARG 52 1.932 1.548 5.896 423 HA ARG 52 HA ARG 52 -0.306 2.981 5.004 424 1HB ARG 52 1HB ARG 52 1.231 1.758 3.520 425 2HB ARG 52 2HB ARG 52 0.688 0.243 4.194 426 1HG ARG 52 1HG ARG 52 -1.185 2.090 2.714 427 2HG ARG 52 2HG ARG 52 -0.169 0.923 1.876 428 1HD ARG 52 1HD ARG 52 -2.310 0.344 3.923 429 2HD ARG 52 2HD ARG 52 -2.364 -0.025 2.196 430 HE ARG 52 HE ARG 52 -0.103 -1.231 3.267 431 1HH1 ARG 52 1HH1 ARG 52 -3.612 -1.643 3.393 432 2HH1 ARG 52 2HH1 ARG 52 -3.527 -3.258 3.934 433 1HH2 ARG 52 1HH2 ARG 52 0.003 -3.394 4.007 434 2HH2 ARG 52 2HH2 ARG 52 -1.423 -4.285 4.314 435 H ILE 53 H ILE 53 -2.014 3.142 6.139 436 HA ILE 53 HA ILE 53 -3.448 0.776 7.166 437 HB ILE 53 HB ILE 53 -3.660 3.710 7.900 438 1HG1 ILE 53 1HG1 ILE 53 -1.592 2.781 8.793 439 2HG1 ILE 53 2HG1 ILE 53 -2.717 3.090 10.109 440 1HG2 ILE 53 1HG2 ILE 53 -5.147 2.984 9.749 441 2HG2 ILE 53 2HG2 ILE 53 -5.073 1.334 9.132 442 3HG2 ILE 53 3HG2 ILE 53 -5.810 2.606 8.157 443 1HD1 ILE 53 1HD1 ILE 53 -1.543 0.994 10.428 444 2HD1 ILE 53 2HD1 ILE 53 -2.121 0.406 8.872 445 3HD1 ILE 53 3HD1 ILE 53 -3.264 0.700 10.183 446 H ILE 54 H ILE 54 -5.512 0.470 6.244 447 HA ILE 54 HA ILE 54 -6.109 1.956 3.844 448 HB ILE 54 HB ILE 54 -7.757 -0.165 5.279 449 1HG1 ILE 54 1HG1 ILE 54 -5.781 -0.499 3.005 450 2HG1 ILE 54 2HG1 ILE 54 -5.490 -0.975 4.670 451 1HG2 ILE 54 1HG2 ILE 54 -7.886 0.727 2.392 452 2HG2 ILE 54 2HG2 ILE 54 -9.030 1.187 3.646 453 3HG2 ILE 54 3HG2 ILE 54 -8.892 -0.503 3.158 454 1HD1 ILE 54 1HD1 ILE 54 -6.057 -2.887 3.297 455 2HD1 ILE 54 2HD1 ILE 54 -7.576 -2.124 2.827 456 3HD1 ILE 54 3HD1 ILE 54 -7.312 -2.609 4.504 457 H GLY 55 H GLY 55 -7.354 1.800 7.113 458 1HA GLY 55 1HA GLY 55 -8.376 3.603 8.215 459 2HA GLY 55 2HA GLY 55 -8.598 4.387 6.653 460 H ILE 56 H ILE 56 -9.601 1.818 5.627 461 HA ILE 56 HA ILE 56 -12.347 2.100 6.523 462 HB ILE 56 HB ILE 56 -11.162 0.731 4.098 463 1HG1 ILE 56 1HG1 ILE 56 -11.021 3.157 3.918 464 2HG1 ILE 56 2HG1 ILE 56 -12.209 2.540 2.780 465 1HG2 ILE 56 1HG2 ILE 56 -13.489 0.490 3.277 466 2HG2 ILE 56 2HG2 ILE 56 -14.077 1.121 4.815 467 3HG2 ILE 56 3HG2 ILE 56 -13.205 -0.410 4.767 468 1HD1 ILE 56 1HD1 ILE 56 -14.000 3.230 4.312 469 2HD1 ILE 56 2HD1 ILE 56 -12.988 4.582 3.809 470 3HD1 ILE 56 3HD1 ILE 56 -12.789 3.883 5.415 471 HA PRO 57 HA PRO 57 -11.515 -1.625 8.913 472 1HB PRO 57 1HB PRO 57 -14.476 -1.751 8.970 473 2HB PRO 57 2HB PRO 57 -13.327 -1.754 10.313 474 1HG PRO 57 1HG PRO 57 -14.801 0.391 9.769 475 2HG PRO 57 2HG PRO 57 -13.118 0.543 10.312 476 1HD PRO 57 1HD PRO 57 -14.267 0.837 7.573 477 2HD PRO 57 2HD PRO 57 -12.979 1.763 8.377 478 HA PRO 58 HA PRO 58 -12.710 -4.453 5.591 479 1HB PRO 58 1HB PRO 58 -10.353 -5.715 5.467 480 2HB PRO 58 2HB PRO 58 -10.597 -4.139 4.719 481 1HG PRO 58 1HG PRO 58 -8.960 -4.835 7.042 482 2HG PRO 58 2HG PRO 58 -8.988 -3.330 6.112 483 1HD PRO 58 1HD PRO 58 -10.306 -3.960 8.643 484 2HD PRO 58 2HD PRO 58 -10.063 -2.388 7.845 485 H VAL 59 H VAL 59 -12.326 -6.894 5.487 486 HA VAL 59 HA VAL 59 -13.177 -8.125 7.874 487 HB VAL 59 HB VAL 59 -11.990 -9.398 5.365 488 1HG1 VAL 59 1HG1 VAL 59 -13.048 -11.486 6.108 489 2HG1 VAL 59 2HG1 VAL 59 -13.567 -10.694 7.594 490 3HG1 VAL 59 3HG1 VAL 59 -11.849 -10.929 7.276 491 1HG2 VAL 59 1HG2 VAL 59 -14.860 -9.043 6.211 492 2HG2 VAL 59 2HG2 VAL 59 -14.302 -9.850 4.744 493 3HG2 VAL 59 3HG2 VAL 59 -14.030 -8.119 4.963 494 HA PRO 60 HA PRO 60 -9.166 -7.932 9.700 495 1HB PRO 60 1HB PRO 60 -9.736 -9.014 12.073 496 2HB PRO 60 2HB PRO 60 -10.386 -7.443 11.590 497 1HG PRO 60 1HG PRO 60 -11.698 -10.136 11.500 498 2HG PRO 60 2HG PRO 60 -12.356 -8.607 12.111 499 1HD PRO 60 1HD PRO 60 -12.921 -9.568 9.643 500 2HD PRO 60 2HD PRO 60 -12.831 -7.832 10.005 501 H ILE 61 H ILE 61 -8.993 -9.991 7.828 502 HA ILE 61 HA ILE 61 -7.658 -12.062 9.432 503 HB ILE 61 HB ILE 61 -9.108 -12.450 6.774 504 1HG1 ILE 61 1HG1 ILE 61 -9.911 -13.476 9.504 505 2HG1 ILE 61 2HG1 ILE 61 -10.645 -12.090 8.712 506 1HG2 ILE 61 1HG2 ILE 61 -7.177 -13.952 7.063 507 2HG2 ILE 61 2HG2 ILE 61 -8.692 -14.852 7.133 508 3HG2 ILE 61 3HG2 ILE 61 -7.819 -14.482 8.619 509 1HD1 ILE 61 1HD1 ILE 61 -11.410 -13.534 6.910 510 2HD1 ILE 61 2HD1 ILE 61 -12.002 -14.090 8.476 511 3HD1 ILE 61 3HD1 ILE 61 -10.647 -14.914 7.696 512 H GLY 62 H GLY 62 -5.566 -12.635 8.506 513 1HA GLY 62 1HA GLY 62 -4.678 -12.257 6.003 514 2HA GLY 62 2HA GLY 62 -4.617 -10.629 6.673 515 H ILE 63 H ILE 63 -2.496 -12.386 5.698 516 HA ILE 63 HA ILE 63 -0.894 -12.455 8.136 517 HB ILE 63 HB ILE 63 0.296 -14.404 7.210 518 1HG1 ILE 63 1HG1 ILE 63 -1.952 -14.491 5.182 519 2HG1 ILE 63 2HG1 ILE 63 -0.277 -14.083 4.841 520 1HG2 ILE 63 1HG2 ILE 63 -1.435 -14.746 8.888 521 2HG2 ILE 63 2HG2 ILE 63 -1.415 -16.097 7.754 522 3HG2 ILE 63 3HG2 ILE 63 -2.663 -14.856 7.629 523 1HD1 ILE 63 1HD1 ILE 63 -1.287 -16.742 5.813 524 2HD1 ILE 63 2HD1 ILE 63 0.396 -16.330 5.468 525 3HD1 ILE 63 3HD1 ILE 63 -0.795 -16.337 4.168 526 H ASP 64 H ASP 64 1.308 -12.055 7.800 527 HA ASP 64 HA ASP 64 2.049 -10.896 5.196 528 1HB ASP 64 1HB ASP 64 1.680 -9.183 7.007 529 2HB ASP 64 2HB ASP 64 2.942 -9.969 7.945 530 H GLU 65 H GLU 65 3.609 -12.180 4.326 531 HA GLU 65 HA GLU 65 4.927 -14.080 6.025 532 1HB GLU 65 1HB GLU 65 4.966 -13.641 3.045 533 2HB GLU 65 2HB GLU 65 5.942 -14.868 3.815 534 1HG GLU 65 1HG GLU 65 3.868 -15.853 4.765 535 2HG GLU 65 2HG GLU 65 2.939 -14.662 3.862 536 H GLU 66 H GLU 66 6.215 -11.963 3.545 537 HA GLU 66 HA GLU 66 8.383 -11.131 5.274 538 1HB GLU 66 1HB GLU 66 9.028 -13.310 4.113 539 2HB GLU 66 2HB GLU 66 8.825 -12.445 2.596 540 1HG GLU 66 1HG GLU 66 10.609 -10.894 3.350 541 2HG GLU 66 2HG GLU 66 10.890 -12.008 4.697 542 H ARG 67 H ARG 67 9.530 -9.403 3.997 543 HA ARG 67 HA ARG 67 7.501 -7.883 2.634 544 1HB ARG 67 1HB ARG 67 8.994 -6.776 4.265 545 2HB ARG 67 2HB ARG 67 10.349 -7.133 3.195 546 1HG ARG 67 1HG ARG 67 9.403 -4.776 3.098 547 2HG ARG 67 2HG ARG 67 9.636 -5.622 1.563 548 1HD ARG 67 1HD ARG 67 7.467 -4.512 1.619 549 2HD ARG 67 2HD ARG 67 7.352 -6.266 1.520 550 HE ARG 67 HE ARG 67 7.071 -4.901 4.107 551 1HH1 ARG 67 1HH1 ARG 67 5.639 -7.070 1.634 552 2HH1 ARG 67 2HH1 ARG 67 4.424 -7.619 2.697 553 1HH2 ARG 67 1HH2 ARG 67 5.356 -5.728 5.481 554 2HH2 ARG 67 2HH2 ARG 67 4.287 -6.910 4.888 555 H SER 68 H SER 68 10.454 -9.443 1.892 556 HA SER 68 HA SER 68 10.365 -8.676 -0.850 557 1HB SER 68 1HB SER 68 12.450 -10.308 -0.701 558 2HB SER 68 2HB SER 68 12.507 -8.650 -0.062 559 HG SER 68 HG SER 68 12.125 -11.078 1.337 560 H THR 69 H THR 69 8.251 -10.143 0.165 561 HA THR 69 HA THR 69 7.912 -12.240 -1.730 562 HB THR 69 HB THR 69 7.641 -12.741 1.261 563 HG1 THR 69 HG1 THR 69 9.874 -12.996 0.709 564 1HG2 THR 69 1HG2 THR 69 7.118 -15.094 0.663 565 2HG2 THR 69 2HG2 THR 69 7.206 -14.664 -1.042 566 3HG2 THR 69 3HG2 THR 69 5.945 -13.970 -0.022 567 H VAL 70 H VAL 70 5.417 -12.809 -1.381 568 HA VAL 70 HA VAL 70 4.028 -10.262 -1.150 569 HB VAL 70 HB VAL 70 2.053 -11.502 -1.780 570 1HG1 VAL 70 1HG1 VAL 70 4.417 -12.108 -3.517 571 2HG1 VAL 70 2HG1 VAL 70 3.343 -10.704 -3.585 572 3HG1 VAL 70 3HG1 VAL 70 2.736 -12.299 -4.009 573 1HG2 VAL 70 1HG2 VAL 70 2.433 -13.606 -0.638 574 2HG2 VAL 70 2HG2 VAL 70 3.786 -13.975 -1.701 575 3HG2 VAL 70 3HG2 VAL 70 2.149 -13.907 -2.352 576 H MET 71 H MET 71 2.224 -10.009 0.034 577 HA MET 71 HA MET 71 2.161 -11.463 2.567 578 1HB MET 71 1HB MET 71 1.359 -9.395 3.646 579 2HB MET 71 2HB MET 71 2.905 -9.085 2.883 580 1HG MET 71 1HG MET 71 1.732 -8.015 1.001 581 2HG MET 71 2HG MET 71 0.198 -8.300 1.818 582 1HE MET 71 1HE MET 71 -0.473 -5.736 1.736 583 2HE MET 71 2HE MET 71 0.987 -5.469 0.797 584 3HE MET 71 3HE MET 71 0.628 -4.433 2.182 585 H ILE 72 H ILE 72 0.147 -12.339 2.976 586 HA ILE 72 HA ILE 72 -1.833 -11.692 0.924 587 HB ILE 72 HB ILE 72 -1.502 -14.382 2.298 588 1HG1 ILE 72 1HG1 ILE 72 0.307 -13.954 0.660 589 2HG1 ILE 72 2HG1 ILE 72 -0.765 -15.240 0.123 590 1HG2 ILE 72 1HG2 ILE 72 -3.360 -13.518 0.080 591 2HG2 ILE 72 2HG2 ILE 72 -3.824 -13.903 1.736 592 3HG2 ILE 72 3HG2 ILE 72 -3.186 -15.166 0.682 593 1HD1 ILE 72 1HD1 ILE 72 -0.148 -13.796 -1.725 594 2HD1 ILE 72 2HD1 ILE 72 -0.765 -12.389 -0.864 595 3HD1 ILE 72 3HD1 ILE 72 -1.875 -13.652 -1.395 596 HA PRO 73 HA PRO 73 -3.904 -10.804 4.754 597 1HB PRO 73 1HB PRO 73 -4.817 -8.297 3.806 598 2HB PRO 73 2HB PRO 73 -3.477 -8.573 4.918 599 1HG PRO 73 1HG PRO 73 -3.265 -7.576 2.303 600 2HG PRO 73 2HG PRO 73 -1.935 -8.200 3.292 601 1HD PRO 73 1HD PRO 73 -3.502 -9.558 1.146 602 2HD PRO 73 2HD PRO 73 -1.781 -9.717 1.574 603 H TYR 74 H TYR 74 -6.125 -11.062 5.085 604 HA TYR 74 HA TYR 74 -7.735 -11.130 2.688 605 1HB TYR 74 1HB TYR 74 -7.872 -12.885 5.146 606 2HB TYR 74 2HB TYR 74 -9.207 -12.771 3.997 607 HD1 TYR 74 HD1 TYR 74 -8.683 -13.289 1.552 608 HD2 TYR 74 HD2 TYR 74 -6.110 -14.396 4.746 609 HE1 TYR 74 HE1 TYR 74 -7.618 -14.960 0.098 610 HE2 TYR 74 HE2 TYR 74 -5.035 -16.072 3.300 611 HH TYR 74 HH TYR 74 -5.672 -17.385 1.292 612 H THR 75 H THR 75 -7.168 -8.927 3.728 613 HA THR 75 HA THR 75 -9.324 -8.064 5.412 614 HB THR 75 HB THR 75 -8.252 -5.889 5.171 615 HG1 THR 75 HG1 THR 75 -7.228 -6.590 3.123 616 1HG2 THR 75 1HG2 THR 75 -6.404 -8.091 6.129 617 2HG2 THR 75 2HG2 THR 75 -7.643 -7.273 7.081 618 3HG2 THR 75 3HG2 THR 75 -6.218 -6.386 6.540 619 H LYS 76 H LYS 76 -11.053 -7.940 4.328 620 HA LYS 76 HA LYS 76 -11.031 -7.010 1.533 621 1HB LYS 76 1HB LYS 76 -13.302 -8.385 2.988 622 2HB LYS 76 2HB LYS 76 -13.114 -8.166 1.253 623 1HG LYS 76 1HG LYS 76 -11.228 -9.704 1.227 624 2HG LYS 76 2HG LYS 76 -11.307 -9.861 2.975 625 1HD LYS 76 1HD LYS 76 -12.323 -11.796 2.004 626 2HD LYS 76 2HD LYS 76 -13.593 -10.813 2.719 627 1HE LYS 76 1HE LYS 76 -14.333 -11.629 0.576 628 2HE LYS 76 2HE LYS 76 -14.082 -9.890 0.460 629 1HZ LYS 76 1HZ LYS 76 -13.166 -11.008 -1.460 630 2HZ LYS 76 2HZ LYS 76 -12.274 -12.027 -0.513 631 3HZ LYS 76 3HZ LYS 76 -11.872 -10.392 -0.566 632 HA PRO 77 HA PRO 77 -13.088 -3.471 3.589 633 1HB PRO 77 1HB PRO 77 -11.543 -1.571 2.348 634 2HB PRO 77 2HB PRO 77 -11.096 -2.347 3.864 635 1HG PRO 77 1HG PRO 77 -9.801 -2.589 1.313 636 2HG PRO 77 2HG PRO 77 -9.372 -3.393 2.828 637 1HD PRO 77 1HD PRO 77 -10.934 -4.421 0.524 638 2HD PRO 77 2HD PRO 77 -9.969 -5.300 1.732 639 H CYS 78 H CYS 78 -13.494 -1.150 2.264 640 HA CYS 78 HA CYS 78 -15.171 -1.968 0.051 641 1HB CYS 78 1HB CYS 78 -15.995 -0.444 1.863 642 2HB CYS 78 2HB CYS 78 -14.843 0.763 1.316 643 HG CYS 78 HG CYS 78 -17.303 -0.449 -0.723 644 H TYR 79 H TYR 79 -12.041 -1.017 0.399 645 HA TYR 79 HA TYR 79 -11.909 0.414 -2.151 646 1HB TYR 79 1HB TYR 79 -10.646 1.300 -0.161 647 2HB TYR 79 2HB TYR 79 -9.679 -0.163 -0.168 648 HD1 TYR 79 HD1 TYR 79 -7.962 -0.505 -1.927 649 HD2 TYR 79 HD2 TYR 79 -10.307 3.043 -1.789 650 HE1 TYR 79 HE1 TYR 79 -6.361 0.607 -3.433 651 HE2 TYR 79 HE2 TYR 79 -8.721 4.156 -3.296 652 HH TYR 79 HH TYR 79 -6.288 3.909 -3.840 653 H GLY 80 H GLY 80 -9.705 -2.000 -0.679 654 1HA GLY 80 1HA GLY 80 -10.267 -4.170 -2.247 655 2HA GLY 80 2HA GLY 80 -9.068 -3.207 -3.116 656 H THR 81 H THR 81 -8.227 -5.609 -2.368 657 HA THR 81 HA THR 81 -6.915 -5.350 0.218 658 HB THR 81 HB THR 81 -6.965 -7.710 -1.673 659 HG1 THR 81 HG1 THR 81 -8.562 -7.155 0.629 660 1HG2 THR 81 1HG2 THR 81 -6.308 -7.518 1.275 661 2HG2 THR 81 2HG2 THR 81 -5.139 -7.757 -0.022 662 3HG2 THR 81 3HG2 THR 81 -6.339 -9.003 0.324 663 H ALA 82 H ALA 82 -4.687 -5.366 0.452 664 HA ALA 82 HA ALA 82 -3.317 -4.547 -1.969 665 1HB ALA 82 1HB ALA 82 -1.877 -3.303 -0.450 666 2HB ALA 82 2HB ALA 82 -2.817 -3.886 0.923 667 3HB ALA 82 3HB ALA 82 -3.569 -2.838 -0.279 668 H VAL 83 H VAL 83 -1.761 -5.912 -2.660 669 HA VAL 83 HA VAL 83 -0.257 -7.512 -0.703 670 HB VAL 83 HB VAL 83 -0.908 -8.253 -3.582 671 1HG1 VAL 83 1HG1 VAL 83 1.175 -9.200 -2.744 672 2HG1 VAL 83 2HG1 VAL 83 -0.034 -10.464 -2.975 673 3HG1 VAL 83 3HG1 VAL 83 0.321 -9.869 -1.355 674 1HG2 VAL 83 1HG2 VAL 83 -2.171 -9.366 -1.073 675 2HG2 VAL 83 2HG2 VAL 83 -2.421 -9.987 -2.703 676 3HG2 VAL 83 3HG2 VAL 83 -2.970 -8.364 -2.283 677 H VAL 84 H VAL 84 1.871 -6.926 -0.736 678 HA VAL 84 HA VAL 84 2.878 -5.724 -3.201 679 HB VAL 84 HB VAL 84 4.238 -4.052 -1.941 680 1HG1 VAL 84 1HG1 VAL 84 2.555 -2.613 -1.041 681 2HG1 VAL 84 2HG1 VAL 84 1.392 -3.938 -1.078 682 3HG1 VAL 84 3HG1 VAL 84 2.078 -3.326 -2.582 683 1HG2 VAL 84 1HG2 VAL 84 4.027 -3.773 0.485 684 2HG2 VAL 84 2HG2 VAL 84 4.680 -5.360 0.089 685 3HG2 VAL 84 3HG2 VAL 84 2.995 -5.202 0.573 686 H GLU 85 H GLU 85 4.856 -6.461 -3.865 687 HA GLU 85 HA GLU 85 6.318 -8.153 -2.003 688 1HB GLU 85 1HB GLU 85 5.060 -9.682 -3.392 689 2HB GLU 85 2HB GLU 85 5.625 -8.873 -4.857 690 1HG GLU 85 1HG GLU 85 7.912 -9.563 -4.333 691 2HG GLU 85 2HG GLU 85 7.316 -10.347 -2.870 692 H LEU 86 H LEU 86 8.316 -7.567 -1.903 693 HA LEU 86 HA LEU 86 9.338 -5.768 -3.963 694 1HB LEU 86 1HB LEU 86 9.209 -5.042 -1.572 695 2HB LEU 86 2HB LEU 86 10.306 -6.337 -1.160 696 HG LEU 86 HG LEU 86 11.968 -5.242 -2.703 697 1HD1 LEU 86 1HD1 LEU 86 10.528 -3.855 -3.985 698 2HD1 LEU 86 2HD1 LEU 86 11.697 -2.857 -3.124 699 3HD1 LEU 86 3HD1 LEU 86 10.034 -2.959 -2.548 700 1HD2 LEU 86 1HD2 LEU 86 11.038 -3.794 -0.239 701 2HD2 LEU 86 2HD2 LEU 86 12.598 -3.547 -1.017 702 3HD2 LEU 86 3HD2 LEU 86 12.206 -5.116 -0.310 703 HA PRO 87 HA PRO 87 11.991 -9.347 -4.841 704 1HB PRO 87 1HB PRO 87 13.243 -8.424 -7.026 705 2HB PRO 87 2HB PRO 87 11.537 -8.882 -7.084 706 1HG PRO 87 1HG PRO 87 12.762 -6.168 -6.884 707 2HG PRO 87 2HG PRO 87 11.367 -6.698 -7.837 708 1HD PRO 87 1HD PRO 87 11.202 -5.395 -5.402 709 2HD PRO 87 2HD PRO 87 9.921 -6.418 -6.081 710 H VAL 88 H VAL 88 12.696 -6.494 -3.629 711 HA VAL 88 HA VAL 88 15.622 -6.723 -3.531 712 HB VAL 88 HB VAL 88 13.899 -4.475 -2.467 713 1HG1 VAL 88 1HG1 VAL 88 16.131 -4.480 -1.638 714 2HG1 VAL 88 2HG1 VAL 88 15.874 -3.096 -2.699 715 3HG1 VAL 88 3HG1 VAL 88 16.772 -4.498 -3.280 716 1HG2 VAL 88 1HG2 VAL 88 13.319 -4.637 -4.808 717 2HG2 VAL 88 2HG2 VAL 88 15.021 -4.650 -5.256 718 3HG2 VAL 88 3HG2 VAL 88 14.311 -3.201 -4.542 719 H ASP 89 H ASP 89 16.481 -6.565 -1.337 720 HA ASP 89 HA ASP 89 15.144 -8.113 0.597 721 1HB ASP 89 1HB ASP 89 17.547 -6.324 0.721 722 2HB ASP 89 2HB ASP 89 16.903 -7.056 2.184 723 HA PRO 90 HA PRO 90 12.336 -5.454 2.665 724 1HB PRO 90 1HB PRO 90 12.961 -6.060 5.327 725 2HB PRO 90 2HB PRO 90 11.836 -6.972 4.333 726 1HG PRO 90 1HG PRO 90 14.708 -7.503 4.928 727 2HG PRO 90 2HG PRO 90 13.366 -8.649 4.764 728 1HD PRO 90 1HD PRO 90 15.153 -8.357 2.813 729 2HD PRO 90 2HD PRO 90 13.431 -8.572 2.436 730 H GLU 91 H GLU 91 15.662 -5.324 3.439 731 HA GLU 91 HA GLU 91 15.821 -3.170 5.209 732 1HB GLU 91 1HB GLU 91 18.150 -2.965 4.480 733 2HB GLU 91 2HB GLU 91 17.708 -4.644 4.759 734 1HG GLU 91 1HG GLU 91 17.440 -4.971 2.358 735 2HG GLU 91 2HG GLU 91 17.870 -3.293 2.077 736 H GLU 92 H GLU 92 15.080 -3.234 1.830 737 HA GLU 92 HA GLU 92 15.988 -0.578 1.210 738 1HB GLU 92 1HB GLU 92 15.475 -2.333 -0.531 739 2HB GLU 92 2HB GLU 92 13.773 -2.116 -0.118 740 1HG GLU 92 1HG GLU 92 14.270 -0.891 -2.129 741 2HG GLU 92 2HG GLU 92 13.901 0.226 -0.819 742 H ILE 93 H ILE 93 12.975 -2.036 2.218 743 HA ILE 93 HA ILE 93 11.629 0.419 2.050 744 HB ILE 93 HB ILE 93 10.722 -2.265 3.103 745 1HG1 ILE 93 1HG1 ILE 93 9.969 -0.545 0.738 746 2HG1 ILE 93 2HG1 ILE 93 10.986 -1.973 0.699 747 1HG2 ILE 93 1HG2 ILE 93 9.066 0.271 2.989 748 2HG2 ILE 93 2HG2 ILE 93 9.588 -0.543 4.464 749 3HG2 ILE 93 3HG2 ILE 93 8.462 -1.344 3.367 750 1HD1 ILE 93 1HD1 ILE 93 8.060 -1.895 1.398 751 2HD1 ILE 93 2HD1 ILE 93 9.084 -3.333 1.344 752 3HD1 ILE 93 3HD1 ILE 93 8.760 -2.426 -0.133 753 H GLU 94 H GLU 94 13.443 -1.125 4.539 754 HA GLU 94 HA GLU 94 12.448 0.522 6.652 755 1HB GLU 94 1HB GLU 94 13.714 -1.551 7.141 756 2HB GLU 94 2HB GLU 94 15.153 -0.843 6.419 757 1HG GLU 94 1HG GLU 94 15.253 0.833 8.146 758 2HG GLU 94 2HG GLU 94 13.735 0.267 8.833 759 H ARG 95 H ARG 95 15.015 0.769 4.301 760 HA ARG 95 HA ARG 95 16.047 3.241 5.169 761 1HB ARG 95 1HB ARG 95 17.419 1.815 3.804 762 2HB ARG 95 2HB ARG 95 16.174 1.664 2.593 763 1HG ARG 95 1HG ARG 95 17.374 4.348 3.064 764 2HG ARG 95 2HG ARG 95 18.312 3.135 2.190 765 1HD ARG 95 1HD ARG 95 16.442 2.838 0.631 766 2HD ARG 95 2HD ARG 95 15.533 4.069 1.499 767 HE ARG 95 HE ARG 95 17.486 5.545 0.886 768 1HH1 ARG 95 1HH1 ARG 95 16.595 2.767 -1.167 769 2HH1 ARG 95 2HH1 ARG 95 16.866 3.594 -2.629 770 1HH2 ARG 95 1HH2 ARG 95 17.834 6.672 -1.127 771 2HH2 ARG 95 2HH2 ARG 95 17.606 5.877 -2.612 772 H ILE 96 H ILE 96 13.498 2.287 2.990 773 HA ILE 96 HA ILE 96 12.860 4.924 2.142 774 HB ILE 96 HB ILE 96 11.310 2.310 1.965 775 1HG1 ILE 96 1HG1 ILE 96 13.299 2.378 0.578 776 2HG1 ILE 96 2HG1 ILE 96 11.860 2.395 -0.428 777 1HG2 ILE 96 1HG2 ILE 96 10.525 4.930 0.687 778 2HG2 ILE 96 2HG2 ILE 96 9.660 4.103 1.981 779 3HG2 ILE 96 3HG2 ILE 96 9.764 3.368 0.381 780 1HD1 ILE 96 1HD1 ILE 96 13.538 3.896 -1.309 781 2HD1 ILE 96 2HD1 ILE 96 13.622 4.759 0.221 782 3HD1 ILE 96 3HD1 ILE 96 12.147 4.824 -0.746 783 H LEU 97 H LEU 97 12.232 3.184 5.001 784 HA LEU 97 HA LEU 97 9.910 4.641 5.862 785 1HB LEU 97 1HB LEU 97 10.446 2.412 6.773 786 2HB LEU 97 2HB LEU 97 11.939 3.031 7.437 787 HG LEU 97 HG LEU 97 10.582 4.511 8.929 788 1HD1 LEU 97 1HD1 LEU 97 8.274 2.865 7.922 789 2HD1 LEU 97 2HD1 LEU 97 8.522 4.592 7.659 790 3HD1 LEU 97 3HD1 LEU 97 8.230 3.982 9.286 791 1HD2 LEU 97 1HD2 LEU 97 11.534 2.443 9.748 792 2HD2 LEU 97 2HD2 LEU 97 10.138 1.541 9.166 793 3HD2 LEU 97 3HD2 LEU 97 9.948 2.710 10.473 794 H GLU 98 H GLU 98 13.258 5.169 5.772 795 HA GLU 98 HA GLU 98 13.358 7.256 7.745 796 1HB GLU 98 1HB GLU 98 15.260 5.766 6.957 797 2HB GLU 98 2HB GLU 98 15.198 6.666 5.459 798 1HG GLU 98 1HG GLU 98 15.829 8.691 6.539 799 2HG GLU 98 2HG GLU 98 15.734 7.927 8.127 800 H VAL 99 H VAL 99 12.660 6.810 4.474 801 HA VAL 99 HA VAL 99 12.587 9.631 3.703 802 HB VAL 99 HB VAL 99 12.203 7.024 2.203 803 1HG1 VAL 99 1HG1 VAL 99 12.668 9.793 1.078 804 2HG1 VAL 99 2HG1 VAL 99 11.145 8.903 1.008 805 3HG1 VAL 99 3HG1 VAL 99 12.555 8.313 0.124 806 1HG2 VAL 99 1HG2 VAL 99 14.440 7.346 1.290 807 2HG2 VAL 99 2HG2 VAL 99 14.454 7.213 3.051 808 3HG2 VAL 99 3HG2 VAL 99 14.624 8.791 2.277 809 H ALA 100 H ALA 100 10.723 7.933 5.516 810 HA ALA 100 HA ALA 100 8.248 7.344 4.445 811 1HB ALA 100 1HB ALA 100 7.332 7.405 6.644 812 2HB ALA 100 2HB ALA 100 8.661 8.412 7.210 813 3HB ALA 100 3HB ALA 100 8.969 6.745 6.722 814 H GLU 101 H GLU 101 9.115 10.416 5.929 815 HA GLU 101 HA GLU 101 6.625 11.316 4.857 816 1HB GLU 101 1HB GLU 101 8.149 12.493 7.176 817 2HB GLU 101 2HB GLU 101 6.735 13.246 6.461 818 1HG GLU 101 1HG GLU 101 5.374 11.338 7.048 819 2HG GLU 101 2HG GLU 101 6.788 10.497 7.677 820 HA PRO 102 HA PRO 102 9.363 14.705 3.298 821 1HB PRO 102 1HB PRO 102 12.139 14.122 3.642 822 2HB PRO 102 2HB PRO 102 11.165 15.466 4.321 823 1HG PRO 102 1HG PRO 102 12.263 13.465 5.847 824 2HG PRO 102 2HG PRO 102 10.787 14.347 6.278 825 1HD PRO 102 1HD PRO 102 11.063 11.691 4.929 826 2HD PRO 102 2HD PRO 102 9.983 12.168 6.261 Start of MODEL 10 1 H HIS 1 H HIS 1 2.498 9.347 -12.040 2 HA HIS 1 HA HIS 1 0.413 8.315 -11.491 3 1HB HIS 1 1HB HIS 1 2.105 5.822 -11.109 4 2HB HIS 1 2HB HIS 1 0.426 5.983 -10.644 5 HD1 HIS 1 HD1 HIS 1 -1.360 5.734 -12.590 6 HD2 HIS 1 HD2 HIS 1 2.613 5.368 -13.778 7 HE1 HIS 1 HE1 HIS 1 -1.404 4.698 -14.864 8 H MET 2 H MET 2 0.231 9.531 -9.674 9 HA MET 2 HA MET 2 1.704 8.693 -7.325 10 1HB MET 2 1HB MET 2 1.278 11.612 -8.070 11 2HB MET 2 2HB MET 2 2.077 10.992 -6.647 12 1HG MET 2 1HG MET 2 3.795 11.810 -8.024 13 2HG MET 2 2HG MET 2 3.854 10.061 -8.196 14 1HE MET 2 1HE MET 2 1.286 12.585 -9.886 15 2HE MET 2 2HE MET 2 2.128 12.939 -11.392 16 3HE MET 2 3HE MET 2 2.815 13.462 -9.856 17 H THR 3 H THR 3 0.242 8.482 -5.685 18 HA THR 3 HA THR 3 -2.314 9.847 -6.053 19 HB THR 3 HB THR 3 -1.870 7.040 -5.035 20 HG1 THR 3 HG1 THR 3 -3.025 8.285 -7.259 21 1HG2 THR 3 1HG2 THR 3 -4.453 8.624 -5.116 22 2HG2 THR 3 2HG2 THR 3 -3.593 8.147 -3.652 23 3HG2 THR 3 3HG2 THR 3 -4.294 6.915 -4.706 24 H PHE 4 H PHE 4 -2.668 11.338 -4.653 25 HA PHE 4 HA PHE 4 -1.876 10.874 -1.862 26 1HB PHE 4 1HB PHE 4 -2.052 13.531 -3.271 27 2HB PHE 4 2HB PHE 4 -1.530 13.242 -1.606 28 HD1 PHE 4 HD1 PHE 4 0.568 12.032 -1.178 29 HD2 PHE 4 HD2 PHE 4 -0.552 13.273 -5.079 30 HE1 PHE 4 HE1 PHE 4 2.862 11.667 -1.959 31 HE2 PHE 4 HE2 PHE 4 1.740 12.913 -5.859 32 HZ PHE 4 HZ PHE 4 3.441 12.082 -4.287 33 H CYS 5 H CYS 5 -4.388 10.943 -3.879 34 HA CYS 5 HA CYS 5 -6.162 12.590 -2.323 35 1HB CYS 5 1HB CYS 5 -6.732 10.803 -4.695 36 2HB CYS 5 2HB CYS 5 -7.840 11.982 -4.001 37 HG CYS 5 HG CYS 5 -6.663 14.174 -4.898 38 H LEU 6 H LEU 6 -6.309 11.595 -0.362 39 HA LEU 6 HA LEU 6 -6.889 8.799 -0.254 40 1HB LEU 6 1HB LEU 6 -6.902 9.136 2.259 41 2HB LEU 6 2HB LEU 6 -5.365 9.212 1.431 42 HG LEU 6 HG LEU 6 -5.449 10.683 3.283 43 1HD1 LEU 6 1HD1 LEU 6 -4.141 11.535 1.496 44 2HD1 LEU 6 2HD1 LEU 6 -4.886 12.840 2.404 45 3HD1 LEU 6 3HD1 LEU 6 -5.531 12.400 0.832 46 1HD2 LEU 6 1HD2 LEU 6 -6.992 12.606 3.477 47 2HD2 LEU 6 2HD2 LEU 6 -7.813 11.051 3.568 48 3HD2 LEU 6 3HD2 LEU 6 -7.880 11.997 2.083 49 H GLU 7 H GLU 7 -8.661 11.725 0.218 50 HA GLU 7 HA GLU 7 -10.815 10.313 1.471 51 1HB GLU 7 1HB GLU 7 -10.347 12.507 2.315 52 2HB GLU 7 2HB GLU 7 -10.394 13.203 0.716 53 1HG GLU 7 1HG GLU 7 -12.900 11.998 1.733 54 2HG GLU 7 2HG GLU 7 -12.340 13.484 2.501 55 H THR 8 H THR 8 -9.829 10.970 -1.600 56 HA THR 8 HA THR 8 -12.285 10.981 -2.992 57 HB THR 8 HB THR 8 -9.553 10.093 -3.906 58 HG1 THR 8 HG1 THR 8 -10.748 12.617 -3.489 59 1HG2 THR 8 1HG2 THR 8 -11.385 9.647 -5.504 60 2HG2 THR 8 2HG2 THR 8 -10.307 10.911 -6.099 61 3HG2 THR 8 3HG2 THR 8 -11.869 11.340 -5.399 62 H TYR 9 H TYR 9 -10.382 8.521 -1.446 63 HA TYR 9 HA TYR 9 -11.482 6.477 -3.055 64 1HB TYR 9 1HB TYR 9 -9.560 6.472 -0.799 65 2HB TYR 9 2HB TYR 9 -10.312 4.966 -1.320 66 HD1 TYR 9 HD1 TYR 9 -10.280 4.543 -3.902 67 HD2 TYR 9 HD2 TYR 9 -7.643 7.193 -1.896 68 HE1 TYR 9 HE1 TYR 9 -8.741 4.439 -5.813 69 HE2 TYR 9 HE2 TYR 9 -6.100 7.102 -3.790 70 HH TYR 9 HH TYR 9 -5.580 5.520 -5.626 71 H LEU 10 H LEU 10 -12.465 8.077 -0.252 72 HA LEU 10 HA LEU 10 -14.175 5.999 0.686 73 1HB LEU 10 1HB LEU 10 -13.440 8.106 1.968 74 2HB LEU 10 2HB LEU 10 -14.590 8.990 0.998 75 HG LEU 10 HG LEU 10 -15.366 6.747 2.878 76 1HD1 LEU 10 1HD1 LEU 10 -14.340 8.555 4.141 77 2HD1 LEU 10 2HD1 LEU 10 -16.080 8.523 4.424 78 3HD1 LEU 10 3HD1 LEU 10 -15.384 9.730 3.342 79 1HD2 LEU 10 1HD2 LEU 10 -17.615 7.726 2.747 80 2HD2 LEU 10 2HD2 LEU 10 -17.047 7.239 1.150 81 3HD2 LEU 10 3HD2 LEU 10 -17.026 8.940 1.613 82 H GLN 11 H GLN 11 -14.279 8.627 -1.563 83 HA GLN 11 HA GLN 11 -17.042 8.630 -2.168 84 1HB GLN 11 1HB GLN 11 -14.739 9.544 -3.897 85 2HB GLN 11 2HB GLN 11 -16.414 10.036 -4.063 86 1HG GLN 11 1HG GLN 11 -14.497 10.730 -1.847 87 2HG GLN 11 2HG GLN 11 -15.170 11.812 -3.058 88 1HE2 GLN 11 1HE2 GLN 11 -15.232 12.036 -0.230 89 2HE2 GLN 11 2HE2 GLN 11 -16.887 12.068 0.269 90 H GLN 12 H GLN 12 -14.271 6.901 -3.269 91 HA GLN 12 HA GLN 12 -15.760 5.750 -5.453 92 1HB GLN 12 1HB GLN 12 -12.863 5.406 -4.703 93 2HB GLN 12 2HB GLN 12 -13.600 4.719 -6.136 94 1HG GLN 12 1HG GLN 12 -13.307 7.646 -5.504 95 2HG GLN 12 2HG GLN 12 -12.366 6.731 -6.674 96 1HE2 GLN 12 1HE2 GLN 12 -14.667 5.245 -7.732 97 2HE2 GLN 12 2HE2 GLN 12 -15.568 6.396 -8.639 98 H SER 13 H SER 13 -15.359 5.093 -2.271 99 HA SER 13 HA SER 13 -15.734 3.405 -0.945 100 1HB SER 13 1HB SER 13 -17.044 2.170 -3.384 101 2HB SER 13 2HB SER 13 -17.278 1.612 -1.724 102 HG SER 13 HG SER 13 -18.229 3.534 -1.212 103 H GLY 14 H GLY 14 -13.241 3.520 -1.922 104 1HA GLY 14 1HA GLY 14 -12.410 0.731 -1.930 105 2HA GLY 14 2HA GLY 14 -11.865 1.756 -3.259 106 H GLU 15 H GLU 15 -12.313 2.321 0.166 107 HA GLU 15 HA GLU 15 -10.141 3.968 0.537 108 1HB GLU 15 1HB GLU 15 -11.571 2.172 2.502 109 2HB GLU 15 2HB GLU 15 -10.477 3.474 2.956 110 1HG GLU 15 1HG GLU 15 -11.944 5.118 2.030 111 2HG GLU 15 2HG GLU 15 -12.971 3.874 1.324 112 H TYR 16 H TYR 16 -8.075 3.632 1.148 113 HA TYR 16 HA TYR 16 -7.020 0.912 1.533 114 1HB TYR 16 1HB TYR 16 -7.016 1.486 -0.920 115 2HB TYR 16 2HB TYR 16 -6.037 2.887 -0.558 116 HD1 TYR 16 HD1 TYR 16 -5.951 -0.838 -0.100 117 HD2 TYR 16 HD2 TYR 16 -3.767 2.707 -0.964 118 HE1 TYR 16 HE1 TYR 16 -3.955 -2.190 -0.598 119 HE2 TYR 16 HE2 TYR 16 -1.762 1.370 -1.450 120 HH TYR 16 HH TYR 16 -0.814 -0.744 -1.129 121 H GLU 17 H GLU 17 -7.529 3.461 2.970 122 HA GLU 17 HA GLU 17 -4.998 3.752 4.271 123 1HB GLU 17 1HB GLU 17 -4.863 6.140 4.058 124 2HB GLU 17 2HB GLU 17 -4.808 5.332 2.514 125 1HG GLU 17 1HG GLU 17 -7.369 6.519 3.530 126 2HG GLU 17 2HG GLU 17 -6.139 7.501 2.733 127 H ILE 18 H ILE 18 -5.373 5.638 5.990 128 HA ILE 18 HA ILE 18 -7.903 5.001 6.722 129 HB ILE 18 HB ILE 18 -6.448 4.075 8.406 130 1HG1 ILE 18 1HG1 ILE 18 -8.047 6.300 9.713 131 2HG1 ILE 18 2HG1 ILE 18 -8.676 4.727 9.252 132 1HG2 ILE 18 1HG2 ILE 18 -5.189 5.489 9.998 133 2HG2 ILE 18 2HG2 ILE 18 -5.488 6.867 8.922 134 3HG2 ILE 18 3HG2 ILE 18 -4.601 5.443 8.349 135 1HD1 ILE 18 1HD1 ILE 18 -7.235 3.662 10.910 136 2HD1 ILE 18 2HD1 ILE 18 -8.260 4.889 11.651 137 3HD1 ILE 18 3HD1 ILE 18 -6.560 5.233 11.336 138 H HIS 19 H HIS 19 -7.473 7.089 5.093 139 HA HIS 19 HA HIS 19 -8.032 9.190 4.502 140 1HB HIS 19 1HB HIS 19 -9.780 8.813 6.879 141 2HB HIS 19 2HB HIS 19 -9.735 10.378 6.071 142 HD1 HIS 19 HD1 HIS 19 -10.919 6.846 5.592 143 HD2 HIS 19 HD2 HIS 19 -10.763 10.446 3.543 144 HE1 HIS 19 HE1 HIS 19 -12.403 6.578 3.611 145 H MET 20 H MET 20 -5.885 8.758 6.415 146 HA MET 20 HA MET 20 -5.625 11.357 7.625 147 1HB MET 20 1HB MET 20 -4.299 8.777 7.754 148 2HB MET 20 2HB MET 20 -3.224 10.114 8.142 149 1HG MET 20 1HG MET 20 -5.808 9.265 9.465 150 2HG MET 20 2HG MET 20 -4.185 9.188 10.150 151 1HE MET 20 1HE MET 20 -2.797 11.307 10.941 152 2HE MET 20 2HE MET 20 -3.351 12.969 10.751 153 3HE MET 20 3HE MET 20 -2.944 12.010 9.329 154 H LYS 21 H LYS 21 -2.634 10.330 6.476 155 HA LYS 21 HA LYS 21 -2.885 12.094 4.141 156 1HB LYS 21 1HB LYS 21 -1.766 13.257 5.997 157 2HB LYS 21 2HB LYS 21 -0.620 11.939 6.141 158 1HG LYS 21 1HG LYS 21 0.334 12.461 4.018 159 2HG LYS 21 2HG LYS 21 -0.904 13.685 3.717 160 1HD LYS 21 1HD LYS 21 -0.122 14.985 5.588 161 2HD LYS 21 2HD LYS 21 1.044 13.735 6.008 162 1HE LYS 21 1HE LYS 21 2.139 15.558 4.832 163 2HE LYS 21 2HE LYS 21 2.177 14.089 3.868 164 1HZ LYS 21 1HZ LYS 21 1.682 15.931 2.534 165 2HZ LYS 21 2HZ LYS 21 0.363 16.402 3.481 166 3HZ LYS 21 3HZ LYS 21 0.302 14.962 2.577 167 H ARG 22 H ARG 22 -2.444 10.908 2.329 168 HA ARG 22 HA ARG 22 -0.857 8.486 2.743 169 1HB ARG 22 1HB ARG 22 -2.252 7.354 1.120 170 2HB ARG 22 2HB ARG 22 -3.304 8.368 2.043 171 1HG ARG 22 1HG ARG 22 -3.549 9.929 0.326 172 2HG ARG 22 2HG ARG 22 -2.178 9.263 -0.562 173 1HD ARG 22 1HD ARG 22 -4.779 7.836 -0.035 174 2HD ARG 22 2HD ARG 22 -4.299 8.620 -1.541 175 HE ARG 22 HE ARG 22 -2.269 6.917 -1.209 176 1HH1 ARG 22 1HH1 ARG 22 -5.700 6.118 -0.659 177 2HH1 ARG 22 2HH1 ARG 22 -5.578 4.608 -1.375 178 1HH2 ARG 22 1HH2 ARG 22 -2.125 4.954 -2.099 179 2HH2 ARG 22 2HH2 ARG 22 -3.454 3.880 -2.322 180 H ALA 23 H ALA 23 0.458 7.817 0.772 181 HA ALA 23 HA ALA 23 1.043 9.905 -1.154 182 1HB ALA 23 1HB ALA 23 2.376 10.683 0.704 183 2HB ALA 23 2HB ALA 23 3.437 10.119 -0.596 184 3HB ALA 23 3HB ALA 23 3.161 9.115 0.826 185 H GLY 24 H GLY 24 0.500 8.279 -2.694 186 1HA GLY 24 1HA GLY 24 2.237 5.924 -2.858 187 2HA GLY 24 2HA GLY 24 0.675 6.131 -3.622 188 H PHE 25 H PHE 25 3.999 7.036 -3.693 189 HA PHE 25 HA PHE 25 3.847 8.343 -6.276 190 1HB PHE 25 1HB PHE 25 6.132 7.393 -4.588 191 2HB PHE 25 2HB PHE 25 6.381 8.198 -6.123 192 HD1 PHE 25 HD1 PHE 25 6.065 10.583 -6.300 193 HD2 PHE 25 HD2 PHE 25 5.326 8.585 -2.627 194 HE1 PHE 25 HE1 PHE 25 6.081 12.743 -5.132 195 HE2 PHE 25 HE2 PHE 25 5.337 10.743 -1.447 196 HZ PHE 25 HZ PHE 25 5.720 12.826 -2.697 197 H ARG 26 H ARG 26 4.883 5.255 -5.087 198 HA ARG 26 HA ARG 26 5.413 4.441 -7.872 199 1HB ARG 26 1HB ARG 26 6.361 3.346 -5.257 200 2HB ARG 26 2HB ARG 26 6.533 2.464 -6.756 201 1HG ARG 26 1HG ARG 26 7.667 5.208 -6.312 202 2HG ARG 26 2HG ARG 26 8.556 3.706 -6.018 203 1HD ARG 26 1HD ARG 26 8.135 3.035 -8.310 204 2HD ARG 26 2HD ARG 26 7.323 4.571 -8.608 205 HE ARG 26 HE ARG 26 9.947 4.939 -7.591 206 1HH1 ARG 26 1HH1 ARG 26 8.162 4.182 -10.531 207 2HH1 ARG 26 2HH1 ARG 26 9.364 4.694 -11.619 208 1HH2 ARG 26 1HH2 ARG 26 11.650 5.608 -9.019 209 2HH2 ARG 26 2HH2 ARG 26 11.442 5.576 -10.711 210 H GLU 27 H GLU 27 3.757 3.531 -4.953 211 HA GLU 27 HA GLU 27 2.756 1.128 -6.099 212 1HB GLU 27 1HB GLU 27 3.404 1.581 -3.683 213 2HB GLU 27 2HB GLU 27 1.859 2.406 -3.580 214 1HG GLU 27 1HG GLU 27 0.685 0.408 -4.037 215 2HG GLU 27 2HG GLU 27 2.192 -0.452 -4.378 216 H CYS 28 H CYS 28 1.871 4.329 -6.567 217 HA CYS 28 HA CYS 28 -0.822 4.470 -6.471 218 1HB CYS 28 1HB CYS 28 0.538 6.311 -7.200 219 2HB CYS 28 2HB CYS 28 1.060 5.422 -8.623 220 HG CYS 28 HG CYS 28 -2.047 6.624 -7.981 221 H ALA 29 H ALA 29 1.223 3.040 -9.028 222 HA ALA 29 HA ALA 29 -0.946 2.269 -10.710 223 1HB ALA 29 1HB ALA 29 1.311 2.681 -11.590 224 2HB ALA 29 2HB ALA 29 0.732 1.064 -11.998 225 3HB ALA 29 3HB ALA 29 1.899 1.283 -10.692 226 H ALA 30 H ALA 30 0.922 0.682 -8.277 227 HA ALA 30 HA ALA 30 0.118 -1.926 -8.596 228 1HB ALA 30 1HB ALA 30 0.786 -2.234 -6.325 229 2HB ALA 30 2HB ALA 30 0.697 -0.495 -6.042 230 3HB ALA 30 3HB ALA 30 1.911 -1.147 -7.142 231 H MET 31 H MET 31 -1.348 0.656 -6.702 232 HA MET 31 HA MET 31 -3.260 -1.089 -5.516 233 1HB MET 31 1HB MET 31 -4.418 0.782 -4.620 234 2HB MET 31 2HB MET 31 -2.700 1.097 -4.480 235 1HG MET 31 1HG MET 31 -2.798 2.630 -6.347 236 2HG MET 31 2HG MET 31 -4.496 2.249 -6.608 237 1HE MET 31 1HE MET 31 -6.110 3.632 -3.280 238 2HE MET 31 2HE MET 31 -5.406 2.031 -3.406 239 3HE MET 31 3HE MET 31 -6.378 2.674 -4.735 240 H ILE 32 H ILE 32 -3.290 0.727 -8.447 241 HA ILE 32 HA ILE 32 -6.016 0.495 -9.075 242 HB ILE 32 HB ILE 32 -3.592 0.599 -10.894 243 1HG1 ILE 32 1HG1 ILE 32 -5.389 2.836 -9.913 244 2HG1 ILE 32 2HG1 ILE 32 -3.759 2.511 -9.342 245 1HG2 ILE 32 1HG2 ILE 32 -5.152 1.439 -12.624 246 2HG2 ILE 32 2HG2 ILE 32 -6.500 1.204 -11.514 247 3HG2 ILE 32 3HG2 ILE 32 -5.589 -0.189 -12.099 248 1HD1 ILE 32 1HD1 ILE 32 -4.529 3.339 -12.133 249 2HD1 ILE 32 2HD1 ILE 32 -2.889 3.012 -11.576 250 3HD1 ILE 32 3HD1 ILE 32 -3.794 4.368 -10.904 251 H GLU 33 H GLU 33 -3.240 -1.604 -9.500 252 HA GLU 33 HA GLU 33 -4.637 -3.533 -11.073 253 1HB GLU 33 1HB GLU 33 -2.009 -3.818 -9.615 254 2HB GLU 33 2HB GLU 33 -2.593 -4.780 -10.973 255 1HG GLU 33 1HG GLU 33 -2.491 -2.813 -12.408 256 2HG GLU 33 2HG GLU 33 -1.888 -1.858 -11.057 257 H LYS 34 H LYS 34 -3.709 -3.106 -7.714 258 HA LYS 34 HA LYS 34 -4.339 -5.662 -6.725 259 1HB LYS 34 1HB LYS 34 -4.171 -2.971 -5.418 260 2HB LYS 34 2HB LYS 34 -4.581 -4.411 -4.507 261 1HG LYS 34 1HG LYS 34 -2.528 -5.325 -4.725 262 2HG LYS 34 2HG LYS 34 -2.082 -4.390 -6.159 263 1HD LYS 34 1HD LYS 34 -2.008 -2.368 -4.760 264 2HD LYS 34 2HD LYS 34 -2.443 -3.349 -3.349 265 1HE LYS 34 1HE LYS 34 -0.340 -4.572 -3.631 266 2HE LYS 34 2HE LYS 34 0.056 -3.547 -5.010 267 1HZ LYS 34 1HZ LYS 34 -0.491 -2.460 -2.288 268 2HZ LYS 34 2HZ LYS 34 0.099 -1.615 -3.554 269 3HZ LYS 34 3HZ LYS 34 1.045 -2.784 -2.834 270 H LYS 35 H LYS 35 -6.276 -3.061 -7.653 271 HA LYS 35 HA LYS 35 -8.586 -3.520 -6.102 272 1HB LYS 35 1HB LYS 35 -8.192 -1.411 -7.219 273 2HB LYS 35 2HB LYS 35 -8.176 -2.201 -8.785 274 1HG LYS 35 1HG LYS 35 -10.535 -2.770 -8.510 275 2HG LYS 35 2HG LYS 35 -10.540 -1.951 -6.946 276 1HD LYS 35 1HD LYS 35 -9.995 0.144 -8.013 277 2HD LYS 35 2HD LYS 35 -9.867 -0.678 -9.575 278 1HE LYS 35 1HE LYS 35 -12.176 -1.252 -9.539 279 2HE LYS 35 2HE LYS 35 -12.356 -0.630 -7.903 280 1HZ LYS 35 1HZ LYS 35 -11.682 1.029 -10.288 281 2HZ LYS 35 2HZ LYS 35 -11.954 1.588 -8.714 282 3HZ LYS 35 3HZ LYS 35 -13.213 0.889 -9.581 283 H ALA 36 H ALA 36 -7.200 -5.162 -8.797 284 HA ALA 36 HA ALA 36 -9.533 -6.188 -9.931 285 1HB ALA 36 1HB ALA 36 -6.740 -7.358 -9.924 286 2HB ALA 36 2HB ALA 36 -7.394 -6.249 -11.126 287 3HB ALA 36 3HB ALA 36 -8.049 -7.882 -10.982 288 H ARG 37 H ARG 37 -7.104 -7.726 -7.900 289 HA ARG 37 HA ARG 37 -8.962 -8.902 -6.098 290 1HB ARG 37 1HB ARG 37 -7.594 -10.676 -8.095 291 2HB ARG 37 2HB ARG 37 -7.916 -11.267 -6.480 292 1HG ARG 37 1HG ARG 37 -9.996 -10.296 -8.440 293 2HG ARG 37 2HG ARG 37 -9.607 -11.984 -8.106 294 1HD ARG 37 1HD ARG 37 -11.551 -11.480 -6.832 295 2HD ARG 37 2HD ARG 37 -10.198 -11.528 -5.706 296 HE ARG 37 HE ARG 37 -11.105 -8.971 -6.789 297 1HH1 ARG 37 1HH1 ARG 37 -10.610 -11.039 -3.966 298 2HH1 ARG 37 2HH1 ARG 37 -11.058 -9.862 -2.823 299 1HH2 ARG 37 1HH2 ARG 37 -11.715 -7.346 -5.236 300 2HH2 ARG 37 2HH2 ARG 37 -11.724 -7.696 -3.571 301 H ARG 38 H ARG 38 -5.732 -9.709 -7.275 302 HA ARG 38 HA ARG 38 -4.538 -8.518 -4.962 303 1HB ARG 38 1HB ARG 38 -3.444 -10.537 -4.116 304 2HB ARG 38 2HB ARG 38 -5.191 -10.731 -4.101 305 1HG ARG 38 1HG ARG 38 -5.122 -12.195 -5.963 306 2HG ARG 38 2HG ARG 38 -3.385 -11.917 -6.171 307 1HD ARG 38 1HD ARG 38 -3.005 -12.780 -3.906 308 2HD ARG 38 2HD ARG 38 -4.724 -13.120 -3.761 309 HE ARG 38 HE ARG 38 -4.339 -14.589 -5.764 310 1HH1 ARG 38 1HH1 ARG 38 -1.701 -13.945 -3.458 311 2HH1 ARG 38 2HH1 ARG 38 -1.084 -15.516 -3.524 312 1HH2 ARG 38 1HH2 ARG 38 -3.435 -16.747 -5.862 313 2HH2 ARG 38 2HH2 ARG 38 -2.086 -17.145 -4.916 314 H VAL 39 H VAL 39 -2.737 -7.573 -5.644 315 HA VAL 39 HA VAL 39 -1.279 -8.839 -7.820 316 HB VAL 39 HB VAL 39 -2.268 -5.978 -7.877 317 1HG1 VAL 39 1HG1 VAL 39 0.065 -6.046 -8.681 318 2HG1 VAL 39 2HG1 VAL 39 -1.024 -5.751 -10.036 319 3HG1 VAL 39 3HG1 VAL 39 -0.345 -7.357 -9.782 320 1HG2 VAL 39 1HG2 VAL 39 -2.703 -8.272 -9.794 321 2HG2 VAL 39 2HG2 VAL 39 -3.296 -6.626 -10.021 322 3HG2 VAL 39 3HG2 VAL 39 -3.891 -7.601 -8.679 323 H VAL 40 H VAL 40 0.829 -8.427 -7.879 324 HA VAL 40 HA VAL 40 1.945 -6.987 -5.625 325 HB VAL 40 HB VAL 40 2.560 -9.378 -5.612 326 1HG1 VAL 40 1HG1 VAL 40 3.856 -10.397 -7.435 327 2HG1 VAL 40 2HG1 VAL 40 3.587 -8.946 -8.404 328 3HG1 VAL 40 3HG1 VAL 40 2.223 -9.944 -7.916 329 1HG2 VAL 40 1HG2 VAL 40 4.283 -7.833 -4.848 330 2HG2 VAL 40 2HG2 VAL 40 4.876 -7.663 -6.498 331 3HG2 VAL 40 3HG2 VAL 40 5.009 -9.218 -5.672 332 H HIS 41 H HIS 41 3.615 -5.459 -6.096 333 HA HIS 41 HA HIS 41 4.079 -4.904 -8.925 334 1HB HIS 41 1HB HIS 41 2.179 -3.544 -7.925 335 2HB HIS 41 2HB HIS 41 3.349 -2.858 -6.821 336 HD1 HIS 41 HD1 HIS 41 1.943 -2.453 -10.312 337 HD2 HIS 41 HD2 HIS 41 5.036 -0.891 -7.969 338 HE1 HIS 41 HE1 HIS 41 2.856 -0.510 -11.535 339 H ILE 42 H ILE 42 6.198 -4.489 -9.249 340 HA ILE 42 HA ILE 42 7.962 -4.647 -6.970 341 HB ILE 42 HB ILE 42 8.447 -5.937 -9.077 342 1HG1 ILE 42 1HG1 ILE 42 10.580 -3.907 -8.348 343 2HG1 ILE 42 2HG1 ILE 42 10.267 -5.413 -7.499 344 1HG2 ILE 42 1HG2 ILE 42 9.013 -3.234 -10.294 345 2HG2 ILE 42 2HG2 ILE 42 7.689 -4.307 -10.729 346 3HG2 ILE 42 3HG2 ILE 42 9.355 -4.790 -11.050 347 1HD1 ILE 42 1HD1 ILE 42 11.242 -5.151 -10.338 348 2HD1 ILE 42 2HD1 ILE 42 10.926 -6.667 -9.497 349 3HD1 ILE 42 3HD1 ILE 42 12.216 -5.602 -8.939 350 H LYS 43 H LYS 43 9.381 -3.042 -6.300 351 HA LYS 43 HA LYS 43 10.087 -0.966 -5.815 352 1HB LYS 43 1HB LYS 43 9.291 -0.219 -8.654 353 2HB LYS 43 2HB LYS 43 10.266 0.770 -7.583 354 1HG LYS 43 1HG LYS 43 11.984 -0.964 -7.581 355 2HG LYS 43 2HG LYS 43 11.008 -1.923 -8.694 356 1HD LYS 43 1HD LYS 43 11.149 -0.098 -10.346 357 2HD LYS 43 2HD LYS 43 12.164 0.813 -9.225 358 1HE LYS 43 1HE LYS 43 13.790 -1.054 -9.241 359 2HE LYS 43 2HE LYS 43 12.794 -1.874 -10.435 360 1HZ LYS 43 1HZ LYS 43 14.116 0.759 -10.822 361 2HZ LYS 43 2HZ LYS 43 13.200 -0.077 -11.981 362 3HZ LYS 43 3HZ LYS 43 14.644 -0.712 -11.425 363 HA PRO 44 HA PRO 44 5.729 0.452 -5.210 364 1HB PRO 44 1HB PRO 44 5.316 -0.228 -2.662 365 2HB PRO 44 2HB PRO 44 5.171 -1.438 -3.951 366 1HG PRO 44 1HG PRO 44 7.541 -0.849 -2.200 367 2HG PRO 44 2HG PRO 44 6.786 -2.423 -2.484 368 1HD PRO 44 1HD PRO 44 8.947 -1.668 -3.851 369 2HD PRO 44 2HD PRO 44 7.645 -2.589 -4.623 370 H GLY 45 H GLY 45 4.995 2.120 -3.542 371 1HA GLY 45 1HA GLY 45 6.822 3.285 -1.786 372 2HA GLY 45 2HA GLY 45 6.806 4.160 -3.313 373 H GLU 46 H GLU 46 4.270 2.583 -1.341 374 HA GLU 46 HA GLU 46 2.955 5.178 -1.328 375 1HB GLU 46 1HB GLU 46 1.454 3.840 -2.453 376 2HB GLU 46 2HB GLU 46 1.747 2.414 -1.471 377 1HG GLU 46 1HG GLU 46 -0.440 3.227 -1.041 378 2HG GLU 46 2HG GLU 46 0.546 3.617 0.362 379 H LYS 47 H LYS 47 2.853 6.155 0.311 380 HA LYS 47 HA LYS 47 3.485 4.827 2.808 381 1HB LYS 47 1HB LYS 47 4.003 7.608 1.877 382 2HB LYS 47 2HB LYS 47 4.383 6.964 3.474 383 1HG LYS 47 1HG LYS 47 5.990 5.562 2.709 384 2HG LYS 47 2HG LYS 47 5.359 5.560 1.061 385 1HD LYS 47 1HD LYS 47 6.377 7.966 2.373 386 2HD LYS 47 2HD LYS 47 7.464 6.833 1.500 387 1HE LYS 47 1HE LYS 47 6.054 7.232 -0.515 388 2HE LYS 47 2HE LYS 47 5.095 8.387 0.404 389 1HZ LYS 47 1HZ LYS 47 6.765 9.550 -0.889 390 2HZ LYS 47 2HZ LYS 47 7.948 8.584 -0.283 391 3HZ LYS 47 3HZ LYS 47 7.143 9.663 0.766 392 H ILE 48 H ILE 48 1.474 4.424 2.573 393 HA ILE 48 HA ILE 48 -0.554 6.369 2.869 394 HB ILE 48 HB ILE 48 -1.963 4.474 3.833 395 1HG1 ILE 48 1HG1 ILE 48 0.218 2.794 2.568 396 2HG1 ILE 48 2HG1 ILE 48 -0.179 2.858 4.277 397 1HG2 ILE 48 1HG2 ILE 48 -1.252 4.568 0.963 398 2HG2 ILE 48 2HG2 ILE 48 -2.557 5.389 1.819 399 3HG2 ILE 48 3HG2 ILE 48 -2.594 3.639 1.625 400 1HD1 ILE 48 1HD1 ILE 48 -2.355 1.857 3.809 401 2HD1 ILE 48 2HD1 ILE 48 -1.039 0.838 3.224 402 3HD1 ILE 48 3HD1 ILE 48 -1.969 1.820 2.090 403 H LEU 49 H LEU 49 -0.282 7.661 4.426 404 HA LEU 49 HA LEU 49 -0.610 8.607 6.387 405 1HB LEU 49 1HB LEU 49 -1.172 5.966 7.727 406 2HB LEU 49 2HB LEU 49 -1.702 7.548 8.232 407 HG LEU 49 HG LEU 49 -3.655 6.809 7.455 408 1HD1 LEU 49 1HD1 LEU 49 -2.637 7.504 4.753 409 2HD1 LEU 49 2HD1 LEU 49 -3.160 8.633 5.986 410 3HD1 LEU 49 3HD1 LEU 49 -4.318 7.494 5.316 411 1HD2 LEU 49 1HD2 LEU 49 -3.899 5.036 5.639 412 2HD2 LEU 49 2HD2 LEU 49 -3.097 4.562 7.129 413 3HD2 LEU 49 3HD2 LEU 49 -2.138 4.922 5.706 414 H GLY 50 H GLY 50 1.493 5.979 6.178 415 1HA GLY 50 1HA GLY 50 3.755 6.064 6.938 416 2HA GLY 50 2HA GLY 50 3.229 7.084 8.289 417 H ALA 51 H ALA 51 0.847 5.057 7.872 418 HA ALA 51 HA ALA 51 1.791 2.808 9.451 419 1HB ALA 51 1HB ALA 51 -0.617 4.549 10.051 420 2HB ALA 51 2HB ALA 51 0.826 4.411 11.052 421 3HB ALA 51 3HB ALA 51 -0.249 3.024 10.854 422 H ARG 52 H ARG 52 1.213 1.122 8.260 423 HA ARG 52 HA ARG 52 -0.459 1.394 5.980 424 1HB ARG 52 1HB ARG 52 1.500 -0.052 5.997 425 2HB ARG 52 2HB ARG 52 0.792 -1.036 7.258 426 1HG ARG 52 1HG ARG 52 -0.970 -1.745 5.690 427 2HG ARG 52 2HG ARG 52 -0.207 -0.773 4.425 428 1HD ARG 52 1HD ARG 52 0.447 -3.155 4.293 429 2HD ARG 52 2HD ARG 52 1.829 -2.099 4.598 430 HE ARG 52 HE ARG 52 0.657 -3.062 6.996 431 1HH1 ARG 52 1HH1 ARG 52 2.899 -4.095 4.420 432 2HH1 ARG 52 2HH1 ARG 52 3.767 -5.166 5.387 433 1HH2 ARG 52 1HH2 ARG 52 1.813 -4.519 8.322 434 2HH2 ARG 52 2HH2 ARG 52 3.146 -5.402 7.741 435 H ILE 53 H ILE 53 -2.542 2.026 6.755 436 HA ILE 53 HA ILE 53 -4.069 -0.160 7.944 437 HB ILE 53 HB ILE 53 -4.570 2.829 8.166 438 1HG1 ILE 53 1HG1 ILE 53 -2.611 2.235 9.522 439 2HG1 ILE 53 2HG1 ILE 53 -3.974 2.647 10.554 440 1HG2 ILE 53 1HG2 ILE 53 -5.959 0.499 9.491 441 2HG2 ILE 53 2HG2 ILE 53 -6.624 1.546 8.236 442 3HG2 ILE 53 3HG2 ILE 53 -6.279 2.197 9.836 443 1HD1 ILE 53 1HD1 ILE 53 -2.754 0.751 11.432 444 2HD1 ILE 53 2HD1 ILE 53 -2.984 -0.128 9.923 445 3HD1 ILE 53 3HD1 ILE 53 -4.374 0.257 10.940 446 H ILE 54 H ILE 54 -5.637 -0.841 6.577 447 HA ILE 54 HA ILE 54 -6.004 0.423 3.991 448 HB ILE 54 HB ILE 54 -7.590 -1.858 5.246 449 1HG1 ILE 54 1HG1 ILE 54 -5.167 -1.998 3.426 450 2HG1 ILE 54 2HG1 ILE 54 -5.165 -2.360 5.146 451 1HG2 ILE 54 1HG2 ILE 54 -8.717 -0.838 3.318 452 2HG2 ILE 54 2HG2 ILE 54 -8.170 -2.472 2.944 453 3HG2 ILE 54 3HG2 ILE 54 -7.269 -1.083 2.337 454 1HD1 ILE 54 1HD1 ILE 54 -5.180 -4.391 3.805 455 2HD1 ILE 54 2HD1 ILE 54 -6.672 -3.874 3.017 456 3HD1 ILE 54 3HD1 ILE 54 -6.669 -4.250 4.740 457 H GLY 55 H GLY 55 -7.647 0.365 7.006 458 1HA GLY 55 1HA GLY 55 -9.077 2.122 7.760 459 2HA GLY 55 2HA GLY 55 -9.345 2.562 6.074 460 H ILE 56 H ILE 56 -9.751 -0.215 5.409 461 HA ILE 56 HA ILE 56 -12.540 -0.461 6.207 462 HB ILE 56 HB ILE 56 -10.979 -1.983 4.093 463 1HG1 ILE 56 1HG1 ILE 56 -12.835 0.382 3.718 464 2HG1 ILE 56 2HG1 ILE 56 -11.086 0.404 3.533 465 1HG2 ILE 56 1HG2 ILE 56 -13.950 -1.728 4.552 466 2HG2 ILE 56 2HG2 ILE 56 -12.958 -3.131 4.934 467 3HG2 ILE 56 3HG2 ILE 56 -13.180 -2.646 3.252 468 1HD1 ILE 56 1HD1 ILE 56 -13.022 -1.170 1.847 469 2HD1 ILE 56 2HD1 ILE 56 -11.269 -1.154 1.654 470 3HD1 ILE 56 3HD1 ILE 56 -12.201 0.317 1.372 471 HA PRO 57 HA PRO 57 -10.866 -3.645 9.007 472 1HB PRO 57 1HB PRO 57 -13.710 -4.397 9.314 473 2HB PRO 57 2HB PRO 57 -12.548 -3.905 10.548 474 1HG PRO 57 1HG PRO 57 -14.531 -2.281 9.789 475 2HG PRO 57 2HG PRO 57 -12.925 -1.651 10.196 476 1HD PRO 57 1HD PRO 57 -14.142 -2.123 7.496 477 2HD PRO 57 2HD PRO 57 -13.156 -0.764 8.084 478 HA PRO 58 HA PRO 58 -11.589 -6.927 5.953 479 1HB PRO 58 1HB PRO 58 -9.077 -7.476 5.452 480 2HB PRO 58 2HB PRO 58 -9.744 -5.916 4.958 481 1HG PRO 58 1HG PRO 58 -7.860 -6.534 7.175 482 2HG PRO 58 2HG PRO 58 -8.027 -5.050 6.223 483 1HD PRO 58 1HD PRO 58 -9.174 -5.643 8.803 484 2HD PRO 58 2HD PRO 58 -9.321 -4.155 7.841 485 H VAL 59 H VAL 59 -10.681 -9.188 5.865 486 HA VAL 59 HA VAL 59 -10.542 -10.338 8.526 487 HB VAL 59 HB VAL 59 -10.205 -11.737 5.838 488 1HG1 VAL 59 1HG1 VAL 59 -10.882 -12.864 8.555 489 2HG1 VAL 59 2HG1 VAL 59 -9.325 -12.991 7.743 490 3HG1 VAL 59 3HG1 VAL 59 -10.739 -13.789 7.059 491 1HG2 VAL 59 1HG2 VAL 59 -12.551 -12.415 6.028 492 2HG2 VAL 59 2HG2 VAL 59 -12.402 -10.656 5.960 493 3HG2 VAL 59 3HG2 VAL 59 -12.712 -11.461 7.499 494 HA PRO 60 HA PRO 60 -6.248 -9.459 7.921 495 1HB PRO 60 1HB PRO 60 -5.473 -9.321 10.467 496 2HB PRO 60 2HB PRO 60 -6.503 -8.094 9.731 497 1HG PRO 60 1HG PRO 60 -7.231 -10.274 11.617 498 2HG PRO 60 2HG PRO 60 -7.931 -8.656 11.447 499 1HD PRO 60 1HD PRO 60 -8.968 -11.065 10.385 500 2HD PRO 60 2HD PRO 60 -9.492 -9.411 10.006 501 H ILE 61 H ILE 61 -5.445 -11.257 6.921 502 HA ILE 61 HA ILE 61 -4.143 -13.224 8.659 503 HB ILE 61 HB ILE 61 -5.311 -13.715 5.877 504 1HG1 ILE 61 1HG1 ILE 61 -6.418 -14.726 8.503 505 2HG1 ILE 61 2HG1 ILE 61 -7.092 -13.379 7.591 506 1HG2 ILE 61 1HG2 ILE 61 -4.875 -16.098 6.345 507 2HG2 ILE 61 2HG2 ILE 61 -4.186 -15.658 7.907 508 3HG2 ILE 61 3HG2 ILE 61 -3.394 -15.142 6.419 509 1HD1 ILE 61 1HD1 ILE 61 -8.344 -15.421 7.237 510 2HD1 ILE 61 2HD1 ILE 61 -6.886 -16.229 6.651 511 3HD1 ILE 61 3HD1 ILE 61 -7.581 -14.885 5.741 512 H GLY 62 H GLY 62 -2.016 -13.837 7.574 513 1HA GLY 62 1HA GLY 62 -0.875 -13.391 5.341 514 2HA GLY 62 2HA GLY 62 -1.306 -11.728 5.708 515 H ILE 63 H ILE 63 1.241 -12.326 5.173 516 HA ILE 63 HA ILE 63 2.571 -11.895 7.737 517 HB ILE 63 HB ILE 63 3.567 -13.971 5.738 518 1HG1 ILE 63 1HG1 ILE 63 3.500 -15.517 7.847 519 2HG1 ILE 63 2HG1 ILE 63 2.357 -14.343 8.478 520 1HG2 ILE 63 1HG2 ILE 63 4.861 -13.076 8.296 521 2HG2 ILE 63 2HG2 ILE 63 5.419 -12.765 6.653 522 3HG2 ILE 63 3HG2 ILE 63 5.406 -14.413 7.284 523 1HD1 ILE 63 1HD1 ILE 63 0.887 -14.778 6.565 524 2HD1 ILE 63 2HD1 ILE 63 1.214 -16.236 7.498 525 3HD1 ILE 63 3HD1 ILE 63 2.038 -15.969 5.960 526 H ASP 64 H ASP 64 3.840 -10.138 7.484 527 HA ASP 64 HA ASP 64 4.628 -9.266 4.817 528 1HB ASP 64 1HB ASP 64 3.944 -7.621 6.663 529 2HB ASP 64 2HB ASP 64 5.372 -8.125 7.550 530 H GLU 65 H GLU 65 6.213 -10.584 4.002 531 HA GLU 65 HA GLU 65 7.855 -12.130 5.688 532 1HB GLU 65 1HB GLU 65 8.017 -11.643 2.726 533 2HB GLU 65 2HB GLU 65 9.004 -12.811 3.593 534 1HG GLU 65 1HG GLU 65 6.912 -13.928 4.342 535 2HG GLU 65 2HG GLU 65 6.011 -12.825 3.304 536 H GLU 66 H GLU 66 8.652 -9.465 3.547 537 HA GLU 66 HA GLU 66 10.532 -8.383 5.276 538 1HB GLU 66 1HB GLU 66 11.670 -10.553 4.333 539 2HB GLU 66 2HB GLU 66 11.730 -9.693 2.809 540 1HG GLU 66 1HG GLU 66 12.877 -8.225 5.058 541 2HG GLU 66 2HG GLU 66 13.697 -9.733 4.682 542 H ARG 67 H ARG 67 11.705 -6.608 3.760 543 HA ARG 67 HA ARG 67 9.426 -5.529 2.389 544 1HB ARG 67 1HB ARG 67 10.583 -4.098 3.991 545 2HB ARG 67 2HB ARG 67 12.040 -4.212 3.008 546 1HG ARG 67 1HG ARG 67 10.712 -2.092 2.724 547 2HG ARG 67 2HG ARG 67 11.077 -2.976 1.240 548 1HD ARG 67 1HD ARG 67 8.812 -2.260 1.176 549 2HD ARG 67 2HD ARG 67 8.884 -4.016 1.329 550 HE ARG 67 HE ARG 67 8.173 -2.145 3.515 551 1HH1 ARG 67 1HH1 ARG 67 7.776 -5.468 2.117 552 2HH1 ARG 67 2HH1 ARG 67 6.692 -5.898 3.365 553 1HH2 ARG 67 1HH2 ARG 67 6.617 -2.910 5.101 554 2HH2 ARG 67 2HH2 ARG 67 6.053 -4.534 4.988 555 H SER 68 H SER 68 12.618 -6.546 1.688 556 HA SER 68 HA SER 68 12.305 -5.876 -1.107 557 1HB SER 68 1HB SER 68 14.482 -5.514 0.167 558 2HB SER 68 2HB SER 68 14.648 -7.269 0.245 559 HG SER 68 HG SER 68 14.172 -6.068 -2.212 560 H THR 69 H THR 69 10.638 -7.687 0.170 561 HA THR 69 HA THR 69 10.835 -10.007 -1.547 562 HB THR 69 HB THR 69 10.207 -10.194 1.434 563 HG1 THR 69 HG1 THR 69 12.561 -10.023 0.203 564 1HG2 THR 69 1HG2 THR 69 9.182 -11.972 0.046 565 2HG2 THR 69 2HG2 THR 69 10.425 -12.621 1.113 566 3HG2 THR 69 3HG2 THR 69 10.775 -12.375 -0.597 567 H VAL 70 H VAL 70 8.584 -10.994 -1.569 568 HA VAL 70 HA VAL 70 6.568 -8.949 -1.692 569 HB VAL 70 HB VAL 70 5.047 -10.827 -2.302 570 1HG1 VAL 70 1HG1 VAL 70 6.099 -11.343 -4.456 571 2HG1 VAL 70 2HG1 VAL 70 7.621 -10.676 -3.854 572 3HG1 VAL 70 3HG1 VAL 70 6.207 -9.638 -4.032 573 1HG2 VAL 70 1HG2 VAL 70 5.974 -13.054 -2.746 574 2HG2 VAL 70 2HG2 VAL 70 6.130 -12.632 -1.041 575 3HG2 VAL 70 3HG2 VAL 70 7.532 -12.539 -2.103 576 H MET 71 H MET 71 5.423 -8.276 -0.192 577 HA MET 71 HA MET 71 5.247 -9.802 2.272 578 1HB MET 71 1HB MET 71 4.066 -7.922 3.244 579 2HB MET 71 2HB MET 71 5.423 -7.267 2.350 580 1HG MET 71 1HG MET 71 3.922 -6.632 0.521 581 2HG MET 71 2HG MET 71 2.562 -7.342 1.376 582 1HE MET 71 1HE MET 71 1.642 -3.585 1.681 583 2HE MET 71 2HE MET 71 1.070 -5.207 1.293 584 3HE MET 71 3HE MET 71 2.298 -4.443 0.287 585 H ILE 72 H ILE 72 3.456 -11.069 2.777 586 HA ILE 72 HA ILE 72 1.413 -10.950 0.724 587 HB ILE 72 HB ILE 72 2.659 -12.966 0.373 588 1HG1 ILE 72 1HG1 ILE 72 0.903 -14.733 0.647 589 2HG1 ILE 72 2HG1 ILE 72 -0.003 -13.618 1.660 590 1HG2 ILE 72 1HG2 ILE 72 3.728 -13.295 2.473 591 2HG2 ILE 72 2HG2 ILE 72 2.885 -14.774 2.011 592 3HG2 ILE 72 3HG2 ILE 72 2.195 -13.711 3.237 593 1HD1 ILE 72 1HD1 ILE 72 -0.237 -12.089 -0.227 594 2HD1 ILE 72 2HD1 ILE 72 -0.877 -13.687 -0.609 595 3HD1 ILE 72 3HD1 ILE 72 0.694 -13.193 -1.239 596 HA PRO 73 HA PRO 73 -0.864 -10.394 4.510 597 1HB PRO 73 1HB PRO 73 -2.079 -8.025 3.668 598 2HB PRO 73 2HB PRO 73 -0.670 -8.163 4.732 599 1HG PRO 73 1HG PRO 73 -0.691 -7.078 2.110 600 2HG PRO 73 2HG PRO 73 0.730 -7.437 3.103 601 1HD PRO 73 1HD PRO 73 -0.525 -9.058 0.938 602 2HD PRO 73 2HD PRO 73 1.181 -8.938 1.419 603 H TYR 74 H TYR 74 -2.360 -11.889 4.240 604 HA TYR 74 HA TYR 74 -4.055 -11.996 1.890 605 1HB TYR 74 1HB TYR 74 -2.866 -13.998 2.933 606 2HB TYR 74 2HB TYR 74 -3.985 -13.817 4.279 607 HD1 TYR 74 HD1 TYR 74 -5.960 -15.025 4.260 608 HD2 TYR 74 HD2 TYR 74 -4.001 -14.274 0.564 609 HE1 TYR 74 HE1 TYR 74 -7.584 -16.449 3.124 610 HE2 TYR 74 HE2 TYR 74 -5.630 -15.709 -0.595 611 HH TYR 74 HH TYR 74 -7.131 -17.518 -0.081 612 H THR 75 H THR 75 -4.598 -9.844 2.986 613 HA THR 75 HA THR 75 -6.540 -10.145 5.025 614 HB THR 75 HB THR 75 -6.625 -7.631 4.856 615 HG1 THR 75 HG1 THR 75 -5.641 -7.945 2.569 616 1HG2 THR 75 1HG2 THR 75 -4.401 -7.269 5.851 617 2HG2 THR 75 2HG2 THR 75 -3.883 -8.844 5.253 618 3HG2 THR 75 3HG2 THR 75 -5.140 -8.742 6.480 619 H LYS 76 H LYS 76 -8.662 -10.217 4.515 620 HA LYS 76 HA LYS 76 -9.443 -9.870 1.704 621 1HB LYS 76 1HB LYS 76 -11.036 -11.050 3.998 622 2HB LYS 76 2HB LYS 76 -11.503 -11.045 2.314 623 1HG LYS 76 1HG LYS 76 -9.667 -12.557 1.776 624 2HG LYS 76 2HG LYS 76 -9.149 -12.537 3.465 625 1HD LYS 76 1HD LYS 76 -11.316 -13.467 4.143 626 2HD LYS 76 2HD LYS 76 -11.832 -13.483 2.459 627 1HE LYS 76 1HE LYS 76 -10.026 -15.067 1.937 628 2HE LYS 76 2HE LYS 76 -9.539 -15.052 3.630 629 1HZ LYS 76 1HZ LYS 76 -11.679 -16.006 4.232 630 2HZ LYS 76 2HZ LYS 76 -10.953 -16.982 3.079 631 3HZ LYS 76 3HZ LYS 76 -12.197 -15.959 2.638 632 HA PRO 77 HA PRO 77 -11.495 -6.203 3.498 633 1HB PRO 77 1HB PRO 77 -10.412 -4.361 1.864 634 2HB PRO 77 2HB PRO 77 -9.509 -5.013 3.229 635 1HG PRO 77 1HG PRO 77 -9.058 -5.415 0.376 636 2HG PRO 77 2HG PRO 77 -8.011 -5.846 1.735 637 1HD PRO 77 1HD PRO 77 -9.906 -7.532 0.234 638 2HD PRO 77 2HD PRO 77 -8.578 -8.012 1.315 639 H CYS 78 H CYS 78 -12.429 -4.209 1.998 640 HA CYS 78 HA CYS 78 -14.164 -5.464 0.029 641 1HB CYS 78 1HB CYS 78 -15.174 -4.077 1.828 642 2HB CYS 78 2HB CYS 78 -14.250 -2.691 1.276 643 HG CYS 78 HG CYS 78 -15.545 -2.584 -1.196 644 H TYR 79 H TYR 79 -11.208 -4.484 -0.186 645 HA TYR 79 HA TYR 79 -11.618 -2.992 -2.675 646 1HB TYR 79 1HB TYR 79 -10.516 -1.603 -0.934 647 2HB TYR 79 2HB TYR 79 -9.218 -2.782 -0.824 648 HD1 TYR 79 HD1 TYR 79 -10.903 -0.500 -3.235 649 HD2 TYR 79 HD2 TYR 79 -7.313 -2.520 -2.176 650 HE1 TYR 79 HE1 TYR 79 -9.705 0.722 -4.995 651 HE2 TYR 79 HE2 TYR 79 -6.105 -1.304 -3.940 652 HH TYR 79 HH TYR 79 -6.631 -0.170 -6.052 653 H GLY 80 H GLY 80 -8.651 -4.574 -1.401 654 1HA GLY 80 1HA GLY 80 -8.848 -6.882 -2.960 655 2HA GLY 80 2HA GLY 80 -7.908 -5.660 -3.818 656 H THR 81 H THR 81 -6.493 -7.755 -3.256 657 HA THR 81 HA THR 81 -5.176 -7.409 -0.679 658 HB THR 81 HB THR 81 -4.773 -9.484 -2.809 659 HG1 THR 81 HG1 THR 81 -6.514 -9.412 -0.563 660 1HG2 THR 81 1HG2 THR 81 -2.890 -9.311 -1.267 661 2HG2 THR 81 2HG2 THR 81 -3.749 -10.828 -1.006 662 3HG2 THR 81 3HG2 THR 81 -3.980 -9.483 0.108 663 H ALA 82 H ALA 82 -3.201 -6.727 -0.452 664 HA ALA 82 HA ALA 82 -1.985 -5.568 -2.831 665 1HB ALA 82 1HB ALA 82 -1.874 -4.666 0.032 666 2HB ALA 82 2HB ALA 82 -2.872 -3.969 -1.244 667 3HB ALA 82 3HB ALA 82 -1.111 -3.866 -1.341 668 H VAL 83 H VAL 83 -0.252 -6.739 -3.426 669 HA VAL 83 HA VAL 83 1.652 -7.657 -1.359 670 HB VAL 83 HB VAL 83 1.300 -8.672 -4.204 671 1HG1 VAL 83 1HG1 VAL 83 2.801 -9.842 -1.864 672 2HG1 VAL 83 2HG1 VAL 83 3.521 -9.035 -3.255 673 3HG1 VAL 83 3HG1 VAL 83 2.672 -10.568 -3.464 674 1HG2 VAL 83 1HG2 VAL 83 0.249 -9.944 -1.676 675 2HG2 VAL 83 2HG2 VAL 83 0.227 -10.683 -3.278 676 3HG2 VAL 83 3HG2 VAL 83 -0.720 -9.229 -2.966 677 H VAL 84 H VAL 84 3.684 -6.792 -1.536 678 HA VAL 84 HA VAL 84 4.329 -5.272 -3.952 679 HB VAL 84 HB VAL 84 5.097 -3.288 -2.734 680 1HG1 VAL 84 1HG1 VAL 84 2.403 -4.017 -1.766 681 2HG1 VAL 84 2HG1 VAL 84 2.844 -3.193 -3.261 682 3HG1 VAL 84 3HG1 VAL 84 3.134 -2.414 -1.706 683 1HG2 VAL 84 1HG2 VAL 84 6.027 -4.407 -0.743 684 2HG2 VAL 84 2HG2 VAL 84 4.392 -4.712 -0.159 685 3HG2 VAL 84 3HG2 VAL 84 4.979 -3.057 -0.307 686 H GLU 85 H GLU 85 6.582 -5.105 -4.326 687 HA GLU 85 HA GLU 85 8.324 -6.517 -2.470 688 1HB GLU 85 1HB GLU 85 7.569 -8.134 -4.233 689 2HB GLU 85 2HB GLU 85 8.276 -7.066 -5.442 690 1HG GLU 85 1HG GLU 85 10.455 -7.326 -4.206 691 2HG GLU 85 2HG GLU 85 9.676 -8.609 -3.288 692 H LEU 86 H LEU 86 10.034 -5.252 -2.157 693 HA LEU 86 HA LEU 86 10.490 -3.110 -4.078 694 1HB LEU 86 1HB LEU 86 9.969 -2.582 -1.712 695 2HB LEU 86 2HB LEU 86 11.416 -3.436 -1.227 696 HG LEU 86 HG LEU 86 12.684 -1.754 -2.639 697 1HD1 LEU 86 1HD1 LEU 86 10.078 -0.291 -2.522 698 2HD1 LEU 86 2HD1 LEU 86 10.934 -0.864 -3.961 699 3HD1 LEU 86 3HD1 LEU 86 11.631 0.413 -2.970 700 1HD2 LEU 86 1HD2 LEU 86 11.200 -0.836 -0.184 701 2HD2 LEU 86 2HD2 LEU 86 12.648 -0.080 -0.845 702 3HD2 LEU 86 3HD2 LEU 86 12.724 -1.725 -0.215 703 HA PRO 87 HA PRO 87 14.458 -5.322 -4.843 704 1HB PRO 87 1HB PRO 87 15.361 -3.115 -6.464 705 2HB PRO 87 2HB PRO 87 14.777 -4.687 -7.001 706 1HG PRO 87 1HG PRO 87 13.441 -2.380 -7.465 707 2HG PRO 87 2HG PRO 87 12.639 -3.948 -7.287 708 1HD PRO 87 1HD PRO 87 12.972 -1.762 -5.254 709 2HD PRO 87 2HD PRO 87 11.530 -2.724 -5.661 710 H VAL 88 H VAL 88 14.035 -2.644 -3.090 711 HA VAL 88 HA VAL 88 16.885 -2.075 -2.684 712 HB VAL 88 HB VAL 88 14.604 -0.540 -1.457 713 1HG1 VAL 88 1HG1 VAL 88 16.175 1.309 -1.336 714 2HG1 VAL 88 2HG1 VAL 88 17.413 0.296 -2.077 715 3HG1 VAL 88 3HG1 VAL 88 16.756 -0.128 -0.493 716 1HG2 VAL 88 1HG2 VAL 88 15.837 0.054 -4.152 717 2HG2 VAL 88 2HG2 VAL 88 14.711 1.109 -3.294 718 3HG2 VAL 88 3HG2 VAL 88 14.181 -0.474 -3.860 719 H ASP 89 H ASP 89 17.634 -2.126 -0.568 720 HA ASP 89 HA ASP 89 16.839 -4.307 0.992 721 1HB ASP 89 1HB ASP 89 19.127 -3.319 0.872 722 2HB ASP 89 2HB ASP 89 18.554 -1.939 1.787 723 HA PRO 90 HA PRO 90 13.401 -2.907 3.483 724 1HB PRO 90 1HB PRO 90 14.276 -3.923 5.947 725 2HB PRO 90 2HB PRO 90 13.300 -4.780 4.751 726 1HG PRO 90 1HG PRO 90 16.249 -4.866 5.202 727 2HG PRO 90 2HG PRO 90 15.140 -6.180 4.770 728 1HD PRO 90 1HD PRO 90 16.725 -5.120 2.942 729 2HD PRO 90 2HD PRO 90 15.041 -5.516 2.530 730 H GLU 91 H GLU 91 16.652 -2.013 4.348 731 HA GLU 91 HA GLU 91 16.159 -0.274 6.508 732 1HB GLU 91 1HB GLU 91 18.251 0.839 5.896 733 2HB GLU 91 2HB GLU 91 18.422 -0.908 5.837 734 1HG GLU 91 1HG GLU 91 18.403 -0.940 3.497 735 2HG GLU 91 2HG GLU 91 17.822 0.712 3.379 736 H GLU 92 H GLU 92 15.366 -0.014 3.201 737 HA GLU 92 HA GLU 92 15.214 2.738 2.750 738 1HB GLU 92 1HB GLU 92 15.026 0.995 1.005 739 2HB GLU 92 2HB GLU 92 13.497 0.486 1.679 740 1HG GLU 92 1HG GLU 92 13.111 1.772 -0.324 741 2HG GLU 92 2HG GLU 92 12.531 2.677 1.065 742 H ILE 93 H ILE 93 13.185 0.559 4.601 743 HA ILE 93 HA ILE 93 10.816 2.053 4.630 744 HB ILE 93 HB ILE 93 11.899 0.139 6.721 745 1HG1 ILE 93 1HG1 ILE 93 9.816 -0.219 4.551 746 2HG1 ILE 93 2HG1 ILE 93 11.452 -0.865 4.529 747 1HG2 ILE 93 1HG2 ILE 93 9.607 0.019 7.622 748 2HG2 ILE 93 2HG2 ILE 93 9.109 1.294 6.510 749 3HG2 ILE 93 3HG2 ILE 93 10.282 1.643 7.779 750 1HD1 ILE 93 1HD1 ILE 93 10.935 -2.281 6.428 751 2HD1 ILE 93 2HD1 ILE 93 9.780 -2.555 5.118 752 3HD1 ILE 93 3HD1 ILE 93 9.316 -1.593 6.518 753 H GLU 94 H GLU 94 13.721 2.313 6.604 754 HA GLU 94 HA GLU 94 12.596 4.114 8.515 755 1HB GLU 94 1HB GLU 94 15.474 3.847 7.700 756 2HB GLU 94 2HB GLU 94 14.886 4.621 9.162 757 1HG GLU 94 1HG GLU 94 13.908 2.420 9.812 758 2HG GLU 94 2HG GLU 94 14.781 1.715 8.450 759 H ARG 95 H ARG 95 14.141 4.506 5.461 760 HA ARG 95 HA ARG 95 14.426 7.351 5.482 761 1HB ARG 95 1HB ARG 95 15.685 5.820 4.005 762 2HB ARG 95 2HB ARG 95 14.186 5.354 3.232 763 1HG ARG 95 1HG ARG 95 13.940 7.720 2.469 764 2HG ARG 95 2HG ARG 95 15.573 8.015 3.089 765 1HD ARG 95 1HD ARG 95 16.389 6.147 1.727 766 2HD ARG 95 2HD ARG 95 14.770 5.956 1.078 767 HE ARG 95 HE ARG 95 15.954 8.563 0.712 768 1HH1 ARG 95 1HH1 ARG 95 15.209 5.414 -0.712 769 2HH1 ARG 95 2HH1 ARG 95 15.704 5.821 -2.284 770 1HH2 ARG 95 1HH2 ARG 95 16.566 9.185 -1.475 771 2HH2 ARG 95 2HH2 ARG 95 16.481 8.047 -2.733 772 H ILE 96 H ILE 96 12.154 5.014 4.227 773 HA ILE 96 HA ILE 96 10.320 6.783 3.073 774 HB ILE 96 HB ILE 96 10.443 3.979 3.872 775 1HG1 ILE 96 1HG1 ILE 96 11.547 4.525 1.842 776 2HG1 ILE 96 2HG1 ILE 96 10.177 3.490 1.463 777 1HG2 ILE 96 1HG2 ILE 96 8.211 3.435 2.887 778 2HG2 ILE 96 2HG2 ILE 96 7.915 5.168 2.746 779 3HG2 ILE 96 3HG2 ILE 96 8.100 4.436 4.341 780 1HD1 ILE 96 1HD1 ILE 96 10.384 5.233 -0.170 781 2HD1 ILE 96 2HD1 ILE 96 10.345 6.475 1.074 782 3HD1 ILE 96 3HD1 ILE 96 8.915 5.482 0.765 783 H LEU 97 H LEU 97 10.802 5.740 6.330 784 HA LEU 97 HA LEU 97 8.225 6.437 7.300 785 1HB LEU 97 1HB LEU 97 9.733 4.892 8.487 786 2HB LEU 97 2HB LEU 97 10.855 6.203 8.770 787 HG LEU 97 HG LEU 97 9.177 7.323 10.187 788 1HD1 LEU 97 1HD1 LEU 97 7.545 4.835 9.714 789 2HD1 LEU 97 2HD1 LEU 97 7.142 6.473 9.188 790 3HD1 LEU 97 3HD1 LEU 97 7.190 6.083 10.906 791 1HD2 LEU 97 1HD2 LEU 97 9.297 5.752 12.064 792 2HD2 LEU 97 2HD2 LEU 97 10.834 5.866 11.208 793 3HD2 LEU 97 3HD2 LEU 97 9.785 4.471 10.954 794 H GLU 98 H GLU 98 11.185 8.148 6.736 795 HA GLU 98 HA GLU 98 10.430 10.571 8.119 796 1HB GLU 98 1HB GLU 98 12.810 9.856 7.634 797 2HB GLU 98 2HB GLU 98 12.469 10.135 5.937 798 1HG GLU 98 1HG GLU 98 11.899 12.508 6.550 799 2HG GLU 98 2HG GLU 98 12.580 12.168 8.138 800 H VAL 99 H VAL 99 10.526 9.280 4.924 801 HA VAL 99 HA VAL 99 9.426 11.626 3.643 802 HB VAL 99 HB VAL 99 10.211 8.908 2.514 803 1HG1 VAL 99 1HG1 VAL 99 10.465 10.119 0.360 804 2HG1 VAL 99 2HG1 VAL 99 9.899 11.601 1.131 805 3HG1 VAL 99 3HG1 VAL 99 8.809 10.227 0.956 806 1HG2 VAL 99 1HG2 VAL 99 11.843 11.431 2.745 807 2HG2 VAL 99 2HG2 VAL 99 12.332 9.982 1.865 808 3HG2 VAL 99 3HG2 VAL 99 12.101 9.918 3.613 809 H ALA 100 H ALA 100 7.971 9.678 5.552 810 HA ALA 100 HA ALA 100 6.000 8.198 4.163 811 1HB ALA 100 1HB ALA 100 6.656 7.705 6.457 812 2HB ALA 100 2HB ALA 100 4.914 7.943 6.307 813 3HB ALA 100 3HB ALA 100 5.923 9.219 6.987 814 H GLU 101 H GLU 101 6.129 11.458 5.265 815 HA GLU 101 HA GLU 101 3.454 11.802 4.230 816 1HB GLU 101 1HB GLU 101 4.548 12.962 6.792 817 2HB GLU 101 2HB GLU 101 3.026 13.449 6.070 818 1HG GLU 101 1HG GLU 101 2.164 11.177 6.358 819 2HG GLU 101 2HG GLU 101 3.707 10.679 7.048 820 HA PRO 102 HA PRO 102 6.148 14.948 2.274 821 1HB PRO 102 1HB PRO 102 4.255 14.656 0.048 822 2HB PRO 102 2HB PRO 102 5.995 14.348 0.066 823 1HG PRO 102 1HG PRO 102 4.263 12.300 -0.112 824 2HG PRO 102 2HG PRO 102 5.737 12.181 0.878 825 1HD PRO 102 1HD PRO 102 2.958 12.872 1.769 826 2HD PRO 102 2HD PRO 102 4.055 11.599 2.372 Start of MODEL 11 1 H HIS 1 H HIS 1 2.871 9.189 -11.942 2 HA HIS 1 HA HIS 1 1.969 7.165 -11.318 3 1HB HIS 1 1HB HIS 1 4.814 6.146 -11.439 4 2HB HIS 1 2HB HIS 1 3.544 5.314 -10.556 5 HD1 HIS 1 HD1 HIS 1 5.229 4.763 -13.520 6 HD2 HIS 1 HD2 HIS 1 1.185 5.178 -12.634 7 HE1 HIS 1 HE1 HIS 1 3.992 3.658 -15.387 8 H MET 2 H MET 2 1.286 8.222 -9.635 9 HA MET 2 HA MET 2 2.287 7.718 -7.143 10 1HB MET 2 1HB MET 2 2.873 9.942 -6.330 11 2HB MET 2 2HB MET 2 4.031 9.378 -7.528 12 1HG MET 2 1HG MET 2 2.977 10.828 -9.196 13 2HG MET 2 2HG MET 2 1.813 11.373 -7.987 14 1HE MET 2 1HE MET 2 3.450 13.462 -9.646 15 2HE MET 2 2HE MET 2 3.939 14.573 -8.361 16 3HE MET 2 3HE MET 2 2.327 13.867 -8.348 17 H THR 3 H THR 3 0.700 7.924 -5.772 18 HA THR 3 HA THR 3 -1.543 9.598 -6.563 19 HB THR 3 HB THR 3 -1.696 6.752 -5.590 20 HG1 THR 3 HG1 THR 3 -2.149 8.058 -8.051 21 1HG2 THR 3 1HG2 THR 3 -3.948 8.632 -6.367 22 2HG2 THR 3 2HG2 THR 3 -3.576 8.123 -4.723 23 3HG2 THR 3 3HG2 THR 3 -4.136 6.940 -5.906 24 H PHE 4 H PHE 4 -2.095 10.929 -5.016 25 HA PHE 4 HA PHE 4 -1.446 10.278 -2.225 26 1HB PHE 4 1HB PHE 4 -1.564 13.013 -3.539 27 2HB PHE 4 2HB PHE 4 -1.175 12.701 -1.843 28 HD1 PHE 4 HD1 PHE 4 0.033 12.610 -5.262 29 HD2 PHE 4 HD2 PHE 4 0.904 11.584 -1.236 30 HE1 PHE 4 HE1 PHE 4 2.358 12.168 -5.875 31 HE2 PHE 4 HE2 PHE 4 3.237 11.149 -1.849 32 HZ PHE 4 HZ PHE 4 3.952 11.409 -4.175 33 H CYS 5 H CYS 5 -3.877 10.705 -4.424 34 HA CYS 5 HA CYS 5 -5.852 11.868 -2.652 35 1HB CYS 5 1HB CYS 5 -6.053 10.614 -5.378 36 2HB CYS 5 2HB CYS 5 -7.342 11.472 -4.539 37 HG CYS 5 HG CYS 5 -4.754 13.427 -4.585 38 H LEU 6 H LEU 6 -6.168 10.809 -0.999 39 HA LEU 6 HA LEU 6 -6.700 8.008 -1.238 40 1HB LEU 6 1HB LEU 6 -6.896 7.912 1.249 41 2HB LEU 6 2HB LEU 6 -5.347 8.465 0.707 42 HG LEU 6 HG LEU 6 -5.885 9.606 2.673 43 1HD1 LEU 6 1HD1 LEU 6 -6.330 11.563 0.473 44 2HD1 LEU 6 2HD1 LEU 6 -4.780 10.983 1.073 45 3HD1 LEU 6 3HD1 LEU 6 -5.837 11.929 2.124 46 1HD2 LEU 6 1HD2 LEU 6 -7.889 11.067 2.931 47 2HD2 LEU 6 2HD2 LEU 6 -8.241 9.337 2.870 48 3HD2 LEU 6 3HD2 LEU 6 -8.531 10.348 1.456 49 H GLU 7 H GLU 7 -8.452 10.936 -0.675 50 HA GLU 7 HA GLU 7 -10.839 9.643 0.149 51 1HB GLU 7 1HB GLU 7 -10.559 11.775 0.958 52 2HB GLU 7 2HB GLU 7 -10.048 12.459 -0.550 53 1HG GLU 7 1HG GLU 7 -12.396 12.321 -1.335 54 2HG GLU 7 2HG GLU 7 -12.840 11.613 0.218 55 H THR 8 H THR 8 -9.375 9.797 -2.784 56 HA THR 8 HA THR 8 -11.645 9.882 -4.456 57 HB THR 8 HB THR 8 -8.884 8.757 -5.028 58 HG1 THR 8 HG1 THR 8 -9.896 11.311 -4.733 59 1HG2 THR 8 1HG2 THR 8 -11.003 9.878 -6.882 60 2HG2 THR 8 2HG2 THR 8 -10.576 8.175 -6.728 61 3HG2 THR 8 3HG2 THR 8 -9.400 9.325 -7.365 62 H TYR 9 H TYR 9 -10.252 7.597 -2.354 63 HA TYR 9 HA TYR 9 -10.727 5.174 -3.684 64 1HB TYR 9 1HB TYR 9 -10.668 4.041 -1.474 65 2HB TYR 9 2HB TYR 9 -9.325 5.130 -1.696 66 HD1 TYR 9 HD1 TYR 9 -8.770 5.243 0.641 67 HD2 TYR 9 HD2 TYR 9 -12.687 6.320 -0.545 68 HE1 TYR 9 HE1 TYR 9 -9.199 6.229 2.863 69 HE2 TYR 9 HE2 TYR 9 -13.105 7.292 1.650 70 HH TYR 9 HH TYR 9 -12.293 7.093 3.888 71 H LEU 10 H LEU 10 -12.853 7.323 -2.124 72 HA LEU 10 HA LEU 10 -14.826 5.467 -1.560 73 1HB LEU 10 1HB LEU 10 -14.507 7.702 -0.457 74 2HB LEU 10 2HB LEU 10 -15.158 8.450 -1.889 75 HG LEU 10 HG LEU 10 -16.738 6.538 -0.162 76 1HD1 LEU 10 1HD1 LEU 10 -16.072 8.460 1.163 77 2HD1 LEU 10 2HD1 LEU 10 -17.796 8.528 0.796 78 3HD1 LEU 10 3HD1 LEU 10 -16.662 9.546 -0.094 79 1HD2 LEU 10 1HD2 LEU 10 -17.609 8.576 -2.219 80 2HD2 LEU 10 2HD2 LEU 10 -18.687 7.579 -1.246 81 3HD2 LEU 10 3HD2 LEU 10 -17.622 6.826 -2.432 82 H GLN 11 H GLN 11 -14.057 7.565 -4.183 83 HA GLN 11 HA GLN 11 -16.461 7.226 -5.678 84 1HB GLN 11 1HB GLN 11 -13.788 8.479 -6.320 85 2HB GLN 11 2HB GLN 11 -15.078 8.372 -7.498 86 1HG GLN 11 1HG GLN 11 -15.008 10.584 -6.519 87 2HG GLN 11 2HG GLN 11 -16.496 9.774 -6.062 88 1HE2 GLN 11 1HE2 GLN 11 -13.434 11.018 -4.936 89 2HE2 GLN 11 2HE2 GLN 11 -13.809 10.915 -3.267 90 H GLN 12 H GLN 12 -14.010 5.200 -5.030 91 HA GLN 12 HA GLN 12 -14.238 3.896 -7.618 92 1HB GLN 12 1HB GLN 12 -11.852 4.062 -5.820 93 2HB GLN 12 2HB GLN 12 -11.989 2.829 -7.066 94 1HG GLN 12 1HG GLN 12 -12.133 5.796 -7.561 95 2HG GLN 12 2HG GLN 12 -10.690 4.806 -7.783 96 1HE2 GLN 12 1HE2 GLN 12 -13.895 5.517 -9.007 97 2HE2 GLN 12 2HE2 GLN 12 -13.683 4.763 -10.530 98 H SER 13 H SER 13 -14.471 3.365 -4.110 99 HA SER 13 HA SER 13 -15.754 0.869 -4.651 100 1HB SER 13 1HB SER 13 -13.339 0.228 -4.859 101 2HB SER 13 2HB SER 13 -13.082 0.785 -3.210 102 HG SER 13 HG SER 13 -13.811 -1.578 -4.014 103 H GLY 14 H GLY 14 -13.973 2.637 -2.167 104 1HA GLY 14 1HA GLY 14 -15.923 3.460 -0.541 105 2HA GLY 14 2HA GLY 14 -15.661 1.775 -0.051 106 H GLU 15 H GLU 15 -14.678 2.498 1.950 107 HA GLU 15 HA GLU 15 -12.369 4.097 1.556 108 1HB GLU 15 1HB GLU 15 -13.268 2.796 4.158 109 2HB GLU 15 2HB GLU 15 -11.970 3.956 3.994 110 1HG GLU 15 1HG GLU 15 -13.741 5.203 4.815 111 2HG GLU 15 2HG GLU 15 -13.745 5.551 3.092 112 H TYR 16 H TYR 16 -10.261 3.497 1.609 113 HA TYR 16 HA TYR 16 -9.602 0.708 2.124 114 1HB TYR 16 1HB TYR 16 -10.073 0.914 -0.295 115 2HB TYR 16 2HB TYR 16 -8.856 2.172 -0.425 116 HD1 TYR 16 HD1 TYR 16 -6.925 1.445 -1.485 117 HD2 TYR 16 HD2 TYR 16 -9.009 -1.256 1.055 118 HE1 TYR 16 HE1 TYR 16 -5.212 -0.271 -1.905 119 HE2 TYR 16 HE2 TYR 16 -7.313 -2.967 0.641 120 HH TYR 16 HH TYR 16 -5.658 -3.527 -1.009 121 H GLU 17 H GLU 17 -9.095 3.733 2.954 122 HA GLU 17 HA GLU 17 -6.325 3.474 3.682 123 1HB GLU 17 1HB GLU 17 -7.374 5.890 2.151 124 2HB GLU 17 2HB GLU 17 -5.759 5.694 2.756 125 1HG GLU 17 1HG GLU 17 -6.916 3.955 0.591 126 2HG GLU 17 2HG GLU 17 -6.121 5.488 0.262 127 H ILE 18 H ILE 18 -5.996 5.654 5.046 128 HA ILE 18 HA ILE 18 -8.553 6.337 6.210 129 HB ILE 18 HB ILE 18 -7.202 5.276 7.945 130 1HG1 ILE 18 1HG1 ILE 18 -7.309 8.254 8.470 131 2HG1 ILE 18 2HG1 ILE 18 -8.618 7.111 8.726 132 1HG2 ILE 18 1HG2 ILE 18 -5.079 7.275 7.307 133 2HG2 ILE 18 2HG2 ILE 18 -4.997 5.498 7.213 134 3HG2 ILE 18 3HG2 ILE 18 -5.104 6.303 8.769 135 1HD1 ILE 18 1HD1 ILE 18 -5.989 7.153 10.193 136 2HD1 ILE 18 2HD1 ILE 18 -7.298 6.003 10.465 137 3HD1 ILE 18 3HD1 ILE 18 -7.539 7.715 10.818 138 H HIS 19 H HIS 19 -8.768 8.695 6.874 139 HA HIS 19 HA HIS 19 -7.896 10.367 4.749 140 1HB HIS 19 1HB HIS 19 -10.102 10.575 6.037 141 2HB HIS 19 2HB HIS 19 -9.165 11.286 7.341 142 HD1 HIS 19 HD1 HIS 19 -11.114 12.252 4.467 143 HD2 HIS 19 HD2 HIS 19 -7.714 13.718 6.360 144 HE1 HIS 19 HE1 HIS 19 -10.860 14.626 3.717 145 H MET 20 H MET 20 -5.801 9.842 5.137 146 HA MET 20 HA MET 20 -4.295 11.773 6.765 147 1HB MET 20 1HB MET 20 -3.930 8.805 6.548 148 2HB MET 20 2HB MET 20 -2.569 9.814 7.016 149 1HG MET 20 1HG MET 20 -5.199 9.481 8.452 150 2HG MET 20 2HG MET 20 -3.656 8.777 8.924 151 1HE MET 20 1HE MET 20 -5.464 10.376 10.937 152 2HE MET 20 2HE MET 20 -4.243 11.360 11.751 153 3HE MET 20 3HE MET 20 -3.896 9.682 11.343 154 H LYS 21 H LYS 21 -1.768 11.117 5.849 155 HA LYS 21 HA LYS 21 -1.952 11.845 3.061 156 1HB LYS 21 1HB LYS 21 0.271 11.691 5.035 157 2HB LYS 21 2HB LYS 21 0.618 11.768 3.318 158 1HG LYS 21 1HG LYS 21 -1.064 13.771 4.767 159 2HG LYS 21 2HG LYS 21 0.686 13.925 4.518 160 1HD LYS 21 1HD LYS 21 0.275 13.725 2.065 161 2HD LYS 21 2HD LYS 21 -1.457 13.786 2.398 162 1HE LYS 21 1HE LYS 21 -0.543 15.971 1.745 163 2HE LYS 21 2HE LYS 21 -1.228 15.992 3.367 164 1HZ LYS 21 1HZ LYS 21 0.993 15.868 4.294 165 2HZ LYS 21 2HZ LYS 21 0.953 17.133 3.180 166 3HZ LYS 21 3HZ LYS 21 1.672 15.678 2.766 167 H ARG 22 H ARG 22 -2.155 10.336 1.605 168 HA ARG 22 HA ARG 22 -0.732 7.821 2.073 169 1HB ARG 22 1HB ARG 22 -2.294 6.687 0.733 170 2HB ARG 22 2HB ARG 22 -3.309 8.015 1.236 171 1HG ARG 22 1HG ARG 22 -2.860 9.187 -0.844 172 2HG ARG 22 2HG ARG 22 -1.772 7.903 -1.349 173 1HD ARG 22 1HD ARG 22 -4.750 7.757 -0.962 174 2HD ARG 22 2HD ARG 22 -3.846 7.658 -2.462 175 HE ARG 22 HE ARG 22 -3.584 5.599 -0.366 176 1HH1 ARG 22 1HH1 ARG 22 -4.438 6.464 -3.684 177 2HH1 ARG 22 2HH1 ARG 22 -4.467 4.850 -4.246 178 1HH2 ARG 22 1HH2 ARG 22 -3.788 3.431 -1.063 179 2HH2 ARG 22 2HH2 ARG 22 -4.126 3.049 -2.693 180 H ALA 23 H ALA 23 1.072 7.490 0.936 181 HA ALA 23 HA ALA 23 1.519 9.263 -1.339 182 1HB ALA 23 1HB ALA 23 3.901 9.306 -0.766 183 2HB ALA 23 2HB ALA 23 3.580 8.293 0.643 184 3HB ALA 23 3HB ALA 23 2.916 9.925 0.561 185 H GLY 24 H GLY 24 0.785 7.726 -2.746 186 1HA GLY 24 1HA GLY 24 2.221 5.175 -2.689 187 2HA GLY 24 2HA GLY 24 0.713 5.469 -3.556 188 H PHE 25 H PHE 25 4.189 6.285 -3.490 189 HA PHE 25 HA PHE 25 4.111 7.582 -5.992 190 1HB PHE 25 1HB PHE 25 6.439 6.331 -4.510 191 2HB PHE 25 2HB PHE 25 6.609 7.285 -5.970 192 HD1 PHE 25 HD1 PHE 25 6.266 9.700 -5.915 193 HD2 PHE 25 HD2 PHE 25 5.975 7.351 -2.382 194 HE1 PHE 25 HE1 PHE 25 6.470 11.737 -4.541 195 HE2 PHE 25 HE2 PHE 25 6.173 9.379 -1.008 196 HZ PHE 25 HZ PHE 25 6.423 11.575 -2.089 197 H ARG 26 H ARG 26 5.969 4.676 -5.422 198 HA ARG 26 HA ARG 26 5.661 3.886 -8.160 199 1HB ARG 26 1HB ARG 26 6.883 2.535 -5.800 200 2HB ARG 26 2HB ARG 26 6.789 1.770 -7.372 201 1HG ARG 26 1HG ARG 26 8.933 2.649 -7.008 202 2HG ARG 26 2HG ARG 26 8.119 3.567 -8.291 203 1HD ARG 26 1HD ARG 26 7.777 5.416 -6.780 204 2HD ARG 26 2HD ARG 26 8.348 4.461 -5.425 205 HE ARG 26 HE ARG 26 10.517 4.403 -6.599 206 1HH1 ARG 26 1HH1 ARG 26 8.316 7.100 -7.346 207 2HH1 ARG 26 2HH1 ARG 26 9.562 8.250 -7.483 208 1HH2 ARG 26 1HH2 ARG 26 12.214 6.025 -6.805 209 2HH2 ARG 26 2HH2 ARG 26 11.781 7.637 -7.171 210 H GLU 27 H GLU 27 4.219 2.896 -5.119 211 HA GLU 27 HA GLU 27 3.037 0.497 -6.032 212 1HB GLU 27 1HB GLU 27 3.578 0.973 -3.719 213 2HB GLU 27 2HB GLU 27 2.485 2.343 -3.753 214 1HG GLU 27 1HG GLU 27 1.819 0.223 -2.519 215 2HG GLU 27 2HG GLU 27 0.596 0.961 -3.574 216 H CYS 28 H CYS 28 2.311 3.716 -6.623 217 HA CYS 28 HA CYS 28 -0.377 3.881 -6.930 218 1HB CYS 28 1HB CYS 28 1.031 5.757 -7.465 219 2HB CYS 28 2HB CYS 28 1.782 4.886 -8.791 220 HG CYS 28 HG CYS 28 -1.281 6.296 -8.620 221 H ALA 29 H ALA 29 1.956 2.327 -9.101 222 HA ALA 29 HA ALA 29 0.134 1.649 -11.182 223 1HB ALA 29 1HB ALA 29 2.826 0.463 -10.557 224 2HB ALA 29 2HB ALA 29 2.555 1.890 -11.558 225 3HB ALA 29 3HB ALA 29 1.945 0.318 -12.077 226 H ALA 30 H ALA 30 1.420 -0.035 -8.470 227 HA ALA 30 HA ALA 30 0.413 -2.551 -9.048 228 1HB ALA 30 1HB ALA 30 2.174 -1.990 -7.548 229 2HB ALA 30 2HB ALA 30 0.932 -3.022 -6.826 230 3HB ALA 30 3HB ALA 30 0.994 -1.300 -6.449 231 H MET 31 H MET 31 -0.819 0.042 -6.960 232 HA MET 31 HA MET 31 -2.922 -1.387 -5.882 233 1HB MET 31 1HB MET 31 -3.952 0.738 -5.239 234 2HB MET 31 2HB MET 31 -2.230 0.719 -4.915 235 1HG MET 31 1HG MET 31 -1.871 2.040 -6.965 236 2HG MET 31 2HG MET 31 -3.610 2.110 -7.199 237 1HE MET 31 1HE MET 31 -1.600 2.315 -3.771 238 2HE MET 31 2HE MET 31 -1.356 4.056 -3.659 239 3HE MET 31 3HE MET 31 -0.584 3.139 -4.951 240 H ILE 32 H ILE 32 -2.748 0.245 -8.948 241 HA ILE 32 HA ILE 32 -5.485 0.181 -9.569 242 HB ILE 32 HB ILE 32 -3.100 0.018 -11.442 243 1HG1 ILE 32 1HG1 ILE 32 -3.005 2.018 -10.062 244 2HG1 ILE 32 2HG1 ILE 32 -3.403 2.452 -11.718 245 1HG2 ILE 32 1HG2 ILE 32 -4.622 0.899 -13.173 246 2HG2 ILE 32 2HG2 ILE 32 -5.963 0.789 -12.034 247 3HG2 ILE 32 3HG2 ILE 32 -5.146 -0.677 -12.576 248 1HD1 ILE 32 1HD1 ILE 32 -4.694 3.760 -10.143 249 2HD1 ILE 32 2HD1 ILE 32 -5.326 2.297 -9.398 250 3HD1 ILE 32 3HD1 ILE 32 -5.760 2.699 -11.061 251 H GLU 33 H GLU 33 -2.953 -2.209 -9.814 252 HA GLU 33 HA GLU 33 -4.514 -4.186 -11.268 253 1HB GLU 33 1HB GLU 33 -1.961 -4.571 -9.705 254 2HB GLU 33 2HB GLU 33 -2.612 -5.621 -10.951 255 1HG GLU 33 1HG GLU 33 -1.532 -2.845 -11.350 256 2HG GLU 33 2HG GLU 33 -0.719 -4.348 -11.768 257 H LYS 34 H LYS 34 -3.715 -3.414 -8.002 258 HA LYS 34 HA LYS 34 -4.552 -5.813 -6.740 259 1HB LYS 34 1HB LYS 34 -3.957 -3.055 -5.791 260 2HB LYS 34 2HB LYS 34 -4.546 -4.278 -4.682 261 1HG LYS 34 1HG LYS 34 -2.685 -5.550 -4.801 262 2HG LYS 34 2HG LYS 34 -2.260 -5.075 -6.440 263 1HD LYS 34 1HD LYS 34 -1.547 -2.888 -5.461 264 2HD LYS 34 2HD LYS 34 -1.835 -3.581 -3.858 265 1HE LYS 34 1HE LYS 34 -0.316 -5.459 -4.503 266 2HE LYS 34 2HE LYS 34 0.064 -4.594 -5.974 267 1HZ LYS 34 1HZ LYS 34 0.903 -2.775 -4.578 268 2HZ LYS 34 2HZ LYS 34 1.773 -4.177 -4.328 269 3HZ LYS 34 3HZ LYS 34 0.622 -3.659 -3.207 270 H LYS 35 H LYS 35 -6.362 -3.401 -8.133 271 HA LYS 35 HA LYS 35 -8.631 -3.462 -6.438 272 1HB LYS 35 1HB LYS 35 -8.291 -1.722 -8.159 273 2HB LYS 35 2HB LYS 35 -8.488 -2.944 -9.411 274 1HG LYS 35 1HG LYS 35 -10.780 -3.375 -8.567 275 2HG LYS 35 2HG LYS 35 -10.570 -2.053 -7.425 276 1HD LYS 35 1HD LYS 35 -11.814 -1.330 -9.334 277 2HD LYS 35 2HD LYS 35 -10.217 -0.533 -9.305 278 1HE LYS 35 1HE LYS 35 -9.428 -2.075 -11.004 279 2HE LYS 35 2HE LYS 35 -10.972 -2.927 -10.979 280 1HZ LYS 35 1HZ LYS 35 -10.541 -0.113 -11.812 281 2HZ LYS 35 2HZ LYS 35 -12.027 -0.878 -11.793 282 3HZ LYS 35 3HZ LYS 35 -10.820 -1.410 -12.844 283 H ALA 36 H ALA 36 -7.312 -5.668 -8.723 284 HA ALA 36 HA ALA 36 -9.714 -6.884 -9.478 285 1HB ALA 36 1HB ALA 36 -7.683 -7.127 -10.826 286 2HB ALA 36 2HB ALA 36 -8.310 -8.710 -10.372 287 3HB ALA 36 3HB ALA 36 -6.917 -8.035 -9.528 288 H ARG 37 H ARG 37 -7.065 -8.107 -7.473 289 HA ARG 37 HA ARG 37 -8.876 -8.992 -5.399 290 1HB ARG 37 1HB ARG 37 -7.141 -11.077 -6.773 291 2HB ARG 37 2HB ARG 37 -8.038 -11.321 -5.293 292 1HG ARG 37 1HG ARG 37 -10.133 -10.939 -6.567 293 2HG ARG 37 2HG ARG 37 -9.166 -10.857 -8.039 294 1HD ARG 37 1HD ARG 37 -10.015 -13.084 -7.843 295 2HD ARG 37 2HD ARG 37 -8.285 -13.103 -7.500 296 HE ARG 37 HE ARG 37 -10.052 -12.894 -5.216 297 1HH1 ARG 37 1HH1 ARG 37 -7.970 -14.972 -7.179 298 2HH1 ARG 37 2HH1 ARG 37 -7.965 -16.262 -6.080 299 1HH2 ARG 37 1HH2 ARG 37 -10.077 -14.665 -3.716 300 2HH2 ARG 37 2HH2 ARG 37 -9.206 -16.094 -4.047 301 H ARG 38 H ARG 38 -5.560 -9.765 -6.425 302 HA ARG 38 HA ARG 38 -4.348 -8.229 -4.364 303 1HB ARG 38 1HB ARG 38 -5.094 -10.039 -2.971 304 2HB ARG 38 2HB ARG 38 -4.459 -11.235 -4.084 305 1HG ARG 38 1HG ARG 38 -2.182 -10.483 -3.576 306 2HG ARG 38 2HG ARG 38 -2.827 -9.321 -2.419 307 1HD ARG 38 1HD ARG 38 -2.069 -11.344 -1.279 308 2HD ARG 38 2HD ARG 38 -3.817 -11.166 -1.134 309 HE ARG 38 HE ARG 38 -3.112 -12.760 -3.374 310 1HH1 ARG 38 1HH1 ARG 38 -3.525 -12.930 0.153 311 2HH1 ARG 38 2HH1 ARG 38 -3.792 -14.624 0.143 312 1HH2 ARG 38 1HH2 ARG 38 -3.474 -15.033 -3.333 313 2HH2 ARG 38 2HH2 ARG 38 -3.736 -15.841 -1.860 314 H VAL 39 H VAL 39 -2.598 -7.553 -5.425 315 HA VAL 39 HA VAL 39 -1.175 -9.445 -7.180 316 HB VAL 39 HB VAL 39 -1.636 -6.465 -7.790 317 1HG1 VAL 39 1HG1 VAL 39 -0.365 -8.593 -9.506 318 2HG1 VAL 39 2HG1 VAL 39 0.477 -7.262 -8.712 319 3HG1 VAL 39 3HG1 VAL 39 -0.697 -6.928 -9.985 320 1HG2 VAL 39 1HG2 VAL 39 -3.675 -7.748 -8.026 321 2HG2 VAL 39 2HG2 VAL 39 -2.838 -8.898 -9.069 322 3HG2 VAL 39 3HG2 VAL 39 -3.062 -7.227 -9.596 323 H VAL 40 H VAL 40 1.146 -8.800 -7.503 324 HA VAL 40 HA VAL 40 2.237 -7.440 -5.154 325 HB VAL 40 HB VAL 40 2.853 -9.830 -5.185 326 1HG1 VAL 40 1HG1 VAL 40 4.188 -10.804 -7.014 327 2HG1 VAL 40 2HG1 VAL 40 3.961 -9.320 -7.941 328 3HG1 VAL 40 3HG1 VAL 40 2.572 -10.323 -7.528 329 1HG2 VAL 40 1HG2 VAL 40 5.309 -9.679 -5.167 330 2HG2 VAL 40 2HG2 VAL 40 4.575 -8.287 -4.370 331 3HG2 VAL 40 3HG2 VAL 40 5.214 -8.129 -6.002 332 H HIS 41 H HIS 41 4.077 -5.973 -5.559 333 HA HIS 41 HA HIS 41 4.541 -5.367 -8.370 334 1HB HIS 41 1HB HIS 41 2.782 -3.881 -7.347 335 2HB HIS 41 2HB HIS 41 4.004 -3.303 -6.237 336 HD1 HIS 41 HD1 HIS 41 5.213 -1.190 -7.021 337 HD2 HIS 41 HD2 HIS 41 3.317 -3.150 -10.169 338 HE1 HIS 41 HE1 HIS 41 5.569 0.214 -9.058 339 H ILE 42 H ILE 42 6.641 -5.515 -8.587 340 HA ILE 42 HA ILE 42 8.328 -5.268 -6.281 341 HB ILE 42 HB ILE 42 8.794 -7.034 -8.015 342 1HG1 ILE 42 1HG1 ILE 42 11.011 -4.988 -7.700 343 2HG1 ILE 42 2HG1 ILE 42 10.608 -6.251 -6.550 344 1HG2 ILE 42 1HG2 ILE 42 9.499 -4.717 -9.807 345 2HG2 ILE 42 2HG2 ILE 42 8.146 -5.824 -10.020 346 3HG2 ILE 42 3HG2 ILE 42 9.800 -6.416 -10.169 347 1HD1 ILE 42 1HD1 ILE 42 12.568 -6.834 -7.850 348 2HD1 ILE 42 2HD1 ILE 42 11.643 -6.669 -9.343 349 3HD1 ILE 42 3HD1 ILE 42 11.239 -7.942 -8.194 350 H LYS 43 H LYS 43 9.863 -3.694 -6.032 351 HA LYS 43 HA LYS 43 10.804 -1.633 -6.086 352 1HB LYS 43 1HB LYS 43 9.727 -1.393 -8.916 353 2HB LYS 43 2HB LYS 43 10.899 -0.318 -8.172 354 1HG LYS 43 1HG LYS 43 12.504 -2.110 -8.047 355 2HG LYS 43 2HG LYS 43 11.324 -3.246 -8.708 356 1HD LYS 43 1HD LYS 43 11.247 -1.892 -10.776 357 2HD LYS 43 2HD LYS 43 12.501 -0.843 -10.106 358 1HE LYS 43 1HE LYS 43 14.012 -2.770 -9.939 359 2HE LYS 43 2HE LYS 43 12.757 -3.803 -10.614 360 1HZ LYS 43 1HZ LYS 43 12.849 -2.497 -12.652 361 2HZ LYS 43 2HZ LYS 43 14.341 -3.171 -12.291 362 3HZ LYS 43 3HZ LYS 43 14.074 -1.535 -12.013 363 HA PRO 44 HA PRO 44 6.690 0.467 -5.516 364 1HB PRO 44 1HB PRO 44 5.837 -0.288 -3.100 365 2HB PRO 44 2HB PRO 44 5.555 -1.294 -4.525 366 1HG PRO 44 1HG PRO 44 7.517 -1.637 -2.329 367 2HG PRO 44 2HG PRO 44 6.673 -2.859 -3.294 368 1HD PRO 44 1HD PRO 44 9.296 -1.933 -3.684 369 2HD PRO 44 2HD PRO 44 8.339 -2.959 -4.767 370 H GLY 45 H GLY 45 6.318 2.263 -4.005 371 1HA GLY 45 1HA GLY 45 8.409 2.948 -2.091 372 2HA GLY 45 2HA GLY 45 8.340 3.974 -3.531 373 H GLU 46 H GLU 46 5.833 2.404 -1.772 374 HA GLU 46 HA GLU 46 4.415 4.881 -1.607 375 1HB GLU 46 1HB GLU 46 2.586 3.461 -1.847 376 2HB GLU 46 2HB GLU 46 3.874 2.588 -2.448 377 1HG GLU 46 1HG GLU 46 3.134 2.089 0.401 378 2HG GLU 46 2HG GLU 46 2.446 1.181 -0.933 379 H LYS 47 H LYS 47 3.442 5.503 0.230 380 HA LYS 47 HA LYS 47 3.914 4.271 2.731 381 1HB LYS 47 1HB LYS 47 5.120 6.833 1.987 382 2HB LYS 47 2HB LYS 47 4.177 6.895 3.476 383 1HG LYS 47 1HG LYS 47 6.325 4.883 2.895 384 2HG LYS 47 2HG LYS 47 6.556 6.350 3.855 385 1HD LYS 47 1HD LYS 47 5.667 5.378 5.669 386 2HD LYS 47 2HD LYS 47 4.239 4.888 4.769 387 1HE LYS 47 1HE LYS 47 6.880 3.383 4.880 388 2HE LYS 47 2HE LYS 47 5.430 2.991 5.782 389 1HZ LYS 47 1HZ LYS 47 5.566 2.975 2.799 390 2HZ LYS 47 2HZ LYS 47 4.281 2.452 3.783 391 3HZ LYS 47 3HZ LYS 47 5.726 1.630 3.788 392 H ILE 48 H ILE 48 2.008 3.688 2.705 393 HA ILE 48 HA ILE 48 -0.059 5.569 2.170 394 HB ILE 48 HB ILE 48 -1.530 3.473 2.502 395 1HG1 ILE 48 1HG1 ILE 48 1.227 2.226 2.185 396 2HG1 ILE 48 2HG1 ILE 48 0.087 1.971 3.500 397 1HG2 ILE 48 1HG2 ILE 48 -1.175 4.588 0.359 398 2HG2 ILE 48 2HG2 ILE 48 -1.128 2.840 0.130 399 3HG2 ILE 48 3HG2 ILE 48 0.372 3.764 0.161 400 1HD1 ILE 48 1HD1 ILE 48 -1.401 0.802 1.950 401 2HD1 ILE 48 2HD1 ILE 48 0.197 0.058 2.019 402 3HD1 ILE 48 3HD1 ILE 48 -0.245 1.074 0.647 403 H LEU 49 H LEU 49 -0.288 6.891 3.693 404 HA LEU 49 HA LEU 49 -1.149 7.863 5.456 405 1HB LEU 49 1HB LEU 49 -2.165 5.210 6.434 406 2HB LEU 49 2HB LEU 49 -2.724 6.793 6.903 407 HG LEU 49 HG LEU 49 -4.413 6.203 5.541 408 1HD1 LEU 49 1HD1 LEU 49 -2.570 7.341 3.520 409 2HD1 LEU 49 2HD1 LEU 49 -3.658 8.208 4.601 410 3HD1 LEU 49 3HD1 LEU 49 -4.313 7.163 3.344 411 1HD2 LEU 49 1HD2 LEU 49 -3.668 3.986 5.024 412 2HD2 LEU 49 2HD2 LEU 49 -2.508 4.614 3.860 413 3HD2 LEU 49 3HD2 LEU 49 -4.233 4.744 3.533 414 H GLY 50 H GLY 50 1.402 6.020 5.651 415 1HA GLY 50 1HA GLY 50 3.145 6.031 7.180 416 2HA GLY 50 2HA GLY 50 2.128 6.942 8.297 417 H ALA 51 H ALA 51 0.046 4.803 7.858 418 HA ALA 51 HA ALA 51 1.096 2.421 9.055 419 1HB ALA 51 1HB ALA 51 0.574 3.798 11.033 420 2HB ALA 51 2HB ALA 51 -0.616 2.507 10.868 421 3HB ALA 51 3HB ALA 51 -1.025 4.151 10.377 422 H ARG 52 H ARG 52 -0.475 0.720 8.679 423 HA ARG 52 HA ARG 52 -2.029 1.394 6.356 424 1HB ARG 52 1HB ARG 52 -0.542 -0.610 6.400 425 2HB ARG 52 2HB ARG 52 -1.632 -1.340 7.570 426 1HG ARG 52 1HG ARG 52 -2.064 -2.189 5.330 427 2HG ARG 52 2HG ARG 52 -3.449 -1.258 5.922 428 1HD ARG 52 1HD ARG 52 -2.655 0.699 4.696 429 2HD ARG 52 2HD ARG 52 -1.285 -0.232 4.100 430 HE ARG 52 HE ARG 52 -3.166 -1.664 3.117 431 1HH1 ARG 52 1HH1 ARG 52 -3.287 1.908 3.501 432 2HH1 ARG 52 2HH1 ARG 52 -4.188 2.091 2.062 433 1HH2 ARG 52 1HH2 ARG 52 -4.419 -1.196 1.094 434 2HH2 ARG 52 2HH2 ARG 52 -4.811 0.457 0.820 435 H ILE 53 H ILE 53 -4.044 2.269 6.734 436 HA ILE 53 HA ILE 53 -5.836 0.692 8.419 437 HB ILE 53 HB ILE 53 -5.863 3.721 8.045 438 1HG1 ILE 53 1HG1 ILE 53 -5.810 3.722 10.629 439 2HG1 ILE 53 2HG1 ILE 53 -5.275 2.057 10.493 440 1HG2 ILE 53 1HG2 ILE 53 -8.128 2.894 8.056 441 2HG2 ILE 53 2HG2 ILE 53 -7.813 3.766 9.558 442 3HG2 ILE 53 3HG2 ILE 53 -7.829 2.003 9.548 443 1HD1 ILE 53 1HD1 ILE 53 -3.415 3.557 10.843 444 2HD1 ILE 53 2HD1 ILE 53 -3.863 4.479 9.408 445 3HD1 ILE 53 3HD1 ILE 53 -3.311 2.812 9.248 446 H ILE 54 H ILE 54 -7.772 0.187 7.403 447 HA ILE 54 HA ILE 54 -7.892 0.894 4.581 448 HB ILE 54 HB ILE 54 -9.423 -1.212 6.147 449 1HG1 ILE 54 1HG1 ILE 54 -7.036 -1.761 6.118 450 2HG1 ILE 54 2HG1 ILE 54 -7.935 -2.872 5.095 451 1HG2 ILE 54 1HG2 ILE 54 -10.571 -0.456 4.099 452 2HG2 ILE 54 2HG2 ILE 54 -10.067 -2.140 4.021 453 3HG2 ILE 54 3HG2 ILE 54 -9.138 -0.913 3.165 454 1HD1 ILE 54 1HD1 ILE 54 -5.830 -2.246 4.075 455 2HD1 ILE 54 2HD1 ILE 54 -6.273 -0.543 4.154 456 3HD1 ILE 54 3HD1 ILE 54 -7.182 -1.643 3.114 457 H GLY 55 H GLY 55 -9.741 0.948 7.575 458 1HA GLY 55 1HA GLY 55 -11.326 2.655 8.123 459 2HA GLY 55 2HA GLY 55 -11.526 2.981 6.400 460 H ILE 56 H ILE 56 -11.594 0.164 5.846 461 HA ILE 56 HA ILE 56 -14.319 -0.528 6.699 462 HB ILE 56 HB ILE 56 -12.724 -1.282 4.232 463 1HG1 ILE 56 1HG1 ILE 56 -13.695 0.922 4.052 464 2HG1 ILE 56 2HG1 ILE 56 -14.511 -0.171 2.949 465 1HG2 ILE 56 1HG2 ILE 56 -14.683 -2.565 3.455 466 2HG2 ILE 56 2HG2 ILE 56 -15.483 -2.246 4.991 467 3HG2 ILE 56 3HG2 ILE 56 -14.014 -3.222 4.952 468 1HD1 ILE 56 1HD1 ILE 56 -16.097 1.320 4.014 469 2HD1 ILE 56 2HD1 ILE 56 -15.567 0.794 5.606 470 3HD1 ILE 56 3HD1 ILE 56 -16.388 -0.341 4.530 471 HA PRO 57 HA PRO 57 -11.841 -3.465 9.128 472 1HB PRO 57 1HB PRO 57 -14.588 -4.541 9.570 473 2HB PRO 57 2HB PRO 57 -13.324 -4.179 10.753 474 1HG PRO 57 1HG PRO 57 -15.410 -2.563 10.475 475 2HG PRO 57 2HG PRO 57 -13.785 -1.902 10.740 476 1HD PRO 57 1HD PRO 57 -15.389 -2.053 8.225 477 2HD PRO 57 2HD PRO 57 -14.302 -0.771 8.806 478 HA PRO 58 HA PRO 58 -12.269 -6.746 5.984 479 1HB PRO 58 1HB PRO 58 -9.706 -6.914 5.411 480 2HB PRO 58 2HB PRO 58 -10.595 -5.472 4.912 481 1HG PRO 58 1HG PRO 58 -8.584 -5.793 7.068 482 2HG PRO 58 2HG PRO 58 -9.011 -4.351 6.135 483 1HD PRO 58 1HD PRO 58 -9.945 -5.115 8.752 484 2HD PRO 58 2HD PRO 58 -10.354 -3.664 7.808 485 H VAL 59 H VAL 59 -10.500 -8.648 5.845 486 HA VAL 59 HA VAL 59 -10.724 -10.050 8.306 487 HB VAL 59 HB VAL 59 -9.138 -10.705 5.805 488 1HG1 VAL 59 1HG1 VAL 59 -9.880 -12.497 8.142 489 2HG1 VAL 59 2HG1 VAL 59 -8.253 -11.941 7.744 490 3HG1 VAL 59 3HG1 VAL 59 -9.100 -13.044 6.658 491 1HG2 VAL 59 1HG2 VAL 59 -10.970 -12.229 5.257 492 2HG2 VAL 59 2HG2 VAL 59 -11.551 -10.567 5.439 493 3HG2 VAL 59 3HG2 VAL 59 -11.812 -11.739 6.724 494 HA PRO 60 HA PRO 60 -7.192 -7.870 9.901 495 1HB PRO 60 1HB PRO 60 -7.215 -8.846 12.379 496 2HB PRO 60 2HB PRO 60 -8.511 -7.795 11.792 497 1HG PRO 60 1HG PRO 60 -8.462 -10.784 12.026 498 2HG PRO 60 2HG PRO 60 -9.736 -9.649 12.513 499 1HD PRO 60 1HD PRO 60 -9.796 -11.035 10.170 500 2HD PRO 60 2HD PRO 60 -10.534 -9.432 10.377 501 H ILE 61 H ILE 61 -6.388 -10.196 8.292 502 HA ILE 61 HA ILE 61 -4.295 -11.221 10.070 503 HB ILE 61 HB ILE 61 -5.550 -12.658 7.685 504 1HG1 ILE 61 1HG1 ILE 61 -5.756 -13.285 10.638 505 2HG1 ILE 61 2HG1 ILE 61 -7.025 -12.546 9.670 506 1HG2 ILE 61 1HG2 ILE 61 -3.149 -13.230 8.008 507 2HG2 ILE 61 2HG2 ILE 61 -4.208 -14.598 8.343 508 3HG2 ILE 61 3HG2 ILE 61 -3.506 -13.686 9.676 509 1HD1 ILE 61 1HD1 ILE 61 -7.168 -14.573 8.319 510 2HD1 ILE 61 2HD1 ILE 61 -7.429 -14.917 10.029 511 3HD1 ILE 61 3HD1 ILE 61 -5.881 -15.304 9.277 512 H GLY 62 H GLY 62 -2.139 -11.345 9.112 513 1HA GLY 62 1HA GLY 62 -1.481 -10.867 6.531 514 2HA GLY 62 2HA GLY 62 -1.703 -9.256 7.198 515 H ILE 63 H ILE 63 0.689 -10.863 6.262 516 HA ILE 63 HA ILE 63 2.321 -10.623 8.689 517 HB ILE 63 HB ILE 63 2.652 -12.559 6.383 518 1HG1 ILE 63 1HG1 ILE 63 1.817 -13.107 9.243 519 2HG1 ILE 63 2HG1 ILE 63 0.725 -13.075 7.866 520 1HG2 ILE 63 1HG2 ILE 63 4.790 -11.905 7.348 521 2HG2 ILE 63 2HG2 ILE 63 4.408 -13.575 7.774 522 3HG2 ILE 63 3HG2 ILE 63 4.196 -12.291 8.963 523 1HD1 ILE 63 1HD1 ILE 63 1.890 -14.968 6.892 524 2HD1 ILE 63 2HD1 ILE 63 1.323 -15.345 8.522 525 3HD1 ILE 63 3HD1 ILE 63 3.024 -14.969 8.240 526 H ASP 64 H ASP 64 3.605 -8.898 8.448 527 HA ASP 64 HA ASP 64 4.495 -8.059 5.781 528 1HB ASP 64 1HB ASP 64 5.000 -6.738 8.479 529 2HB ASP 64 2HB ASP 64 5.392 -6.054 6.910 530 H GLU 65 H GLU 65 6.207 -9.213 5.098 531 HA GLU 65 HA GLU 65 7.904 -10.555 6.923 532 1HB GLU 65 1HB GLU 65 7.955 -10.244 3.940 533 2HB GLU 65 2HB GLU 65 9.112 -11.220 4.836 534 1HG GLU 65 1HG GLU 65 6.139 -11.635 4.984 535 2HG GLU 65 2HG GLU 65 7.183 -12.465 3.830 536 H GLU 66 H GLU 66 8.656 -8.179 4.427 537 HA GLU 66 HA GLU 66 10.441 -6.718 6.040 538 1HB GLU 66 1HB GLU 66 11.668 -8.931 5.696 539 2HB GLU 66 2HB GLU 66 11.665 -8.617 3.983 540 1HG GLU 66 1HG GLU 66 12.983 -6.657 5.784 541 2HG GLU 66 2HG GLU 66 13.776 -8.203 5.489 542 H ARG 67 H ARG 67 11.863 -5.341 4.123 543 HA ARG 67 HA ARG 67 9.658 -4.212 2.597 544 1HB ARG 67 1HB ARG 67 11.637 -3.031 4.025 545 2HB ARG 67 2HB ARG 67 12.357 -3.009 2.426 546 1HG ARG 67 1HG ARG 67 9.727 -1.768 3.236 547 2HG ARG 67 2HG ARG 67 11.221 -0.922 2.834 548 1HD ARG 67 1HD ARG 67 11.102 -1.778 0.586 549 2HD ARG 67 2HD ARG 67 9.615 -2.643 0.961 550 HE ARG 67 HE ARG 67 9.931 0.282 0.915 551 1HH1 ARG 67 1HH1 ARG 67 7.730 -2.554 0.705 552 2HH1 ARG 67 2HH1 ARG 67 6.458 -1.603 0.079 553 1HH2 ARG 67 1HH2 ARG 67 8.085 1.473 -0.029 554 2HH2 ARG 67 2HH2 ARG 67 6.663 0.591 -0.379 555 H SER 68 H SER 68 12.844 -5.647 2.169 556 HA SER 68 HA SER 68 12.584 -5.564 -0.695 557 1HB SER 68 1HB SER 68 14.752 -4.991 0.307 558 2HB SER 68 2HB SER 68 14.818 -6.543 1.128 559 HG SER 68 HG SER 68 14.729 -7.439 -1.054 560 H THR 69 H THR 69 10.814 -7.010 0.892 561 HA THR 69 HA THR 69 10.910 -9.623 -0.348 562 HB THR 69 HB THR 69 10.307 -9.250 2.608 563 HG1 THR 69 HG1 THR 69 12.645 -9.014 2.172 564 1HG2 THR 69 1HG2 THR 69 10.759 -11.788 1.015 565 2HG2 THR 69 2HG2 THR 69 9.193 -11.178 1.544 566 3HG2 THR 69 3HG2 THR 69 10.377 -11.702 2.736 567 H VAL 70 H VAL 70 8.675 -10.528 -0.261 568 HA VAL 70 HA VAL 70 6.626 -8.513 -0.686 569 HB VAL 70 HB VAL 70 5.151 -10.470 -1.116 570 1HG1 VAL 70 1HG1 VAL 70 6.302 -9.535 -2.986 571 2HG1 VAL 70 2HG1 VAL 70 6.277 -11.291 -3.147 572 3HG1 VAL 70 3HG1 VAL 70 7.750 -10.472 -2.622 573 1HG2 VAL 70 1HG2 VAL 70 6.121 -12.721 -1.266 574 2HG2 VAL 70 2HG2 VAL 70 6.149 -12.094 0.381 575 3HG2 VAL 70 3HG2 VAL 70 7.625 -12.112 -0.579 576 H MET 71 H MET 71 4.916 -8.123 0.550 577 HA MET 71 HA MET 71 4.956 -9.374 3.195 578 1HB MET 71 1HB MET 71 3.517 -7.569 4.006 579 2HB MET 71 2HB MET 71 4.895 -6.854 3.194 580 1HG MET 71 1HG MET 71 3.477 -6.397 1.245 581 2HG MET 71 2HG MET 71 2.107 -7.130 2.080 582 1HE MET 71 1HE MET 71 0.605 -4.927 1.814 583 2HE MET 71 2HE MET 71 1.911 -4.179 0.899 584 3HE MET 71 3HE MET 71 1.168 -3.313 2.244 585 H ILE 72 H ILE 72 3.203 -10.608 3.855 586 HA ILE 72 HA ILE 72 1.382 -11.251 1.635 587 HB ILE 72 HB ILE 72 2.134 -13.070 3.948 588 1HG1 ILE 72 1HG1 ILE 72 4.102 -12.691 2.511 589 2HG1 ILE 72 2HG1 ILE 72 3.513 -14.339 2.360 590 1HG2 ILE 72 1HG2 ILE 72 0.649 -13.626 1.377 591 2HG2 ILE 72 2HG2 ILE 72 -0.047 -13.568 2.997 592 3HG2 ILE 72 3HG2 ILE 72 1.101 -14.839 2.575 593 1HD1 ILE 72 1HD1 ILE 72 4.168 -13.458 0.205 594 2HD1 ILE 72 2HD1 ILE 72 3.071 -12.094 0.402 595 3HD1 ILE 72 3HD1 ILE 72 2.424 -13.727 0.240 596 HA PRO 73 HA PRO 73 -1.333 -9.682 4.897 597 1HB PRO 73 1HB PRO 73 -2.813 -8.179 3.015 598 2HB PRO 73 2HB PRO 73 -1.632 -7.571 4.174 599 1HG PRO 73 1HG PRO 73 -1.317 -7.549 1.409 600 2HG PRO 73 2HG PRO 73 -0.008 -7.400 2.590 601 1HD PRO 73 1HD PRO 73 -0.932 -9.811 1.079 602 2HD PRO 73 2HD PRO 73 0.720 -9.295 1.503 603 H TYR 74 H TYR 74 -3.352 -10.340 5.416 604 HA TYR 74 HA TYR 74 -4.846 -11.736 3.380 605 1HB TYR 74 1HB TYR 74 -4.280 -12.542 6.209 606 2HB TYR 74 2HB TYR 74 -5.690 -13.179 5.354 607 HD1 TYR 74 HD1 TYR 74 -2.138 -13.438 5.900 608 HD2 TYR 74 HD2 TYR 74 -5.298 -14.474 3.255 609 HE1 TYR 74 HE1 TYR 74 -0.724 -15.175 4.889 610 HE2 TYR 74 HE2 TYR 74 -3.904 -16.203 2.247 611 HH TYR 74 HH TYR 74 -1.002 -17.254 3.629 612 H THR 75 H THR 75 -5.066 -9.142 3.816 613 HA THR 75 HA THR 75 -7.397 -8.829 5.471 614 HB THR 75 HB THR 75 -7.144 -6.462 4.982 615 HG1 THR 75 HG1 THR 75 -5.862 -6.912 2.997 616 1HG2 THR 75 1HG2 THR 75 -6.163 -7.344 7.009 617 2HG2 THR 75 2HG2 THR 75 -5.111 -6.082 6.366 618 3HG2 THR 75 3HG2 THR 75 -4.691 -7.781 6.142 619 H LYS 76 H LYS 76 -9.178 -9.281 4.395 620 HA LYS 76 HA LYS 76 -9.390 -8.763 1.518 621 1HB LYS 76 1HB LYS 76 -9.946 -11.030 2.321 622 2HB LYS 76 2HB LYS 76 -11.149 -10.355 3.397 623 1HG LYS 76 1HG LYS 76 -12.210 -11.353 1.471 624 2HG LYS 76 2HG LYS 76 -12.451 -9.609 1.459 625 1HD LYS 76 1HD LYS 76 -10.800 -9.318 -0.240 626 2HD LYS 76 2HD LYS 76 -10.287 -11.005 -0.105 627 1HE LYS 76 1HE LYS 76 -12.423 -11.761 -0.917 628 2HE LYS 76 2HE LYS 76 -13.038 -10.112 -0.960 629 1HZ LYS 76 1HZ LYS 76 -12.333 -10.997 -3.133 630 2HZ LYS 76 2HZ LYS 76 -10.721 -11.024 -2.584 631 3HZ LYS 76 3HZ LYS 76 -11.580 -9.577 -2.681 632 HA PRO 77 HA PRO 77 -12.076 -5.423 3.028 633 1HB PRO 77 1HB PRO 77 -10.882 -3.401 1.743 634 2HB PRO 77 2HB PRO 77 -10.167 -4.121 3.189 635 1HG PRO 77 1HG PRO 77 -9.259 -4.291 0.402 636 2HG PRO 77 2HG PRO 77 -8.377 -4.652 1.893 637 1HD PRO 77 1HD PRO 77 -9.777 -6.485 0.087 638 2HD PRO 77 2HD PRO 77 -8.645 -6.852 1.408 639 H CYS 78 H CYS 78 -12.849 -3.383 1.404 640 HA CYS 78 HA CYS 78 -14.559 -4.652 -0.474 641 1HB CYS 78 1HB CYS 78 -15.249 -2.719 0.910 642 2HB CYS 78 2HB CYS 78 -14.065 -1.714 0.091 643 HG CYS 78 HG CYS 78 -15.318 -1.584 -2.280 644 H TYR 79 H TYR 79 -11.448 -3.238 -0.635 645 HA TYR 79 HA TYR 79 -11.712 -2.782 -3.478 646 1HB TYR 79 1HB TYR 79 -10.683 -1.018 -2.051 647 2HB TYR 79 2HB TYR 79 -9.361 -2.111 -1.697 648 HD1 TYR 79 HD1 TYR 79 -7.546 -2.389 -3.281 649 HD2 TYR 79 HD2 TYR 79 -10.972 -0.087 -4.304 650 HE1 TYR 79 HE1 TYR 79 -6.337 -1.471 -5.213 651 HE2 TYR 79 HE2 TYR 79 -9.772 0.834 -6.245 652 HH TYR 79 HH TYR 79 -7.522 1.226 -6.996 653 H GLY 80 H GLY 80 -8.755 -3.907 -1.783 654 1HA GLY 80 1HA GLY 80 -8.840 -6.547 -2.699 655 2HA GLY 80 2HA GLY 80 -7.897 -5.549 -3.809 656 H THR 81 H THR 81 -6.361 -7.290 -2.781 657 HA THR 81 HA THR 81 -5.237 -6.200 -0.315 658 HB THR 81 HB THR 81 -4.693 -8.885 -1.553 659 HG1 THR 81 HG1 THR 81 -6.597 -8.296 0.534 660 1HG2 THR 81 1HG2 THR 81 -4.397 -7.853 1.273 661 2HG2 THR 81 2HG2 THR 81 -3.085 -8.130 0.129 662 3HG2 THR 81 3HG2 THR 81 -4.020 -9.493 0.743 663 H ALA 82 H ALA 82 -3.029 -5.825 -0.238 664 HA ALA 82 HA ALA 82 -1.799 -5.436 -2.890 665 1HB ALA 82 1HB ALA 82 -0.800 -3.409 -1.996 666 2HB ALA 82 2HB ALA 82 -1.560 -3.711 -0.437 667 3HB ALA 82 3HB ALA 82 -2.559 -3.358 -1.845 668 H VAL 83 H VAL 83 -0.002 -6.642 -3.154 669 HA VAL 83 HA VAL 83 1.743 -7.176 -0.835 670 HB VAL 83 HB VAL 83 1.648 -8.554 -3.553 671 1HG1 VAL 83 1HG1 VAL 83 3.102 -10.218 -2.531 672 2HG1 VAL 83 2HG1 VAL 83 3.079 -9.313 -1.019 673 3HG1 VAL 83 3HG1 VAL 83 3.834 -8.613 -2.448 674 1HG2 VAL 83 1HG2 VAL 83 -0.388 -9.052 -2.309 675 2HG2 VAL 83 2HG2 VAL 83 0.572 -9.537 -0.911 676 3HG2 VAL 83 3HG2 VAL 83 0.649 -10.475 -2.403 677 H VAL 84 H VAL 84 3.488 -5.943 -0.759 678 HA VAL 84 HA VAL 84 4.414 -4.641 -3.222 679 HB VAL 84 HB VAL 84 5.356 -2.900 -1.765 680 1HG1 VAL 84 1HG1 VAL 84 3.146 -2.560 -2.670 681 2HG1 VAL 84 2HG1 VAL 84 3.243 -1.856 -1.055 682 3HG1 VAL 84 3HG1 VAL 84 2.427 -3.402 -1.300 683 1HG2 VAL 84 1HG2 VAL 84 5.714 -4.189 0.268 684 2HG2 VAL 84 2HG2 VAL 84 3.976 -4.345 0.501 685 3HG2 VAL 84 3HG2 VAL 84 4.744 -2.759 0.614 686 H GLU 85 H GLU 85 6.730 -4.866 -3.670 687 HA GLU 85 HA GLU 85 8.422 -6.097 -1.636 688 1HB GLU 85 1HB GLU 85 7.551 -7.994 -2.928 689 2HB GLU 85 2HB GLU 85 8.131 -7.252 -4.417 690 1HG GLU 85 1HG GLU 85 10.437 -7.302 -3.351 691 2HG GLU 85 2HG GLU 85 9.736 -8.373 -2.143 692 H LEU 86 H LEU 86 10.185 -4.783 -1.578 693 HA LEU 86 HA LEU 86 10.881 -3.250 -3.973 694 1HB LEU 86 1HB LEU 86 10.556 -2.177 -1.711 695 2HB LEU 86 2HB LEU 86 11.928 -3.089 -1.136 696 HG LEU 86 HG LEU 86 13.318 -1.861 -2.845 697 1HD1 LEU 86 1HD1 LEU 86 12.471 0.217 -3.738 698 2HD1 LEU 86 2HD1 LEU 86 10.884 -0.125 -3.052 699 3HD1 LEU 86 3HD1 LEU 86 11.535 -1.158 -4.322 700 1HD2 LEU 86 1HD2 LEU 86 13.370 -1.254 -0.493 701 2HD2 LEU 86 2HD2 LEU 86 11.936 -0.250 -0.707 702 3HD2 LEU 86 3HD2 LEU 86 13.443 0.199 -1.493 703 HA PRO 87 HA PRO 87 14.473 -6.020 -4.256 704 1HB PRO 87 1HB PRO 87 15.621 -5.061 -6.446 705 2HB PRO 87 2HB PRO 87 14.020 -5.814 -6.538 706 1HG PRO 87 1HG PRO 87 14.755 -2.925 -6.549 707 2HG PRO 87 2HG PRO 87 13.525 -3.781 -7.499 708 1HD PRO 87 1HD PRO 87 13.054 -2.321 -5.158 709 2HD PRO 87 2HD PRO 87 11.953 -3.520 -5.865 710 H VAL 88 H VAL 88 14.466 -2.902 -3.388 711 HA VAL 88 HA VAL 88 17.351 -2.455 -3.311 712 HB VAL 88 HB VAL 88 15.167 -0.648 -2.281 713 1HG1 VAL 88 1HG1 VAL 88 18.009 -0.030 -3.047 714 2HG1 VAL 88 2HG1 VAL 88 17.336 -0.069 -1.418 715 3HG1 VAL 88 3HG1 VAL 88 16.811 1.170 -2.558 716 1HG2 VAL 88 1HG2 VAL 88 16.398 -0.602 -5.034 717 2HG2 VAL 88 2HG2 VAL 88 15.316 0.633 -4.390 718 3HG2 VAL 88 3HG2 VAL 88 14.730 -1.013 -4.640 719 H ASP 89 H ASP 89 18.288 -1.952 -1.272 720 HA ASP 89 HA ASP 89 17.728 -3.891 0.621 721 1HB ASP 89 1HB ASP 89 19.538 -1.498 0.660 722 2HB ASP 89 2HB ASP 89 19.416 -2.611 2.017 723 HA PRO 90 HA PRO 90 14.708 -2.286 3.354 724 1HB PRO 90 1HB PRO 90 15.764 -3.120 5.778 725 2HB PRO 90 2HB PRO 90 14.822 -4.134 4.684 726 1HG PRO 90 1HG PRO 90 17.789 -3.935 4.992 727 2HG PRO 90 2HG PRO 90 16.780 -5.375 4.766 728 1HD PRO 90 1HD PRO 90 18.165 -4.341 2.738 729 2HD PRO 90 2HD PRO 90 16.535 -4.997 2.486 730 H GLU 91 H GLU 91 17.897 -1.156 3.411 731 HA GLU 91 HA GLU 91 17.938 0.636 5.560 732 1HB GLU 91 1HB GLU 91 19.600 1.914 4.231 733 2HB GLU 91 2HB GLU 91 19.957 0.199 4.244 734 1HG GLU 91 1HG GLU 91 19.019 -0.032 2.016 735 2HG GLU 91 2HG GLU 91 18.585 1.671 1.995 736 H GLU 92 H GLU 92 16.331 0.714 2.512 737 HA GLU 92 HA GLU 92 15.698 3.415 2.249 738 1HB GLU 92 1HB GLU 92 14.616 0.881 1.173 739 2HB GLU 92 2HB GLU 92 13.579 2.294 1.079 740 1HG GLU 92 1HG GLU 92 16.405 2.374 0.098 741 2HG GLU 92 2HG GLU 92 15.096 1.762 -0.911 742 H ILE 93 H ILE 93 14.400 1.019 4.387 743 HA ILE 93 HA ILE 93 11.818 2.060 4.812 744 HB ILE 93 HB ILE 93 13.633 0.669 6.763 745 1HG1 ILE 93 1HG1 ILE 93 11.387 -0.481 5.096 746 2HG1 ILE 93 2HG1 ILE 93 13.108 -0.706 4.799 747 1HG2 ILE 93 1HG2 ILE 93 11.871 1.843 7.990 748 2HG2 ILE 93 2HG2 ILE 93 11.566 0.107 8.059 749 3HG2 ILE 93 3HG2 ILE 93 10.636 1.121 6.956 750 1HD1 ILE 93 1HD1 ILE 93 13.319 -1.899 6.925 751 2HD1 ILE 93 2HD1 ILE 93 12.130 -2.676 5.885 752 3HD1 ILE 93 3HD1 ILE 93 11.602 -1.666 7.228 753 H GLU 94 H GLU 94 14.912 2.948 6.244 754 HA GLU 94 HA GLU 94 13.912 4.643 8.285 755 1HB GLU 94 1HB GLU 94 16.272 3.897 8.163 756 2HB GLU 94 2HB GLU 94 16.498 4.897 6.737 757 1HG GLU 94 1HG GLU 94 15.947 6.886 8.117 758 2HG GLU 94 2HG GLU 94 15.909 5.834 9.531 759 H ARG 95 H ARG 95 14.945 5.284 5.023 760 HA ARG 95 HA ARG 95 14.432 8.047 4.941 761 1HB ARG 95 1HB ARG 95 15.936 6.714 3.413 762 2HB ARG 95 2HB ARG 95 14.512 6.009 2.691 763 1HG ARG 95 1HG ARG 95 15.009 8.971 2.644 764 2HG ARG 95 2HG ARG 95 15.708 7.890 1.446 765 1HD ARG 95 1HD ARG 95 12.758 8.157 2.018 766 2HD ARG 95 2HD ARG 95 13.609 8.980 0.715 767 HE ARG 95 HE ARG 95 14.113 6.243 0.462 768 1HH1 ARG 95 1HH1 ARG 95 11.389 8.510 0.180 769 2HH1 ARG 95 2HH1 ARG 95 10.546 7.555 -0.949 770 1HH2 ARG 95 1HH2 ARG 95 12.979 5.005 -1.179 771 2HH2 ARG 95 2HH2 ARG 95 11.447 5.550 -1.724 772 H ILE 96 H ILE 96 12.588 5.198 4.066 773 HA ILE 96 HA ILE 96 10.346 6.557 3.012 774 HB ILE 96 HB ILE 96 10.764 3.684 3.880 775 1HG1 ILE 96 1HG1 ILE 96 10.610 4.947 1.135 776 2HG1 ILE 96 2HG1 ILE 96 12.078 4.421 1.944 777 1HG2 ILE 96 1HG2 ILE 96 8.699 3.116 2.700 778 2HG2 ILE 96 2HG2 ILE 96 8.440 4.820 2.334 779 3HG2 ILE 96 3HG2 ILE 96 8.380 4.264 4.008 780 1HD1 ILE 96 1HD1 ILE 96 9.810 2.642 1.060 781 2HD1 ILE 96 2HD1 ILE 96 11.286 2.106 1.862 782 3HD1 ILE 96 3HD1 ILE 96 11.368 2.825 0.253 783 H LEU 97 H LEU 97 11.222 5.568 6.225 784 HA LEU 97 HA LEU 97 8.651 5.674 7.409 785 1HB LEU 97 1HB LEU 97 10.575 4.475 8.381 786 2HB LEU 97 2HB LEU 97 11.388 5.999 8.643 787 HG LEU 97 HG LEU 97 9.590 6.637 10.239 788 1HD1 LEU 97 1HD1 LEU 97 8.095 4.890 11.085 789 2HD1 LEU 97 2HD1 LEU 97 8.666 3.797 9.823 790 3HD1 LEU 97 3HD1 LEU 97 7.786 5.262 9.390 791 1HD2 LEU 97 1HD2 LEU 97 11.015 4.051 10.851 792 2HD2 LEU 97 2HD2 LEU 97 10.352 5.175 12.039 793 3HD2 LEU 97 3HD2 LEU 97 11.696 5.668 11.011 794 H GLU 98 H GLU 98 11.117 8.012 6.708 795 HA GLU 98 HA GLU 98 9.956 10.117 8.293 796 1HB GLU 98 1HB GLU 98 12.381 9.973 7.524 797 2HB GLU 98 2HB GLU 98 11.777 10.368 5.921 798 1HG GLU 98 1HG GLU 98 10.817 12.446 6.796 799 2HG GLU 98 2HG GLU 98 11.537 12.101 8.364 800 H VAL 99 H VAL 99 9.771 8.854 5.116 801 HA VAL 99 HA VAL 99 8.164 10.981 4.018 802 HB VAL 99 HB VAL 99 9.295 8.398 2.877 803 1HG1 VAL 99 1HG1 VAL 99 8.760 9.283 0.616 804 2HG1 VAL 99 2HG1 VAL 99 7.992 10.691 1.347 805 3HG1 VAL 99 3HG1 VAL 99 7.281 9.090 1.560 806 1HG2 VAL 99 1HG2 VAL 99 10.145 11.257 2.493 807 2HG2 VAL 99 2HG2 VAL 99 10.859 9.854 1.693 808 3HG2 VAL 99 3HG2 VAL 99 10.972 10.024 3.445 809 H ALA 100 H ALA 100 7.424 8.908 6.201 810 HA ALA 100 HA ALA 100 5.352 7.240 5.435 811 1HB ALA 100 1HB ALA 100 5.489 8.823 7.992 812 2HB ALA 100 2HB ALA 100 6.308 7.289 7.705 813 3HB ALA 100 3HB ALA 100 4.545 7.360 7.731 814 H GLU 101 H GLU 101 5.108 10.615 6.377 815 HA GLU 101 HA GLU 101 2.671 10.744 4.837 816 1HB GLU 101 1HB GLU 101 3.098 11.919 7.581 817 2HB GLU 101 2HB GLU 101 1.773 12.387 6.535 818 1HG GLU 101 1HG GLU 101 0.890 10.124 6.636 819 2HG GLU 101 2HG GLU 101 2.262 9.626 7.632 820 HA PRO 102 HA PRO 102 5.727 13.994 3.605 821 1HB PRO 102 1HB PRO 102 4.557 13.666 0.941 822 2HB PRO 102 2HB PRO 102 6.226 13.410 1.460 823 1HG PRO 102 1HG PRO 102 4.630 11.357 0.764 824 2HG PRO 102 2HG PRO 102 5.845 11.213 2.046 825 1HD PRO 102 1HD PRO 102 2.893 11.683 2.302 826 2HD PRO 102 2HD PRO 102 3.938 10.546 3.186 Start of MODEL 12 1 H HIS 1 H HIS 1 1.641 6.808 -12.584 2 HA HIS 1 HA HIS 1 -0.843 6.436 -11.068 3 1HB HIS 1 1HB HIS 1 1.467 4.519 -11.516 4 2HB HIS 1 2HB HIS 1 0.138 4.260 -10.400 5 HD1 HIS 1 HD1 HIS 1 1.042 4.010 -14.013 6 HD2 HIS 1 HD2 HIS 1 -2.325 3.630 -11.600 7 HE1 HIS 1 HE1 HIS 1 -0.686 2.858 -15.408 8 H MET 2 H MET 2 -0.543 7.979 -9.568 9 HA MET 2 HA MET 2 1.387 7.490 -7.526 10 1HB MET 2 1HB MET 2 1.288 10.171 -8.943 11 2HB MET 2 2HB MET 2 2.017 9.908 -7.373 12 1HG MET 2 1HG MET 2 3.676 8.420 -8.433 13 2HG MET 2 2HG MET 2 2.956 8.775 -10.001 14 1HE MET 2 1HE MET 2 3.619 12.663 -10.265 15 2HE MET 2 2HE MET 2 2.210 11.923 -9.522 16 3HE MET 2 3HE MET 2 2.863 11.269 -11.027 17 H THR 3 H THR 3 0.275 7.715 -5.719 18 HA THR 3 HA THR 3 -2.312 9.084 -5.835 19 HB THR 3 HB THR 3 -1.233 7.087 -3.825 20 HG1 THR 3 HG1 THR 3 -2.951 5.808 -4.882 21 1HG2 THR 3 1HG2 THR 3 -4.035 8.148 -4.208 22 2HG2 THR 3 2HG2 THR 3 -2.945 8.613 -2.904 23 3HG2 THR 3 3HG2 THR 3 -3.528 6.952 -3.016 24 H PHE 4 H PHE 4 -2.229 11.146 -5.085 25 HA PHE 4 HA PHE 4 -0.699 11.494 -2.645 26 1HB PHE 4 1HB PHE 4 -0.797 13.511 -4.894 27 2HB PHE 4 2HB PHE 4 -0.124 13.854 -3.305 28 HD1 PHE 4 HD1 PHE 4 0.685 12.794 -6.527 29 HD2 PHE 4 HD2 PHE 4 1.588 12.079 -2.444 30 HE1 PHE 4 HE1 PHE 4 2.790 11.732 -7.174 31 HE2 PHE 4 HE2 PHE 4 3.694 11.016 -3.093 32 HZ PHE 4 HZ PHE 4 4.278 10.811 -5.441 33 H CYS 5 H CYS 5 -3.597 11.254 -3.549 34 HA CYS 5 HA CYS 5 -4.561 13.140 -1.580 35 1HB CYS 5 1HB CYS 5 -5.753 12.744 -4.336 36 2HB CYS 5 2HB CYS 5 -6.566 13.617 -3.048 37 HG CYS 5 HG CYS 5 -3.622 14.890 -3.283 38 H LEU 6 H LEU 6 -5.225 11.678 -0.018 39 HA LEU 6 HA LEU 6 -5.971 9.121 -0.892 40 1HB LEU 6 1HB LEU 6 -5.958 8.297 1.304 41 2HB LEU 6 2HB LEU 6 -4.641 9.429 1.214 42 HG LEU 6 HG LEU 6 -5.491 9.588 3.342 43 1HD1 LEU 6 1HD1 LEU 6 -6.784 11.872 1.942 44 2HD1 LEU 6 2HD1 LEU 6 -5.112 11.769 2.493 45 3HD1 LEU 6 3HD1 LEU 6 -6.430 11.791 3.664 46 1HD2 LEU 6 1HD2 LEU 6 -7.530 8.347 3.163 47 2HD2 LEU 6 2HD2 LEU 6 -8.297 9.640 2.247 48 3HD2 LEU 6 3HD2 LEU 6 -7.902 9.885 3.945 49 H GLU 7 H GLU 7 -7.577 11.927 0.354 50 HA GLU 7 HA GLU 7 -10.065 10.715 0.936 51 1HB GLU 7 1HB GLU 7 -9.447 12.655 2.119 52 2HB GLU 7 2HB GLU 7 -9.141 13.594 0.691 53 1HG GLU 7 1HG GLU 7 -11.173 14.410 1.574 54 2HG GLU 7 2HG GLU 7 -11.633 13.341 0.246 55 H THR 8 H THR 8 -8.570 12.015 -1.878 56 HA THR 8 HA THR 8 -10.974 12.208 -3.360 57 HB THR 8 HB THR 8 -8.143 12.029 -4.426 58 HG1 THR 8 HG1 THR 8 -9.521 14.444 -4.099 59 1HG2 THR 8 1HG2 THR 8 -9.895 11.780 -6.132 60 2HG2 THR 8 2HG2 THR 8 -9.070 13.331 -6.305 61 3HG2 THR 8 3HG2 THR 8 -10.665 13.259 -5.563 62 H TYR 9 H TYR 9 -8.710 9.687 -2.538 63 HA TYR 9 HA TYR 9 -9.442 7.944 -4.655 64 1HB TYR 9 1HB TYR 9 -7.520 7.905 -2.558 65 2HB TYR 9 2HB TYR 9 -8.476 6.426 -2.451 66 HD1 TYR 9 HD1 TYR 9 -6.256 8.407 -4.567 67 HD2 TYR 9 HD2 TYR 9 -8.397 4.767 -4.173 68 HE1 TYR 9 HE1 TYR 9 -5.028 7.491 -6.484 69 HE2 TYR 9 HE2 TYR 9 -7.172 3.833 -6.081 70 HH TYR 9 HH TYR 9 -4.408 5.111 -7.264 71 H LEU 10 H LEU 10 -10.698 8.770 -1.613 72 HA LEU 10 HA LEU 10 -12.354 6.578 -1.062 73 1HB LEU 10 1HB LEU 10 -11.865 8.828 0.355 74 2HB LEU 10 2HB LEU 10 -13.144 9.440 -0.610 75 HG LEU 10 HG LEU 10 -13.633 7.026 1.117 76 1HD1 LEU 10 1HD1 LEU 10 -14.556 8.575 2.774 77 2HD1 LEU 10 2HD1 LEU 10 -13.935 9.932 1.834 78 3HD1 LEU 10 3HD1 LEU 10 -12.818 8.778 2.563 79 1HD2 LEU 10 1HD2 LEU 10 -15.463 9.150 -0.011 80 2HD2 LEU 10 2HD2 LEU 10 -15.952 7.784 0.992 81 3HD2 LEU 10 3HD2 LEU 10 -15.299 7.504 -0.624 82 H GLN 11 H GLN 11 -12.714 9.466 -3.001 83 HA GLN 11 HA GLN 11 -15.394 9.139 -3.867 84 1HB GLN 11 1HB GLN 11 -13.105 10.646 -5.110 85 2HB GLN 11 2HB GLN 11 -14.805 10.862 -5.485 86 1HG GLN 11 1HG GLN 11 -15.218 11.746 -3.299 87 2HG GLN 11 2HG GLN 11 -13.569 11.372 -2.797 88 1HE2 GLN 11 1HE2 GLN 11 -13.128 13.485 -2.326 89 2HE2 GLN 11 2HE2 GLN 11 -12.885 14.684 -3.548 90 H GLN 12 H GLN 12 -12.245 8.208 -5.061 91 HA GLN 12 HA GLN 12 -13.168 7.491 -7.619 92 1HB GLN 12 1HB GLN 12 -10.555 6.938 -6.249 93 2HB GLN 12 2HB GLN 12 -10.911 6.393 -7.878 94 1HG GLN 12 1HG GLN 12 -11.277 8.735 -8.553 95 2HG GLN 12 2HG GLN 12 -10.830 9.244 -6.926 96 1HE2 GLN 12 1HE2 GLN 12 -9.706 7.836 -9.886 97 2HE2 GLN 12 2HE2 GLN 12 -8.018 8.063 -9.593 98 H SER 13 H SER 13 -12.686 5.712 -4.623 99 HA SER 13 HA SER 13 -14.203 3.591 -5.734 100 1HB SER 13 1HB SER 13 -11.942 3.132 -6.692 101 2HB SER 13 2HB SER 13 -11.306 3.017 -5.057 102 HG SER 13 HG SER 13 -12.523 1.172 -4.725 103 H GLY 14 H GLY 14 -11.812 4.317 -3.229 104 1HA GLY 14 1HA GLY 14 -13.450 4.377 -1.072 105 2HA GLY 14 2HA GLY 14 -13.000 2.678 -1.274 106 H GLU 15 H GLU 15 -12.116 3.765 0.935 107 HA GLU 15 HA GLU 15 -9.617 5.058 0.531 108 1HB GLU 15 1HB GLU 15 -10.834 3.920 3.037 109 2HB GLU 15 2HB GLU 15 -9.385 4.917 2.980 110 1HG GLU 15 1HG GLU 15 -10.669 6.764 2.088 111 2HG GLU 15 2HG GLU 15 -12.120 5.764 2.075 112 H TYR 16 H TYR 16 -7.635 4.285 0.726 113 HA TYR 16 HA TYR 16 -7.121 1.462 1.353 114 1HB TYR 16 1HB TYR 16 -7.248 1.711 -1.098 115 2HB TYR 16 2HB TYR 16 -6.143 3.065 -1.039 116 HD1 TYR 16 HD1 TYR 16 -3.791 2.713 -1.080 117 HD2 TYR 16 HD2 TYR 16 -6.407 -0.608 -0.657 118 HE1 TYR 16 HE1 TYR 16 -1.921 1.191 -1.554 119 HE2 TYR 16 HE2 TYR 16 -4.540 -2.139 -1.131 120 HH TYR 16 HH TYR 16 -1.279 -1.126 -1.202 121 H GLU 17 H GLU 17 -6.828 4.462 2.305 122 HA GLU 17 HA GLU 17 -4.231 4.313 3.416 123 1HB GLU 17 1HB GLU 17 -5.145 6.609 1.658 124 2HB GLU 17 2HB GLU 17 -3.647 6.582 2.571 125 1HG GLU 17 1HG GLU 17 -2.755 4.885 1.135 126 2HG GLU 17 2HG GLU 17 -4.322 4.694 0.347 127 H ILE 18 H ILE 18 -4.370 5.621 5.310 128 HA ILE 18 HA ILE 18 -7.069 6.382 5.964 129 HB ILE 18 HB ILE 18 -5.690 5.133 7.673 130 1HG1 ILE 18 1HG1 ILE 18 -6.704 7.811 8.666 131 2HG1 ILE 18 2HG1 ILE 18 -7.714 6.407 8.344 132 1HG2 ILE 18 1HG2 ILE 18 -3.562 6.119 7.461 133 2HG2 ILE 18 2HG2 ILE 18 -4.141 6.502 9.087 134 3HG2 ILE 18 3HG2 ILE 18 -4.196 7.726 7.822 135 1HD1 ILE 18 1HD1 ILE 18 -6.564 5.183 10.113 136 2HD1 ILE 18 2HD1 ILE 18 -7.280 6.676 10.715 137 3HD1 ILE 18 3HD1 ILE 18 -5.543 6.589 10.418 138 H HIS 19 H HIS 19 -7.497 8.576 7.076 139 HA HIS 19 HA HIS 19 -6.623 10.624 5.338 140 1HB HIS 19 1HB HIS 19 -8.884 10.689 6.333 141 2HB HIS 19 2HB HIS 19 -8.178 10.897 7.932 142 HD1 HIS 19 HD1 HIS 19 -7.582 13.273 8.621 143 HD2 HIS 19 HD2 HIS 19 -8.509 12.934 4.589 144 HE1 HIS 19 HE1 HIS 19 -7.620 15.629 7.714 145 H MET 20 H MET 20 -4.609 10.273 5.622 146 HA MET 20 HA MET 20 -3.241 12.140 7.393 147 1HB MET 20 1HB MET 20 -2.752 9.227 7.043 148 2HB MET 20 2HB MET 20 -1.353 10.215 7.413 149 1HG MET 20 1HG MET 20 -3.846 10.005 9.123 150 2HG MET 20 2HG MET 20 -2.471 8.935 9.307 151 1HE MET 20 1HE MET 20 -2.578 13.410 10.556 152 2HE MET 20 2HE MET 20 -3.900 12.565 9.737 153 3HE MET 20 3HE MET 20 -2.446 13.042 8.850 154 H LYS 21 H LYS 21 -0.650 11.866 6.297 155 HA LYS 21 HA LYS 21 -1.299 12.692 3.602 156 1HB LYS 21 1HB LYS 21 1.247 13.139 5.177 157 2HB LYS 21 2HB LYS 21 1.011 13.660 3.511 158 1HG LYS 21 1HG LYS 21 -1.006 14.938 4.312 159 2HG LYS 21 2HG LYS 21 -0.480 14.580 5.948 160 1HD LYS 21 1HD LYS 21 1.191 16.060 3.912 161 2HD LYS 21 2HD LYS 21 0.136 16.851 5.069 162 1HE LYS 21 1HE LYS 21 2.337 16.977 5.953 163 2HE LYS 21 2HE LYS 21 1.499 15.745 6.885 164 1HZ LYS 21 1HZ LYS 21 3.800 15.304 6.199 165 2HZ LYS 21 2HZ LYS 21 3.293 15.054 4.607 166 3HZ LYS 21 3HZ LYS 21 2.735 14.075 5.906 167 H ARG 22 H ARG 22 -1.142 11.474 2.000 168 HA ARG 22 HA ARG 22 0.338 9.004 2.239 169 1HB ARG 22 1HB ARG 22 -1.370 8.078 0.864 170 2HB ARG 22 2HB ARG 22 -2.169 9.160 1.959 171 1HG ARG 22 1HG ARG 22 -1.625 9.591 -0.958 172 2HG ARG 22 2HG ARG 22 -3.178 9.371 -0.182 173 1HD ARG 22 1HD ARG 22 -1.330 11.745 -0.011 174 2HD ARG 22 2HD ARG 22 -2.883 11.668 -0.811 175 HE ARG 22 HE ARG 22 -3.240 11.174 1.930 176 1HH1 ARG 22 1HH1 ARG 22 -2.440 13.844 -0.343 177 2HH1 ARG 22 2HH1 ARG 22 -2.917 15.059 0.720 178 1HH2 ARG 22 1HH2 ARG 22 -3.833 12.988 3.425 179 2HH2 ARG 22 2HH2 ARG 22 -3.721 14.580 2.866 180 H ALA 23 H ALA 23 1.563 8.305 0.482 181 HA ALA 23 HA ALA 23 1.935 10.027 -1.753 182 1HB ALA 23 1HB ALA 23 3.638 10.906 -0.254 183 2HB ALA 23 2HB ALA 23 4.462 9.950 -1.496 184 3HB ALA 23 3HB ALA 23 4.200 9.281 0.111 185 H GLY 24 H GLY 24 0.895 8.225 -2.686 186 1HA GLY 24 1HA GLY 24 2.249 5.633 -2.505 187 2HA GLY 24 2HA GLY 24 0.599 5.909 -3.062 188 H PHE 25 H PHE 25 4.004 6.172 -3.950 189 HA PHE 25 HA PHE 25 3.427 7.032 -6.610 190 1HB PHE 25 1HB PHE 25 5.944 5.786 -5.474 191 2HB PHE 25 2HB PHE 25 5.812 6.457 -7.086 192 HD1 PHE 25 HD1 PHE 25 5.612 7.324 -3.480 193 HD2 PHE 25 HD2 PHE 25 6.231 8.718 -7.450 194 HE1 PHE 25 HE1 PHE 25 6.363 9.496 -2.601 195 HE2 PHE 25 HE2 PHE 25 6.978 10.886 -6.575 196 HZ PHE 25 HZ PHE 25 7.043 11.274 -4.141 197 H ARG 26 H ARG 26 5.203 4.104 -5.911 198 HA ARG 26 HA ARG 26 4.299 2.908 -8.315 199 1HB ARG 26 1HB ARG 26 5.862 1.843 -6.019 200 2HB ARG 26 2HB ARG 26 5.469 0.887 -7.436 201 1HG ARG 26 1HG ARG 26 6.885 3.512 -7.643 202 2HG ARG 26 2HG ARG 26 7.723 2.000 -7.280 203 1HD ARG 26 1HD ARG 26 7.847 2.399 -9.665 204 2HD ARG 26 2HD ARG 26 6.771 1.039 -9.376 205 HE ARG 26 HE ARG 26 5.687 3.732 -9.791 206 1HH1 ARG 26 1HH1 ARG 26 5.849 0.327 -10.823 207 2HH1 ARG 26 2HH1 ARG 26 4.806 0.566 -12.143 208 1HH2 ARG 26 1HH2 ARG 26 4.239 4.003 -11.595 209 2HH2 ARG 26 2HH2 ARG 26 3.869 2.655 -12.592 210 H GLU 27 H GLU 27 3.262 2.492 -4.908 211 HA GLU 27 HA GLU 27 1.860 0.116 -5.538 212 1HB GLU 27 1HB GLU 27 2.600 0.821 -3.243 213 2HB GLU 27 2HB GLU 27 1.291 2.003 -3.262 214 1HG GLU 27 1HG GLU 27 0.549 0.122 -1.982 215 2HG GLU 27 2HG GLU 27 -0.273 -0.011 -3.559 216 H CYS 28 H CYS 28 1.272 3.477 -6.232 217 HA CYS 28 HA CYS 28 -1.470 3.536 -6.231 218 1HB CYS 28 1HB CYS 28 -0.041 5.487 -6.689 219 2HB CYS 28 2HB CYS 28 0.316 4.831 -8.281 220 HG CYS 28 HG CYS 28 -2.352 6.358 -7.095 221 H ALA 29 H ALA 29 0.803 2.110 -8.511 222 HA ALA 29 HA ALA 29 -1.058 1.562 -10.610 223 1HB ALA 29 1HB ALA 29 1.346 1.734 -11.037 224 2HB ALA 29 2HB ALA 29 0.716 0.148 -11.500 225 3HB ALA 29 3HB ALA 29 1.619 0.337 -9.996 226 H ALA 30 H ALA 30 0.280 -0.148 -7.944 227 HA ALA 30 HA ALA 30 -0.846 -2.651 -8.327 228 1HB ALA 30 1HB ALA 30 -0.212 -1.230 -5.809 229 2HB ALA 30 2HB ALA 30 0.941 -2.069 -6.839 230 3HB ALA 30 3HB ALA 30 -0.358 -2.968 -6.048 231 H MET 31 H MET 31 -1.936 0.104 -6.387 232 HA MET 31 HA MET 31 -4.073 -1.180 -5.212 233 1HB MET 31 1HB MET 31 -4.992 1.009 -4.576 234 2HB MET 31 2HB MET 31 -3.269 0.899 -4.279 235 1HG MET 31 1HG MET 31 -2.892 2.152 -6.373 236 2HG MET 31 2HG MET 31 -4.629 2.335 -6.532 237 1HE MET 31 1HE MET 31 -1.474 3.227 -4.269 238 2HE MET 31 2HE MET 31 -2.583 2.520 -3.096 239 3HE MET 31 3HE MET 31 -2.229 4.242 -3.042 240 H ILE 32 H ILE 32 -3.908 0.270 -8.349 241 HA ILE 32 HA ILE 32 -6.644 0.436 -8.948 242 HB ILE 32 HB ILE 32 -4.304 -0.261 -10.744 243 1HG1 ILE 32 1HG1 ILE 32 -3.954 1.883 -9.691 244 2HG1 ILE 32 2HG1 ILE 32 -4.338 2.128 -11.389 245 1HG2 ILE 32 1HG2 ILE 32 -7.051 0.747 -11.518 246 2HG2 ILE 32 2HG2 ILE 32 -6.428 -0.878 -11.791 247 3HG2 ILE 32 3HG2 ILE 32 -5.700 0.494 -12.627 248 1HD1 ILE 32 1HD1 ILE 32 -6.208 2.512 -9.061 249 2HD1 ILE 32 2HD1 ILE 32 -6.633 2.722 -10.757 250 3HD1 ILE 32 3HD1 ILE 32 -5.433 3.778 -10.011 251 H GLU 33 H GLU 33 -4.344 -2.165 -9.139 252 HA GLU 33 HA GLU 33 -6.207 -4.050 -10.247 253 1HB GLU 33 1HB GLU 33 -3.422 -4.445 -9.161 254 2HB GLU 33 2HB GLU 33 -4.333 -5.585 -10.145 255 1HG GLU 33 1HG GLU 33 -3.540 -2.840 -11.054 256 2HG GLU 33 2HG GLU 33 -2.622 -4.307 -11.380 257 H LYS 34 H LYS 34 -4.821 -3.268 -7.136 258 HA LYS 34 HA LYS 34 -5.655 -5.576 -5.735 259 1HB LYS 34 1HB LYS 34 -4.729 -2.862 -4.896 260 2HB LYS 34 2HB LYS 34 -5.260 -4.010 -3.688 261 1HG LYS 34 1HG LYS 34 -3.560 -5.484 -4.075 262 2HG LYS 34 2HG LYS 34 -3.270 -4.968 -5.725 263 1HD LYS 34 1HD LYS 34 -2.197 -2.905 -4.772 264 2HD LYS 34 2HD LYS 34 -2.429 -3.595 -3.158 265 1HE LYS 34 1HE LYS 34 -1.164 -5.603 -3.856 266 2HE LYS 34 2HE LYS 34 -0.895 -4.887 -5.425 267 1HZ LYS 34 1HZ LYS 34 1.012 -4.748 -3.853 268 2HZ LYS 34 2HZ LYS 34 0.162 -3.618 -2.915 269 3HZ LYS 34 3HZ LYS 34 0.579 -3.257 -4.423 270 H LYS 35 H LYS 35 -7.367 -3.013 -6.914 271 HA LYS 35 HA LYS 35 -9.516 -2.887 -5.074 272 1HB LYS 35 1HB LYS 35 -9.163 -1.075 -6.586 273 2HB LYS 35 2HB LYS 35 -9.173 -2.145 -7.975 274 1HG LYS 35 1HG LYS 35 -11.554 -2.592 -7.581 275 2HG LYS 35 2HG LYS 35 -11.519 -1.453 -6.235 276 1HD LYS 35 1HD LYS 35 -10.999 0.355 -7.694 277 2HD LYS 35 2HD LYS 35 -10.761 -0.749 -9.053 278 1HE LYS 35 1HE LYS 35 -12.937 0.414 -9.110 279 2HE LYS 35 2HE LYS 35 -13.087 -1.341 -9.041 280 1HZ LYS 35 1HZ LYS 35 -14.615 -0.162 -7.543 281 2HZ LYS 35 2HZ LYS 35 -13.290 0.439 -6.678 282 3HZ LYS 35 3HZ LYS 35 -13.591 -1.209 -6.728 283 H ALA 36 H ALA 36 -8.597 -5.073 -7.606 284 HA ALA 36 HA ALA 36 -11.149 -6.112 -8.252 285 1HB ALA 36 1HB ALA 36 -9.213 -6.384 -9.712 286 2HB ALA 36 2HB ALA 36 -9.905 -7.952 -9.283 287 3HB ALA 36 3HB ALA 36 -8.432 -7.392 -8.496 288 H ARG 37 H ARG 37 -8.561 -7.338 -6.202 289 HA ARG 37 HA ARG 37 -10.311 -8.305 -4.193 290 1HB ARG 37 1HB ARG 37 -10.616 -10.166 -5.802 291 2HB ARG 37 2HB ARG 37 -8.864 -10.360 -5.864 292 1HG ARG 37 1HG ARG 37 -8.830 -10.947 -3.492 293 2HG ARG 37 2HG ARG 37 -10.584 -10.793 -3.432 294 1HD ARG 37 1HD ARG 37 -9.092 -12.705 -5.216 295 2HD ARG 37 2HD ARG 37 -9.761 -13.137 -3.644 296 HE ARG 37 HE ARG 37 -11.792 -12.015 -5.155 297 1HH1 ARG 37 1HH1 ARG 37 -9.723 -14.876 -5.318 298 2HH1 ARG 37 2HH1 ARG 37 -10.900 -15.869 -6.049 299 1HH2 ARG 37 1HH2 ARG 37 -13.411 -13.376 -6.157 300 2HH2 ARG 37 2HH2 ARG 37 -13.052 -14.998 -6.517 301 H ARG 38 H ARG 38 -7.252 -9.431 -5.553 302 HA ARG 38 HA ARG 38 -5.739 -8.036 -3.651 303 1HB ARG 38 1HB ARG 38 -6.469 -9.909 -2.233 304 2HB ARG 38 2HB ARG 38 -5.933 -11.057 -3.436 305 1HG ARG 38 1HG ARG 38 -3.626 -10.448 -3.080 306 2HG ARG 38 2HG ARG 38 -4.099 -9.186 -1.943 307 1HD ARG 38 1HD ARG 38 -3.337 -11.181 -0.763 308 2HD ARG 38 2HD ARG 38 -5.046 -10.893 -0.452 309 HE ARG 38 HE ARG 38 -4.532 -12.673 -2.632 310 1HH1 ARG 38 1HH1 ARG 38 -4.892 -12.538 0.917 311 2HH1 ARG 38 2HH1 ARG 38 -5.400 -14.155 1.034 312 1HH2 ARG 38 1HH2 ARG 38 -5.221 -14.903 -2.419 313 2HH2 ARG 38 2HH2 ARG 38 -5.595 -15.515 -0.888 314 H VAL 39 H VAL 39 -3.890 -7.592 -4.749 315 HA VAL 39 HA VAL 39 -2.957 -9.477 -6.782 316 HB VAL 39 HB VAL 39 -3.375 -6.482 -7.201 317 1HG1 VAL 39 1HG1 VAL 39 -1.308 -7.193 -8.333 318 2HG1 VAL 39 2HG1 VAL 39 -2.562 -6.814 -9.513 319 3HG1 VAL 39 3HG1 VAL 39 -2.188 -8.493 -9.133 320 1HG2 VAL 39 1HG2 VAL 39 -4.644 -8.846 -8.578 321 2HG2 VAL 39 2HG2 VAL 39 -4.914 -7.155 -8.997 322 3HG2 VAL 39 3HG2 VAL 39 -5.419 -7.765 -7.424 323 H VAL 40 H VAL 40 -0.667 -9.079 -7.355 324 HA VAL 40 HA VAL 40 0.851 -7.944 -5.126 325 HB VAL 40 HB VAL 40 1.239 -10.354 -5.463 326 1HG1 VAL 40 1HG1 VAL 40 0.624 -10.569 -7.784 327 2HG1 VAL 40 2HG1 VAL 40 2.237 -11.234 -7.520 328 3HG1 VAL 40 3HG1 VAL 40 2.048 -9.649 -8.273 329 1HG2 VAL 40 1HG2 VAL 40 3.681 -10.370 -5.752 330 2HG2 VAL 40 2HG2 VAL 40 3.166 -9.018 -4.738 331 3HG2 VAL 40 3HG2 VAL 40 3.606 -8.740 -6.419 332 H HIS 41 H HIS 41 2.536 -6.482 -5.540 333 HA HIS 41 HA HIS 41 2.904 -5.699 -8.305 334 1HB HIS 41 1HB HIS 41 1.291 -4.122 -7.253 335 2HB HIS 41 2HB HIS 41 2.487 -3.753 -6.021 336 HD1 HIS 41 HD1 HIS 41 1.676 -3.036 -9.691 337 HD2 HIS 41 HD2 HIS 41 4.357 -1.806 -6.756 338 HE1 HIS 41 HE1 HIS 41 3.030 -1.201 -10.690 339 H ILE 42 H ILE 42 4.906 -5.702 -8.719 340 HA ILE 42 HA ILE 42 6.825 -5.950 -6.583 341 HB ILE 42 HB ILE 42 7.007 -6.398 -9.580 342 1HG1 ILE 42 1HG1 ILE 42 7.656 -8.750 -8.862 343 2HG1 ILE 42 2HG1 ILE 42 7.179 -8.303 -7.241 344 1HG2 ILE 42 1HG2 ILE 42 9.129 -5.475 -8.909 345 2HG2 ILE 42 2HG2 ILE 42 9.321 -7.189 -9.274 346 3HG2 ILE 42 3HG2 ILE 42 9.263 -6.644 -7.595 347 1HD1 ILE 42 1HD1 ILE 42 4.890 -7.921 -8.047 348 2HD1 ILE 42 2HD1 ILE 42 5.438 -9.573 -8.336 349 3HD1 ILE 42 3HD1 ILE 42 5.390 -8.415 -9.664 350 H LYS 43 H LYS 43 8.470 -4.512 -6.279 351 HA LYS 43 HA LYS 43 9.605 -2.550 -6.243 352 1HB LYS 43 1HB LYS 43 8.378 -2.068 -8.971 353 2HB LYS 43 2HB LYS 43 9.488 -0.951 -8.204 354 1HG LYS 43 1HG LYS 43 11.215 -2.679 -8.227 355 2HG LYS 43 2HG LYS 43 10.092 -3.788 -9.011 356 1HD LYS 43 1HD LYS 43 9.923 -2.301 -10.920 357 2HD LYS 43 2HD LYS 43 10.986 -1.135 -10.131 358 1HE LYS 43 1HE LYS 43 12.775 -2.826 -10.106 359 2HE LYS 43 2HE LYS 43 11.708 -3.946 -10.948 360 1HZ LYS 43 1HZ LYS 43 11.670 -2.462 -12.839 361 2HZ LYS 43 2HZ LYS 43 13.263 -2.802 -12.428 362 3HZ LYS 43 3HZ LYS 43 12.593 -1.320 -12.016 363 HA PRO 44 HA PRO 44 5.550 -0.310 -5.361 364 1HB PRO 44 1HB PRO 44 5.206 -1.048 -2.673 365 2HB PRO 44 2HB PRO 44 4.261 -1.630 -4.039 366 1HG PRO 44 1HG PRO 44 6.160 -3.063 -2.454 367 2HG PRO 44 2HG PRO 44 5.187 -3.661 -3.809 368 1HD PRO 44 1HD PRO 44 8.000 -2.928 -3.705 369 2HD PRO 44 2HD PRO 44 7.110 -3.817 -4.951 370 H GLY 45 H GLY 45 5.549 1.654 -4.369 371 1HA GLY 45 1HA GLY 45 7.706 2.353 -2.537 372 2HA GLY 45 2HA GLY 45 7.664 3.173 -4.106 373 H GLU 46 H GLU 46 5.211 2.148 -1.819 374 HA GLU 46 HA GLU 46 4.125 4.792 -2.013 375 1HB GLU 46 1HB GLU 46 2.047 3.763 -1.704 376 2HB GLU 46 2HB GLU 46 3.005 2.601 -2.469 377 1HG GLU 46 1HG GLU 46 2.730 2.463 0.511 378 2HG GLU 46 2HG GLU 46 1.596 1.685 -0.581 379 H LYS 47 H LYS 47 4.217 6.099 -0.420 380 HA LYS 47 HA LYS 47 5.051 5.169 2.229 381 1HB LYS 47 1HB LYS 47 5.374 7.820 0.961 382 2HB LYS 47 2HB LYS 47 6.037 7.320 2.511 383 1HG LYS 47 1HG LYS 47 7.492 5.760 1.467 384 2HG LYS 47 2HG LYS 47 6.800 6.095 -0.125 385 1HD LYS 47 1HD LYS 47 8.127 8.026 1.663 386 2HD LYS 47 2HD LYS 47 8.888 7.203 0.267 387 1HE LYS 47 1HE LYS 47 7.310 8.302 -1.219 388 2HE LYS 47 2HE LYS 47 6.459 9.026 0.135 389 1HZ LYS 47 1HZ LYS 47 8.532 10.168 0.700 390 2HZ LYS 47 2HZ LYS 47 7.832 10.684 -0.720 391 3HZ LYS 47 3HZ LYS 47 9.196 9.705 -0.772 392 H ILE 48 H ILE 48 3.055 4.821 2.140 393 HA ILE 48 HA ILE 48 1.130 6.964 2.102 394 HB ILE 48 HB ILE 48 -0.677 5.295 2.282 395 1HG1 ILE 48 1HG1 ILE 48 1.552 3.236 2.158 396 2HG1 ILE 48 2HG1 ILE 48 0.581 3.573 3.584 397 1HG2 ILE 48 1HG2 ILE 48 -0.311 4.292 0.070 398 2HG2 ILE 48 2HG2 ILE 48 1.386 4.770 0.157 399 3HG2 ILE 48 3HG2 ILE 48 0.124 6.001 0.121 400 1HD1 ILE 48 1HD1 ILE 48 -1.421 2.818 2.401 401 2HD1 ILE 48 2HD1 ILE 48 -0.182 1.561 2.435 402 3HD1 ILE 48 3HD1 ILE 48 -0.450 2.495 0.964 403 H LEU 49 H LEU 49 0.980 8.161 3.694 404 HA LEU 49 HA LEU 49 0.420 9.037 5.617 405 1HB LEU 49 1HB LEU 49 -0.342 6.347 6.724 406 2HB LEU 49 2HB LEU 49 -0.908 7.908 7.243 407 HG LEU 49 HG LEU 49 -2.750 7.249 6.151 408 1HD1 LEU 49 1HD1 LEU 49 -2.141 9.193 4.971 409 2HD1 LEU 49 2HD1 LEU 49 -3.005 8.067 3.933 410 3HD1 LEU 49 3HD1 LEU 49 -1.251 8.232 3.790 411 1HD2 LEU 49 1HD2 LEU 49 -2.836 5.672 4.255 412 2HD2 LEU 49 2HD2 LEU 49 -2.033 5.016 5.677 413 3HD2 LEU 49 3HD2 LEU 49 -1.075 5.570 4.304 414 H GLY 50 H GLY 50 2.839 6.991 5.353 415 1HA GLY 50 1HA GLY 50 4.884 7.006 6.579 416 2HA GLY 50 2HA GLY 50 4.014 7.713 7.948 417 H ALA 51 H ALA 51 1.838 5.798 7.544 418 HA ALA 51 HA ALA 51 2.939 3.236 8.341 419 1HB ALA 51 1HB ALA 51 2.374 4.406 10.430 420 2HB ALA 51 2HB ALA 51 1.212 3.116 10.127 421 3HB ALA 51 3HB ALA 51 0.777 4.792 9.795 422 H ARG 52 H ARG 52 1.959 1.773 7.119 423 HA ARG 52 HA ARG 52 -0.013 2.603 5.239 424 1HB ARG 52 1HB ARG 52 0.148 0.282 4.353 425 2HB ARG 52 2HB ARG 52 1.707 1.075 4.494 426 1HG ARG 52 1HG ARG 52 1.991 -0.147 6.678 427 2HG ARG 52 2HG ARG 52 0.556 -1.074 6.247 428 1HD ARG 52 1HD ARG 52 3.134 -0.911 4.699 429 2HD ARG 52 2HD ARG 52 2.580 -2.276 5.663 430 HE ARG 52 HE ARG 52 1.186 -1.343 3.236 431 1HH1 ARG 52 1HH1 ARG 52 2.479 -4.013 5.236 432 2HH1 ARG 52 2HH1 ARG 52 2.089 -5.208 4.125 433 1HH2 ARG 52 1HH2 ARG 52 0.696 -3.024 1.693 434 2HH2 ARG 52 2HH2 ARG 52 1.049 -4.659 2.077 435 H ILE 53 H ILE 53 -1.989 3.009 5.903 436 HA ILE 53 HA ILE 53 -3.412 0.949 7.422 437 HB ILE 53 HB ILE 53 -3.765 3.956 7.568 438 1HG1 ILE 53 1HG1 ILE 53 -2.503 2.115 9.634 439 2HG1 ILE 53 2HG1 ILE 53 -1.624 3.243 8.619 440 1HG2 ILE 53 1HG2 ILE 53 -4.993 1.725 9.213 441 2HG2 ILE 53 2HG2 ILE 53 -5.824 2.733 8.023 442 3HG2 ILE 53 3HG2 ILE 53 -5.223 3.445 9.516 443 1HD1 ILE 53 1HD1 ILE 53 -3.669 3.988 10.698 444 2HD1 ILE 53 2HD1 ILE 53 -2.707 5.110 9.728 445 3HD1 ILE 53 3HD1 ILE 53 -1.921 4.057 10.901 446 H ILE 54 H ILE 54 -5.281 0.403 6.375 447 HA ILE 54 HA ILE 54 -5.760 1.410 3.722 448 HB ILE 54 HB ILE 54 -7.439 -0.452 5.454 449 1HG1 ILE 54 1HG1 ILE 54 -5.204 -1.378 5.127 450 2HG1 ILE 54 2HG1 ILE 54 -6.393 -2.310 4.224 451 1HG2 ILE 54 1HG2 ILE 54 -7.514 -0.123 2.462 452 2HG2 ILE 54 2HG2 ILE 54 -8.711 0.513 3.590 453 3HG2 ILE 54 3HG2 ILE 54 -8.496 -1.229 3.422 454 1HD1 ILE 54 1HD1 ILE 54 -4.358 -2.014 2.939 455 2HD1 ILE 54 2HD1 ILE 54 -4.487 -0.265 3.088 456 3HD1 ILE 54 3HD1 ILE 54 -5.695 -1.162 2.165 457 H GLY 55 H GLY 55 -6.941 1.969 6.865 458 1HA GLY 55 1HA GLY 55 -7.999 4.033 7.515 459 2HA GLY 55 2HA GLY 55 -8.601 4.192 5.862 460 H ILE 56 H ILE 56 -9.271 1.450 5.771 461 HA ILE 56 HA ILE 56 -11.807 1.472 7.231 462 HB ILE 56 HB ILE 56 -10.902 -0.208 4.873 463 1HG1 ILE 56 1HG1 ILE 56 -12.730 2.198 4.893 464 2HG1 ILE 56 2HG1 ILE 56 -11.070 2.194 4.311 465 1HG2 ILE 56 1HG2 ILE 56 -13.300 -0.762 4.652 466 2HG2 ILE 56 2HG2 ILE 56 -13.621 0.146 6.132 467 3HG2 ILE 56 3HG2 ILE 56 -12.619 -1.300 6.189 468 1HD1 ILE 56 1HD1 ILE 56 -13.365 0.641 3.177 469 2HD1 ILE 56 2HD1 ILE 56 -11.704 0.579 2.579 470 3HD1 ILE 56 3HD1 ILE 56 -12.631 2.078 2.463 471 HA PRO 57 HA PRO 57 -9.523 -1.609 9.716 472 1HB PRO 57 1HB PRO 57 -12.261 -1.959 10.849 473 2HB PRO 57 2HB PRO 57 -10.735 -1.684 11.692 474 1HG PRO 57 1HG PRO 57 -12.501 0.274 11.489 475 2HG PRO 57 2HG PRO 57 -10.772 0.608 11.290 476 1HD PRO 57 1HD PRO 57 -12.898 0.326 9.197 477 2HD PRO 57 2HD PRO 57 -11.569 1.504 9.311 478 HA PRO 58 HA PRO 58 -11.374 -4.870 7.150 479 1HB PRO 58 1HB PRO 58 -9.080 -5.932 6.307 480 2HB PRO 58 2HB PRO 58 -9.681 -4.410 5.651 481 1HG PRO 58 1HG PRO 58 -7.383 -4.897 7.420 482 2HG PRO 58 2HG PRO 58 -7.737 -3.489 6.411 483 1HD PRO 58 1HD PRO 58 -8.215 -3.861 9.248 484 2HD PRO 58 2HD PRO 58 -8.413 -2.391 8.261 485 H VAL 59 H VAL 59 -10.686 -7.223 6.979 486 HA VAL 59 HA VAL 59 -10.852 -8.460 9.516 487 HB VAL 59 HB VAL 59 -10.039 -9.700 6.873 488 1HG1 VAL 59 1HG1 VAL 59 -9.630 -11.153 8.773 489 2HG1 VAL 59 2HG1 VAL 59 -10.969 -11.776 7.806 490 3HG1 VAL 59 3HG1 VAL 59 -11.290 -10.937 9.325 491 1HG2 VAL 59 1HG2 VAL 59 -12.131 -8.507 6.604 492 2HG2 VAL 59 2HG2 VAL 59 -12.801 -9.316 8.013 493 3HG2 VAL 59 3HG2 VAL 59 -12.422 -10.247 6.561 494 HA PRO 60 HA PRO 60 -6.383 -8.059 9.977 495 1HB PRO 60 1HB PRO 60 -6.553 -9.041 12.676 496 2HB PRO 60 2HB PRO 60 -6.294 -7.382 12.133 497 1HG PRO 60 1HG PRO 60 -8.575 -8.256 13.400 498 2HG PRO 60 2HG PRO 60 -8.499 -6.843 12.339 499 1HD PRO 60 1HD PRO 60 -9.479 -9.610 11.739 500 2HD PRO 60 2HD PRO 60 -10.112 -8.024 11.225 501 H ILE 61 H ILE 61 -6.531 -10.066 8.460 502 HA ILE 61 HA ILE 61 -5.143 -12.218 9.863 503 HB ILE 61 HB ILE 61 -7.172 -12.471 7.597 504 1HG1 ILE 61 1HG1 ILE 61 -7.269 -13.613 10.398 505 2HG1 ILE 61 2HG1 ILE 61 -8.192 -12.225 9.844 506 1HG2 ILE 61 1HG2 ILE 61 -6.782 -14.901 7.699 507 2HG2 ILE 61 2HG2 ILE 61 -5.510 -14.637 8.894 508 3HG2 ILE 61 3HG2 ILE 61 -5.319 -14.021 7.253 509 1HD1 ILE 61 1HD1 ILE 61 -9.394 -13.663 8.273 510 2HD1 ILE 61 2HD1 ILE 61 -9.547 -14.255 9.926 511 3HD1 ILE 61 3HD1 ILE 61 -8.436 -15.043 8.805 512 H GLY 62 H GLY 62 -3.308 -12.981 8.635 513 1HA GLY 62 1HA GLY 62 -2.759 -12.666 6.061 514 2HA GLY 62 2HA GLY 62 -2.467 -11.041 6.689 515 H ILE 63 H ILE 63 -0.598 -12.787 5.431 516 HA ILE 63 HA ILE 63 1.260 -13.258 7.646 517 HB ILE 63 HB ILE 63 1.109 -14.757 5.011 518 1HG1 ILE 63 1HG1 ILE 63 0.436 -15.737 7.798 519 2HG1 ILE 63 2HG1 ILE 63 -0.745 -15.323 6.563 520 1HG2 ILE 63 1HG2 ILE 63 2.872 -15.181 7.427 521 2HG2 ILE 63 2HG2 ILE 63 3.387 -14.568 5.855 522 3HG2 ILE 63 3HG2 ILE 63 2.811 -16.229 6.009 523 1HD1 ILE 63 1HD1 ILE 63 1.291 -17.537 6.396 524 2HD1 ILE 63 2HD1 ILE 63 0.109 -17.127 5.152 525 3HD1 ILE 63 3HD1 ILE 63 -0.432 -17.725 6.721 526 H ASP 64 H ASP 64 2.477 -11.460 7.548 527 HA ASP 64 HA ASP 64 3.441 -10.438 4.987 528 1HB ASP 64 1HB ASP 64 3.859 -9.445 7.832 529 2HB ASP 64 2HB ASP 64 4.558 -8.687 6.417 530 H GLU 65 H GLU 65 5.150 -11.588 4.194 531 HA GLU 65 HA GLU 65 6.886 -12.959 6.014 532 1HB GLU 65 1HB GLU 65 7.004 -12.592 3.033 533 2HB GLU 65 2HB GLU 65 8.206 -13.483 3.939 534 1HG GLU 65 1HG GLU 65 6.350 -14.978 4.717 535 2HG GLU 65 2HG GLU 65 5.306 -14.149 3.557 536 H GLU 66 H GLU 66 7.593 -10.667 3.450 537 HA GLU 66 HA GLU 66 9.275 -9.122 5.163 538 1HB GLU 66 1HB GLU 66 10.736 -11.026 4.478 539 2HB GLU 66 2HB GLU 66 10.408 -10.647 2.795 540 1HG GLU 66 1HG GLU 66 12.615 -9.911 3.623 541 2HG GLU 66 2HG GLU 66 11.630 -8.624 2.937 542 H ARG 67 H ARG 67 10.089 -7.306 3.842 543 HA ARG 67 HA ARG 67 7.887 -6.318 2.226 544 1HB ARG 67 1HB ARG 67 9.551 -5.088 3.950 545 2HB ARG 67 2HB ARG 67 10.400 -4.752 2.451 546 1HG ARG 67 1HG ARG 67 7.512 -4.117 2.952 547 2HG ARG 67 2HG ARG 67 8.852 -2.977 3.151 548 1HD ARG 67 1HD ARG 67 9.308 -3.036 0.806 549 2HD ARG 67 2HD ARG 67 8.183 -4.371 0.566 550 HE ARG 67 HE ARG 67 6.547 -2.573 1.571 551 1HH1 ARG 67 1HH1 ARG 67 9.040 -1.964 -0.867 552 2HH1 ARG 67 2HH1 ARG 67 8.096 -0.816 -1.715 553 1HH2 ARG 67 1HH2 ARG 67 5.265 -1.044 0.404 554 2HH2 ARG 67 2HH2 ARG 67 5.814 -0.292 -0.935 555 H SER 68 H SER 68 11.134 -7.423 1.826 556 HA SER 68 HA SER 68 11.126 -6.922 -1.019 557 1HB SER 68 1HB SER 68 13.449 -7.930 -0.718 558 2HB SER 68 2HB SER 68 13.156 -6.370 0.080 559 HG SER 68 HG SER 68 13.637 -8.855 1.123 560 H THR 69 H THR 69 9.239 -8.634 -0.063 561 HA THR 69 HA THR 69 9.651 -10.969 -1.587 562 HB THR 69 HB THR 69 9.131 -11.184 1.416 563 HG1 THR 69 HG1 THR 69 11.448 -11.078 0.118 564 1HG2 THR 69 1HG2 THR 69 9.288 -13.616 1.101 565 2HG2 THR 69 2HG2 THR 69 9.561 -13.384 -0.625 566 3HG2 THR 69 3HG2 THR 69 8.012 -12.941 0.095 567 H VAL 70 H VAL 70 7.392 -12.092 -1.366 568 HA VAL 70 HA VAL 70 5.376 -10.069 -1.506 569 HB VAL 70 HB VAL 70 3.850 -11.971 -1.952 570 1HG1 VAL 70 1HG1 VAL 70 6.403 -12.055 -3.549 571 2HG1 VAL 70 2HG1 VAL 70 5.048 -10.952 -3.812 572 3HG1 VAL 70 3HG1 VAL 70 4.842 -12.684 -4.071 573 1HG2 VAL 70 1HG2 VAL 70 4.937 -13.636 -0.521 574 2HG2 VAL 70 2HG2 VAL 70 6.316 -13.685 -1.622 575 3HG2 VAL 70 3HG2 VAL 70 4.730 -14.233 -2.166 576 H MET 71 H MET 71 3.456 -10.213 -0.312 577 HA MET 71 HA MET 71 3.555 -11.514 2.270 578 1HB MET 71 1HB MET 71 2.655 -9.404 3.327 579 2HB MET 71 2HB MET 71 4.333 -9.284 2.815 580 1HG MET 71 1HG MET 71 3.665 -8.020 0.856 581 2HG MET 71 2HG MET 71 1.970 -8.226 1.275 582 1HE MET 71 1HE MET 71 5.408 -6.696 2.410 583 2HE MET 71 2HE MET 71 4.866 -7.513 3.881 584 3HE MET 71 3HE MET 71 4.925 -5.754 3.818 585 H ILE 72 H ILE 72 1.731 -12.634 2.406 586 HA ILE 72 HA ILE 72 -0.464 -11.722 0.713 587 HB ILE 72 HB ILE 72 0.111 -14.579 1.611 588 1HG1 ILE 72 1HG1 ILE 72 0.075 -15.025 -0.900 589 2HG1 ILE 72 2HG1 ILE 72 0.099 -13.287 -1.130 590 1HG2 ILE 72 1HG2 ILE 72 -2.253 -13.553 0.051 591 2HG2 ILE 72 2HG2 ILE 72 -2.280 -14.196 1.691 592 3HG2 ILE 72 3HG2 ILE 72 -1.879 -15.252 0.335 593 1HD1 ILE 72 1HD1 ILE 72 2.220 -14.929 0.220 594 2HD1 ILE 72 2HD1 ILE 72 2.269 -13.183 -0.021 595 3HD1 ILE 72 3HD1 ILE 72 2.298 -14.268 -1.413 596 HA PRO 73 HA PRO 73 -2.289 -11.304 4.732 597 1HB PRO 73 1HB PRO 73 -3.449 -8.836 4.087 598 2HB PRO 73 2HB PRO 73 -1.936 -9.070 4.961 599 1HG PRO 73 1HG PRO 73 -2.238 -7.944 2.387 600 2HG PRO 73 2HG PRO 73 -0.720 -8.415 3.166 601 1HD PRO 73 1HD PRO 73 -2.355 -9.885 1.158 602 2HD PRO 73 2HD PRO 73 -0.594 -9.874 1.418 603 H TYR 74 H TYR 74 -4.560 -11.081 5.334 604 HA TYR 74 HA TYR 74 -6.413 -11.424 3.142 605 1HB TYR 74 1HB TYR 74 -5.868 -13.622 4.298 606 2HB TYR 74 2HB TYR 74 -6.533 -12.893 5.760 607 HD1 TYR 74 HD1 TYR 74 -7.512 -13.528 2.208 608 HD2 TYR 74 HD2 TYR 74 -8.758 -13.299 6.265 609 HE1 TYR 74 HE1 TYR 74 -9.755 -14.275 1.554 610 HE2 TYR 74 HE2 TYR 74 -11.006 -14.040 5.624 611 HH TYR 74 HH TYR 74 -12.422 -14.085 3.653 612 H THR 75 H THR 75 -6.002 -9.130 3.850 613 HA THR 75 HA THR 75 -7.729 -8.504 6.020 614 HB THR 75 HB THR 75 -6.918 -6.163 5.580 615 HG1 THR 75 HG1 THR 75 -6.186 -6.527 3.455 616 1HG2 THR 75 1HG2 THR 75 -5.947 -7.501 7.389 617 2HG2 THR 75 2HG2 THR 75 -4.687 -6.528 6.628 618 3HG2 THR 75 3HG2 THR 75 -4.822 -8.246 6.254 619 H LYS 76 H LYS 76 -9.754 -8.296 5.394 620 HA LYS 76 HA LYS 76 -10.343 -7.518 2.623 621 1HB LYS 76 1HB LYS 76 -11.203 -9.722 3.308 622 2HB LYS 76 2HB LYS 76 -12.126 -8.960 4.592 623 1HG LYS 76 1HG LYS 76 -13.432 -7.727 2.901 624 2HG LYS 76 2HG LYS 76 -12.522 -8.539 1.628 625 1HD LYS 76 1HD LYS 76 -14.555 -9.732 1.834 626 2HD LYS 76 2HD LYS 76 -13.333 -10.726 2.616 627 1HE LYS 76 1HE LYS 76 -15.259 -10.779 4.024 628 2HE LYS 76 2HE LYS 76 -14.089 -9.740 4.825 629 1HZ LYS 76 1HZ LYS 76 -16.297 -8.740 4.908 630 2HZ LYS 76 2HZ LYS 76 -16.464 -8.879 3.261 631 3HZ LYS 76 3HZ LYS 76 -15.360 -7.792 3.878 632 HA PRO 77 HA PRO 77 -12.286 -4.004 4.620 633 1HB PRO 77 1HB PRO 77 -11.051 -2.098 3.116 634 2HB PRO 77 2HB PRO 77 -10.277 -2.816 4.525 635 1HG PRO 77 1HG PRO 77 -9.577 -3.116 1.721 636 2HG PRO 77 2HG PRO 77 -8.696 -3.687 3.143 637 1HD PRO 77 1HD PRO 77 -10.545 -5.157 1.373 638 2HD PRO 77 2HD PRO 77 -9.320 -5.780 2.504 639 H CYS 78 H CYS 78 -12.970 -1.830 2.920 640 HA CYS 78 HA CYS 78 -14.831 -3.080 1.119 641 1HB CYS 78 1HB CYS 78 -15.519 -1.125 2.476 642 2HB CYS 78 2HB CYS 78 -14.308 -0.146 1.652 643 HG CYS 78 HG CYS 78 -15.753 -1.082 -0.833 644 H TYR 79 H TYR 79 -11.645 -2.153 0.885 645 HA TYR 79 HA TYR 79 -11.888 -1.369 -1.916 646 1HB TYR 79 1HB TYR 79 -10.471 0.009 -0.336 647 2HB TYR 79 2HB TYR 79 -9.363 -1.352 -0.248 648 HD1 TYR 79 HD1 TYR 79 -7.895 -1.880 -2.133 649 HD2 TYR 79 HD2 TYR 79 -10.692 1.314 -2.363 650 HE1 TYR 79 HE1 TYR 79 -6.755 -1.038 -4.135 651 HE2 TYR 79 HE2 TYR 79 -9.551 2.162 -4.370 652 HH TYR 79 HH TYR 79 -7.195 0.362 -6.022 653 H GLY 80 H GLY 80 -9.257 -3.247 -0.347 654 1HA GLY 80 1HA GLY 80 -9.835 -5.724 -1.428 655 2HA GLY 80 2HA GLY 80 -8.818 -4.854 -2.578 656 H THR 81 H THR 81 -7.394 -6.764 -1.894 657 HA THR 81 HA THR 81 -5.941 -6.034 0.542 658 HB THR 81 HB THR 81 -5.901 -8.745 -0.787 659 HG1 THR 81 HG1 THR 81 -7.639 -7.792 1.289 660 1HG2 THR 81 1HG2 THR 81 -5.342 -7.831 2.038 661 2HG2 THR 81 2HG2 THR 81 -4.125 -8.247 0.832 662 3HG2 THR 81 3HG2 THR 81 -5.216 -9.489 1.450 663 H ALA 82 H ALA 82 -3.635 -6.126 0.453 664 HA ALA 82 HA ALA 82 -2.616 -5.706 -2.278 665 1HB ALA 82 1HB ALA 82 -1.858 -4.304 0.251 666 2HB ALA 82 2HB ALA 82 -2.909 -3.671 -1.013 667 3HB ALA 82 3HB ALA 82 -1.208 -4.004 -1.359 668 H VAL 83 H VAL 83 -1.028 -7.063 -2.830 669 HA VAL 83 HA VAL 83 0.797 -8.103 -0.783 670 HB VAL 83 HB VAL 83 0.310 -9.059 -3.648 671 1HG1 VAL 83 1HG1 VAL 83 1.876 -10.352 -1.425 672 2HG1 VAL 83 2HG1 VAL 83 2.569 -9.508 -2.802 673 3HG1 VAL 83 3HG1 VAL 83 1.652 -10.999 -3.052 674 1HG2 VAL 83 1HG2 VAL 83 -1.646 -9.525 -2.279 675 2HG2 VAL 83 2HG2 VAL 83 -0.629 -10.303 -1.069 676 3HG2 VAL 83 3HG2 VAL 83 -0.794 -11.019 -2.672 677 H VAL 84 H VAL 84 2.600 -6.852 -0.711 678 HA VAL 84 HA VAL 84 3.293 -5.332 -3.089 679 HB VAL 84 HB VAL 84 4.446 -3.822 -1.724 680 1HG1 VAL 84 1HG1 VAL 84 2.149 -3.572 -1.404 681 2HG1 VAL 84 2HG1 VAL 84 2.996 -3.211 0.102 682 3HG1 VAL 84 3HG1 VAL 84 2.149 -4.746 -0.089 683 1HG2 VAL 84 1HG2 VAL 84 5.864 -5.355 -0.438 684 2HG2 VAL 84 2HG2 VAL 84 4.478 -5.820 0.548 685 3HG2 VAL 84 3HG2 VAL 84 5.104 -4.174 0.629 686 H GLU 85 H GLU 85 5.703 -5.616 -3.771 687 HA GLU 85 HA GLU 85 7.339 -7.419 -2.242 688 1HB GLU 85 1HB GLU 85 6.003 -8.924 -3.713 689 2HB GLU 85 2HB GLU 85 6.675 -8.089 -5.116 690 1HG GLU 85 1HG GLU 85 8.537 -9.345 -3.165 691 2HG GLU 85 2HG GLU 85 7.630 -10.401 -4.234 692 H LEU 86 H LEU 86 9.087 -6.267 -2.063 693 HA LEU 86 HA LEU 86 9.784 -4.449 -4.232 694 1HB LEU 86 1HB LEU 86 9.547 -3.621 -1.883 695 2HB LEU 86 2HB LEU 86 10.911 -4.623 -1.435 696 HG LEU 86 HG LEU 86 12.255 -3.313 -3.130 697 1HD1 LEU 86 1HD1 LEU 86 10.444 -2.368 -4.404 698 2HD1 LEU 86 2HD1 LEU 86 11.462 -1.098 -3.728 699 3HD1 LEU 86 3HD1 LEU 86 9.901 -1.459 -2.994 700 1HD2 LEU 86 1HD2 LEU 86 12.502 -2.963 -0.730 701 2HD2 LEU 86 2HD2 LEU 86 11.128 -1.861 -0.734 702 3HD2 LEU 86 3HD2 LEU 86 12.611 -1.421 -1.582 703 HA PRO 87 HA PRO 87 13.125 -7.381 -5.101 704 1HB PRO 87 1HB PRO 87 14.088 -6.241 -7.308 705 2HB PRO 87 2HB PRO 87 12.479 -6.974 -7.319 706 1HG PRO 87 1HG PRO 87 13.248 -4.099 -7.073 707 2HG PRO 87 2HG PRO 87 11.963 -4.834 -8.048 708 1HD PRO 87 1HD PRO 87 11.568 -3.648 -5.600 709 2HD PRO 87 2HD PRO 87 10.501 -4.890 -6.288 710 H VAL 88 H VAL 88 13.391 -4.919 -3.366 711 HA VAL 88 HA VAL 88 16.288 -4.610 -3.492 712 HB VAL 88 HB VAL 88 14.426 -2.384 -2.627 713 1HG1 VAL 88 1HG1 VAL 88 16.391 -0.940 -2.931 714 2HG1 VAL 88 2HG1 VAL 88 17.336 -2.360 -3.362 715 3HG1 VAL 88 3HG1 VAL 88 16.648 -2.219 -1.744 716 1HG2 VAL 88 1HG2 VAL 88 15.681 -2.641 -5.367 717 2HG2 VAL 88 2HG2 VAL 88 14.827 -1.218 -4.767 718 3HG2 VAL 88 3HG2 VAL 88 13.960 -2.737 -4.998 719 H ASP 89 H ASP 89 17.104 -4.312 -1.353 720 HA ASP 89 HA ASP 89 15.864 -6.003 0.521 721 1HB ASP 89 1HB ASP 89 18.269 -4.227 0.717 722 2HB ASP 89 2HB ASP 89 17.720 -5.185 2.091 723 HA PRO 90 HA PRO 90 13.200 -3.572 3.000 724 1HB PRO 90 1HB PRO 90 13.640 -4.619 5.488 725 2HB PRO 90 2HB PRO 90 12.710 -5.453 4.238 726 1HG PRO 90 1HG PRO 90 15.583 -5.808 5.009 727 2HG PRO 90 2HG PRO 90 14.353 -7.045 4.687 728 1HD PRO 90 1HD PRO 90 16.171 -6.400 2.843 729 2HD PRO 90 2HD PRO 90 14.496 -6.764 2.387 730 H GLU 91 H GLU 91 16.514 -3.374 3.318 731 HA GLU 91 HA GLU 91 16.892 -1.674 5.537 732 1HB GLU 91 1HB GLU 91 18.976 -0.965 4.404 733 2HB GLU 91 2HB GLU 91 18.782 -2.713 4.392 734 1HG GLU 91 1HG GLU 91 18.165 -2.714 2.108 735 2HG GLU 91 2HG GLU 91 18.025 -0.962 2.078 736 H GLU 92 H GLU 92 15.743 -1.195 2.314 737 HA GLU 92 HA GLU 92 15.977 1.599 2.182 738 1HB GLU 92 1HB GLU 92 14.246 -0.361 0.714 739 2HB GLU 92 2HB GLU 92 14.189 1.370 0.408 740 1HG GLU 92 1HG GLU 92 16.649 -0.331 0.194 741 2HG GLU 92 2HG GLU 92 15.626 0.161 -1.164 742 H ILE 93 H ILE 93 13.772 -0.476 3.766 743 HA ILE 93 HA ILE 93 11.591 1.331 3.823 744 HB ILE 93 HB ILE 93 12.191 -1.019 5.628 745 1HG1 ILE 93 1HG1 ILE 93 11.932 -1.695 3.323 746 2HG1 ILE 93 2HG1 ILE 93 10.512 -2.196 4.233 747 1HG2 ILE 93 1HG2 ILE 93 9.803 -0.972 6.244 748 2HG2 ILE 93 2HG2 ILE 93 9.597 0.507 5.310 749 3HG2 ILE 93 3HG2 ILE 93 10.629 0.507 6.739 750 1HD1 ILE 93 1HD1 ILE 93 10.700 0.183 2.381 751 2HD1 ILE 93 2HD1 ILE 93 9.281 -0.264 3.323 752 3HD1 ILE 93 3HD1 ILE 93 9.873 -1.338 2.058 753 H GLU 94 H GLU 94 14.369 0.815 5.913 754 HA GLU 94 HA GLU 94 13.514 2.481 8.039 755 1HB GLU 94 1HB GLU 94 16.359 2.105 7.059 756 2HB GLU 94 2HB GLU 94 15.866 2.624 8.661 757 1HG GLU 94 1HG GLU 94 15.487 -0.097 7.440 758 2HG GLU 94 2HG GLU 94 16.598 0.337 8.735 759 H ARG 95 H ARG 95 15.299 3.053 5.120 760 HA ARG 95 HA ARG 95 15.605 5.835 5.430 761 1HB ARG 95 1HB ARG 95 17.168 4.816 3.979 762 2HB ARG 95 2HB ARG 95 15.936 3.892 3.155 763 1HG ARG 95 1HG ARG 95 15.899 6.851 2.813 764 2HG ARG 95 2HG ARG 95 17.171 5.928 2.002 765 1HD ARG 95 1HD ARG 95 15.506 4.516 0.942 766 2HD ARG 95 2HD ARG 95 14.222 5.342 1.813 767 HE ARG 95 HE ARG 95 15.228 7.368 0.486 768 1HH1 ARG 95 1HH1 ARG 95 14.985 4.058 -0.803 769 2HH1 ARG 95 2HH1 ARG 95 14.379 4.560 -2.293 770 1HH2 ARG 95 1HH2 ARG 95 14.461 8.020 -1.604 771 2HH2 ARG 95 2HH2 ARG 95 14.116 6.855 -2.800 772 H ILE 96 H ILE 96 13.180 3.883 3.805 773 HA ILE 96 HA ILE 96 11.744 6.072 2.696 774 HB ILE 96 HB ILE 96 11.092 3.159 3.074 775 1HG1 ILE 96 1HG1 ILE 96 11.679 4.773 0.583 776 2HG1 ILE 96 2HG1 ILE 96 12.796 3.690 1.404 777 1HG2 ILE 96 1HG2 ILE 96 9.108 3.436 1.633 778 2HG2 ILE 96 2HG2 ILE 96 9.388 5.176 1.629 779 3HG2 ILE 96 3HG2 ILE 96 8.951 4.361 3.134 780 1HD1 ILE 96 1HD1 ILE 96 10.235 2.878 0.041 781 2HD1 ILE 96 2HD1 ILE 96 11.367 1.791 0.847 782 3HD1 ILE 96 3HD1 ILE 96 11.867 2.671 -0.596 783 H LEU 97 H LEU 97 11.755 4.595 5.823 784 HA LEU 97 HA LEU 97 9.206 5.565 6.604 785 1HB LEU 97 1HB LEU 97 10.442 3.701 7.710 786 2HB LEU 97 2HB LEU 97 11.581 4.874 8.336 787 HG LEU 97 HG LEU 97 9.734 5.939 9.600 788 1HD1 LEU 97 1HD1 LEU 97 8.146 3.596 8.571 789 2HD1 LEU 97 2HD1 LEU 97 7.848 5.305 8.233 790 3HD1 LEU 97 3HD1 LEU 97 7.643 4.673 9.866 791 1HD2 LEU 97 1HD2 LEU 97 9.519 4.167 11.271 792 2HD2 LEU 97 2HD2 LEU 97 11.173 4.313 10.677 793 3HD2 LEU 97 3HD2 LEU 97 10.144 2.996 10.108 794 H GLU 98 H GLU 98 12.380 6.892 6.437 795 HA GLU 98 HA GLU 98 11.764 9.280 7.981 796 1HB GLU 98 1HB GLU 98 14.037 8.271 7.979 797 2HB GLU 98 2HB GLU 98 14.126 8.557 6.252 798 1HG GLU 98 1HG GLU 98 15.407 10.214 7.536 799 2HG GLU 98 2HG GLU 98 14.121 10.937 6.578 800 H VAL 99 H VAL 99 12.306 8.282 4.709 801 HA VAL 99 HA VAL 99 11.779 10.844 3.496 802 HB VAL 99 HB VAL 99 12.283 8.048 2.406 803 1HG1 VAL 99 1HG1 VAL 99 12.275 10.672 0.866 804 2HG1 VAL 99 2HG1 VAL 99 11.085 9.382 0.688 805 3HG1 VAL 99 3HG1 VAL 99 12.760 9.107 0.212 806 1HG2 VAL 99 1HG2 VAL 99 14.154 8.983 3.591 807 2HG2 VAL 99 2HG2 VAL 99 14.098 10.442 2.599 808 3HG2 VAL 99 3HG2 VAL 99 14.511 8.892 1.868 809 H ALA 100 H ALA 100 9.809 8.927 5.017 810 HA ALA 100 HA ALA 100 7.762 7.992 3.451 811 1HB ALA 100 1HB ALA 100 7.462 9.136 6.198 812 2HB ALA 100 2HB ALA 100 8.024 7.503 5.811 813 3HB ALA 100 3HB ALA 100 6.379 7.995 5.390 814 H GLU 101 H GLU 101 7.708 11.094 5.144 815 HA GLU 101 HA GLU 101 5.460 11.751 3.477 816 1HB GLU 101 1HB GLU 101 6.424 13.125 5.985 817 2HB GLU 101 2HB GLU 101 4.998 13.573 5.052 818 1HG GLU 101 1HG GLU 101 4.058 11.325 5.450 819 2HG GLU 101 2HG GLU 101 5.453 10.946 6.452 820 HA PRO 102 HA PRO 102 8.171 15.040 1.983 821 1HB PRO 102 1HB PRO 102 10.537 15.722 3.205 822 2HB PRO 102 2HB PRO 102 8.940 16.327 3.676 823 1HG PRO 102 1HG PRO 102 10.676 14.583 5.162 824 2HG PRO 102 2HG PRO 102 9.092 15.212 5.638 825 1HD PRO 102 1HD PRO 102 9.796 12.599 4.408 826 2HD PRO 102 2HD PRO 102 8.420 13.019 5.454 Start of MODEL 13 1 H HIS 1 H HIS 1 -0.301 6.688 -11.106 2 HA HIS 1 HA HIS 1 2.030 6.737 -11.198 3 1HB HIS 1 1HB HIS 1 3.303 8.754 -11.722 4 2HB HIS 1 2HB HIS 1 2.285 8.330 -13.086 5 HD1 HIS 1 HD1 HIS 1 3.104 11.101 -10.813 6 HD2 HIS 1 HD2 HIS 1 -0.015 10.077 -13.367 7 HE1 HIS 1 HE1 HIS 1 1.790 13.220 -11.210 8 H MET 2 H MET 2 -0.532 8.370 -9.687 9 HA MET 2 HA MET 2 0.558 8.067 -7.154 10 1HB MET 2 1HB MET 2 0.666 10.358 -6.389 11 2HB MET 2 2HB MET 2 1.869 10.089 -7.647 12 1HG MET 2 1HG MET 2 0.388 11.228 -9.252 13 2HG MET 2 2HG MET 2 -0.783 11.497 -7.963 14 1HE MET 2 1HE MET 2 -0.894 14.063 -8.326 15 2HE MET 2 2HE MET 2 0.177 13.885 -9.715 16 3HE MET 2 3HE MET 2 0.520 15.102 -8.484 17 H THR 3 H THR 3 -1.064 7.985 -5.748 18 HA THR 3 HA THR 3 -3.607 9.138 -6.599 19 HB THR 3 HB THR 3 -3.165 6.364 -5.534 20 HG1 THR 3 HG1 THR 3 -3.902 7.410 -8.063 21 1HG2 THR 3 1HG2 THR 3 -5.728 7.726 -6.427 22 2HG2 THR 3 2HG2 THR 3 -5.307 7.337 -4.763 23 3HG2 THR 3 3HG2 THR 3 -5.597 6.041 -5.920 24 H PHE 4 H PHE 4 -4.400 10.405 -5.075 25 HA PHE 4 HA PHE 4 -3.824 9.748 -2.281 26 1HB PHE 4 1HB PHE 4 -4.233 12.509 -3.469 27 2HB PHE 4 2HB PHE 4 -3.876 12.154 -1.776 28 HD1 PHE 4 HD1 PHE 4 -1.718 11.010 -1.231 29 HD2 PHE 4 HD2 PHE 4 -2.499 12.717 -5.032 30 HE1 PHE 4 HE1 PHE 4 0.687 10.961 -1.745 31 HE2 PHE 4 HE2 PHE 4 -0.105 12.678 -5.551 32 HZ PHE 4 HZ PHE 4 1.489 11.781 -3.907 33 H CYS 5 H CYS 5 -6.089 9.520 -4.481 34 HA CYS 5 HA CYS 5 -8.335 10.524 -2.936 35 1HB CYS 5 1HB CYS 5 -8.252 9.268 -5.684 36 2HB CYS 5 2HB CYS 5 -9.631 10.084 -4.947 37 HG CYS 5 HG CYS 5 -8.156 11.581 -7.026 38 H LEU 6 H LEU 6 -8.778 9.161 -1.345 39 HA LEU 6 HA LEU 6 -8.646 6.297 -1.769 40 1HB LEU 6 1HB LEU 6 -9.168 6.262 0.753 41 2HB LEU 6 2HB LEU 6 -7.593 6.765 0.213 42 HG LEU 6 HG LEU 6 -8.352 9.086 0.455 43 1HD1 LEU 6 1HD1 LEU 6 -10.228 9.492 2.102 44 2HD1 LEU 6 2HD1 LEU 6 -10.542 7.760 2.121 45 3HD1 LEU 6 3HD1 LEU 6 -10.829 8.684 0.649 46 1HD2 LEU 6 1HD2 LEU 6 -8.185 7.350 2.849 47 2HD2 LEU 6 2HD2 LEU 6 -8.010 9.102 2.864 48 3HD2 LEU 6 3HD2 LEU 6 -6.860 8.112 1.970 49 H GLU 7 H GLU 7 -10.961 8.785 -1.341 50 HA GLU 7 HA GLU 7 -13.170 7.193 -0.573 51 1HB GLU 7 1HB GLU 7 -13.143 9.503 -0.047 52 2HB GLU 7 2HB GLU 7 -12.859 9.967 -1.701 53 1HG GLU 7 1HG GLU 7 -15.171 9.160 -2.227 54 2HG GLU 7 2HG GLU 7 -15.402 8.888 -0.497 55 H THR 8 H THR 8 -11.646 7.906 -3.563 56 HA THR 8 HA THR 8 -13.763 7.331 -5.274 57 HB THR 8 HB THR 8 -10.797 6.983 -5.722 58 HG1 THR 8 HG1 THR 8 -12.530 9.214 -5.823 59 1HG2 THR 8 1HG2 THR 8 -12.176 5.949 -7.483 60 2HG2 THR 8 2HG2 THR 8 -11.301 7.354 -8.090 61 3HG2 THR 8 3HG2 THR 8 -13.017 7.485 -7.714 62 H TYR 9 H TYR 9 -11.433 5.407 -3.503 63 HA TYR 9 HA TYR 9 -12.004 3.068 -4.943 64 1HB TYR 9 1HB TYR 9 -10.214 3.791 -2.742 65 2HB TYR 9 2HB TYR 9 -10.737 2.106 -2.760 66 HD1 TYR 9 HD1 TYR 9 -9.581 0.620 -4.099 67 HD2 TYR 9 HD2 TYR 9 -9.452 4.751 -5.075 68 HE1 TYR 9 HE1 TYR 9 -8.093 0.125 -5.979 69 HE2 TYR 9 HE2 TYR 9 -7.944 4.261 -6.953 70 HH TYR 9 HH TYR 9 -7.381 0.983 -7.950 71 H LEU 10 H LEU 10 -13.250 4.592 -2.158 72 HA LEU 10 HA LEU 10 -14.678 2.366 -1.178 73 1HB LEU 10 1HB LEU 10 -14.148 4.525 0.074 74 2HB LEU 10 2HB LEU 10 -15.370 5.290 -0.887 75 HG LEU 10 HG LEU 10 -16.157 2.934 0.819 76 1HD1 LEU 10 1HD1 LEU 10 -16.689 4.466 2.623 77 2HD1 LEU 10 2HD1 LEU 10 -15.993 5.803 1.710 78 3HD1 LEU 10 3HD1 LEU 10 -14.960 4.492 2.278 79 1HD2 LEU 10 1HD2 LEU 10 -17.784 3.806 -0.806 80 2HD2 LEU 10 2HD2 LEU 10 -17.629 5.412 -0.097 81 3HD2 LEU 10 3HD2 LEU 10 -18.313 4.094 0.852 82 H GLN 11 H GLN 11 -15.238 4.821 -3.588 83 HA GLN 11 HA GLN 11 -17.977 4.325 -4.044 84 1HB GLN 11 1HB GLN 11 -15.823 5.578 -5.742 85 2HB GLN 11 2HB GLN 11 -17.506 5.522 -6.243 86 1HG GLN 11 1HG GLN 11 -16.414 6.877 -3.783 87 2HG GLN 11 2HG GLN 11 -16.922 7.679 -5.266 88 1HE2 GLN 11 1HE2 GLN 11 -19.258 5.948 -5.626 89 2HE2 GLN 11 2HE2 GLN 11 -20.403 6.452 -4.451 90 H GLN 12 H GLN 12 -14.988 3.072 -5.346 91 HA GLN 12 HA GLN 12 -16.248 1.509 -7.325 92 1HB GLN 12 1HB GLN 12 -13.487 1.193 -6.152 93 2HB GLN 12 2HB GLN 12 -14.060 0.373 -7.594 94 1HG GLN 12 1HG GLN 12 -14.330 2.561 -8.682 95 2HG GLN 12 2HG GLN 12 -13.670 3.335 -7.240 96 1HE2 GLN 12 1HE2 GLN 12 -12.658 3.365 -9.926 97 2HE2 GLN 12 2HE2 GLN 12 -11.054 2.726 -9.877 98 H SER 13 H SER 13 -16.295 1.246 -4.090 99 HA SER 13 HA SER 13 -16.981 -0.187 -2.615 100 1HB SER 13 1HB SER 13 -17.663 -1.990 -4.946 101 2HB SER 13 2HB SER 13 -18.278 -2.165 -3.297 102 HG SER 13 HG SER 13 -18.531 0.254 -4.693 103 H GLY 14 H GLY 14 -14.267 -0.332 -3.940 104 1HA GLY 14 1HA GLY 14 -13.411 -2.946 -2.928 105 2HA GLY 14 2HA GLY 14 -12.534 -1.995 -4.132 106 H GLU 15 H GLU 15 -13.963 -1.548 -1.001 107 HA GLU 15 HA GLU 15 -12.242 0.481 -0.167 108 1HB GLU 15 1HB GLU 15 -13.954 -1.427 1.406 109 2HB GLU 15 2HB GLU 15 -13.136 -0.033 2.097 110 1HG GLU 15 1HG GLU 15 -14.417 1.458 0.733 111 2HG GLU 15 2HG GLU 15 -15.159 0.102 -0.120 112 H TYR 16 H TYR 16 -10.324 0.442 0.515 113 HA TYR 16 HA TYR 16 -9.128 -1.874 1.839 114 1HB TYR 16 1HB TYR 16 -8.677 -1.948 -0.643 115 2HB TYR 16 2HB TYR 16 -7.961 -0.358 -0.522 116 HD1 TYR 16 HD1 TYR 16 -7.596 -3.739 1.021 117 HD2 TYR 16 HD2 TYR 16 -5.640 -0.277 -0.476 118 HE1 TYR 16 HE1 TYR 16 -5.414 -4.836 1.333 119 HE2 TYR 16 HE2 TYR 16 -3.455 -1.370 -0.152 120 HH TYR 16 HH TYR 16 -3.219 -4.697 0.437 121 H GLU 17 H GLU 17 -10.208 1.070 2.172 122 HA GLU 17 HA GLU 17 -7.968 2.160 3.625 123 1HB GLU 17 1HB GLU 17 -9.393 3.751 1.507 124 2HB GLU 17 2HB GLU 17 -8.031 4.257 2.486 125 1HG GLU 17 1HG GLU 17 -6.616 2.632 1.333 126 2HG GLU 17 2HG GLU 17 -7.996 2.152 0.342 127 H ILE 18 H ILE 18 -8.805 4.347 4.527 128 HA ILE 18 HA ILE 18 -11.635 4.246 5.094 129 HB ILE 18 HB ILE 18 -10.546 3.383 7.096 130 1HG1 ILE 18 1HG1 ILE 18 -11.470 6.235 7.583 131 2HG1 ILE 18 2HG1 ILE 18 -12.490 4.809 7.540 132 1HG2 ILE 18 1HG2 ILE 18 -8.936 4.685 8.387 133 2HG2 ILE 18 2HG2 ILE 18 -8.887 5.864 7.073 134 3HG2 ILE 18 3HG2 ILE 18 -8.365 4.193 6.794 135 1HD1 ILE 18 1HD1 ILE 18 -10.351 5.368 9.583 136 2HD1 ILE 18 2HD1 ILE 18 -11.423 3.964 9.559 137 3HD1 ILE 18 3HD1 ILE 18 -12.086 5.576 9.811 138 H HIS 19 H HIS 19 -12.481 6.487 5.765 139 HA HIS 19 HA HIS 19 -11.523 8.505 4.010 140 1HB HIS 19 1HB HIS 19 -13.612 8.556 6.168 141 2HB HIS 19 2HB HIS 19 -13.112 10.034 5.366 142 HD1 HIS 19 HD1 HIS 19 -14.204 10.541 3.141 143 HD2 HIS 19 HD2 HIS 19 -14.888 6.661 4.452 144 HE1 HIS 19 HE1 HIS 19 -15.956 9.595 1.618 145 H MET 20 H MET 20 -9.513 8.333 4.777 146 HA MET 20 HA MET 20 -8.847 10.416 6.748 147 1HB MET 20 1HB MET 20 -7.799 7.665 6.403 148 2HB MET 20 2HB MET 20 -6.672 8.855 7.064 149 1HG MET 20 1HG MET 20 -8.372 9.239 8.873 150 2HG MET 20 2HG MET 20 -9.337 7.947 8.167 151 1HE MET 20 1HE MET 20 -5.378 8.135 8.597 152 2HE MET 20 2HE MET 20 -5.206 7.351 10.166 153 3HE MET 20 3HE MET 20 -6.044 8.898 10.038 154 H LYS 21 H LYS 21 -5.959 9.303 5.493 155 HA LYS 21 HA LYS 21 -6.182 10.727 2.977 156 1HB LYS 21 1HB LYS 21 -5.585 12.405 4.829 157 2HB LYS 21 2HB LYS 21 -4.094 11.520 5.050 158 1HG LYS 21 1HG LYS 21 -4.878 12.890 2.476 159 2HG LYS 21 2HG LYS 21 -3.893 13.628 3.738 160 1HD LYS 21 1HD LYS 21 -2.260 11.838 3.488 161 2HD LYS 21 2HD LYS 21 -3.253 11.115 2.231 162 1HE LYS 21 1HE LYS 21 -2.948 13.133 0.867 163 2HE LYS 21 2HE LYS 21 -1.921 13.805 2.140 164 1HZ LYS 21 1HZ LYS 21 -1.409 11.288 0.670 165 2HZ LYS 21 2HZ LYS 21 -0.437 11.916 1.885 166 3HZ LYS 21 3HZ LYS 21 -0.565 12.742 0.426 167 H ARG 22 H ARG 22 -5.125 9.549 1.476 168 HA ARG 22 HA ARG 22 -3.294 7.426 2.373 169 1HB ARG 22 1HB ARG 22 -4.091 6.162 0.424 170 2HB ARG 22 2HB ARG 22 -5.443 6.971 1.100 171 1HG ARG 22 1HG ARG 22 -5.532 8.570 -0.577 172 2HG ARG 22 2HG ARG 22 -3.908 8.152 -1.132 173 1HD ARG 22 1HD ARG 22 -6.271 6.286 -1.242 174 2HD ARG 22 2HD ARG 22 -5.713 7.271 -2.590 175 HE ARG 22 HE ARG 22 -3.520 5.809 -1.744 176 1HH1 ARG 22 1HH1 ARG 22 -6.749 4.710 -2.532 177 2HH1 ARG 22 2HH1 ARG 22 -6.231 3.493 -3.599 178 1HH2 ARG 22 1HH2 ARG 22 -2.819 4.146 -2.980 179 2HH2 ARG 22 2HH2 ARG 22 -3.884 3.156 -3.927 180 H ALA 23 H ALA 23 -1.512 6.924 0.658 181 HA ALA 23 HA ALA 23 -0.736 9.245 -0.930 182 1HB ALA 23 1HB ALA 23 1.099 8.391 1.312 183 2HB ALA 23 2HB ALA 23 0.131 9.864 1.292 184 3HB ALA 23 3HB ALA 23 1.426 9.645 0.115 185 H GLY 24 H GLY 24 -0.995 7.604 -2.607 186 1HA GLY 24 1HA GLY 24 1.172 5.630 -2.620 187 2HA GLY 24 2HA GLY 24 -0.353 5.466 -3.462 188 H PHE 25 H PHE 25 2.697 7.025 -3.357 189 HA PHE 25 HA PHE 25 2.472 8.258 -5.939 190 1HB PHE 25 1HB PHE 25 4.898 7.610 -4.249 191 2HB PHE 25 2HB PHE 25 4.965 8.498 -5.759 192 HD1 PHE 25 HD1 PHE 25 3.928 8.605 -2.239 193 HD2 PHE 25 HD2 PHE 25 4.298 10.783 -5.874 194 HE1 PHE 25 HE1 PHE 25 3.615 10.711 -1.007 195 HE2 PHE 25 HE2 PHE 25 3.983 12.886 -4.651 196 HZ PHE 25 HZ PHE 25 3.641 12.859 -2.223 197 H ARG 26 H ARG 26 4.441 5.608 -4.732 198 HA ARG 26 HA ARG 26 4.901 4.746 -7.448 199 1HB ARG 26 1HB ARG 26 6.063 4.038 -4.831 200 2HB ARG 26 2HB ARG 26 6.253 2.942 -6.185 201 1HG ARG 26 1HG ARG 26 7.031 5.832 -6.255 202 2HG ARG 26 2HG ARG 26 8.110 4.488 -5.829 203 1HD ARG 26 1HD ARG 26 7.703 3.452 -7.994 204 2HD ARG 26 2HD ARG 26 6.582 4.735 -8.420 205 HE ARG 26 HE ARG 26 9.064 5.836 -7.809 206 1HH1 ARG 26 1HH1 ARG 26 7.497 3.835 -10.275 207 2HH1 ARG 26 2HH1 ARG 26 8.425 4.391 -11.581 208 1HH2 ARG 26 1HH2 ARG 26 10.409 6.628 -9.642 209 2HH2 ARG 26 2HH2 ARG 26 10.146 6.010 -11.201 210 H GLU 27 H GLU 27 3.264 3.602 -4.641 211 HA GLU 27 HA GLU 27 2.716 1.137 -5.888 212 1HB GLU 27 1HB GLU 27 1.998 2.275 -3.323 213 2HB GLU 27 2HB GLU 27 1.006 0.934 -3.926 214 1HG GLU 27 1HG GLU 27 3.002 -0.349 -4.257 215 2HG GLU 27 2HG GLU 27 3.976 0.977 -3.626 216 H CYS 28 H CYS 28 1.422 4.081 -6.423 217 HA CYS 28 HA CYS 28 -1.248 3.745 -6.865 218 1HB CYS 28 1HB CYS 28 -0.050 5.817 -7.424 219 2HB CYS 28 2HB CYS 28 0.782 5.005 -8.739 220 HG CYS 28 HG CYS 28 -2.477 5.929 -8.552 221 H ALA 29 H ALA 29 1.423 2.664 -8.955 222 HA ALA 29 HA ALA 29 -0.190 1.330 -10.884 223 1HB ALA 29 1HB ALA 29 1.907 0.413 -11.691 224 2HB ALA 29 2HB ALA 29 2.725 0.958 -10.229 225 3HB ALA 29 3HB ALA 29 2.077 2.138 -11.369 226 H ALA 30 H ALA 30 1.534 0.310 -8.022 227 HA ALA 30 HA ALA 30 1.259 -2.438 -8.179 228 1HB ALA 30 1HB ALA 30 1.302 -0.719 -5.731 229 2HB ALA 30 2HB ALA 30 2.717 -1.267 -6.631 230 3HB ALA 30 3HB ALA 30 1.682 -2.438 -5.812 231 H MET 31 H MET 31 -0.796 -0.080 -6.587 232 HA MET 31 HA MET 31 -2.547 -1.900 -5.360 233 1HB MET 31 1HB MET 31 -4.160 -0.113 -5.067 234 2HB MET 31 2HB MET 31 -2.547 0.532 -4.812 235 1HG MET 31 1HG MET 31 -2.558 1.502 -7.024 236 2HG MET 31 2HG MET 31 -4.130 0.786 -7.349 237 1HE MET 31 1HE MET 31 -5.037 3.073 -8.141 238 2HE MET 31 2HE MET 31 -3.454 3.793 -7.847 239 3HE MET 31 3HE MET 31 -4.905 4.567 -7.214 240 H ILE 32 H ILE 32 -2.666 -0.546 -8.597 241 HA ILE 32 HA ILE 32 -5.186 -1.506 -9.374 242 HB ILE 32 HB ILE 32 -2.686 -1.134 -11.025 243 1HG1 ILE 32 1HG1 ILE 32 -3.310 0.933 -9.886 244 2HG1 ILE 32 2HG1 ILE 32 -3.596 1.085 -11.614 245 1HG2 ILE 32 1HG2 ILE 32 -4.299 -2.477 -12.254 246 2HG2 ILE 32 2HG2 ILE 32 -4.217 -0.867 -12.969 247 3HG2 ILE 32 3HG2 ILE 32 -5.573 -1.302 -11.928 248 1HD1 ILE 32 1HD1 ILE 32 -5.685 0.597 -9.495 249 2HD1 ILE 32 2HD1 ILE 32 -5.992 0.703 -11.227 250 3HD1 ILE 32 3HD1 ILE 32 -5.387 2.109 -10.351 251 H GLU 33 H GLU 33 -2.026 -2.982 -9.330 252 HA GLU 33 HA GLU 33 -2.769 -5.380 -10.682 253 1HB GLU 33 1HB GLU 33 -0.396 -4.819 -8.905 254 2HB GLU 33 2HB GLU 33 -0.572 -6.124 -10.072 255 1HG GLU 33 1HG GLU 33 -0.462 -3.200 -10.727 256 2HG GLU 33 2HG GLU 33 0.859 -4.350 -10.917 257 H LYS 34 H LYS 34 -2.286 -4.338 -7.383 258 HA LYS 34 HA LYS 34 -2.529 -6.826 -6.131 259 1HB LYS 34 1HB LYS 34 -2.725 -4.007 -5.163 260 2HB LYS 34 2HB LYS 34 -2.989 -5.360 -4.067 261 1HG LYS 34 1HG LYS 34 -0.886 -6.113 -4.228 262 2HG LYS 34 2HG LYS 34 -0.537 -5.350 -5.771 263 1HD LYS 34 1HD LYS 34 -0.551 -3.151 -4.566 264 2HD LYS 34 2HD LYS 34 -0.763 -4.036 -3.050 265 1HE LYS 34 1HE LYS 34 1.310 -5.310 -3.597 266 2HE LYS 34 2HE LYS 34 1.560 -4.250 -4.969 267 1HZ LYS 34 1HZ LYS 34 1.539 -3.431 -2.095 268 2HZ LYS 34 2HZ LYS 34 1.712 -2.351 -3.293 269 3HZ LYS 34 3HZ LYS 34 2.865 -3.553 -3.085 270 H LYS 35 H LYS 35 -4.863 -4.747 -7.414 271 HA LYS 35 HA LYS 35 -7.105 -5.472 -5.851 272 1HB LYS 35 1HB LYS 35 -7.118 -3.544 -7.356 273 2HB LYS 35 2HB LYS 35 -6.943 -4.616 -8.744 274 1HG LYS 35 1HG LYS 35 -9.076 -5.732 -7.865 275 2HG LYS 35 2HG LYS 35 -9.288 -4.248 -6.939 276 1HD LYS 35 1HD LYS 35 -9.305 -2.955 -8.959 277 2HD LYS 35 2HD LYS 35 -8.919 -4.389 -9.918 278 1HE LYS 35 1HE LYS 35 -11.392 -3.955 -8.274 279 2HE LYS 35 2HE LYS 35 -11.289 -3.916 -10.046 280 1HZ LYS 35 1HZ LYS 35 -10.847 -6.303 -8.304 281 2HZ LYS 35 2HZ LYS 35 -10.709 -6.290 -9.987 282 3HZ LYS 35 3HZ LYS 35 -12.184 -5.992 -9.261 283 H ALA 36 H ALA 36 -5.336 -7.061 -8.395 284 HA ALA 36 HA ALA 36 -7.447 -8.624 -9.335 285 1HB ALA 36 1HB ALA 36 -4.480 -9.136 -9.563 286 2HB ALA 36 2HB ALA 36 -5.468 -8.217 -10.701 287 3HB ALA 36 3HB ALA 36 -5.732 -9.950 -10.499 288 H ARG 37 H ARG 37 -4.744 -9.317 -7.154 289 HA ARG 37 HA ARG 37 -6.302 -11.180 -5.646 290 1HB ARG 37 1HB ARG 37 -5.714 -12.636 -7.508 291 2HB ARG 37 2HB ARG 37 -4.024 -12.172 -7.326 292 1HG ARG 37 1HG ARG 37 -3.961 -13.250 -5.131 293 2HG ARG 37 2HG ARG 37 -5.632 -13.775 -5.351 294 1HD ARG 37 1HD ARG 37 -3.942 -15.519 -5.894 295 2HD ARG 37 2HD ARG 37 -5.028 -15.132 -7.226 296 HE ARG 37 HE ARG 37 -3.262 -13.978 -8.309 297 1HH1 ARG 37 1HH1 ARG 37 -2.090 -15.541 -5.351 298 2HH1 ARG 37 2HH1 ARG 37 -0.503 -15.729 -5.915 299 1HH2 ARG 37 1HH2 ARG 37 -1.107 -14.272 -9.098 300 2HH2 ARG 37 2HH2 ARG 37 0.074 -15.018 -8.119 301 H ARG 38 H ARG 38 -2.899 -10.972 -6.476 302 HA ARG 38 HA ARG 38 -2.152 -9.635 -4.118 303 1HB ARG 38 1HB ARG 38 -2.262 -11.779 -3.075 304 2HB ARG 38 2HB ARG 38 -1.599 -12.570 -4.500 305 1HG ARG 38 1HG ARG 38 0.539 -11.340 -4.067 306 2HG ARG 38 2HG ARG 38 -0.143 -10.849 -2.520 307 1HD ARG 38 1HD ARG 38 -0.197 -13.053 -1.721 308 2HD ARG 38 2HD ARG 38 0.006 -13.736 -3.338 309 HE ARG 38 HE ARG 38 2.222 -12.317 -3.071 310 1HH1 ARG 38 1HH1 ARG 38 0.776 -14.697 -0.918 311 2HH1 ARG 38 2HH1 ARG 38 2.266 -15.210 -0.254 312 1HH2 ARG 38 1HH2 ARG 38 4.287 -13.063 -2.198 313 2HH2 ARG 38 2HH2 ARG 38 4.293 -14.280 -1.033 314 H VAL 39 H VAL 39 -0.516 -8.369 -5.018 315 HA VAL 39 HA VAL 39 1.225 -9.683 -6.947 316 HB VAL 39 HB VAL 39 -0.027 -6.963 -7.428 317 1HG1 VAL 39 1HG1 VAL 39 1.868 -8.572 -9.160 318 2HG1 VAL 39 2HG1 VAL 39 2.269 -7.092 -8.294 319 3HG1 VAL 39 3HG1 VAL 39 1.125 -7.045 -9.632 320 1HG2 VAL 39 1HG2 VAL 39 -1.599 -8.783 -7.855 321 2HG2 VAL 39 2HG2 VAL 39 -0.433 -9.550 -8.933 322 3HG2 VAL 39 3HG2 VAL 39 -1.135 -7.994 -9.359 323 H VAL 40 H VAL 40 3.299 -8.976 -6.947 324 HA VAL 40 HA VAL 40 4.077 -7.132 -4.828 325 HB VAL 40 HB VAL 40 5.233 -9.344 -4.846 326 1HG1 VAL 40 1HG1 VAL 40 5.103 -9.877 -7.191 327 2HG1 VAL 40 2HG1 VAL 40 6.777 -9.943 -6.642 328 3HG1 VAL 40 3HG1 VAL 40 6.205 -8.558 -7.574 329 1HG2 VAL 40 1HG2 VAL 40 7.568 -8.561 -4.874 330 2HG2 VAL 40 2HG2 VAL 40 6.499 -7.471 -3.983 331 3HG2 VAL 40 3HG2 VAL 40 7.035 -7.050 -5.611 332 H HIS 41 H HIS 41 5.429 -5.296 -5.342 333 HA HIS 41 HA HIS 41 5.626 -4.703 -8.151 334 1HB HIS 41 1HB HIS 41 3.470 -3.756 -7.292 335 2HB HIS 41 2HB HIS 41 4.383 -2.860 -6.095 336 HD1 HIS 41 HD1 HIS 41 3.847 -2.981 -9.882 337 HD2 HIS 41 HD2 HIS 41 5.159 -0.351 -6.931 338 HE1 HIS 41 HE1 HIS 41 4.237 -0.788 -11.007 339 H ILE 42 H ILE 42 7.605 -4.132 -8.437 340 HA ILE 42 HA ILE 42 9.264 -3.475 -6.209 341 HB ILE 42 HB ILE 42 9.824 -3.716 -9.178 342 1HG1 ILE 42 1HG1 ILE 42 10.497 -5.516 -6.844 343 2HG1 ILE 42 2HG1 ILE 42 9.302 -5.825 -8.094 344 1HG2 ILE 42 1HG2 ILE 42 11.808 -3.283 -6.921 345 2HG2 ILE 42 2HG2 ILE 42 11.410 -2.117 -8.184 346 3HG2 ILE 42 3HG2 ILE 42 12.234 -3.618 -8.601 347 1HD1 ILE 42 1HD1 ILE 42 12.280 -5.649 -8.488 348 2HD1 ILE 42 2HD1 ILE 42 11.089 -5.953 -9.752 349 3HD1 ILE 42 3HD1 ILE 42 11.315 -7.126 -8.454 350 H LYS 43 H LYS 43 10.038 -1.548 -5.762 351 HA LYS 43 HA LYS 43 10.229 0.700 -5.602 352 1HB LYS 43 1HB LYS 43 9.047 0.823 -8.401 353 2HB LYS 43 2HB LYS 43 9.603 2.223 -7.507 354 1HG LYS 43 1HG LYS 43 11.870 1.444 -7.617 355 2HG LYS 43 2HG LYS 43 11.346 -0.077 -8.341 356 1HD LYS 43 1HD LYS 43 10.523 1.092 -10.302 357 2HD LYS 43 2HD LYS 43 10.942 2.644 -9.581 358 1HE LYS 43 1HE LYS 43 12.938 0.467 -10.158 359 2HE LYS 43 2HE LYS 43 12.579 1.788 -11.272 360 1HZ LYS 43 1HZ LYS 43 13.337 3.350 -9.644 361 2HZ LYS 43 2HZ LYS 43 14.545 2.177 -9.857 362 3HZ LYS 43 3HZ LYS 43 13.573 2.147 -8.497 363 HA PRO 44 HA PRO 44 5.753 0.870 -4.617 364 1HB PRO 44 1HB PRO 44 5.723 0.128 -2.071 365 2HB PRO 44 2HB PRO 44 5.880 -1.077 -3.364 366 1HG PRO 44 1HG PRO 44 8.031 0.141 -1.666 367 2HG PRO 44 2HG PRO 44 7.756 -1.570 -2.049 368 1HD PRO 44 1HD PRO 44 9.542 -0.025 -3.402 369 2HD PRO 44 2HD PRO 44 8.671 -1.399 -4.106 370 H GLY 45 H GLY 45 4.685 2.403 -3.000 371 1HA GLY 45 1HA GLY 45 6.148 3.990 -1.256 372 2HA GLY 45 2HA GLY 45 6.074 4.812 -2.808 373 H GLU 46 H GLU 46 3.774 2.862 -0.916 374 HA GLU 46 HA GLU 46 1.938 5.124 -0.921 375 1HB GLU 46 1HB GLU 46 0.976 3.579 -2.336 376 2HB GLU 46 2HB GLU 46 1.493 2.194 -1.404 377 1HG GLU 46 1HG GLU 46 -0.874 2.347 -1.200 378 2HG GLU 46 2HG GLU 46 -0.219 2.922 0.328 379 H LYS 47 H LYS 47 0.829 5.489 0.877 380 HA LYS 47 HA LYS 47 1.274 3.915 3.234 381 1HB LYS 47 1HB LYS 47 1.953 6.837 2.960 382 2HB LYS 47 2HB LYS 47 1.513 6.150 4.507 383 1HG LYS 47 1HG LYS 47 3.737 4.929 2.936 384 2HG LYS 47 2HG LYS 47 4.019 6.427 3.815 385 1HD LYS 47 1HD LYS 47 4.696 4.596 5.230 386 2HD LYS 47 2HD LYS 47 3.226 5.286 5.887 387 1HE LYS 47 1HE LYS 47 1.911 3.458 5.030 388 2HE LYS 47 2HE LYS 47 3.312 2.787 4.180 389 1HZ LYS 47 1HZ LYS 47 2.999 3.013 7.147 390 2HZ LYS 47 2HZ LYS 47 4.349 2.440 6.335 391 3HZ LYS 47 3HZ LYS 47 2.928 1.590 6.227 392 H ILE 48 H ILE 48 -0.834 3.315 2.717 393 HA ILE 48 HA ILE 48 -2.819 5.251 2.475 394 HB ILE 48 HB ILE 48 -4.454 3.389 2.880 395 1HG1 ILE 48 1HG1 ILE 48 -2.009 1.606 2.746 396 2HG1 ILE 48 2HG1 ILE 48 -2.973 1.893 4.187 397 1HG2 ILE 48 1HG2 ILE 48 -2.531 3.076 0.611 398 2HG2 ILE 48 2HG2 ILE 48 -3.999 4.055 0.658 399 3HG2 ILE 48 3HG2 ILE 48 -4.108 2.299 0.705 400 1HD1 ILE 48 1HD1 ILE 48 -4.892 0.835 3.098 401 2HD1 ILE 48 2HD1 ILE 48 -3.501 -0.248 3.175 402 3HD1 ILE 48 3HD1 ILE 48 -3.912 0.554 1.659 403 H LEU 49 H LEU 49 -3.122 6.533 4.028 404 HA LEU 49 HA LEU 49 -3.985 7.460 5.838 405 1HB LEU 49 1HB LEU 49 -4.657 4.786 7.043 406 2HB LEU 49 2HB LEU 49 -5.382 6.327 7.404 407 HG LEU 49 HG LEU 49 -7.054 5.505 6.219 408 1HD1 LEU 49 1HD1 LEU 49 -7.131 6.024 3.897 409 2HD1 LEU 49 2HD1 LEU 49 -5.397 6.336 3.920 410 3HD1 LEU 49 3HD1 LEU 49 -6.483 7.338 4.883 411 1HD2 LEU 49 1HD2 LEU 49 -5.166 3.721 4.718 412 2HD2 LEU 49 2HD2 LEU 49 -6.908 3.772 4.453 413 3HD2 LEU 49 3HD2 LEU 49 -6.268 3.268 6.019 414 H GLY 50 H GLY 50 -1.739 5.037 6.192 415 1HA GLY 50 1HA GLY 50 0.281 5.283 7.481 416 2HA GLY 50 2HA GLY 50 -0.638 6.226 8.662 417 H ALA 51 H ALA 51 -2.956 4.462 8.445 418 HA ALA 51 HA ALA 51 -1.990 2.112 9.827 419 1HB ALA 51 1HB ALA 51 -4.421 3.827 10.388 420 2HB ALA 51 2HB ALA 51 -3.019 3.643 11.437 421 3HB ALA 51 3HB ALA 51 -4.095 2.274 11.153 422 H ARG 52 H ARG 52 -3.252 0.271 9.187 423 HA ARG 52 HA ARG 52 -4.574 0.912 6.686 424 1HB ARG 52 1HB ARG 52 -4.305 -1.510 6.035 425 2HB ARG 52 2HB ARG 52 -2.842 -0.552 6.138 426 1HG ARG 52 1HG ARG 52 -3.348 -1.858 8.643 427 2HG ARG 52 2HG ARG 52 -3.361 -3.030 7.324 428 1HD ARG 52 1HD ARG 52 -1.121 -2.809 8.213 429 2HD ARG 52 2HD ARG 52 -1.172 -2.183 6.574 430 HE ARG 52 HE ARG 52 -1.591 -0.072 8.351 431 1HH1 ARG 52 1HH1 ARG 52 1.000 -2.256 7.345 432 2HH1 ARG 52 2HH1 ARG 52 2.270 -1.237 7.803 433 1HH2 ARG 52 1HH2 ARG 52 0.177 1.416 9.005 434 2HH2 ARG 52 2HH2 ARG 52 1.771 0.891 8.798 435 H ILE 53 H ILE 53 -6.577 1.379 6.996 436 HA ILE 53 HA ILE 53 -8.192 -0.600 8.386 437 HB ILE 53 HB ILE 53 -8.658 2.344 7.849 438 1HG1 ILE 53 1HG1 ILE 53 -9.072 2.374 10.418 439 2HG1 ILE 53 2HG1 ILE 53 -8.259 0.817 10.412 440 1HG2 ILE 53 1HG2 ILE 53 -10.574 0.331 9.081 441 2HG2 ILE 53 2HG2 ILE 53 -10.763 1.116 7.515 442 3HG2 ILE 53 3HG2 ILE 53 -10.871 2.066 8.998 443 1HD1 ILE 53 1HD1 ILE 53 -6.747 2.601 11.004 444 2HD1 ILE 53 2HD1 ILE 53 -7.099 3.429 9.488 445 3HD1 ILE 53 3HD1 ILE 53 -6.273 1.870 9.471 446 H ILE 54 H ILE 54 -9.255 -1.815 6.970 447 HA ILE 54 HA ILE 54 -9.263 -0.984 4.208 448 HB ILE 54 HB ILE 54 -9.849 -3.600 5.592 449 1HG1 ILE 54 1HG1 ILE 54 -8.087 -4.469 4.054 450 2HG1 ILE 54 2HG1 ILE 54 -7.902 -2.863 3.385 451 1HG2 ILE 54 1HG2 ILE 54 -10.419 -3.105 2.678 452 2HG2 ILE 54 2HG2 ILE 54 -11.591 -3.435 3.941 453 3HG2 ILE 54 3HG2 ILE 54 -10.421 -4.673 3.487 454 1HD1 ILE 54 1HD1 ILE 54 -7.282 -3.729 6.197 455 2HD1 ILE 54 2HD1 ILE 54 -7.142 -2.079 5.593 456 3HD1 ILE 54 3HD1 ILE 54 -6.119 -3.350 4.925 457 H GLY 55 H GLY 55 -11.547 -1.527 6.765 458 1HA GLY 55 1HA GLY 55 -13.667 -0.508 6.900 459 2HA GLY 55 2HA GLY 55 -13.593 -0.186 5.168 460 H ILE 56 H ILE 56 -12.554 -3.202 5.531 461 HA ILE 56 HA ILE 56 -15.151 -4.548 5.500 462 HB ILE 56 HB ILE 56 -12.936 -4.978 3.428 463 1HG1 ILE 56 1HG1 ILE 56 -15.713 -3.841 3.006 464 2HG1 ILE 56 2HG1 ILE 56 -14.226 -2.904 2.995 465 1HG2 ILE 56 1HG2 ILE 56 -14.469 -6.552 2.360 466 2HG2 ILE 56 2HG2 ILE 56 -15.639 -6.278 3.649 467 3HG2 ILE 56 3HG2 ILE 56 -14.090 -7.038 4.016 468 1HD1 ILE 56 1HD1 ILE 56 -14.964 -5.081 1.045 469 2HD1 ILE 56 2HD1 ILE 56 -13.475 -4.134 1.016 470 3HD1 ILE 56 3HD1 ILE 56 -15.028 -3.346 0.736 471 HA PRO 57 HA PRO 57 -12.747 -6.905 8.512 472 1HB PRO 57 1HB PRO 57 -14.436 -9.164 7.558 473 2HB PRO 57 2HB PRO 57 -14.137 -8.603 9.205 474 1HG PRO 57 1HG PRO 57 -16.446 -8.074 8.027 475 2HG PRO 57 2HG PRO 57 -15.645 -6.844 9.022 476 1HD PRO 57 1HD PRO 57 -15.801 -7.072 6.047 477 2HD PRO 57 2HD PRO 57 -15.879 -5.627 7.078 478 HA PRO 58 HA PRO 58 -10.156 -9.282 5.615 479 1HB PRO 58 1HB PRO 58 -8.002 -7.829 5.779 480 2HB PRO 58 2HB PRO 58 -9.466 -7.120 5.077 481 1HG PRO 58 1HG PRO 58 -8.214 -6.582 7.723 482 2HG PRO 58 2HG PRO 58 -9.198 -5.512 6.709 483 1HD PRO 58 1HD PRO 58 -10.055 -7.211 8.913 484 2HD PRO 58 2HD PRO 58 -11.013 -6.041 7.968 485 H VAL 59 H VAL 59 -7.714 -9.936 5.990 486 HA VAL 59 HA VAL 59 -7.351 -10.832 8.765 487 HB VAL 59 HB VAL 59 -6.085 -12.031 6.269 488 1HG1 VAL 59 1HG1 VAL 59 -6.201 -13.052 9.101 489 2HG1 VAL 59 2HG1 VAL 59 -4.790 -12.381 8.290 490 3HG1 VAL 59 3HG1 VAL 59 -5.486 -13.903 7.732 491 1HG2 VAL 59 1HG2 VAL 59 -8.493 -12.426 6.197 492 2HG2 VAL 59 2HG2 VAL 59 -8.450 -13.072 7.836 493 3HG2 VAL 59 3HG2 VAL 59 -7.630 -13.928 6.527 494 HA PRO 60 HA PRO 60 -4.140 -7.573 8.401 495 1HB PRO 60 1HB PRO 60 -3.586 -8.557 11.136 496 2HB PRO 60 2HB PRO 60 -3.893 -6.908 10.584 497 1HG PRO 60 1HG PRO 60 -5.735 -8.205 11.965 498 2HG PRO 60 2HG PRO 60 -6.200 -7.209 10.582 499 1HD PRO 60 1HD PRO 60 -5.921 -10.184 10.741 500 2HD PRO 60 2HD PRO 60 -7.191 -9.200 9.970 501 H ILE 61 H ILE 61 -2.319 -8.045 7.314 502 HA ILE 61 HA ILE 61 -0.701 -10.201 8.422 503 HB ILE 61 HB ILE 61 -1.189 -9.723 5.459 504 1HG1 ILE 61 1HG1 ILE 61 -3.029 -10.958 6.544 505 2HG1 ILE 61 2HG1 ILE 61 -2.146 -11.966 5.408 506 1HG2 ILE 61 1HG2 ILE 61 0.298 -11.646 5.068 507 2HG2 ILE 61 2HG2 ILE 61 0.631 -11.730 6.798 508 3HG2 ILE 61 3HG2 ILE 61 1.138 -10.318 5.872 509 1HD1 ILE 61 1HD1 ILE 61 -2.727 -13.192 7.423 510 2HD1 ILE 61 2HD1 ILE 61 -1.863 -12.015 8.409 511 3HD1 ILE 61 3HD1 ILE 61 -0.976 -13.035 7.275 512 H GLY 62 H GLY 62 0.762 -8.993 9.329 513 1HA GLY 62 1HA GLY 62 2.096 -7.059 7.612 514 2HA GLY 62 2HA GLY 62 1.952 -6.830 9.359 515 H ILE 63 H ILE 63 3.358 -8.683 6.846 516 HA ILE 63 HA ILE 63 5.402 -9.788 8.672 517 HB ILE 63 HB ILE 63 4.255 -11.051 6.158 518 1HG1 ILE 63 1HG1 ILE 63 2.712 -11.264 8.061 519 2HG1 ILE 63 2HG1 ILE 63 3.374 -12.826 7.610 520 1HG2 ILE 63 1HG2 ILE 63 6.610 -11.556 6.333 521 2HG2 ILE 63 2HG2 ILE 63 5.660 -13.004 6.667 522 3HG2 ILE 63 3HG2 ILE 63 6.394 -12.108 7.995 523 1HD1 ILE 63 1HD1 ILE 63 4.927 -12.700 9.502 524 2HD1 ILE 63 2HD1 ILE 63 3.244 -12.591 10.017 525 3HD1 ILE 63 3HD1 ILE 63 4.240 -11.138 9.953 526 H ASP 64 H ASP 64 7.237 -8.723 8.263 527 HA ASP 64 HA ASP 64 7.818 -8.099 5.472 528 1HB ASP 64 1HB ASP 64 8.936 -6.010 6.180 529 2HB ASP 64 2HB ASP 64 7.196 -5.993 6.438 530 H GLU 65 H GLU 65 9.622 -8.788 4.695 531 HA GLU 65 HA GLU 65 11.538 -10.010 6.473 532 1HB GLU 65 1HB GLU 65 11.420 -9.792 3.462 533 2HB GLU 65 2HB GLU 65 12.756 -10.557 4.313 534 1HG GLU 65 1HG GLU 65 11.228 -12.166 5.291 535 2HG GLU 65 2HG GLU 65 9.873 -11.401 4.465 536 H GLU 66 H GLU 66 11.512 -7.363 4.149 537 HA GLU 66 HA GLU 66 13.154 -5.702 5.714 538 1HB GLU 66 1HB GLU 66 14.856 -7.308 4.673 539 2HB GLU 66 2HB GLU 66 14.331 -6.690 3.107 540 1HG GLU 66 1HG GLU 66 14.974 -4.396 3.987 541 2HG GLU 66 2HG GLU 66 15.802 -5.258 5.286 542 H ARG 67 H ARG 67 13.465 -3.673 4.370 543 HA ARG 67 HA ARG 67 11.067 -3.174 2.907 544 1HB ARG 67 1HB ARG 67 12.121 -1.516 4.439 545 2HB ARG 67 2HB ARG 67 13.419 -1.360 3.267 546 1HG ARG 67 1HG ARG 67 11.605 0.441 3.240 547 2HG ARG 67 2HG ARG 67 12.032 -0.297 1.695 548 1HD ARG 67 1HD ARG 67 10.090 -1.454 1.535 549 2HD ARG 67 2HD ARG 67 9.842 -1.528 3.278 550 HE ARG 67 HE ARG 67 8.559 0.299 3.123 551 1HH1 ARG 67 1HH1 ARG 67 10.551 0.291 0.218 552 2HH1 ARG 67 2HH1 ARG 67 9.866 1.728 -0.423 553 1HH2 ARG 67 1HH2 ARG 67 7.572 2.240 2.170 554 2HH2 ARG 67 2HH2 ARG 67 8.170 2.829 0.679 555 H SER 68 H SER 68 14.360 -3.861 2.055 556 HA SER 68 HA SER 68 13.617 -3.276 -0.644 557 1HB SER 68 1HB SER 68 15.733 -2.288 0.134 558 2HB SER 68 2HB SER 68 16.354 -3.885 0.550 559 HG SER 68 HG SER 68 15.491 -3.417 -2.056 560 H THR 69 H THR 69 12.478 -5.367 0.720 561 HA THR 69 HA THR 69 13.070 -7.582 -1.029 562 HB THR 69 HB THR 69 12.881 -7.950 1.986 563 HG1 THR 69 HG1 THR 69 14.971 -7.313 0.379 564 1HG2 THR 69 1HG2 THR 69 13.676 -10.248 1.517 565 2HG2 THR 69 2HG2 THR 69 13.700 -9.883 -0.207 566 3HG2 THR 69 3HG2 THR 69 12.168 -9.913 0.667 567 H VAL 70 H VAL 70 11.182 -9.093 -0.896 568 HA VAL 70 HA VAL 70 8.716 -7.714 -0.968 569 HB VAL 70 HB VAL 70 7.692 -9.927 -1.260 570 1HG1 VAL 70 1HG1 VAL 70 8.803 -10.512 -3.353 571 2HG1 VAL 70 2HG1 VAL 70 10.163 -9.482 -2.898 572 3HG1 VAL 70 3HG1 VAL 70 8.572 -8.774 -3.166 573 1HG2 VAL 70 1HG2 VAL 70 10.486 -10.985 -0.857 574 2HG2 VAL 70 2HG2 VAL 70 9.112 -11.925 -1.430 575 3HG2 VAL 70 3HG2 VAL 70 9.107 -11.262 0.207 576 H MET 71 H MET 71 7.433 -7.125 0.465 577 HA MET 71 HA MET 71 7.147 -8.687 2.934 578 1HB MET 71 1HB MET 71 6.923 -6.679 4.255 579 2HB MET 71 2HB MET 71 8.467 -6.620 3.412 580 1HG MET 71 1HG MET 71 7.687 -4.991 1.908 581 2HG MET 71 2HG MET 71 6.008 -5.260 2.363 582 1HE MET 71 1HE MET 71 9.379 -3.704 3.342 583 2HE MET 71 2HE MET 71 9.184 -4.855 4.656 584 3HE MET 71 3HE MET 71 9.141 -3.110 4.985 585 H ILE 72 H ILE 72 5.086 -8.590 3.844 586 HA ILE 72 HA ILE 72 2.985 -7.400 2.185 587 HB ILE 72 HB ILE 72 2.761 -9.939 3.870 588 1HG1 ILE 72 1HG1 ILE 72 2.817 -9.660 0.861 589 2HG1 ILE 72 2HG1 ILE 72 4.130 -10.308 1.833 590 1HG2 ILE 72 1HG2 ILE 72 0.541 -10.166 2.815 591 2HG2 ILE 72 2HG2 ILE 72 0.794 -8.639 1.971 592 3HG2 ILE 72 3HG2 ILE 72 0.680 -8.663 3.730 593 1HD1 ILE 72 1HD1 ILE 72 2.690 -12.173 2.519 594 2HD1 ILE 72 2HD1 ILE 72 2.865 -12.093 0.766 595 3HD1 ILE 72 3HD1 ILE 72 1.385 -11.519 1.531 596 HA PRO 73 HA PRO 73 2.760 -5.731 6.418 597 1HB PRO 73 1HB PRO 73 3.192 -3.210 5.867 598 2HB PRO 73 2HB PRO 73 4.498 -4.392 5.696 599 1HG PRO 73 1HG PRO 73 2.929 -3.010 3.581 600 2HG PRO 73 2HG PRO 73 4.588 -3.626 3.526 601 1HD PRO 73 1HD PRO 73 2.170 -4.924 2.616 602 2HD PRO 73 2HD PRO 73 3.838 -5.524 2.530 603 H TYR 74 H TYR 74 0.203 -6.421 5.058 604 HA TYR 74 HA TYR 74 -1.290 -4.171 5.860 605 1HB TYR 74 1HB TYR 74 -1.472 -5.176 3.045 606 2HB TYR 74 2HB TYR 74 -2.691 -4.175 3.835 607 HD1 TYR 74 HD1 TYR 74 -1.959 -1.841 4.619 608 HD2 TYR 74 HD2 TYR 74 0.362 -4.167 1.930 609 HE1 TYR 74 HE1 TYR 74 -0.731 0.176 3.949 610 HE2 TYR 74 HE2 TYR 74 1.602 -2.152 1.244 611 HH TYR 74 HH TYR 74 1.377 0.277 1.253 612 H THR 75 H THR 75 -2.636 -6.300 3.826 613 HA THR 75 HA THR 75 -3.688 -8.058 5.902 614 HB THR 75 HB THR 75 -5.920 -7.401 5.012 615 HG1 THR 75 HG1 THR 75 -4.961 -4.789 4.846 616 1HG2 THR 75 1HG2 THR 75 -6.213 -5.559 6.757 617 2HG2 THR 75 2HG2 THR 75 -4.484 -5.756 7.090 618 3HG2 THR 75 3HG2 THR 75 -5.612 -7.107 7.311 619 H LYS 76 H LYS 76 -5.484 -9.321 4.948 620 HA LYS 76 HA LYS 76 -5.349 -9.808 2.052 621 1HB LYS 76 1HB LYS 76 -5.959 -11.756 4.307 622 2HB LYS 76 2HB LYS 76 -6.139 -12.126 2.607 623 1HG LYS 76 1HG LYS 76 -3.750 -11.894 2.280 624 2HG LYS 76 2HG LYS 76 -3.554 -11.451 3.978 625 1HD LYS 76 1HD LYS 76 -4.370 -13.620 4.677 626 2HD LYS 76 2HD LYS 76 -4.708 -14.064 3.004 627 1HE LYS 76 1HE LYS 76 -2.355 -13.904 2.480 628 2HE LYS 76 2HE LYS 76 -1.978 -13.447 4.137 629 1HZ LYS 76 1HZ LYS 76 -3.177 -16.032 3.297 630 2HZ LYS 76 2HZ LYS 76 -2.768 -15.610 4.875 631 3HZ LYS 76 3HZ LYS 76 -1.575 -15.794 3.709 632 HA PRO 77 HA PRO 77 -9.570 -8.553 3.184 633 1HB PRO 77 1HB PRO 77 -9.681 -6.275 1.813 634 2HB PRO 77 2HB PRO 77 -8.802 -6.396 3.340 635 1HG PRO 77 1HG PRO 77 -7.750 -6.111 0.616 636 2HG PRO 77 2HG PRO 77 -6.969 -5.804 2.175 637 1HD PRO 77 1HD PRO 77 -6.801 -8.173 0.480 638 2HD PRO 77 2HD PRO 77 -5.842 -7.751 1.915 639 H CYS 78 H CYS 78 -11.265 -7.451 1.584 640 HA CYS 78 HA CYS 78 -11.938 -9.288 -0.444 641 1HB CYS 78 1HB CYS 78 -13.595 -8.150 0.935 642 2HB CYS 78 2HB CYS 78 -13.059 -6.590 0.334 643 HG CYS 78 HG CYS 78 -13.836 -8.256 -2.284 644 H TYR 79 H TYR 79 -10.133 -6.363 -0.340 645 HA TYR 79 HA TYR 79 -10.481 -5.685 -3.070 646 1HB TYR 79 1HB TYR 79 -9.941 -3.942 -1.453 647 2HB TYR 79 2HB TYR 79 -8.416 -4.735 -1.072 648 HD1 TYR 79 HD1 TYR 79 -10.274 -3.080 -3.827 649 HD2 TYR 79 HD2 TYR 79 -6.469 -4.194 -2.282 650 HE1 TYR 79 HE1 TYR 79 -9.176 -1.761 -5.580 651 HE2 TYR 79 HE2 TYR 79 -5.364 -2.874 -4.034 652 HH TYR 79 HH TYR 79 -5.867 -2.020 -6.259 653 H GLY 80 H GLY 80 -7.451 -6.600 -1.362 654 1HA GLY 80 1HA GLY 80 -6.787 -8.818 -2.815 655 2HA GLY 80 2HA GLY 80 -6.157 -7.435 -3.711 656 H THR 81 H THR 81 -4.429 -9.259 -2.669 657 HA THR 81 HA THR 81 -3.450 -8.211 -0.129 658 HB THR 81 HB THR 81 -2.340 -10.503 -1.724 659 HG1 THR 81 HG1 THR 81 -4.738 -10.378 -0.953 660 1HG2 THR 81 1HG2 THR 81 -1.626 -11.334 0.497 661 2HG2 THR 81 2HG2 THR 81 -2.373 -9.929 1.255 662 3HG2 THR 81 3HG2 THR 81 -0.986 -9.719 0.186 663 H ALA 82 H ALA 82 -1.279 -7.582 0.094 664 HA ALA 82 HA ALA 82 -0.256 -6.501 -2.413 665 1HB ALA 82 1HB ALA 82 -0.449 -5.086 0.220 666 2HB ALA 82 2HB ALA 82 -1.460 -4.801 -1.193 667 3HB ALA 82 3HB ALA 82 0.269 -4.433 -1.249 668 H VAL 83 H VAL 83 1.804 -7.025 -2.777 669 HA VAL 83 HA VAL 83 3.669 -7.444 -0.515 670 HB VAL 83 HB VAL 83 3.987 -8.486 -3.338 671 1HG1 VAL 83 1HG1 VAL 83 5.239 -9.332 -0.738 672 2HG1 VAL 83 2HG1 VAL 83 5.993 -8.351 -1.994 673 3HG1 VAL 83 3HG1 VAL 83 5.575 -10.033 -2.322 674 1HG2 VAL 83 1HG2 VAL 83 3.241 -10.698 -2.610 675 2HG2 VAL 83 2HG2 VAL 83 1.943 -9.511 -2.508 676 3HG2 VAL 83 3HG2 VAL 83 2.778 -10.035 -1.048 677 H VAL 84 H VAL 84 5.288 -6.016 -0.494 678 HA VAL 84 HA VAL 84 5.630 -4.415 -2.933 679 HB VAL 84 HB VAL 84 5.649 -2.363 -1.804 680 1HG1 VAL 84 1HG1 VAL 84 3.459 -3.129 -1.537 681 2HG1 VAL 84 2HG1 VAL 84 3.929 -2.194 -0.122 682 3HG1 VAL 84 3HG1 VAL 84 3.871 -3.953 -0.035 683 1HG2 VAL 84 1HG2 VAL 84 6.367 -3.725 0.805 684 2HG2 VAL 84 2HG2 VAL 84 6.222 -1.986 0.554 685 3HG2 VAL 84 3HG2 VAL 84 7.506 -2.892 -0.249 686 H GLU 85 H GLU 85 7.793 -4.005 -3.538 687 HA GLU 85 HA GLU 85 9.865 -4.843 -1.702 688 1HB GLU 85 1HB GLU 85 9.421 -6.860 -3.036 689 2HB GLU 85 2HB GLU 85 9.627 -5.938 -4.525 690 1HG GLU 85 1HG GLU 85 11.957 -5.598 -4.041 691 2HG GLU 85 2HG GLU 85 11.742 -6.331 -2.448 692 H LEU 86 H LEU 86 11.375 -3.359 -1.666 693 HA LEU 86 HA LEU 86 11.318 -1.301 -3.731 694 1HB LEU 86 1HB LEU 86 10.999 -0.716 -1.361 695 2HB LEU 86 2HB LEU 86 12.575 -1.370 -0.993 696 HG LEU 86 HG LEU 86 13.476 0.381 -2.599 697 1HD1 LEU 86 1HD1 LEU 86 12.138 2.365 -2.891 698 2HD1 LEU 86 2HD1 LEU 86 10.754 1.546 -2.165 699 3HD1 LEU 86 3HD1 LEU 86 11.417 0.971 -3.694 700 1HD2 LEU 86 1HD2 LEU 86 13.480 2.082 -0.843 701 2HD2 LEU 86 2HD2 LEU 86 13.761 0.474 -0.185 702 3HD2 LEU 86 3HD2 LEU 86 12.177 1.232 -0.021 703 HA PRO 87 HA PRO 87 15.400 -2.941 -4.909 704 1HB PRO 87 1HB PRO 87 15.944 -1.301 -6.944 705 2HB PRO 87 2HB PRO 87 14.633 -2.483 -7.071 706 1HG PRO 87 1HG PRO 87 14.493 0.452 -6.526 707 2HG PRO 87 2HG PRO 87 13.454 -0.545 -7.555 708 1HD PRO 87 1HD PRO 87 12.844 0.243 -4.972 709 2HD PRO 87 2HD PRO 87 12.116 -1.148 -5.804 710 H VAL 88 H VAL 88 14.723 -0.091 -3.489 711 HA VAL 88 HA VAL 88 17.432 1.046 -3.522 712 HB VAL 88 HB VAL 88 14.939 2.288 -2.325 713 1HG1 VAL 88 1HG1 VAL 88 17.508 3.571 -3.242 714 2HG1 VAL 88 2HG1 VAL 88 16.998 3.312 -1.574 715 3HG1 VAL 88 3HG1 VAL 88 16.102 4.422 -2.605 716 1HG2 VAL 88 1HG2 VAL 88 14.457 1.873 -4.660 717 2HG2 VAL 88 2HG2 VAL 88 15.957 2.671 -5.135 718 3HG2 VAL 88 3HG2 VAL 88 14.662 3.600 -4.377 719 H ASP 89 H ASP 89 18.141 1.841 -1.336 720 HA ASP 89 HA ASP 89 18.204 -0.297 0.476 721 1HB ASP 89 1HB ASP 89 20.029 1.319 0.126 722 2HB ASP 89 2HB ASP 89 19.043 2.587 0.812 723 HA PRO 90 HA PRO 90 14.609 0.313 3.065 724 1HB PRO 90 1HB PRO 90 16.030 -0.038 5.505 725 2HB PRO 90 2HB PRO 90 15.068 -1.228 4.635 726 1HG PRO 90 1HG PRO 90 17.998 -0.845 4.668 727 2HG PRO 90 2HG PRO 90 17.049 -2.296 4.326 728 1HD PRO 90 1HD PRO 90 18.364 -0.922 2.430 729 2HD PRO 90 2HD PRO 90 16.852 -1.794 2.102 730 H GLU 91 H GLU 91 17.341 2.411 3.274 731 HA GLU 91 HA GLU 91 16.637 4.150 5.356 732 1HB GLU 91 1HB GLU 91 17.883 5.878 4.136 733 2HB GLU 91 2HB GLU 91 18.762 4.360 4.275 734 1HG GLU 91 1HG GLU 91 18.279 3.798 2.029 735 2HG GLU 91 2HG GLU 91 17.189 5.165 1.845 736 H GLU 92 H GLU 92 15.175 3.665 2.311 737 HA GLU 92 HA GLU 92 13.875 6.112 1.994 738 1HB GLU 92 1HB GLU 92 13.069 3.341 1.158 739 2HB GLU 92 2HB GLU 92 12.114 4.763 0.757 740 1HG GLU 92 1HG GLU 92 15.000 4.370 -0.002 741 2HG GLU 92 2HG GLU 92 13.626 4.051 -1.058 742 H ILE 93 H ILE 93 13.376 3.654 4.346 743 HA ILE 93 HA ILE 93 10.681 4.192 4.960 744 HB ILE 93 HB ILE 93 12.918 3.147 6.662 745 1HG1 ILE 93 1HG1 ILE 93 12.182 1.661 4.879 746 2HG1 ILE 93 2HG1 ILE 93 11.797 0.979 6.453 747 1HG2 ILE 93 1HG2 ILE 93 11.316 4.224 8.171 748 2HG2 ILE 93 2HG2 ILE 93 11.264 2.473 8.366 749 3HG2 ILE 93 3HG2 ILE 93 9.998 3.294 7.454 750 1HD1 ILE 93 1HD1 ILE 93 9.862 2.344 4.581 751 2HD1 ILE 93 2HD1 ILE 93 9.471 1.740 6.188 752 3HD1 ILE 93 3HD1 ILE 93 9.965 0.616 4.923 753 H GLU 94 H GLU 94 13.679 5.791 5.968 754 HA GLU 94 HA GLU 94 12.511 7.467 7.918 755 1HB GLU 94 1HB GLU 94 14.919 7.916 6.134 756 2HB GLU 94 2HB GLU 94 14.427 9.071 7.356 757 1HG GLU 94 1HG GLU 94 16.245 7.758 8.201 758 2HG GLU 94 2HG GLU 94 14.789 7.338 9.086 759 H ARG 95 H ARG 95 12.829 7.748 4.490 760 HA ARG 95 HA ARG 95 11.719 10.338 4.110 761 1HB ARG 95 1HB ARG 95 13.073 9.234 2.421 762 2HB ARG 95 2HB ARG 95 11.921 7.915 2.326 763 1HG ARG 95 1HG ARG 95 10.236 9.609 1.533 764 2HG ARG 95 2HG ARG 95 11.584 10.741 1.380 765 1HD ARG 95 1HD ARG 95 12.729 9.099 -0.069 766 2HD ARG 95 2HD ARG 95 11.300 8.073 0.034 767 HE ARG 95 HE ARG 95 10.497 10.594 -0.790 768 1HH1 ARG 95 1HH1 ARG 95 12.333 7.828 -2.091 769 2HH1 ARG 95 2HH1 ARG 95 11.988 8.230 -3.706 770 1HH2 ARG 95 1HH2 ARG 95 10.028 11.081 -3.018 771 2HH2 ARG 95 2HH2 ARG 95 10.662 10.093 -4.254 772 H ILE 96 H ILE 96 10.465 7.066 3.942 773 HA ILE 96 HA ILE 96 7.809 7.826 3.276 774 HB ILE 96 HB ILE 96 9.093 5.205 4.043 775 1HG1 ILE 96 1HG1 ILE 96 9.860 6.043 1.921 776 2HG1 ILE 96 2HG1 ILE 96 8.844 4.636 1.651 777 1HG2 ILE 96 1HG2 ILE 96 6.287 5.576 2.955 778 2HG2 ILE 96 2HG2 ILE 96 6.686 5.064 4.590 779 3HG2 ILE 96 3HG2 ILE 96 7.085 4.025 3.220 780 1HD1 ILE 96 1HD1 ILE 96 8.049 7.522 1.244 781 2HD1 ILE 96 2HD1 ILE 96 6.989 6.131 1.021 782 3HD1 ILE 96 3HD1 ILE 96 8.400 6.335 -0.011 783 H LEU 97 H LEU 97 9.495 7.793 6.165 784 HA LEU 97 HA LEU 97 7.244 7.337 7.898 785 1HB LEU 97 1HB LEU 97 9.570 6.865 8.605 786 2HB LEU 97 2HB LEU 97 9.966 8.557 8.431 787 HG LEU 97 HG LEU 97 8.403 9.084 10.285 788 1HD1 LEU 97 1HD1 LEU 97 7.562 7.264 11.687 789 2HD1 LEU 97 2HD1 LEU 97 8.173 6.087 10.523 790 3HD1 LEU 97 3HD1 LEU 97 6.886 7.201 10.061 791 1HD2 LEU 97 1HD2 LEU 97 10.785 8.764 10.709 792 2HD2 LEU 97 2HD2 LEU 97 10.519 7.034 10.936 793 3HD2 LEU 97 3HD2 LEU 97 9.815 8.193 12.066 794 H GLU 98 H GLU 98 8.876 9.953 6.357 795 HA GLU 98 HA GLU 98 7.488 12.111 7.647 796 1HB GLU 98 1HB GLU 98 9.762 12.255 6.573 797 2HB GLU 98 2HB GLU 98 8.983 11.959 5.035 798 1HG GLU 98 1HG GLU 98 9.533 14.322 5.367 799 2HG GLU 98 2HG GLU 98 7.808 14.041 5.145 800 H VAL 99 H VAL 99 7.210 10.130 4.860 801 HA VAL 99 HA VAL 99 4.828 11.506 3.869 802 HB VAL 99 HB VAL 99 6.570 9.348 2.616 803 1HG1 VAL 99 1HG1 VAL 99 5.500 10.001 0.457 804 2HG1 VAL 99 2HG1 VAL 99 4.477 11.146 1.322 805 3HG1 VAL 99 3HG1 VAL 99 4.299 9.417 1.611 806 1HG2 VAL 99 1HG2 VAL 99 7.835 11.376 2.929 807 2HG2 VAL 99 2HG2 VAL 99 6.581 12.322 2.125 808 3HG2 VAL 99 3HG2 VAL 99 7.509 11.129 1.213 809 H ALA 100 H ALA 100 4.922 9.829 6.291 810 HA ALA 100 HA ALA 100 3.769 7.286 5.808 811 1HB ALA 100 1HB ALA 100 3.603 8.948 8.322 812 2HB ALA 100 2HB ALA 100 4.914 7.842 7.911 813 3HB ALA 100 3HB ALA 100 3.286 7.218 8.191 814 H GLU 101 H GLU 101 2.483 10.400 5.808 815 HA GLU 101 HA GLU 101 -0.134 9.338 5.249 816 1HB GLU 101 1HB GLU 101 0.261 11.498 7.352 817 2HB GLU 101 2HB GLU 101 -1.267 11.150 6.578 818 1HG GLU 101 1HG GLU 101 -1.246 8.923 7.534 819 2HG GLU 101 2HG GLU 101 0.323 9.250 8.269 820 HA PRO 102 HA PRO 102 -0.065 13.425 3.165 821 1HB PRO 102 1HB PRO 102 1.585 15.454 3.852 822 2HB PRO 102 2HB PRO 102 0.089 15.052 4.709 823 1HG PRO 102 1HG PRO 102 2.845 14.763 5.621 824 2HG PRO 102 2HG PRO 102 1.345 14.637 6.551 825 1HD PRO 102 1HD PRO 102 2.996 12.530 5.369 826 2HD PRO 102 2HD PRO 102 1.741 12.397 6.610 Start of MODEL 14 1 H HIS 1 H HIS 1 4.227 8.627 -11.848 2 HA HIS 1 HA HIS 1 2.055 7.789 -11.903 3 1HB HIS 1 1HB HIS 1 3.278 5.334 -10.620 4 2HB HIS 1 2HB HIS 1 1.556 5.661 -10.692 5 HD1 HIS 1 HD1 HIS 1 4.466 4.738 -12.978 6 HD2 HIS 1 HD2 HIS 1 0.309 4.957 -12.973 7 HE1 HIS 1 HE1 HIS 1 3.702 3.640 -15.088 8 H MET 2 H MET 2 0.671 8.104 -10.069 9 HA MET 2 HA MET 2 1.536 7.978 -7.420 10 1HB MET 2 1HB MET 2 1.456 10.370 -6.864 11 2HB MET 2 2HB MET 2 2.863 9.929 -7.829 12 1HG MET 2 1HG MET 2 1.811 10.862 -9.808 13 2HG MET 2 2HG MET 2 0.357 11.229 -8.881 14 1HE MET 2 1HE MET 2 4.193 12.054 -9.341 15 2HE MET 2 2HE MET 2 4.092 11.708 -7.615 16 3HE MET 2 3HE MET 2 4.418 13.347 -8.168 17 H THR 3 H THR 3 -0.163 7.821 -6.187 18 HA THR 3 HA THR 3 -2.652 8.831 -7.284 19 HB THR 3 HB THR 3 -2.647 6.455 -7.519 20 HG1 THR 3 HG1 THR 3 -4.455 6.007 -5.859 21 1HG2 THR 3 1HG2 THR 3 -2.571 4.913 -5.590 22 2HG2 THR 3 2HG2 THR 3 -2.223 6.285 -4.539 23 3HG2 THR 3 3HG2 THR 3 -1.070 5.819 -5.790 24 H PHE 4 H PHE 4 -3.725 10.123 -6.123 25 HA PHE 4 HA PHE 4 -3.326 10.191 -3.235 26 1HB PHE 4 1HB PHE 4 -3.376 12.618 -5.055 27 2HB PHE 4 2HB PHE 4 -3.373 12.671 -3.292 28 HD1 PHE 4 HD1 PHE 4 -1.422 11.675 -2.064 29 HD2 PHE 4 HD2 PHE 4 -1.399 12.403 -6.245 30 HE1 PHE 4 HE1 PHE 4 1.030 11.498 -2.083 31 HE2 PHE 4 HE2 PHE 4 1.041 12.234 -6.264 32 HZ PHE 4 HZ PHE 4 2.250 11.751 -4.189 33 H CYS 5 H CYS 5 -5.379 9.202 -5.157 34 HA CYS 5 HA CYS 5 -7.645 10.800 -4.266 35 1HB CYS 5 1HB CYS 5 -8.864 9.506 -6.070 36 2HB CYS 5 2HB CYS 5 -7.628 10.622 -6.635 37 HG CYS 5 HG CYS 5 -6.852 7.363 -6.167 38 H LEU 6 H LEU 6 -7.473 9.997 -2.121 39 HA LEU 6 HA LEU 6 -7.559 7.286 -1.431 40 1HB LEU 6 1HB LEU 6 -6.584 9.012 -0.160 41 2HB LEU 6 2HB LEU 6 -8.085 9.889 -0.000 42 HG LEU 6 HG LEU 6 -7.401 7.238 1.301 43 1HD1 LEU 6 1HD1 LEU 6 -7.190 8.623 3.295 44 2HD1 LEU 6 2HD1 LEU 6 -7.406 10.058 2.293 45 3HD1 LEU 6 3HD1 LEU 6 -6.003 9.017 2.057 46 1HD2 LEU 6 1HD2 LEU 6 -9.857 7.600 1.076 47 2HD2 LEU 6 2HD2 LEU 6 -9.677 9.164 1.870 48 3HD2 LEU 6 3HD2 LEU 6 -9.321 7.679 2.754 49 H GLU 7 H GLU 7 -9.970 9.910 -1.357 50 HA GLU 7 HA GLU 7 -11.922 8.047 -0.500 51 1HB GLU 7 1HB GLU 7 -11.938 10.216 0.463 52 2HB GLU 7 2HB GLU 7 -12.070 11.021 -1.069 53 1HG GLU 7 1HG GLU 7 -14.323 9.888 -1.280 54 2HG GLU 7 2HG GLU 7 -14.131 9.405 0.401 55 H THR 8 H THR 8 -10.635 8.381 -3.314 56 HA THR 8 HA THR 8 -12.976 8.140 -4.948 57 HB THR 8 HB THR 8 -10.074 7.687 -5.682 58 HG1 THR 8 HG1 THR 8 -11.281 10.165 -6.141 59 1HG2 THR 8 1HG2 THR 8 -12.459 8.672 -7.288 60 2HG2 THR 8 2HG2 THR 8 -11.774 7.052 -7.389 61 3HG2 THR 8 3HG2 THR 8 -10.823 8.445 -7.907 62 H TYR 9 H TYR 9 -11.320 6.241 -2.790 63 HA TYR 9 HA TYR 9 -11.241 3.708 -4.029 64 1HB TYR 9 1HB TYR 9 -11.174 2.748 -1.719 65 2HB TYR 9 2HB TYR 9 -10.000 4.015 -1.961 66 HD1 TYR 9 HD1 TYR 9 -9.879 3.864 0.606 67 HD2 TYR 9 HD2 TYR 9 -13.341 5.327 -1.378 68 HE1 TYR 9 HE1 TYR 9 -10.611 4.979 2.677 69 HE2 TYR 9 HE2 TYR 9 -14.072 6.430 0.677 70 HH TYR 9 HH TYR 9 -13.760 6.245 3.026 71 H LEU 10 H LEU 10 -13.776 5.619 -3.044 72 HA LEU 10 HA LEU 10 -15.604 3.610 -2.399 73 1HB LEU 10 1HB LEU 10 -15.562 6.079 -1.703 74 2HB LEU 10 2HB LEU 10 -16.273 6.416 -3.261 75 HG LEU 10 HG LEU 10 -17.543 4.646 -1.186 76 1HD1 LEU 10 1HD1 LEU 10 -18.985 6.575 -0.694 77 2HD1 LEU 10 2HD1 LEU 10 -18.015 7.565 -1.784 78 3HD1 LEU 10 3HD1 LEU 10 -17.295 6.901 -0.314 79 1HD2 LEU 10 1HD2 LEU 10 -18.704 5.988 -3.639 80 2HD2 LEU 10 2HD2 LEU 10 -19.617 5.046 -2.460 81 3HD2 LEU 10 3HD2 LEU 10 -18.387 4.263 -3.453 82 H GLN 11 H GLN 11 -14.652 5.468 -5.202 83 HA GLN 11 HA GLN 11 -16.713 4.730 -7.029 84 1HB GLN 11 1HB GLN 11 -14.978 6.666 -7.190 85 2HB GLN 11 2HB GLN 11 -13.869 5.432 -7.700 86 1HG GLN 11 1HG GLN 11 -14.804 6.606 -9.615 87 2HG GLN 11 2HG GLN 11 -15.212 4.890 -9.623 88 1HE2 GLN 11 1HE2 GLN 11 -16.412 8.105 -9.190 89 2HE2 GLN 11 2HE2 GLN 11 -18.081 7.706 -9.290 90 H GLN 12 H GLN 12 -13.730 3.473 -5.946 91 HA GLN 12 HA GLN 12 -13.492 1.405 -7.910 92 1HB GLN 12 1HB GLN 12 -12.012 1.770 -5.297 93 2HB GLN 12 2HB GLN 12 -11.580 0.626 -6.558 94 1HG GLN 12 1HG GLN 12 -11.230 2.577 -8.099 95 2HG GLN 12 2HG GLN 12 -11.520 3.626 -6.728 96 1HE2 GLN 12 1HE2 GLN 12 -9.933 3.886 -5.169 97 2HE2 GLN 12 2HE2 GLN 12 -8.348 3.239 -5.322 98 H SER 13 H SER 13 -15.243 1.821 -5.090 99 HA SER 13 HA SER 13 -16.686 0.637 -4.021 100 1HB SER 13 1HB SER 13 -17.439 -0.183 -6.232 101 2HB SER 13 2HB SER 13 -16.281 -1.506 -6.146 102 HG SER 13 HG SER 13 -17.479 -1.960 -4.075 103 H GLY 14 H GLY 14 -13.930 0.559 -3.362 104 1HA GLY 14 1HA GLY 14 -13.937 -1.692 -1.604 105 2HA GLY 14 2HA GLY 14 -12.701 -1.776 -2.856 106 H GLU 15 H GLU 15 -13.871 -0.016 -0.095 107 HA GLU 15 HA GLU 15 -11.914 1.920 -0.031 108 1HB GLU 15 1HB GLU 15 -13.469 0.618 2.202 109 2HB GLU 15 2HB GLU 15 -12.414 2.005 2.453 110 1HG GLU 15 1HG GLU 15 -13.736 3.357 0.997 111 2HG GLU 15 2HG GLU 15 -14.721 1.977 0.525 112 H TYR 16 H TYR 16 -9.822 1.931 0.648 113 HA TYR 16 HA TYR 16 -8.706 -0.490 1.854 114 1HB TYR 16 1HB TYR 16 -8.526 -0.559 -0.648 115 2HB TYR 16 2HB TYR 16 -7.609 0.925 -0.582 116 HD1 TYR 16 HD1 TYR 16 -5.320 0.705 -0.811 117 HD2 TYR 16 HD2 TYR 16 -7.497 -2.493 0.959 118 HE1 TYR 16 HE1 TYR 16 -3.256 -0.620 -0.684 119 HE2 TYR 16 HE2 TYR 16 -5.438 -3.824 1.095 120 HH TYR 16 HH TYR 16 -3.290 -3.962 0.042 121 H GLU 17 H GLU 17 -9.326 2.513 2.446 122 HA GLU 17 HA GLU 17 -6.787 3.188 3.653 123 1HB GLU 17 1HB GLU 17 -8.252 5.043 1.759 124 2HB GLU 17 2HB GLU 17 -6.853 5.463 2.724 125 1HG GLU 17 1HG GLU 17 -5.479 3.930 1.434 126 2HG GLU 17 2HG GLU 17 -6.891 3.430 0.502 127 H ILE 18 H ILE 18 -7.255 5.380 4.861 128 HA ILE 18 HA ILE 18 -9.970 5.267 5.720 129 HB ILE 18 HB ILE 18 -8.484 4.465 7.594 130 1HG1 ILE 18 1HG1 ILE 18 -9.361 5.960 9.414 131 2HG1 ILE 18 2HG1 ILE 18 -10.003 7.007 8.154 132 1HG2 ILE 18 1HG2 ILE 18 -7.345 7.221 7.453 133 2HG2 ILE 18 2HG2 ILE 18 -6.502 5.641 7.397 134 3HG2 ILE 18 3HG2 ILE 18 -7.241 6.209 8.882 135 1HD1 ILE 18 1HD1 ILE 18 -11.728 5.548 9.023 136 2HD1 ILE 18 2HD1 ILE 18 -10.751 4.132 8.642 137 3HD1 ILE 18 3HD1 ILE 18 -11.385 5.135 7.342 138 H HIS 19 H HIS 19 -10.777 7.559 6.372 139 HA HIS 19 HA HIS 19 -9.901 9.404 4.378 140 1HB HIS 19 1HB HIS 19 -12.292 9.280 5.034 141 2HB HIS 19 2HB HIS 19 -11.884 9.933 6.616 142 HD1 HIS 19 HD1 HIS 19 -12.632 12.333 6.697 143 HD2 HIS 19 HD2 HIS 19 -11.109 11.294 2.974 144 HE1 HIS 19 HE1 HIS 19 -12.692 14.431 5.306 145 H MET 20 H MET 20 -7.916 9.379 5.054 146 HA MET 20 HA MET 20 -7.043 11.629 6.780 147 1HB MET 20 1HB MET 20 -6.205 8.809 6.564 148 2HB MET 20 2HB MET 20 -4.887 9.931 6.844 149 1HG MET 20 1HG MET 20 -7.360 9.690 8.558 150 2HG MET 20 2HG MET 20 -5.867 8.806 8.865 151 1HE MET 20 1HE MET 20 -3.562 10.812 8.245 152 2HE MET 20 2HE MET 20 -3.650 9.856 9.724 153 3HE MET 20 3HE MET 20 -3.344 11.589 9.813 154 H LYS 21 H LYS 21 -4.188 11.017 5.682 155 HA LYS 21 HA LYS 21 -4.700 11.840 2.917 156 1HB LYS 21 1HB LYS 21 -2.517 12.830 4.761 157 2HB LYS 21 2HB LYS 21 -2.563 13.154 3.032 158 1HG LYS 21 1HG LYS 21 -4.778 14.251 3.366 159 2HG LYS 21 2HG LYS 21 -4.554 14.056 5.102 160 1HD LYS 21 1HD LYS 21 -2.634 15.519 3.305 161 2HD LYS 21 2HD LYS 21 -3.938 16.302 4.196 162 1HE LYS 21 1HE LYS 21 -2.930 15.601 6.297 163 2HE LYS 21 2HE LYS 21 -1.687 14.717 5.408 164 1HZ LYS 21 1HZ LYS 21 -0.927 16.923 6.183 165 2HZ LYS 21 2HZ LYS 21 -2.072 17.656 5.171 166 3HZ LYS 21 3HZ LYS 21 -0.841 16.695 4.527 167 H ARG 22 H ARG 22 -3.766 10.714 1.345 168 HA ARG 22 HA ARG 22 -2.080 8.475 2.139 169 1HB ARG 22 1HB ARG 22 -2.901 7.401 0.242 170 2HB ARG 22 2HB ARG 22 -4.272 8.095 1.074 171 1HG ARG 22 1HG ARG 22 -2.981 9.117 -1.473 172 2HG ARG 22 2HG ARG 22 -4.507 8.261 -1.363 173 1HD ARG 22 1HD ARG 22 -5.148 10.526 -1.644 174 2HD ARG 22 2HD ARG 22 -5.268 10.280 0.094 175 HE ARG 22 HE ARG 22 -2.717 11.248 -0.423 176 1HH1 ARG 22 1HH1 ARG 22 -6.058 12.474 -0.815 177 2HH1 ARG 22 2HH1 ARG 22 -5.607 14.061 -0.368 178 1HH2 ARG 22 1HH2 ARG 22 -2.186 13.472 0.166 179 2HH2 ARG 22 2HH2 ARG 22 -3.428 14.622 0.167 180 H ALA 23 H ALA 23 -0.669 7.711 0.248 181 HA ALA 23 HA ALA 23 0.225 9.644 -1.600 182 1HB ALA 23 1HB ALA 23 2.540 9.812 -0.862 183 2HB ALA 23 2HB ALA 23 2.174 8.789 0.526 184 3HB ALA 23 3HB ALA 23 1.431 10.382 0.390 185 H GLY 24 H GLY 24 -0.481 7.723 -2.885 186 1HA GLY 24 1HA GLY 24 1.192 5.380 -2.786 187 2HA GLY 24 2HA GLY 24 -0.226 5.651 -3.773 188 H PHE 25 H PHE 25 3.162 6.642 -3.455 189 HA PHE 25 HA PHE 25 3.168 7.789 -6.109 190 1HB PHE 25 1HB PHE 25 5.371 7.230 -4.125 191 2HB PHE 25 2HB PHE 25 5.708 7.790 -5.753 192 HD1 PHE 25 HD1 PHE 25 5.338 10.047 -6.380 193 HD2 PHE 25 HD2 PHE 25 4.243 8.694 -2.503 194 HE1 PHE 25 HE1 PHE 25 5.113 12.377 -5.641 195 HE2 PHE 25 HE2 PHE 25 4.011 11.035 -1.760 196 HZ PHE 25 HZ PHE 25 4.450 12.872 -3.325 197 H ARG 26 H ARG 26 5.074 5.208 -4.720 198 HA ARG 26 HA ARG 26 5.727 4.103 -7.294 199 1HB ARG 26 1HB ARG 26 6.135 3.159 -4.493 200 2HB ARG 26 2HB ARG 26 6.669 2.262 -5.891 201 1HG ARG 26 1HG ARG 26 7.580 5.052 -5.276 202 2HG ARG 26 2HG ARG 26 8.403 3.602 -4.698 203 1HD ARG 26 1HD ARG 26 8.448 2.883 -7.134 204 2HD ARG 26 2HD ARG 26 8.046 4.563 -7.515 205 HE ARG 26 HE ARG 26 10.198 4.439 -5.708 206 1HH1 ARG 26 1HH1 ARG 26 9.552 4.168 -9.201 207 2HH1 ARG 26 2HH1 ARG 26 11.200 4.217 -9.616 208 1HH2 ARG 26 1HH2 ARG 26 12.424 4.517 -6.343 209 2HH2 ARG 26 2HH2 ARG 26 12.853 4.461 -7.986 210 H GLU 27 H GLU 27 3.644 3.169 -4.595 211 HA GLU 27 HA GLU 27 2.892 0.767 -5.921 212 1HB GLU 27 1HB GLU 27 2.306 1.986 -3.375 213 2HB GLU 27 2HB GLU 27 1.103 0.820 -3.962 214 1HG GLU 27 1HG GLU 27 2.876 -0.816 -4.026 215 2HG GLU 27 2HG GLU 27 4.027 0.414 -3.487 216 H CYS 28 H CYS 28 1.991 3.852 -6.530 217 HA CYS 28 HA CYS 28 -0.722 3.879 -6.916 218 1HB CYS 28 1HB CYS 28 0.731 5.736 -7.576 219 2HB CYS 28 2HB CYS 28 1.414 4.759 -8.867 220 HG CYS 28 HG CYS 28 -1.934 5.213 -9.032 221 H ALA 29 H ALA 29 1.729 2.328 -8.961 222 HA ALA 29 HA ALA 29 -0.214 1.211 -10.755 223 1HB ALA 29 1HB ALA 29 2.718 0.591 -10.439 224 2HB ALA 29 2HB ALA 29 2.039 1.800 -11.526 225 3HB ALA 29 3HB ALA 29 1.699 0.088 -11.787 226 H ALA 30 H ALA 30 1.559 0.124 -7.939 227 HA ALA 30 HA ALA 30 1.021 -2.592 -8.011 228 1HB ALA 30 1HB ALA 30 1.458 -2.585 -5.641 229 2HB ALA 30 2HB ALA 30 1.270 -0.833 -5.598 230 3HB ALA 30 3HB ALA 30 2.614 -1.554 -6.485 231 H MET 31 H MET 31 -0.776 0.047 -6.453 232 HA MET 31 HA MET 31 -2.696 -1.660 -5.321 233 1HB MET 31 1HB MET 31 -4.244 0.270 -5.035 234 2HB MET 31 2HB MET 31 -2.627 0.588 -4.438 235 1HG MET 31 1HG MET 31 -2.168 2.097 -6.127 236 2HG MET 31 2HG MET 31 -3.415 1.441 -7.183 237 1HE MET 31 1HE MET 31 -4.038 2.189 -3.355 238 2HE MET 31 2HE MET 31 -4.499 3.890 -3.391 239 3HE MET 31 3HE MET 31 -2.843 3.419 -3.768 240 H ILE 32 H ILE 32 -2.504 -0.233 -8.443 241 HA ILE 32 HA ILE 32 -5.080 -0.842 -9.346 242 HB ILE 32 HB ILE 32 -2.459 -0.549 -10.853 243 1HG1 ILE 32 1HG1 ILE 32 -4.755 1.380 -10.455 244 2HG1 ILE 32 2HG1 ILE 32 -3.213 1.438 -9.613 245 1HG2 ILE 32 1HG2 ILE 32 -3.816 -0.209 -12.875 246 2HG2 ILE 32 2HG2 ILE 32 -5.266 -0.631 -11.961 247 3HG2 ILE 32 3HG2 ILE 32 -4.000 -1.834 -12.217 248 1HD1 ILE 32 1HD1 ILE 32 -3.636 1.791 -12.565 249 2HD1 ILE 32 2HD1 ILE 32 -2.079 1.856 -11.740 250 3HD1 ILE 32 3HD1 ILE 32 -3.311 3.074 -11.402 251 H GLU 33 H GLU 33 -2.157 -2.754 -9.069 252 HA GLU 33 HA GLU 33 -3.454 -4.970 -10.422 253 1HB GLU 33 1HB GLU 33 -0.787 -4.951 -8.978 254 2HB GLU 33 2HB GLU 33 -1.372 -6.153 -10.120 255 1HG GLU 33 1HG GLU 33 -1.271 -4.498 -11.914 256 2HG GLU 33 2HG GLU 33 -0.677 -3.299 -10.767 257 H LYS 34 H LYS 34 -2.751 -3.927 -7.220 258 HA LYS 34 HA LYS 34 -3.283 -6.263 -5.797 259 1HB LYS 34 1HB LYS 34 -3.424 -3.355 -5.106 260 2HB LYS 34 2HB LYS 34 -3.993 -4.543 -3.948 261 1HG LYS 34 1HG LYS 34 -1.922 -5.202 -3.381 262 2HG LYS 34 2HG LYS 34 -1.351 -5.184 -5.040 263 1HD LYS 34 1HD LYS 34 -0.096 -3.668 -3.623 264 2HD LYS 34 2HD LYS 34 -0.927 -2.803 -4.904 265 1HE LYS 34 1HE LYS 34 -2.671 -2.096 -3.217 266 2HE LYS 34 2HE LYS 34 -1.767 -2.931 -1.965 267 1HZ LYS 34 1HZ LYS 34 0.121 -1.313 -2.327 268 2HZ LYS 34 2HZ LYS 34 -1.256 -0.503 -1.929 269 3HZ LYS 34 3HZ LYS 34 -0.778 -0.515 -3.484 270 H LYS 35 H LYS 35 -5.435 -4.315 -7.581 271 HA LYS 35 HA LYS 35 -7.760 -5.094 -6.064 272 1HB LYS 35 1HB LYS 35 -9.077 -4.303 -7.947 273 2HB LYS 35 2HB LYS 35 -7.965 -3.039 -7.381 274 1HG LYS 35 1HG LYS 35 -6.575 -3.584 -9.324 275 2HG LYS 35 2HG LYS 35 -7.728 -4.832 -9.788 276 1HD LYS 35 1HD LYS 35 -8.414 -1.906 -9.519 277 2HD LYS 35 2HD LYS 35 -7.980 -2.681 -11.042 278 1HE LYS 35 1HE LYS 35 -9.875 -4.206 -10.792 279 2HE LYS 35 2HE LYS 35 -10.320 -3.415 -9.282 280 1HZ LYS 35 1HZ LYS 35 -10.654 -1.367 -10.527 281 2HZ LYS 35 2HZ LYS 35 -11.643 -2.591 -11.107 282 3HZ LYS 35 3HZ LYS 35 -10.271 -2.146 -11.966 283 H ALA 36 H ALA 36 -5.812 -6.683 -8.332 284 HA ALA 36 HA ALA 36 -7.830 -8.247 -9.579 285 1HB ALA 36 1HB ALA 36 -5.630 -7.845 -10.608 286 2HB ALA 36 2HB ALA 36 -6.045 -9.551 -10.512 287 3HB ALA 36 3HB ALA 36 -4.887 -8.861 -9.370 288 H ARG 37 H ARG 37 -5.742 -8.727 -6.803 289 HA ARG 37 HA ARG 37 -7.454 -10.342 -5.346 290 1HB ARG 37 1HB ARG 37 -6.944 -12.098 -7.074 291 2HB ARG 37 2HB ARG 37 -5.239 -11.934 -6.686 292 1HG ARG 37 1HG ARG 37 -5.790 -12.638 -4.341 293 2HG ARG 37 2HG ARG 37 -7.424 -12.993 -4.901 294 1HD ARG 37 1HD ARG 37 -4.883 -14.218 -5.959 295 2HD ARG 37 2HD ARG 37 -6.017 -15.001 -4.862 296 HE ARG 37 HE ARG 37 -7.597 -14.415 -6.917 297 1HH1 ARG 37 1HH1 ARG 37 -4.394 -15.942 -6.922 298 2HH1 ARG 37 2HH1 ARG 37 -4.698 -16.847 -8.332 299 1HH2 ARG 37 1HH2 ARG 37 -7.983 -15.665 -8.797 300 2HH2 ARG 37 2HH2 ARG 37 -6.763 -16.696 -9.420 301 H ARG 38 H ARG 38 -4.062 -10.734 -6.092 302 HA ARG 38 HA ARG 38 -3.187 -9.279 -3.799 303 1HB ARG 38 1HB ARG 38 -3.704 -11.585 -2.940 304 2HB ARG 38 2HB ARG 38 -2.629 -12.247 -4.156 305 1HG ARG 38 1HG ARG 38 -0.772 -10.980 -3.123 306 2HG ARG 38 2HG ARG 38 -1.840 -10.532 -1.797 307 1HD ARG 38 1HD ARG 38 -0.599 -12.447 -1.097 308 2HD ARG 38 2HD ARG 38 -2.236 -13.007 -1.455 309 HE ARG 38 HE ARG 38 -0.867 -13.300 -3.789 310 1HH1 ARG 38 1HH1 ARG 38 -0.460 -14.656 -0.522 311 2HH1 ARG 38 2HH1 ARG 38 0.375 -16.023 -1.086 312 1HH2 ARG 38 1HH2 ARG 38 0.270 -15.131 -4.501 313 2HH2 ARG 38 2HH2 ARG 38 0.839 -16.300 -3.401 314 H VAL 39 H VAL 39 -1.404 -8.173 -4.903 315 HA VAL 39 HA VAL 39 0.056 -9.840 -6.808 316 HB VAL 39 HB VAL 39 -0.927 -7.027 -7.381 317 1HG1 VAL 39 1HG1 VAL 39 1.348 -7.340 -8.294 318 2HG1 VAL 39 2HG1 VAL 39 0.177 -7.293 -9.612 319 3HG1 VAL 39 3HG1 VAL 39 0.839 -8.833 -9.073 320 1HG2 VAL 39 1HG2 VAL 39 -1.523 -9.656 -8.742 321 2HG2 VAL 39 2HG2 VAL 39 -2.110 -8.078 -9.266 322 3HG2 VAL 39 3HG2 VAL 39 -2.622 -8.740 -7.714 323 H VAL 40 H VAL 40 2.205 -9.407 -7.079 324 HA VAL 40 HA VAL 40 3.417 -7.784 -5.016 325 HB VAL 40 HB VAL 40 4.273 -10.109 -5.182 326 1HG1 VAL 40 1HG1 VAL 40 3.825 -10.552 -7.535 327 2HG1 VAL 40 2HG1 VAL 40 5.508 -10.895 -7.142 328 3HG1 VAL 40 3HG1 VAL 40 5.088 -9.414 -7.999 329 1HG2 VAL 40 1HG2 VAL 40 6.314 -8.104 -6.148 330 2HG2 VAL 40 2HG2 VAL 40 6.680 -9.657 -5.394 331 3HG2 VAL 40 3HG2 VAL 40 5.860 -8.398 -4.470 332 H HIS 41 H HIS 41 4.727 -6.039 -5.435 333 HA HIS 41 HA HIS 41 5.049 -5.391 -8.188 334 1HB HIS 41 1HB HIS 41 2.932 -4.321 -7.329 335 2HB HIS 41 2HB HIS 41 3.908 -3.469 -6.144 336 HD1 HIS 41 HD1 HIS 41 2.856 -3.354 -9.767 337 HD2 HIS 41 HD2 HIS 41 5.402 -1.310 -7.162 338 HE1 HIS 41 HE1 HIS 41 3.658 -1.349 -10.989 339 H ILE 42 H ILE 42 7.036 -4.705 -8.424 340 HA ILE 42 HA ILE 42 8.740 -4.573 -6.108 341 HB ILE 42 HB ILE 42 9.348 -4.469 -9.056 342 1HG1 ILE 42 1HG1 ILE 42 9.494 -6.814 -7.147 343 2HG1 ILE 42 2HG1 ILE 42 8.233 -6.553 -8.343 344 1HG2 ILE 42 1HG2 ILE 42 11.662 -5.115 -8.334 345 2HG2 ILE 42 2HG2 ILE 42 11.146 -4.992 -6.653 346 3HG2 ILE 42 3HG2 ILE 42 11.183 -3.551 -7.669 347 1HD1 ILE 42 1HD1 ILE 42 9.862 -8.200 -9.082 348 2HD1 ILE 42 2HD1 ILE 42 11.145 -6.997 -8.921 349 3HD1 ILE 42 3HD1 ILE 42 9.876 -6.778 -10.126 350 H LYS 43 H LYS 43 9.838 -2.783 -5.479 351 HA LYS 43 HA LYS 43 10.302 -0.671 -5.080 352 1HB LYS 43 1HB LYS 43 9.551 -0.103 -7.970 353 2HB LYS 43 2HB LYS 43 10.153 1.123 -6.876 354 1HG LYS 43 1HG LYS 43 12.256 -0.255 -6.680 355 2HG LYS 43 2HG LYS 43 11.624 -1.256 -7.992 356 1HD LYS 43 1HD LYS 43 11.476 0.734 -9.428 357 2HD LYS 43 2HD LYS 43 12.097 1.725 -8.117 358 1HE LYS 43 1HE LYS 43 13.892 1.269 -9.651 359 2HE LYS 43 2HE LYS 43 14.193 0.388 -8.159 360 1HZ LYS 43 1HZ LYS 43 13.039 -0.777 -10.636 361 2HZ LYS 43 2HZ LYS 43 13.430 -1.649 -9.258 362 3HZ LYS 43 3HZ LYS 43 14.637 -0.924 -10.162 363 HA PRO 44 HA PRO 44 5.862 0.321 -4.444 364 1HB PRO 44 1HB PRO 44 5.477 -0.587 -1.991 365 2HB PRO 44 2HB PRO 44 5.541 -1.703 -3.369 366 1HG PRO 44 1HG PRO 44 7.718 -0.989 -1.431 367 2HG PRO 44 2HG PRO 44 7.195 -2.607 -1.922 368 1HD PRO 44 1HD PRO 44 9.309 -1.372 -3.049 369 2HD PRO 44 2HD PRO 44 8.245 -2.490 -3.921 370 H GLY 45 H GLY 45 4.915 1.918 -2.934 371 1HA GLY 45 1HA GLY 45 6.287 3.211 -0.918 372 2HA GLY 45 2HA GLY 45 6.659 4.040 -2.427 373 H GLU 46 H GLU 46 3.864 2.581 -0.886 374 HA GLU 46 HA GLU 46 2.335 4.999 -1.413 375 1HB GLU 46 1HB GLU 46 1.377 3.384 -2.706 376 2HB GLU 46 2HB GLU 46 1.688 2.092 -1.568 377 1HG GLU 46 1HG GLU 46 -0.194 3.150 -0.238 378 2HG GLU 46 2HG GLU 46 -0.541 4.080 -1.713 379 H LYS 47 H LYS 47 2.508 6.049 0.330 380 HA LYS 47 HA LYS 47 2.205 4.695 2.863 381 1HB LYS 47 1HB LYS 47 3.525 7.160 2.005 382 2HB LYS 47 2HB LYS 47 2.572 7.329 3.477 383 1HG LYS 47 1HG LYS 47 4.625 5.174 3.072 384 2HG LYS 47 2HG LYS 47 4.989 6.731 3.818 385 1HD LYS 47 1HD LYS 47 3.503 6.340 5.590 386 2HD LYS 47 2HD LYS 47 2.778 4.936 4.837 387 1HE LYS 47 1HE LYS 47 5.044 3.817 4.999 388 2HE LYS 47 2HE LYS 47 5.600 5.218 5.912 389 1HZ LYS 47 1HZ LYS 47 3.414 3.368 6.729 390 2HZ LYS 47 2HZ LYS 47 3.914 4.707 7.598 391 3HZ LYS 47 3HZ LYS 47 4.956 3.410 7.380 392 H ILE 48 H ILE 48 0.120 4.258 2.876 393 HA ILE 48 HA ILE 48 -1.583 6.522 2.483 394 HB ILE 48 HB ILE 48 -3.509 5.009 2.687 395 1HG1 ILE 48 1HG1 ILE 48 -1.504 2.743 2.561 396 2HG1 ILE 48 2HG1 ILE 48 -2.449 3.180 3.985 397 1HG2 ILE 48 1HG2 ILE 48 -3.146 3.845 0.484 398 2HG2 ILE 48 2HG2 ILE 48 -1.488 4.470 0.533 399 3HG2 ILE 48 3HG2 ILE 48 -2.857 5.574 0.510 400 1HD1 ILE 48 1HD1 ILE 48 -3.599 2.314 1.346 401 2HD1 ILE 48 2HD1 ILE 48 -4.502 2.645 2.825 402 3HD1 ILE 48 3HD1 ILE 48 -3.420 1.265 2.742 403 H LEU 49 H LEU 49 -1.828 7.762 4.002 404 HA LEU 49 HA LEU 49 -2.518 8.695 5.897 405 1HB LEU 49 1HB LEU 49 -3.292 6.046 7.084 406 2HB LEU 49 2HB LEU 49 -3.971 7.621 7.400 407 HG LEU 49 HG LEU 49 -5.686 6.840 6.209 408 1HD1 LEU 49 1HD1 LEU 49 -5.736 7.253 3.857 409 2HD1 LEU 49 2HD1 LEU 49 -3.993 7.522 3.888 410 3HD1 LEU 49 3HD1 LEU 49 -5.063 8.581 4.804 411 1HD2 LEU 49 1HD2 LEU 49 -4.984 4.553 6.130 412 2HD2 LEU 49 2HD2 LEU 49 -3.860 4.899 4.828 413 3HD2 LEU 49 3HD2 LEU 49 -5.591 4.992 4.528 414 H GLY 50 H GLY 50 -0.038 6.671 5.715 415 1HA GLY 50 1HA GLY 50 1.941 6.717 6.966 416 2HA GLY 50 2HA GLY 50 1.064 7.498 8.283 417 H ALA 51 H ALA 51 -1.094 5.621 8.180 418 HA ALA 51 HA ALA 51 0.123 3.198 9.252 419 1HB ALA 51 1HB ALA 51 -2.284 4.723 10.294 420 2HB ALA 51 2HB ALA 51 -0.723 4.591 11.096 421 3HB ALA 51 3HB ALA 51 -1.732 3.158 10.892 422 H ARG 52 H ARG 52 -0.569 1.539 8.143 423 HA ARG 52 HA ARG 52 -2.295 1.773 5.929 424 1HB ARG 52 1HB ARG 52 -0.406 0.156 6.164 425 2HB ARG 52 2HB ARG 52 -1.324 -0.702 7.383 426 1HG ARG 52 1HG ARG 52 -1.490 -1.925 5.381 427 2HG ARG 52 2HG ARG 52 -3.058 -1.145 5.622 428 1HD ARG 52 1HD ARG 52 -2.510 -0.896 3.315 429 2HD ARG 52 2HD ARG 52 -2.252 0.662 4.108 430 HE ARG 52 HE ARG 52 0.204 -0.511 4.161 431 1HH1 ARG 52 1HH1 ARG 52 -2.059 0.313 1.572 432 2HH1 ARG 52 2HH1 ARG 52 -0.903 0.542 0.373 433 1HH2 ARG 52 1HH2 ARG 52 1.855 -0.261 2.512 434 2HH2 ARG 52 2HH2 ARG 52 1.417 0.150 0.912 435 H ILE 53 H ILE 53 -4.532 2.397 6.466 436 HA ILE 53 HA ILE 53 -5.911 0.439 8.114 437 HB ILE 53 HB ILE 53 -6.602 3.404 7.748 438 1HG1 ILE 53 1HG1 ILE 53 -5.524 1.943 10.186 439 2HG1 ILE 53 2HG1 ILE 53 -4.605 3.055 9.187 440 1HG2 ILE 53 1HG2 ILE 53 -8.329 2.993 9.441 441 2HG2 ILE 53 2HG2 ILE 53 -7.877 1.292 9.498 442 3HG2 ILE 53 3HG2 ILE 53 -8.572 1.968 8.025 443 1HD1 ILE 53 1HD1 ILE 53 -5.343 4.073 11.270 444 2HD1 ILE 53 2HD1 ILE 53 -7.026 3.770 10.833 445 3HD1 ILE 53 3HD1 ILE 53 -6.045 4.880 9.872 446 H ILE 54 H ILE 54 -7.554 -0.510 7.065 447 HA ILE 54 HA ILE 54 -7.901 0.191 4.253 448 HB ILE 54 HB ILE 54 -8.554 -2.309 5.842 449 1HG1 ILE 54 1HG1 ILE 54 -6.394 -1.696 3.819 450 2HG1 ILE 54 2HG1 ILE 54 -6.176 -1.929 5.546 451 1HG2 ILE 54 1HG2 ILE 54 -10.132 -1.948 3.914 452 2HG2 ILE 54 2HG2 ILE 54 -9.178 -3.418 3.853 453 3HG2 ILE 54 3HG2 ILE 54 -8.727 -2.067 2.834 454 1HD1 ILE 54 1HD1 ILE 54 -6.925 -4.269 5.264 455 2HD1 ILE 54 2HD1 ILE 54 -5.460 -3.869 4.370 456 3HD1 ILE 54 3HD1 ILE 54 -7.002 -3.973 3.520 457 H GLY 55 H GLY 55 -9.535 -0.157 7.280 458 1HA GLY 55 1HA GLY 55 -11.469 1.115 7.847 459 2HA GLY 55 2HA GLY 55 -11.927 1.109 6.143 460 H ILE 56 H ILE 56 -11.181 -1.621 5.871 461 HA ILE 56 HA ILE 56 -13.423 -2.926 7.212 462 HB ILE 56 HB ILE 56 -12.181 -3.417 4.510 463 1HG1 ILE 56 1HG1 ILE 56 -14.646 -3.269 3.727 464 2HG1 ILE 56 2HG1 ILE 56 -14.985 -2.618 5.316 465 1HG2 ILE 56 1HG2 ILE 56 -14.184 -5.175 5.935 466 2HG2 ILE 56 2HG2 ILE 56 -12.533 -5.596 5.477 467 3HG2 ILE 56 3HG2 ILE 56 -13.759 -5.338 4.233 468 1HD1 ILE 56 1HD1 ILE 56 -13.139 -1.415 3.265 469 2HD1 ILE 56 2HD1 ILE 56 -13.476 -0.747 4.863 470 3HD1 ILE 56 3HD1 ILE 56 -14.766 -0.860 3.664 471 HA PRO 57 HA PRO 57 -9.935 -4.961 9.102 472 1HB PRO 57 1HB PRO 57 -11.361 -6.583 10.753 473 2HB PRO 57 2HB PRO 57 -11.063 -4.877 11.086 474 1HG PRO 57 1HG PRO 57 -13.495 -6.200 9.983 475 2HG PRO 57 2HG PRO 57 -13.371 -4.849 11.124 476 1HD PRO 57 1HD PRO 57 -13.941 -4.556 8.478 477 2HD PRO 57 2HD PRO 57 -13.142 -3.304 9.453 478 HA PRO 58 HA PRO 58 -10.171 -8.858 6.701 479 1HB PRO 58 1HB PRO 58 -7.395 -8.668 6.237 480 2HB PRO 58 2HB PRO 58 -8.662 -8.215 5.101 481 1HG PRO 58 1HG PRO 58 -6.841 -6.456 6.258 482 2HG PRO 58 2HG PRO 58 -8.382 -5.993 5.521 483 1HD PRO 58 1HD PRO 58 -7.706 -6.392 8.404 484 2HD PRO 58 2HD PRO 58 -8.742 -5.169 7.619 485 H VAL 59 H VAL 59 -8.312 -10.687 6.847 486 HA VAL 59 HA VAL 59 -8.106 -11.132 9.626 487 HB VAL 59 HB VAL 59 -7.112 -12.828 7.313 488 1HG1 VAL 59 1HG1 VAL 59 -6.873 -14.667 8.901 489 2HG1 VAL 59 2HG1 VAL 59 -7.375 -13.601 10.216 490 3HG1 VAL 59 3HG1 VAL 59 -5.860 -13.301 9.377 491 1HG2 VAL 59 1HG2 VAL 59 -9.569 -13.113 9.031 492 2HG2 VAL 59 2HG2 VAL 59 -9.053 -14.256 7.792 493 3HG2 VAL 59 3HG2 VAL 59 -9.528 -12.618 7.339 494 HA PRO 60 HA PRO 60 -4.088 -9.218 9.454 495 1HB PRO 60 1HB PRO 60 -3.388 -9.924 12.127 496 2HB PRO 60 2HB PRO 60 -4.057 -8.399 11.553 497 1HG PRO 60 1HG PRO 60 -5.379 -10.223 13.191 498 2HG PRO 60 2HG PRO 60 -6.155 -8.940 12.250 499 1HD PRO 60 1HD PRO 60 -5.909 -11.852 11.662 500 2HD PRO 60 2HD PRO 60 -7.232 -10.721 11.304 501 H ILE 61 H ILE 61 -3.518 -11.218 7.971 502 HA ILE 61 HA ILE 61 -1.522 -12.753 9.381 503 HB ILE 61 HB ILE 61 -2.641 -13.248 6.597 504 1HG1 ILE 61 1HG1 ILE 61 -4.199 -13.917 8.333 505 2HG1 ILE 61 2HG1 ILE 61 -3.510 -15.347 7.587 506 1HG2 ILE 61 1HG2 ILE 61 -1.299 -15.310 6.564 507 2HG2 ILE 61 2HG2 ILE 61 -0.553 -14.840 8.092 508 3HG2 ILE 61 3HG2 ILE 61 -0.286 -13.867 6.646 509 1HD1 ILE 61 1HD1 ILE 61 -2.751 -14.190 10.266 510 2HD1 ILE 61 2HD1 ILE 61 -1.992 -15.590 9.510 511 3HD1 ILE 61 3HD1 ILE 61 -3.693 -15.653 9.973 512 H GLY 62 H GLY 62 0.084 -11.417 9.643 513 1HA GLY 62 1HA GLY 62 0.914 -9.830 7.385 514 2HA GLY 62 2HA GLY 62 1.475 -9.647 9.043 515 H ILE 63 H ILE 63 2.076 -11.002 6.005 516 HA ILE 63 HA ILE 63 4.240 -12.630 7.098 517 HB ILE 63 HB ILE 63 3.301 -12.507 4.204 518 1HG1 ILE 63 1HG1 ILE 63 2.594 -14.564 6.310 519 2HG1 ILE 63 2HG1 ILE 63 1.507 -13.320 5.705 520 1HG2 ILE 63 1HG2 ILE 63 5.591 -13.327 4.498 521 2HG2 ILE 63 2HG2 ILE 63 4.527 -14.633 3.974 522 3HG2 ILE 63 3HG2 ILE 63 5.021 -14.523 5.663 523 1HD1 ILE 63 1HD1 ILE 63 1.602 -14.321 3.479 524 2HD1 ILE 63 2HD1 ILE 63 1.046 -15.482 4.685 525 3HD1 ILE 63 3HD1 ILE 63 2.703 -15.558 4.084 526 H ASP 64 H ASP 64 5.363 -10.646 7.644 527 HA ASP 64 HA ASP 64 6.436 -9.315 5.285 528 1HB ASP 64 1HB ASP 64 6.879 -7.326 6.663 529 2HB ASP 64 2HB ASP 64 5.175 -7.736 6.677 530 H GLU 65 H GLU 65 8.359 -9.767 4.799 531 HA GLU 65 HA GLU 65 10.092 -11.116 6.702 532 1HB GLU 65 1HB GLU 65 10.354 -10.513 3.759 533 2HB GLU 65 2HB GLU 65 11.568 -11.366 4.697 534 1HG GLU 65 1HG GLU 65 8.726 -12.287 4.361 535 2HG GLU 65 2HG GLU 65 10.082 -12.845 3.381 536 H GLU 66 H GLU 66 10.313 -8.416 4.467 537 HA GLU 66 HA GLU 66 11.732 -6.718 6.223 538 1HB GLU 66 1HB GLU 66 13.589 -8.190 5.550 539 2HB GLU 66 2HB GLU 66 13.111 -8.050 3.860 540 1HG GLU 66 1HG GLU 66 15.175 -6.842 4.510 541 2HG GLU 66 2HG GLU 66 13.960 -5.830 3.748 542 H ARG 67 H ARG 67 12.163 -4.729 4.858 543 HA ARG 67 HA ARG 67 9.771 -4.266 3.229 544 1HB ARG 67 1HB ARG 67 11.102 -2.661 4.944 545 2HB ARG 67 2HB ARG 67 11.876 -2.180 3.444 546 1HG ARG 67 1HG ARG 67 8.912 -2.157 3.917 547 2HG ARG 67 2HG ARG 67 9.976 -0.763 4.119 548 1HD ARG 67 1HD ARG 67 10.502 -0.826 1.733 549 2HD ARG 67 2HD ARG 67 9.516 -2.276 1.538 550 HE ARG 67 HE ARG 67 7.768 -0.561 2.601 551 1HH1 ARG 67 1HH1 ARG 67 9.960 -0.061 -0.109 552 2HH1 ARG 67 2HH1 ARG 67 8.897 0.983 -0.960 553 1HH2 ARG 67 1HH2 ARG 67 6.337 0.857 1.482 554 2HH2 ARG 67 2HH2 ARG 67 6.775 1.509 -0.010 555 H SER 68 H SER 68 13.072 -4.763 2.913 556 HA SER 68 HA SER 68 13.029 -4.283 0.061 557 1HB SER 68 1HB SER 68 14.950 -3.452 1.461 558 2HB SER 68 2HB SER 68 15.363 -5.128 1.817 559 HG SER 68 HG SER 68 15.069 -4.291 -0.820 560 H THR 69 H THR 69 11.511 -6.307 1.205 561 HA THR 69 HA THR 69 12.224 -8.540 -0.425 562 HB THR 69 HB THR 69 11.707 -8.929 2.551 563 HG1 THR 69 HG1 THR 69 13.964 -8.300 1.233 564 1HG2 THR 69 1HG2 THR 69 11.032 -10.825 1.145 565 2HG2 THR 69 2HG2 THR 69 12.444 -11.255 2.114 566 3HG2 THR 69 3HG2 THR 69 12.632 -10.850 0.407 567 H VAL 70 H VAL 70 10.231 -9.929 -0.499 568 HA VAL 70 HA VAL 70 7.923 -8.365 -0.715 569 HB VAL 70 HB VAL 70 6.678 -10.490 -1.041 570 1HG1 VAL 70 1HG1 VAL 70 7.820 -11.142 -3.127 571 2HG1 VAL 70 2HG1 VAL 70 9.186 -10.125 -2.651 572 3HG1 VAL 70 3HG1 VAL 70 7.601 -9.406 -2.943 573 1HG2 VAL 70 1HG2 VAL 70 7.924 -12.607 -1.214 574 2HG2 VAL 70 2HG2 VAL 70 7.972 -11.959 0.426 575 3HG2 VAL 70 3HG2 VAL 70 9.373 -11.793 -0.629 576 H MET 71 H MET 71 6.409 -7.833 0.582 577 HA MET 71 HA MET 71 5.998 -9.387 3.008 578 1HB MET 71 1HB MET 71 5.347 -7.333 4.241 579 2HB MET 71 2HB MET 71 7.024 -7.296 3.737 580 1HG MET 71 1HG MET 71 6.553 -5.698 2.037 581 2HG MET 71 2HG MET 71 4.817 -5.906 2.243 582 1HE MET 71 1HE MET 71 8.113 -4.735 4.039 583 2HE MET 71 2HE MET 71 7.346 -5.727 5.281 584 3HE MET 71 3HE MET 71 7.487 -3.982 5.505 585 H ILE 72 H ILE 72 4.083 -10.156 3.215 586 HA ILE 72 HA ILE 72 1.918 -9.115 1.507 587 HB ILE 72 HB ILE 72 2.068 -11.898 2.702 588 1HG1 ILE 72 1HG1 ILE 72 2.880 -11.080 -0.099 589 2HG1 ILE 72 2HG1 ILE 72 3.996 -11.564 1.167 590 1HG2 ILE 72 1HG2 ILE 72 0.422 -10.708 0.473 591 2HG2 ILE 72 2HG2 ILE 72 -0.152 -11.160 2.079 592 3HG2 ILE 72 3HG2 ILE 72 0.406 -12.402 0.954 593 1HD1 ILE 72 1HD1 ILE 72 1.875 -13.305 -0.081 594 2HD1 ILE 72 2HD1 ILE 72 2.994 -13.799 1.190 595 3HD1 ILE 72 3HD1 ILE 72 3.607 -13.377 -0.409 596 HA PRO 73 HA PRO 73 0.458 -8.615 5.768 597 1HB PRO 73 1HB PRO 73 -0.516 -6.150 5.576 598 2HB PRO 73 2HB PRO 73 1.222 -6.451 5.694 599 1HG PRO 73 1HG PRO 73 -0.386 -5.642 3.334 600 2HG PRO 73 2HG PRO 73 1.306 -5.290 3.717 601 1HD PRO 73 1HD PRO 73 0.315 -7.329 1.992 602 2HD PRO 73 2HD PRO 73 1.994 -7.075 2.501 603 H TYR 74 H TYR 74 -1.535 -8.962 6.613 604 HA TYR 74 HA TYR 74 -3.653 -9.090 6.954 605 1HB TYR 74 1HB TYR 74 -4.055 -7.722 4.279 606 2HB TYR 74 2HB TYR 74 -5.353 -8.122 5.394 607 HD1 TYR 74 HD1 TYR 74 -5.049 -7.181 7.824 608 HD2 TYR 74 HD2 TYR 74 -3.131 -5.628 4.370 609 HE1 TYR 74 HE1 TYR 74 -4.758 -5.030 8.963 610 HE2 TYR 74 HE2 TYR 74 -2.831 -3.478 5.495 611 HH TYR 74 HH TYR 74 -3.206 -3.070 8.775 612 H THR 75 H THR 75 -5.624 -9.755 4.914 613 HA THR 75 HA THR 75 -4.432 -12.152 3.982 614 HB THR 75 HB THR 75 -6.798 -11.943 5.695 615 HG1 THR 75 HG1 THR 75 -4.215 -12.490 6.021 616 1HG2 THR 75 1HG2 THR 75 -6.993 -14.451 5.586 617 2HG2 THR 75 2HG2 THR 75 -5.790 -14.439 4.292 618 3HG2 THR 75 3HG2 THR 75 -7.352 -13.645 4.065 619 H LYS 76 H LYS 76 -7.834 -11.082 4.509 620 HA LYS 76 HA LYS 76 -8.218 -10.705 1.642 621 1HB LYS 76 1HB LYS 76 -10.009 -12.211 3.550 622 2HB LYS 76 2HB LYS 76 -10.565 -11.608 1.999 623 1HG LYS 76 1HG LYS 76 -8.320 -13.593 2.377 624 2HG LYS 76 2HG LYS 76 -9.981 -13.999 1.940 625 1HD LYS 76 1HD LYS 76 -9.758 -12.650 -0.091 626 2HD LYS 76 2HD LYS 76 -8.099 -12.256 0.357 627 1HE LYS 76 1HE LYS 76 -7.487 -14.595 0.231 628 2HE LYS 76 2HE LYS 76 -9.148 -15.030 -0.164 629 1HZ LYS 76 1HZ LYS 76 -8.946 -13.660 -2.169 630 2HZ LYS 76 2HZ LYS 76 -7.824 -14.914 -2.154 631 3HZ LYS 76 3HZ LYS 76 -7.330 -13.345 -1.792 632 HA PRO 77 HA PRO 77 -9.740 -7.042 3.724 633 1HB PRO 77 1HB PRO 77 -8.457 -5.535 1.591 634 2HB PRO 77 2HB PRO 77 -8.072 -5.575 3.319 635 1HG PRO 77 1HG PRO 77 -6.382 -6.632 1.450 636 2HG PRO 77 2HG PRO 77 -6.549 -7.293 3.089 637 1HD PRO 77 1HD PRO 77 -7.908 -8.201 0.573 638 2HD PRO 77 2HD PRO 77 -6.990 -9.153 1.773 639 H CYS 78 H CYS 78 -10.698 -4.939 2.297 640 HA CYS 78 HA CYS 78 -12.828 -6.143 0.806 641 1HB CYS 78 1HB CYS 78 -13.180 -4.281 2.424 642 2HB CYS 78 2HB CYS 78 -12.276 -3.221 1.354 643 HG CYS 78 HG CYS 78 -15.038 -4.825 0.221 644 H TYR 79 H TYR 79 -9.987 -4.237 0.141 645 HA TYR 79 HA TYR 79 -10.778 -3.872 -2.615 646 1HB TYR 79 1HB TYR 79 -9.726 -2.057 -1.341 647 2HB TYR 79 2HB TYR 79 -8.257 -3.012 -1.200 648 HD1 TYR 79 HD1 TYR 79 -10.527 -1.459 -3.692 649 HD2 TYR 79 HD2 TYR 79 -6.581 -2.795 -2.837 650 HE1 TYR 79 HE1 TYR 79 -9.730 -0.406 -5.757 651 HE2 TYR 79 HE2 TYR 79 -5.774 -1.749 -4.909 652 HH TYR 79 HH TYR 79 -7.703 0.465 -6.634 653 H GLY 80 H GLY 80 -7.683 -5.020 -1.156 654 1HA GLY 80 1HA GLY 80 -7.712 -7.499 -2.421 655 2HA GLY 80 2HA GLY 80 -6.791 -6.350 -3.390 656 H THR 81 H THR 81 -5.404 -8.403 -2.398 657 HA THR 81 HA THR 81 -4.228 -7.539 0.112 658 HB THR 81 HB THR 81 -3.724 -10.094 -1.444 659 HG1 THR 81 HG1 THR 81 -5.417 -10.568 0.558 660 1HG2 THR 81 1HG2 THR 81 -2.167 -9.572 0.419 661 2HG2 THR 81 2HG2 THR 81 -3.154 -10.988 0.780 662 3HG2 THR 81 3HG2 THR 81 -3.544 -9.432 1.513 663 H ALA 82 H ALA 82 -1.830 -7.375 0.147 664 HA ALA 82 HA ALA 82 -0.766 -6.644 -2.503 665 1HB ALA 82 1HB ALA 82 -0.208 -5.303 0.123 666 2HB ALA 82 2HB ALA 82 -1.321 -4.716 -1.106 667 3HB ALA 82 3HB ALA 82 0.406 -4.829 -1.465 668 H VAL 83 H VAL 83 1.364 -7.079 -2.901 669 HA VAL 83 HA VAL 83 2.973 -8.327 -0.808 670 HB VAL 83 HB VAL 83 3.046 -9.156 -3.732 671 1HG1 VAL 83 1HG1 VAL 83 5.103 -9.526 -2.613 672 2HG1 VAL 83 2HG1 VAL 83 4.340 -11.086 -2.918 673 3HG1 VAL 83 3HG1 VAL 83 4.306 -10.382 -1.301 674 1HG2 VAL 83 1HG2 VAL 83 1.963 -11.293 -3.106 675 2HG2 VAL 83 2HG2 VAL 83 0.918 -9.884 -2.954 676 3HG2 VAL 83 3HG2 VAL 83 1.606 -10.613 -1.511 677 H VAL 84 H VAL 84 4.274 -6.539 -0.544 678 HA VAL 84 HA VAL 84 5.215 -5.386 -3.057 679 HB VAL 84 HB VAL 84 5.338 -3.143 -2.009 680 1HG1 VAL 84 1HG1 VAL 84 3.309 -3.744 -3.064 681 2HG1 VAL 84 2HG1 VAL 84 3.017 -2.714 -1.664 682 3HG1 VAL 84 3HG1 VAL 84 2.707 -4.448 -1.564 683 1HG2 VAL 84 1HG2 VAL 84 4.259 -4.479 0.483 684 2HG2 VAL 84 2HG2 VAL 84 4.538 -2.752 0.262 685 3HG2 VAL 84 3HG2 VAL 84 5.904 -3.869 0.304 686 H GLU 85 H GLU 85 7.341 -5.102 -3.438 687 HA GLU 85 HA GLU 85 9.187 -5.751 -1.271 688 1HB GLU 85 1HB GLU 85 8.908 -7.811 -2.539 689 2HB GLU 85 2HB GLU 85 9.277 -6.963 -4.041 690 1HG GLU 85 1HG GLU 85 11.537 -6.554 -3.274 691 2HG GLU 85 2HG GLU 85 11.148 -7.306 -1.725 692 H LEU 86 H LEU 86 10.760 -4.302 -1.157 693 HA LEU 86 HA LEU 86 11.101 -2.456 -3.402 694 1HB LEU 86 1HB LEU 86 10.513 -1.595 -1.135 695 2HB LEU 86 2HB LEU 86 12.014 -2.253 -0.534 696 HG LEU 86 HG LEU 86 13.168 -0.742 -2.206 697 1HD1 LEU 86 1HD1 LEU 86 11.960 1.280 -2.856 698 2HD1 LEU 86 2HD1 LEU 86 10.452 0.502 -2.354 699 3HD1 LEU 86 3HD1 LEU 86 11.431 -0.195 -3.652 700 1HD2 LEU 86 1HD2 LEU 86 13.007 1.217 -0.711 701 2HD2 LEU 86 2HD2 LEU 86 13.218 -0.294 0.168 702 3HD2 LEU 86 3HD2 LEU 86 11.632 0.467 0.095 703 HA PRO 87 HA PRO 87 15.111 -4.556 -3.876 704 1HB PRO 87 1HB PRO 87 15.883 -3.389 -6.160 705 2HB PRO 87 2HB PRO 87 14.550 -4.555 -6.150 706 1HG PRO 87 1HG PRO 87 14.453 -1.569 -6.198 707 2HG PRO 87 2HG PRO 87 13.499 -2.733 -7.132 708 1HD PRO 87 1HD PRO 87 12.604 -1.485 -4.855 709 2HD PRO 87 2HD PRO 87 12.001 -3.052 -5.425 710 H VAL 88 H VAL 88 14.487 -1.774 -2.644 711 HA VAL 88 HA VAL 88 17.217 -0.696 -2.659 712 HB VAL 88 HB VAL 88 14.739 0.771 -1.750 713 1HG1 VAL 88 1HG1 VAL 88 16.806 1.645 -0.894 714 2HG1 VAL 88 2HG1 VAL 88 16.087 2.789 -2.022 715 3HG1 VAL 88 3HG1 VAL 88 17.454 1.795 -2.527 716 1HG2 VAL 88 1HG2 VAL 88 14.666 1.998 -3.867 717 2HG2 VAL 88 2HG2 VAL 88 14.421 0.269 -4.138 718 3HG2 VAL 88 3HG2 VAL 88 15.988 1.009 -4.476 719 H ASP 89 H ASP 89 17.938 -0.130 -0.604 720 HA ASP 89 HA ASP 89 17.457 -2.001 1.426 721 1HB ASP 89 1HB ASP 89 18.851 0.667 1.506 722 2HB ASP 89 2HB ASP 89 19.040 -0.597 2.731 723 HA PRO 90 HA PRO 90 14.059 -0.439 3.857 724 1HB PRO 90 1HB PRO 90 15.090 -0.626 6.426 725 2HB PRO 90 2HB PRO 90 14.369 -1.968 5.529 726 1HG PRO 90 1HG PRO 90 17.252 -1.240 5.861 727 2HG PRO 90 2HG PRO 90 16.491 -2.841 5.893 728 1HD PRO 90 1HD PRO 90 17.813 -1.998 3.748 729 2HD PRO 90 2HD PRO 90 16.314 -2.935 3.569 730 H GLU 91 H GLU 91 17.118 1.045 4.101 731 HA GLU 91 HA GLU 91 16.565 3.268 5.753 732 1HB GLU 91 1HB GLU 91 18.490 4.313 4.626 733 2HB GLU 91 2HB GLU 91 18.833 2.673 5.164 734 1HG GLU 91 1HG GLU 91 18.494 1.842 2.951 735 2HG GLU 91 2HG GLU 91 18.081 3.451 2.363 736 H GLU 92 H GLU 92 15.511 2.504 2.604 737 HA GLU 92 HA GLU 92 15.047 5.119 1.575 738 1HB GLU 92 1HB GLU 92 15.159 2.947 0.275 739 2HB GLU 92 2HB GLU 92 13.582 2.553 0.932 740 1HG GLU 92 1HG GLU 92 13.371 3.396 -1.319 741 2HG GLU 92 2HG GLU 92 12.642 4.526 -0.181 742 H ILE 93 H ILE 93 13.528 3.142 3.952 743 HA ILE 93 HA ILE 93 10.923 4.183 3.750 744 HB ILE 93 HB ILE 93 12.326 2.667 5.956 745 1HG1 ILE 93 1HG1 ILE 93 11.757 1.394 3.978 746 2HG1 ILE 93 2HG1 ILE 93 10.746 0.893 5.333 747 1HG2 ILE 93 1HG2 ILE 93 9.443 3.575 6.002 748 2HG2 ILE 93 2HG2 ILE 93 10.720 4.117 7.092 749 3HG2 ILE 93 3HG2 ILE 93 10.177 2.439 7.132 750 1HD1 ILE 93 1HD1 ILE 93 8.913 2.283 4.439 751 2HD1 ILE 93 2HD1 ILE 93 9.419 1.024 3.320 752 3HD1 ILE 93 3HD1 ILE 93 9.910 2.680 3.040 753 H GLU 94 H GLU 94 13.795 5.354 5.257 754 HA GLU 94 HA GLU 94 12.635 7.183 7.039 755 1HB GLU 94 1HB GLU 94 15.151 7.531 5.419 756 2HB GLU 94 2HB GLU 94 14.732 8.429 6.868 757 1HG GLU 94 1HG GLU 94 14.728 6.278 8.105 758 2HG GLU 94 2HG GLU 94 15.352 5.507 6.646 759 H ARG 95 H ARG 95 13.445 7.437 3.662 760 HA ARG 95 HA ARG 95 12.614 10.073 3.169 761 1HB ARG 95 1HB ARG 95 13.972 9.107 1.535 762 2HB ARG 95 2HB ARG 95 13.066 7.611 1.511 763 1HG ARG 95 1HG ARG 95 12.897 8.997 -0.562 764 2HG ARG 95 2HG ARG 95 11.349 8.589 0.172 765 1HD ARG 95 1HD ARG 95 11.380 10.876 -0.554 766 2HD ARG 95 2HD ARG 95 11.241 10.710 1.195 767 HE ARG 95 HE ARG 95 13.952 11.068 0.305 768 1HH1 ARG 95 1HH1 ARG 95 11.039 12.834 1.181 769 2HH1 ARG 95 2HH1 ARG 95 11.823 14.162 1.847 770 1HH2 ARG 95 1HH2 ARG 95 15.106 12.895 1.188 771 2HH2 ARG 95 2HH2 ARG 95 14.232 14.215 1.822 772 H ILE 96 H ILE 96 11.014 7.001 2.808 773 HA ILE 96 HA ILE 96 8.579 8.048 1.875 774 HB ILE 96 HB ILE 96 9.554 5.478 2.914 775 1HG1 ILE 96 1HG1 ILE 96 8.749 6.323 0.138 776 2HG1 ILE 96 2HG1 ILE 96 10.381 6.137 0.760 777 1HG2 ILE 96 1HG2 ILE 96 7.430 4.354 2.110 778 2HG2 ILE 96 2HG2 ILE 96 6.754 5.953 1.805 779 3HG2 ILE 96 3HG2 ILE 96 7.140 5.460 3.454 780 1HD1 ILE 96 1HD1 ILE 96 8.376 3.921 0.370 781 2HD1 ILE 96 2HD1 ILE 96 10.022 3.728 0.976 782 3HD1 ILE 96 3HD1 ILE 96 9.749 4.278 -0.678 783 H LEU 97 H LEU 97 9.890 7.679 5.042 784 HA LEU 97 HA LEU 97 7.494 7.663 6.553 785 1HB LEU 97 1HB LEU 97 9.680 6.965 7.456 786 2HB LEU 97 2HB LEU 97 10.267 8.604 7.308 787 HG LEU 97 HG LEU 97 8.592 9.316 9.002 788 1HD1 LEU 97 1HD1 LEU 97 6.940 7.568 8.692 789 2HD1 LEU 97 2HD1 LEU 97 7.490 7.608 10.367 790 3HD1 LEU 97 3HD1 LEU 97 8.082 6.358 9.275 791 1HD2 LEU 97 1HD2 LEU 97 10.888 8.824 9.649 792 2HD2 LEU 97 2HD2 LEU 97 10.477 7.123 9.862 793 3HD2 LEU 97 3HD2 LEU 97 9.765 8.341 10.919 794 H GLU 98 H GLU 98 9.401 10.160 5.073 795 HA GLU 98 HA GLU 98 8.152 12.379 6.411 796 1HB GLU 98 1HB GLU 98 10.393 12.355 5.176 797 2HB GLU 98 2HB GLU 98 9.445 12.316 3.701 798 1HG GLU 98 1HG GLU 98 8.422 14.456 4.259 799 2HG GLU 98 2HG GLU 98 9.364 14.525 5.746 800 H VAL 99 H VAL 99 7.670 10.429 3.677 801 HA VAL 99 HA VAL 99 5.585 11.922 2.362 802 HB VAL 99 HB VAL 99 6.812 9.198 1.928 803 1HG1 VAL 99 1HG1 VAL 99 5.884 9.290 -0.374 804 2HG1 VAL 99 2HG1 VAL 99 5.059 10.793 0.046 805 3HG1 VAL 99 3HG1 VAL 99 4.606 9.287 0.844 806 1HG2 VAL 99 1HG2 VAL 99 8.028 10.249 0.078 807 2HG2 VAL 99 2HG2 VAL 99 8.414 10.946 1.653 808 3HG2 VAL 99 3HG2 VAL 99 7.337 11.800 0.546 809 H ALA 100 H ALA 100 5.708 9.980 5.047 810 HA ALA 100 HA ALA 100 3.711 8.116 4.885 811 1HB ALA 100 1HB ALA 100 4.404 9.755 7.303 812 2HB ALA 100 2HB ALA 100 5.221 8.281 6.781 813 3HB ALA 100 3HB ALA 100 3.535 8.224 7.302 814 H GLU 101 H GLU 101 3.420 11.511 5.397 815 HA GLU 101 HA GLU 101 0.638 11.219 4.937 816 1HB GLU 101 1HB GLU 101 0.877 11.122 7.395 817 2HB GLU 101 2HB GLU 101 1.678 12.680 7.378 818 1HG GLU 101 1HG GLU 101 -0.387 13.660 6.446 819 2HG GLU 101 2HG GLU 101 -1.186 12.099 6.679 820 HA PRO 102 HA PRO 102 2.352 15.123 3.123 821 1HB PRO 102 1HB PRO 102 1.587 14.598 0.539 822 2HB PRO 102 2HB PRO 102 3.124 14.094 1.244 823 1HG PRO 102 1HG PRO 102 0.927 12.443 0.421 824 2HG PRO 102 2HG PRO 102 2.489 11.952 1.101 825 1HD PRO 102 1HD PRO 102 -0.145 12.240 2.441 826 2HD PRO 102 2HD PRO 102 1.258 11.255 2.905 Start of MODEL 15 1 H HIS 1 H HIS 1 2.900 5.976 -12.923 2 HA HIS 1 HA HIS 1 0.616 7.198 -11.574 3 1HB HIS 1 1HB HIS 1 1.326 4.289 -11.943 4 2HB HIS 1 2HB HIS 1 0.367 4.837 -10.577 5 HD1 HIS 1 HD1 HIS 1 -0.230 3.342 -13.701 6 HD2 HIS 1 HD2 HIS 1 -1.808 6.638 -11.724 7 HE1 HIS 1 HE1 HIS 1 -2.471 3.781 -14.746 8 H MET 2 H MET 2 1.347 8.305 -9.975 9 HA MET 2 HA MET 2 3.009 7.073 -7.960 10 1HB MET 2 1HB MET 2 3.591 9.767 -9.223 11 2HB MET 2 2HB MET 2 4.301 9.172 -7.730 12 1HG MET 2 1HG MET 2 5.398 7.367 -8.955 13 2HG MET 2 2HG MET 2 4.669 7.942 -10.450 14 1HE MET 2 1HE MET 2 5.294 10.226 -11.623 15 2HE MET 2 2HE MET 2 6.468 11.375 -10.985 16 3HE MET 2 3HE MET 2 4.937 11.132 -10.149 17 H THR 3 H THR 3 1.971 7.449 -6.104 18 HA THR 3 HA THR 3 -0.193 9.408 -6.128 19 HB THR 3 HB THR 3 0.338 7.085 -4.275 20 HG1 THR 3 HG1 THR 3 -1.653 6.359 -5.267 21 1HG2 THR 3 1HG2 THR 3 -0.801 8.899 -3.083 22 2HG2 THR 3 2HG2 THR 3 -1.905 7.548 -3.345 23 3HG2 THR 3 3HG2 THR 3 -2.015 8.990 -4.356 24 H PHE 4 H PHE 4 0.299 11.307 -5.323 25 HA PHE 4 HA PHE 4 1.797 11.278 -2.849 26 1HB PHE 4 1HB PHE 4 2.053 13.375 -5.023 27 2HB PHE 4 2HB PHE 4 2.829 13.478 -3.446 28 HD1 PHE 4 HD1 PHE 4 3.222 12.465 -6.763 29 HD2 PHE 4 HD2 PHE 4 4.239 11.403 -2.785 30 HE1 PHE 4 HE1 PHE 4 5.046 11.072 -7.600 31 HE2 PHE 4 HE2 PHE 4 6.067 10.008 -3.621 32 HZ PHE 4 HZ PHE 4 6.449 9.816 -6.015 33 H CYS 5 H CYS 5 -1.081 11.487 -3.852 34 HA CYS 5 HA CYS 5 -1.873 13.621 -2.043 35 1HB CYS 5 1HB CYS 5 -3.096 13.067 -4.764 36 2HB CYS 5 2HB CYS 5 -3.716 14.225 -3.597 37 HG CYS 5 HG CYS 5 -2.570 15.874 -5.346 38 H LEU 6 H LEU 6 -2.682 12.384 -0.406 39 HA LEU 6 HA LEU 6 -3.748 9.847 -1.010 40 1HB LEU 6 1HB LEU 6 -3.897 9.375 1.335 41 2HB LEU 6 2HB LEU 6 -2.368 10.130 1.008 42 HG LEU 6 HG LEU 6 -2.977 10.872 3.050 43 1HD1 LEU 6 1HD1 LEU 6 -2.258 12.767 1.814 44 2HD1 LEU 6 2HD1 LEU 6 -3.483 13.259 2.983 45 3HD1 LEU 6 3HD1 LEU 6 -3.907 13.099 1.279 46 1HD2 LEU 6 1HD2 LEU 6 -5.212 10.081 3.220 47 2HD2 LEU 6 2HD2 LEU 6 -5.794 11.317 2.109 48 3HD2 LEU 6 3HD2 LEU 6 -5.214 11.779 3.707 49 H GLU 7 H GLU 7 -4.994 12.955 -0.173 50 HA GLU 7 HA GLU 7 -7.600 12.116 0.553 51 1HB GLU 7 1HB GLU 7 -6.978 13.998 1.658 52 2HB GLU 7 2HB GLU 7 -6.124 14.718 0.338 53 1HG GLU 7 1HG GLU 7 -7.980 16.107 0.762 54 2HG GLU 7 2HG GLU 7 -8.448 15.142 -0.643 55 H THR 8 H THR 8 -6.022 12.789 -2.421 56 HA THR 8 HA THR 8 -8.367 13.394 -3.868 57 HB THR 8 HB THR 8 -5.883 12.081 -4.915 58 HG1 THR 8 HG1 THR 8 -6.452 14.788 -4.197 59 1HG2 THR 8 1HG2 THR 8 -6.429 13.327 -6.972 60 2HG2 THR 8 2HG2 THR 8 -7.853 14.002 -6.181 61 3HG2 THR 8 3HG2 THR 8 -7.756 12.269 -6.495 62 H TYR 9 H TYR 9 -6.688 10.474 -2.883 63 HA TYR 9 HA TYR 9 -8.262 8.790 -4.477 64 1HB TYR 9 1HB TYR 9 -6.243 8.365 -2.366 65 2HB TYR 9 2HB TYR 9 -7.336 7.026 -2.718 66 HD1 TYR 9 HD1 TYR 9 -4.680 9.179 -4.042 67 HD2 TYR 9 HD2 TYR 9 -7.297 5.947 -4.875 68 HE1 TYR 9 HE1 TYR 9 -3.402 8.679 -6.092 69 HE2 TYR 9 HE2 TYR 9 -6.028 5.424 -6.915 70 HH TYR 9 HH TYR 9 -3.006 6.662 -7.522 71 H LEU 10 H LEU 10 -8.610 10.198 -1.418 72 HA LEU 10 HA LEU 10 -10.607 8.600 -0.309 73 1HB LEU 10 1HB LEU 10 -9.335 10.704 0.737 74 2HB LEU 10 2HB LEU 10 -10.482 11.609 -0.159 75 HG LEU 10 HG LEU 10 -11.450 9.679 1.939 76 1HD1 LEU 10 1HD1 LEU 10 -10.700 12.576 2.275 77 2HD1 LEU 10 2HD1 LEU 10 -9.880 11.197 3.008 78 3HD1 LEU 10 3HD1 LEU 10 -11.536 11.586 3.470 79 1HD2 LEU 10 1HD2 LEU 10 -13.387 11.178 1.975 80 2HD2 LEU 10 2HD2 LEU 10 -13.121 10.533 0.354 81 3HD2 LEU 10 3HD2 LEU 10 -12.635 12.184 0.737 82 H GLN 11 H GLN 11 -10.649 11.437 -2.351 83 HA GLN 11 HA GLN 11 -13.427 11.670 -2.731 84 1HB GLN 11 1HB GLN 11 -11.026 12.812 -4.116 85 2HB GLN 11 2HB GLN 11 -12.672 13.328 -4.468 86 1HG GLN 11 1HG GLN 11 -12.952 14.042 -2.171 87 2HG GLN 11 2HG GLN 11 -11.351 13.436 -1.770 88 1HE2 GLN 11 1HE2 GLN 11 -10.688 15.352 -1.058 89 2HE2 GLN 11 2HE2 GLN 11 -10.373 16.729 -2.059 90 H GLN 12 H GLN 12 -10.921 9.936 -4.359 91 HA GLN 12 HA GLN 12 -12.390 9.576 -6.737 92 1HB GLN 12 1HB GLN 12 -9.889 8.278 -5.709 93 2HB GLN 12 2HB GLN 12 -10.623 7.809 -7.230 94 1HG GLN 12 1HG GLN 12 -10.320 10.031 -8.112 95 2HG GLN 12 2HG GLN 12 -9.698 10.590 -6.557 96 1HE2 GLN 12 1HE2 GLN 12 -9.053 8.638 -9.354 97 2HE2 GLN 12 2HE2 GLN 12 -7.348 8.500 -9.081 98 H SER 13 H SER 13 -11.733 7.615 -3.873 99 HA SER 13 HA SER 13 -13.964 5.918 -4.564 100 1HB SER 13 1HB SER 13 -11.212 4.761 -4.116 101 2HB SER 13 2HB SER 13 -12.685 3.832 -4.348 102 HG SER 13 HG SER 13 -11.017 4.944 -6.169 103 H GLY 14 H GLY 14 -11.215 6.347 -2.382 104 1HA GLY 14 1HA GLY 14 -12.506 6.876 -0.090 105 2HA GLY 14 2HA GLY 14 -12.476 5.108 -0.174 106 H GLU 15 H GLU 15 -11.064 6.488 1.785 107 HA GLU 15 HA GLU 15 -8.420 6.987 1.020 108 1HB GLU 15 1HB GLU 15 -9.269 6.080 3.779 109 2HB GLU 15 2HB GLU 15 -7.852 7.005 3.349 110 1HG GLU 15 1HG GLU 15 -9.180 8.631 4.242 111 2HG GLU 15 2HG GLU 15 -9.616 8.760 2.540 112 H TYR 16 H TYR 16 -6.685 5.786 0.909 113 HA TYR 16 HA TYR 16 -6.741 2.942 1.645 114 1HB TYR 16 1HB TYR 16 -7.020 3.121 -0.783 115 2HB TYR 16 2HB TYR 16 -5.696 4.262 -0.891 116 HD1 TYR 16 HD1 TYR 16 -3.554 3.497 -1.394 117 HD2 TYR 16 HD2 TYR 16 -6.452 0.707 -0.011 118 HE1 TYR 16 HE1 TYR 16 -2.004 1.654 -1.884 119 HE2 TYR 16 HE2 TYR 16 -4.904 -1.142 -0.507 120 HH TYR 16 HH TYR 16 -1.590 -0.525 -1.388 121 H GLU 17 H GLU 17 -5.719 5.803 2.404 122 HA GLU 17 HA GLU 17 -3.142 5.116 3.373 123 1HB GLU 17 1HB GLU 17 -3.620 7.441 1.484 124 2HB GLU 17 2HB GLU 17 -2.132 7.211 2.381 125 1HG GLU 17 1HG GLU 17 -1.657 5.211 1.100 126 2HG GLU 17 2HG GLU 17 -3.224 5.337 0.302 127 H ILE 18 H ILE 18 -2.826 6.411 5.217 128 HA ILE 18 HA ILE 18 -5.148 7.868 6.064 129 HB ILE 18 HB ILE 18 -3.989 6.378 7.719 130 1HG1 ILE 18 1HG1 ILE 18 -4.122 9.266 8.609 131 2HG1 ILE 18 2HG1 ILE 18 -5.478 8.149 8.541 132 1HG2 ILE 18 1HG2 ILE 18 -1.714 6.662 7.283 133 2HG2 ILE 18 2HG2 ILE 18 -1.981 7.328 8.901 134 3HG2 ILE 18 3HG2 ILE 18 -1.808 8.407 7.522 135 1HD1 ILE 18 1HD1 ILE 18 -3.062 7.880 10.322 136 2HD1 ILE 18 2HD1 ILE 18 -4.439 6.778 10.271 137 3HD1 ILE 18 3HD1 ILE 18 -4.659 8.439 10.817 138 H HIS 19 H HIS 19 -4.862 10.160 7.126 139 HA HIS 19 HA HIS 19 -3.710 11.824 5.108 140 1HB HIS 19 1HB HIS 19 -5.851 12.426 6.262 141 2HB HIS 19 2HB HIS 19 -4.950 12.665 7.754 142 HD1 HIS 19 HD1 HIS 19 -3.960 14.985 8.098 143 HD2 HIS 19 HD2 HIS 19 -5.168 14.313 4.183 144 HE1 HIS 19 HE1 HIS 19 -3.672 17.177 6.897 145 H MET 20 H MET 20 -1.783 10.907 5.416 146 HA MET 20 HA MET 20 0.086 12.474 7.036 147 1HB MET 20 1HB MET 20 -0.193 9.514 6.797 148 2HB MET 20 2HB MET 20 1.413 10.158 7.113 149 1HG MET 20 1HG MET 20 -1.078 10.382 8.803 150 2HG MET 20 2HG MET 20 0.353 9.414 9.154 151 1HE MET 20 1HE MET 20 0.493 12.134 11.946 152 2HE MET 20 2HE MET 20 0.512 10.409 11.584 153 3HE MET 20 3HE MET 20 -0.945 11.357 11.284 154 H LYS 21 H LYS 21 2.465 11.562 5.898 155 HA LYS 21 HA LYS 21 1.999 12.500 3.211 156 1HB LYS 21 1HB LYS 21 4.601 11.870 4.592 157 2HB LYS 21 2HB LYS 21 4.461 12.516 2.964 158 1HG LYS 21 1HG LYS 21 3.317 14.496 3.902 159 2HG LYS 21 2HG LYS 21 3.621 13.862 5.520 160 1HD LYS 21 1HD LYS 21 6.058 13.785 4.900 161 2HD LYS 21 2HD LYS 21 5.636 14.707 3.453 162 1HE LYS 21 1HE LYS 21 6.421 16.174 5.226 163 2HE LYS 21 2HE LYS 21 4.723 16.481 4.869 164 1HZ LYS 21 1HZ LYS 21 5.321 16.360 7.287 165 2HZ LYS 21 2HZ LYS 21 5.593 14.693 7.062 166 3HZ LYS 21 3HZ LYS 21 4.063 15.342 6.816 167 H ARG 22 H ARG 22 1.600 11.286 1.619 168 HA ARG 22 HA ARG 22 2.416 8.530 1.763 169 1HB ARG 22 1HB ARG 22 0.413 8.027 0.582 170 2HB ARG 22 2HB ARG 22 -0.004 9.283 1.694 171 1HG ARG 22 1HG ARG 22 0.391 9.565 -1.258 172 2HG ARG 22 2HG ARG 22 -1.123 9.671 -0.393 173 1HD ARG 22 1HD ARG 22 1.181 11.602 -0.430 174 2HD ARG 22 2HD ARG 22 -0.445 11.863 -1.020 175 HE ARG 22 HE ARG 22 -0.560 11.442 1.742 176 1HH1 ARG 22 1HH1 ARG 22 0.629 13.861 -0.611 177 2HH1 ARG 22 2HH1 ARG 22 0.608 15.135 0.502 178 1HH2 ARG 22 1HH2 ARG 22 -0.516 13.297 3.263 179 2HH2 ARG 22 2HH2 ARG 22 -0.060 14.828 2.694 180 H ALA 23 H ALA 23 3.741 7.777 0.231 181 HA ALA 23 HA ALA 23 4.218 9.321 -2.178 182 1HB ALA 23 1HB ALA 23 6.361 8.160 -0.374 183 2HB ALA 23 2HB ALA 23 6.076 9.875 -0.675 184 3HB ALA 23 3HB ALA 23 6.659 8.833 -1.974 185 H GLY 24 H GLY 24 2.848 7.815 -3.068 186 1HA GLY 24 1HA GLY 24 3.719 5.034 -2.930 187 2HA GLY 24 2HA GLY 24 2.112 5.587 -3.411 188 H PHE 25 H PHE 25 5.477 5.365 -4.409 189 HA PHE 25 HA PHE 25 4.958 6.330 -7.034 190 1HB PHE 25 1HB PHE 25 7.292 4.659 -6.062 191 2HB PHE 25 2HB PHE 25 7.204 5.457 -7.620 192 HD1 PHE 25 HD1 PHE 25 7.376 6.032 -3.975 193 HD2 PHE 25 HD2 PHE 25 7.858 7.704 -7.851 194 HE1 PHE 25 HE1 PHE 25 8.500 7.988 -2.980 195 HE2 PHE 25 HE2 PHE 25 8.980 9.668 -6.867 196 HZ PHE 25 HZ PHE 25 9.301 9.810 -4.431 197 H ARG 26 H ARG 26 6.185 3.050 -6.406 198 HA ARG 26 HA ARG 26 4.861 2.280 -8.825 199 1HB ARG 26 1HB ARG 26 6.293 0.439 -6.925 200 2HB ARG 26 2HB ARG 26 5.775 0.047 -8.556 201 1HG ARG 26 1HG ARG 26 7.258 2.093 -9.208 202 2HG ARG 26 2HG ARG 26 8.013 1.789 -7.648 203 1HD ARG 26 1HD ARG 26 9.277 0.562 -9.239 204 2HD ARG 26 2HD ARG 26 8.288 -0.618 -8.377 205 HE ARG 26 HE ARG 26 7.765 0.424 -11.073 206 1HH1 ARG 26 1HH1 ARG 26 7.210 -2.093 -8.668 207 2HH1 ARG 26 2HH1 ARG 26 6.504 -3.199 -9.730 208 1HH2 ARG 26 1HH2 ARG 26 6.851 -1.095 -12.583 209 2HH2 ARG 26 2HH2 ARG 26 6.307 -2.609 -12.054 210 H GLU 27 H GLU 27 3.971 1.925 -5.422 211 HA GLU 27 HA GLU 27 2.097 -0.122 -5.946 212 1HB GLU 27 1HB GLU 27 3.218 0.256 -3.763 213 2HB GLU 27 2HB GLU 27 2.398 1.804 -3.667 214 1HG GLU 27 1HG GLU 27 1.606 -0.263 -2.306 215 2HG GLU 27 2HG GLU 27 0.399 0.841 -2.981 216 H CYS 28 H CYS 28 2.174 3.205 -6.584 217 HA CYS 28 HA CYS 28 -0.527 3.879 -6.437 218 1HB CYS 28 1HB CYS 28 1.252 5.485 -7.012 219 2HB CYS 28 2HB CYS 28 1.422 4.717 -8.584 220 HG CYS 28 HG CYS 28 -0.894 6.759 -7.386 221 H ALA 29 H ALA 29 1.266 1.941 -8.751 222 HA ALA 29 HA ALA 29 -0.745 1.799 -10.767 223 1HB ALA 29 1HB ALA 29 1.552 -0.059 -10.220 224 2HB ALA 29 2HB ALA 29 1.627 1.370 -11.248 225 3HB ALA 29 3HB ALA 29 0.599 0.009 -11.700 226 H ALA 30 H ALA 30 0.225 -0.222 -8.139 227 HA ALA 30 HA ALA 30 -1.568 -2.294 -8.587 228 1HB ALA 30 1HB ALA 30 -0.389 -1.405 -6.037 229 2HB ALA 30 2HB ALA 30 0.480 -2.236 -7.299 230 3HB ALA 30 3HB ALA 30 -0.892 -3.035 -6.498 231 H MET 31 H MET 31 -1.760 0.552 -6.460 232 HA MET 31 HA MET 31 -4.088 -0.205 -5.125 233 1HB MET 31 1HB MET 31 -4.432 2.150 -4.496 234 2HB MET 31 2HB MET 31 -2.758 1.665 -4.306 235 1HG MET 31 1HG MET 31 -2.207 2.783 -6.402 236 2HG MET 31 2HG MET 31 -3.884 3.263 -6.585 237 1HE MET 31 1HE MET 31 -0.648 3.651 -4.327 238 2HE MET 31 2HE MET 31 -1.883 3.232 -3.137 239 3HE MET 31 3HE MET 31 -1.195 4.850 -3.157 240 H ILE 32 H ILE 32 -3.736 1.236 -8.264 241 HA ILE 32 HA ILE 32 -6.407 1.973 -8.734 242 HB ILE 32 HB ILE 32 -4.333 0.954 -10.698 243 1HG1 ILE 32 1HG1 ILE 32 -3.513 2.921 -9.535 244 2HG1 ILE 32 2HG1 ILE 32 -3.900 3.336 -11.197 245 1HG2 ILE 32 1HG2 ILE 32 -6.857 2.515 -11.246 246 2HG2 ILE 32 2HG2 ILE 32 -6.548 0.832 -11.677 247 3HG2 ILE 32 3HG2 ILE 32 -5.616 2.123 -12.437 248 1HD1 ILE 32 1HD1 ILE 32 -5.997 4.340 -10.445 249 2HD1 ILE 32 2HD1 ILE 32 -4.587 5.080 -9.685 250 3HD1 ILE 32 3HD1 ILE 32 -5.582 3.944 -8.774 251 H GLU 33 H GLU 33 -4.655 -1.021 -9.057 252 HA GLU 33 HA GLU 33 -6.760 -2.501 -10.324 253 1HB GLU 33 1HB GLU 33 -4.325 -3.573 -8.908 254 2HB GLU 33 2HB GLU 33 -5.267 -4.343 -10.175 255 1HG GLU 33 1HG GLU 33 -3.591 -1.880 -10.544 256 2HG GLU 33 2HG GLU 33 -3.082 -3.517 -10.931 257 H LYS 34 H LYS 34 -5.470 -2.061 -7.093 258 HA LYS 34 HA LYS 34 -6.827 -4.174 -5.819 259 1HB LYS 34 1HB LYS 34 -5.449 -1.714 -4.806 260 2HB LYS 34 2HB LYS 34 -6.252 -2.823 -3.699 261 1HG LYS 34 1HG LYS 34 -4.809 -4.508 -4.065 262 2HG LYS 34 2HG LYS 34 -4.347 -3.994 -5.683 263 1HD LYS 34 1HD LYS 34 -3.103 -2.119 -4.573 264 2HD LYS 34 2HD LYS 34 -3.483 -2.877 -3.021 265 1HE LYS 34 1HE LYS 34 -2.436 -4.963 -3.841 266 2HE LYS 34 2HE LYS 34 -1.978 -4.139 -5.312 267 1HZ LYS 34 1HZ LYS 34 -0.120 -4.183 -3.751 268 2HZ LYS 34 2HZ LYS 34 -1.053 -3.347 -2.596 269 3HZ LYS 34 3HZ LYS 34 -0.656 -2.629 -4.007 270 H LYS 35 H LYS 35 -7.915 -1.253 -6.912 271 HA LYS 35 HA LYS 35 -10.104 -0.726 -5.194 272 1HB LYS 35 1HB LYS 35 -9.270 0.970 -6.685 273 2HB LYS 35 2HB LYS 35 -9.505 -0.063 -8.080 274 1HG LYS 35 1HG LYS 35 -11.956 0.090 -7.708 275 2HG LYS 35 2HG LYS 35 -11.635 1.231 -6.398 276 1HD LYS 35 1HD LYS 35 -10.641 2.794 -7.902 277 2HD LYS 35 2HD LYS 35 -10.673 1.628 -9.223 278 1HE LYS 35 1HE LYS 35 -12.461 3.238 -9.507 279 2HE LYS 35 2HE LYS 35 -13.105 1.638 -9.162 280 1HZ LYS 35 1HZ LYS 35 -12.815 3.781 -7.112 281 2HZ LYS 35 2HZ LYS 35 -13.586 2.284 -6.929 282 3HZ LYS 35 3HZ LYS 35 -14.224 3.443 -7.963 283 H ALA 36 H ALA 36 -9.515 -3.039 -7.724 284 HA ALA 36 HA ALA 36 -12.211 -3.525 -8.425 285 1HB ALA 36 1HB ALA 36 -9.796 -5.284 -8.856 286 2HB ALA 36 2HB ALA 36 -10.378 -4.040 -9.961 287 3HB ALA 36 3HB ALA 36 -11.360 -5.471 -9.645 288 H ARG 37 H ARG 37 -9.948 -4.992 -6.165 289 HA ARG 37 HA ARG 37 -11.809 -5.899 -4.330 290 1HB ARG 37 1HB ARG 37 -12.458 -7.579 -6.063 291 2HB ARG 37 2HB ARG 37 -10.785 -8.136 -6.074 292 1HG ARG 37 1HG ARG 37 -10.953 -8.868 -3.777 293 2HG ARG 37 2HG ARG 37 -12.595 -8.242 -3.666 294 1HD ARG 37 1HD ARG 37 -11.710 -10.406 -5.565 295 2HD ARG 37 2HD ARG 37 -12.469 -10.704 -4.003 296 HE ARG 37 HE ARG 37 -14.105 -8.975 -5.448 297 1HH1 ARG 37 1HH1 ARG 37 -13.005 -12.327 -5.683 298 2HH1 ARG 37 2HH1 ARG 37 -14.437 -12.901 -6.381 299 1HH2 ARG 37 1HH2 ARG 37 -16.062 -9.748 -6.425 300 2HH2 ARG 37 2HH2 ARG 37 -16.204 -11.391 -6.854 301 H ARG 38 H ARG 38 -8.994 -7.500 -5.780 302 HA ARG 38 HA ARG 38 -7.278 -6.620 -3.741 303 1HB ARG 38 1HB ARG 38 -8.390 -8.391 -2.492 304 2HB ARG 38 2HB ARG 38 -8.115 -9.528 -3.795 305 1HG ARG 38 1HG ARG 38 -5.702 -9.410 -3.401 306 2HG ARG 38 2HG ARG 38 -5.980 -8.274 -2.082 307 1HD ARG 38 1HD ARG 38 -5.654 -10.555 -1.248 308 2HD ARG 38 2HD ARG 38 -7.271 -9.956 -0.881 309 HE ARG 38 HE ARG 38 -7.127 -11.416 -3.329 310 1HH1 ARG 38 1HH1 ARG 38 -7.427 -11.814 0.194 311 2HH1 ARG 38 2HH1 ARG 38 -8.228 -13.302 0.098 312 1HH2 ARG 38 1HH2 ARG 38 -8.224 -13.442 -3.459 313 2HH2 ARG 38 2HH2 ARG 38 -8.703 -14.265 -2.034 314 H VAL 39 H VAL 39 -5.303 -6.518 -4.784 315 HA VAL 39 HA VAL 39 -4.683 -8.434 -6.912 316 HB VAL 39 HB VAL 39 -4.611 -5.397 -7.211 317 1HG1 VAL 39 1HG1 VAL 39 -3.715 -5.706 -9.467 318 2HG1 VAL 39 2HG1 VAL 39 -3.677 -7.445 -9.237 319 3HG1 VAL 39 3HG1 VAL 39 -2.612 -6.410 -8.284 320 1HG2 VAL 39 1HG2 VAL 39 -6.804 -6.356 -7.577 321 2HG2 VAL 39 2HG2 VAL 39 -6.140 -7.495 -8.746 322 3HG2 VAL 39 3HG2 VAL 39 -6.147 -5.771 -9.104 323 H VAL 40 H VAL 40 -2.364 -8.495 -7.398 324 HA VAL 40 HA VAL 40 -0.689 -7.619 -5.153 325 HB VAL 40 HB VAL 40 -0.762 -10.074 -5.387 326 1HG1 VAL 40 1HG1 VAL 40 0.186 -9.646 -8.205 327 2HG1 VAL 40 2HG1 VAL 40 -1.387 -10.261 -7.696 328 3HG1 VAL 40 3HG1 VAL 40 0.069 -11.205 -7.390 329 1HG2 VAL 40 1HG2 VAL 40 1.624 -10.588 -5.632 330 2HG2 VAL 40 2HG2 VAL 40 1.400 -9.104 -4.697 331 3HG2 VAL 40 3HG2 VAL 40 1.890 -9.017 -6.385 332 H HIS 41 H HIS 41 1.376 -6.674 -5.597 333 HA HIS 41 HA HIS 41 1.872 -5.994 -8.372 334 1HB HIS 41 1HB HIS 41 0.722 -4.139 -7.109 335 2HB HIS 41 2HB HIS 41 2.141 -4.044 -6.080 336 HD1 HIS 41 HD1 HIS 41 1.070 -3.352 -9.716 337 HD2 HIS 41 HD2 HIS 41 4.147 -2.413 -7.071 338 HE1 HIS 41 HE1 HIS 41 2.644 -1.838 -10.940 339 H ILE 42 H ILE 42 3.896 -6.374 -8.815 340 HA ILE 42 HA ILE 42 5.589 -7.227 -6.628 341 HB ILE 42 HB ILE 42 5.788 -7.704 -9.613 342 1HG1 ILE 42 1HG1 ILE 42 5.591 -10.162 -8.918 343 2HG1 ILE 42 2HG1 ILE 42 5.078 -9.577 -7.347 344 1HG2 ILE 42 1HG2 ILE 42 7.639 -8.702 -7.443 345 2HG2 ILE 42 2HG2 ILE 42 8.034 -7.562 -8.732 346 3HG2 ILE 42 3HG2 ILE 42 7.677 -9.242 -9.121 347 1HD1 ILE 42 1HD1 ILE 42 3.152 -8.480 -8.421 348 2HD1 ILE 42 2HD1 ILE 42 3.179 -10.221 -8.708 349 3HD1 ILE 42 3HD1 ILE 42 3.683 -9.110 -9.980 350 H LYS 43 H LYS 43 7.470 -6.232 -6.181 351 HA LYS 43 HA LYS 43 9.061 -4.689 -6.052 352 1HB LYS 43 1HB LYS 43 8.418 -4.050 -8.942 353 2HB LYS 43 2HB LYS 43 9.724 -3.301 -8.048 354 1HG LYS 43 1HG LYS 43 10.748 -5.503 -7.762 355 2HG LYS 43 2HG LYS 43 9.450 -6.216 -8.719 356 1HD LYS 43 1HD LYS 43 10.091 -4.842 -10.619 357 2HD LYS 43 2HD LYS 43 11.376 -4.099 -9.661 358 1HE LYS 43 1HE LYS 43 12.397 -6.324 -9.365 359 2HE LYS 43 2HE LYS 43 11.140 -7.012 -10.383 360 1HZ LYS 43 1HZ LYS 43 13.125 -4.981 -11.233 361 2HZ LYS 43 2HZ LYS 43 11.926 -5.653 -12.214 362 3HZ LYS 43 3HZ LYS 43 13.156 -6.620 -11.594 363 HA PRO 44 HA PRO 44 5.681 -1.498 -5.635 364 1HB PRO 44 1HB PRO 44 5.222 -1.649 -2.957 365 2HB PRO 44 2HB PRO 44 4.379 -2.684 -4.113 366 1HG PRO 44 1HG PRO 44 6.741 -3.308 -2.403 367 2HG PRO 44 2HG PRO 44 5.323 -4.308 -2.750 368 1HD PRO 44 1HD PRO 44 7.704 -4.612 -3.994 369 2HD PRO 44 2HD PRO 44 6.151 -5.014 -4.749 370 H GLY 45 H GLY 45 6.130 0.559 -4.985 371 1HA GLY 45 1HA GLY 45 8.654 1.017 -3.550 372 2HA GLY 45 2HA GLY 45 8.409 1.769 -5.130 373 H GLU 46 H GLU 46 6.212 1.197 -2.476 374 HA GLU 46 HA GLU 46 5.558 3.998 -2.509 375 1HB GLU 46 1HB GLU 46 3.381 3.276 -2.105 376 2HB GLU 46 2HB GLU 46 4.113 1.950 -2.888 377 1HG GLU 46 1HG GLU 46 4.021 1.940 0.107 378 2HG GLU 46 2HG GLU 46 2.694 1.338 -0.870 379 H LYS 47 H LYS 47 5.474 5.100 -0.666 380 HA LYS 47 HA LYS 47 6.319 3.942 1.845 381 1HB LYS 47 1HB LYS 47 7.156 6.542 0.644 382 2HB LYS 47 2HB LYS 47 7.483 6.053 2.303 383 1HG LYS 47 1HG LYS 47 8.840 4.243 1.531 384 2HG LYS 47 2HG LYS 47 8.477 4.656 -0.153 385 1HD LYS 47 1HD LYS 47 9.741 6.366 1.872 386 2HD LYS 47 2HD LYS 47 10.621 5.480 0.603 387 1HE LYS 47 1HE LYS 47 9.157 6.785 -1.043 388 2HE LYS 47 2HE LYS 47 8.622 7.733 0.334 389 1HZ LYS 47 1HZ LYS 47 10.403 8.983 -0.614 390 2HZ LYS 47 2HZ LYS 47 11.362 7.625 -0.778 391 3HZ LYS 47 3HZ LYS 47 11.010 8.241 0.761 392 H ILE 48 H ILE 48 4.411 3.861 2.032 393 HA ILE 48 HA ILE 48 2.776 6.263 1.959 394 HB ILE 48 HB ILE 48 0.732 4.867 2.131 395 1HG1 ILE 48 1HG1 ILE 48 2.647 2.528 1.813 396 2HG1 ILE 48 2HG1 ILE 48 1.737 2.889 3.274 397 1HG2 ILE 48 1HG2 ILE 48 1.552 5.611 -0.008 398 2HG2 ILE 48 2HG2 ILE 48 0.876 3.988 -0.155 399 3HG2 ILE 48 3HG2 ILE 48 2.625 4.217 -0.111 400 1HD1 ILE 48 1HD1 ILE 48 0.695 1.094 1.996 401 2HD1 ILE 48 2HD1 ILE 48 0.558 2.159 0.597 402 3HD1 ILE 48 3HD1 ILE 48 -0.353 2.512 2.064 403 H LEU 49 H LEU 49 2.953 7.434 3.593 404 HA LEU 49 HA LEU 49 2.668 8.344 5.615 405 1HB LEU 49 1HB LEU 49 1.064 5.972 6.506 406 2HB LEU 49 2HB LEU 49 0.918 7.630 7.018 407 HG LEU 49 HG LEU 49 -0.959 7.490 5.772 408 1HD1 LEU 49 1HD1 LEU 49 0.200 9.234 4.737 409 2HD1 LEU 49 2HD1 LEU 49 -0.827 8.384 3.591 410 3HD1 LEU 49 3HD1 LEU 49 0.916 8.116 3.579 411 1HD2 LEU 49 1HD2 LEU 49 0.365 5.466 4.000 412 2HD2 LEU 49 2HD2 LEU 49 -1.291 6.041 3.807 413 3HD2 LEU 49 3HD2 LEU 49 -0.828 5.157 5.261 414 H GLY 50 H GLY 50 4.518 5.860 5.244 415 1HA GLY 50 1HA GLY 50 6.295 5.001 6.561 416 2HA GLY 50 2HA GLY 50 5.677 5.946 7.914 417 H ALA 51 H ALA 51 3.076 4.412 6.782 418 HA ALA 51 HA ALA 51 3.294 1.782 7.843 419 1HB ALA 51 1HB ALA 51 1.599 2.125 9.616 420 2HB ALA 51 2HB ALA 51 1.627 3.857 9.297 421 3HB ALA 51 3HB ALA 51 3.055 3.066 9.953 422 H ARG 52 H ARG 52 1.747 0.615 6.785 423 HA ARG 52 HA ARG 52 0.210 1.975 4.763 424 1HB ARG 52 1HB ARG 52 0.004 -0.916 5.525 425 2HB ARG 52 2HB ARG 52 -0.416 -0.188 3.985 426 1HG ARG 52 1HG ARG 52 1.977 0.225 3.574 427 2HG ARG 52 2HG ARG 52 2.352 -0.549 5.116 428 1HD ARG 52 1HD ARG 52 1.129 -1.787 2.661 429 2HD ARG 52 2HD ARG 52 2.637 -2.225 3.467 430 HE ARG 52 HE ARG 52 -0.007 -2.584 4.710 431 1HH1 ARG 52 1HH1 ARG 52 3.250 -3.830 4.117 432 2HH1 ARG 52 2HH1 ARG 52 2.921 -5.382 4.749 433 1HH2 ARG 52 1HH2 ARG 52 -0.435 -4.754 5.582 434 2HH2 ARG 52 2HH2 ARG 52 0.788 -5.939 5.560 435 H ILE 53 H ILE 53 -1.243 3.200 6.015 436 HA ILE 53 HA ILE 53 -3.260 1.685 7.512 437 HB ILE 53 HB ILE 53 -2.680 4.662 7.526 438 1HG1 ILE 53 1HG1 ILE 53 -1.932 2.564 9.589 439 2HG1 ILE 53 2HG1 ILE 53 -0.813 3.363 8.498 440 1HG2 ILE 53 1HG2 ILE 53 -4.424 2.975 9.341 441 2HG2 ILE 53 2HG2 ILE 53 -4.999 4.107 8.117 442 3HG2 ILE 53 3HG2 ILE 53 -4.129 4.703 9.532 443 1HD1 ILE 53 1HD1 ILE 53 -1.258 5.494 9.586 444 2HD1 ILE 53 2HD1 ILE 53 -0.714 4.283 10.747 445 3HD1 ILE 53 3HD1 ILE 53 -2.422 4.711 10.655 446 H ILE 54 H ILE 54 -5.228 1.567 6.570 447 HA ILE 54 HA ILE 54 -5.603 2.618 3.939 448 HB ILE 54 HB ILE 54 -7.553 1.259 5.839 449 1HG1 ILE 54 1HG1 ILE 54 -5.655 -0.204 5.390 450 2HG1 ILE 54 2HG1 ILE 54 -7.096 -0.816 4.592 451 1HG2 ILE 54 1HG2 ILE 54 -7.766 1.607 2.856 452 2HG2 ILE 54 2HG2 ILE 54 -8.709 2.469 4.069 453 3HG2 ILE 54 3HG2 ILE 54 -8.895 0.725 3.884 454 1HD1 ILE 54 1HD1 ILE 54 -4.829 0.678 3.277 455 2HD1 ILE 54 2HD1 ILE 54 -6.282 0.100 2.463 456 3HD1 ILE 54 3HD1 ILE 54 -5.148 -1.052 3.170 457 H GLY 55 H GLY 55 -6.717 3.325 7.155 458 1HA GLY 55 1HA GLY 55 -7.216 5.586 7.845 459 2HA GLY 55 2HA GLY 55 -7.673 5.944 6.177 460 H ILE 56 H ILE 56 -9.045 3.511 5.863 461 HA ILE 56 HA ILE 56 -11.549 4.087 7.278 462 HB ILE 56 HB ILE 56 -10.982 2.322 4.887 463 1HG1 ILE 56 1HG1 ILE 56 -12.180 5.102 4.960 464 2HG1 ILE 56 2HG1 ILE 56 -10.596 4.663 4.336 465 1HG2 ILE 56 1HG2 ILE 56 -13.455 2.312 4.582 466 2HG2 ILE 56 2HG2 ILE 56 -13.625 3.262 6.057 467 3HG2 ILE 56 3HG2 ILE 56 -12.976 1.623 6.135 468 1HD1 ILE 56 1HD1 ILE 56 -11.684 3.320 2.586 469 2HD1 ILE 56 2HD1 ILE 56 -12.145 5.023 2.531 470 3HD1 ILE 56 3HD1 ILE 56 -13.252 3.835 3.218 471 HA PRO 57 HA PRO 57 -10.220 0.664 9.906 472 1HB PRO 57 1HB PRO 57 -13.172 0.441 10.281 473 2HB PRO 57 2HB PRO 57 -11.890 0.474 11.498 474 1HG PRO 57 1HG PRO 57 -13.372 2.625 11.087 475 2HG PRO 57 2HG PRO 57 -11.623 2.778 11.339 476 1HD PRO 57 1HD PRO 57 -13.195 2.974 8.804 477 2HD PRO 57 2HD PRO 57 -11.772 3.895 9.330 478 HA PRO 58 HA PRO 58 -11.446 -2.575 7.020 479 1HB PRO 58 1HB PRO 58 -9.042 -3.620 6.626 480 2HB PRO 58 2HB PRO 58 -9.498 -2.089 5.871 481 1HG PRO 58 1HG PRO 58 -7.675 -2.617 8.122 482 2HG PRO 58 2HG PRO 58 -7.691 -1.254 6.974 483 1HD PRO 58 1HD PRO 58 -8.754 -1.338 9.656 484 2HD PRO 58 2HD PRO 58 -8.811 0.010 8.501 485 H VAL 59 H VAL 59 -12.077 -4.481 7.586 486 HA VAL 59 HA VAL 59 -11.594 -5.603 10.165 487 HB VAL 59 HB VAL 59 -12.721 -7.032 7.719 488 1HG1 VAL 59 1HG1 VAL 59 -13.077 -7.620 10.652 489 2HG1 VAL 59 2HG1 VAL 59 -12.068 -8.538 9.539 490 3HG1 VAL 59 3HG1 VAL 59 -13.820 -8.508 9.320 491 1HG2 VAL 59 1HG2 VAL 59 -14.183 -5.496 9.866 492 2HG2 VAL 59 2HG2 VAL 59 -14.936 -6.414 8.562 493 3HG2 VAL 59 3HG2 VAL 59 -13.971 -4.984 8.194 494 HA PRO 60 HA PRO 60 -7.688 -7.107 8.719 495 1HB PRO 60 1HB PRO 60 -6.513 -7.557 11.064 496 2HB PRO 60 2HB PRO 60 -6.872 -5.921 10.502 497 1HG PRO 60 1HG PRO 60 -8.288 -7.567 12.538 498 2HG PRO 60 2HG PRO 60 -8.029 -5.816 12.486 499 1HD PRO 60 1HD PRO 60 -10.372 -7.174 11.718 500 2HD PRO 60 2HD PRO 60 -9.962 -5.483 11.366 501 H ILE 61 H ILE 61 -8.512 -8.980 7.718 502 HA ILE 61 HA ILE 61 -8.003 -11.449 9.220 503 HB ILE 61 HB ILE 61 -9.872 -10.975 6.854 504 1HG1 ILE 61 1HG1 ILE 61 -10.615 -11.611 9.720 505 2HG1 ILE 61 2HG1 ILE 61 -10.737 -10.025 8.974 506 1HG2 ILE 61 1HG2 ILE 61 -9.413 -13.477 8.476 507 2HG2 ILE 61 2HG2 ILE 61 -8.909 -13.206 6.808 508 3HG2 ILE 61 3HG2 ILE 61 -10.627 -13.276 7.214 509 1HD1 ILE 61 1HD1 ILE 61 -12.394 -10.881 7.406 510 2HD1 ILE 61 2HD1 ILE 61 -12.901 -11.158 9.072 511 3HD1 ILE 61 3HD1 ILE 61 -12.244 -12.488 8.114 512 H GLY 62 H GLY 62 -6.594 -12.889 7.997 513 1HA GLY 62 1HA GLY 62 -6.024 -13.028 5.401 514 2HA GLY 62 2HA GLY 62 -5.371 -11.458 5.835 515 H ILE 63 H ILE 63 -3.558 -12.890 4.764 516 HA ILE 63 HA ILE 63 -1.922 -13.872 6.983 517 HB ILE 63 HB ILE 63 -1.947 -14.882 4.110 518 1HG1 ILE 63 1HG1 ILE 63 -2.788 -16.317 6.643 519 2HG1 ILE 63 2HG1 ILE 63 -3.893 -15.645 5.452 520 1HG2 ILE 63 1HG2 ILE 63 -0.332 -16.560 4.886 521 2HG2 ILE 63 2HG2 ILE 63 -0.328 -15.815 6.482 522 3HG2 ILE 63 3HG2 ILE 63 0.290 -14.922 5.093 523 1HD1 ILE 63 1HD1 ILE 63 -1.916 -17.866 4.973 524 2HD1 ILE 63 2HD1 ILE 63 -3.036 -17.209 3.781 525 3HD1 ILE 63 3HD1 ILE 63 -3.654 -18.056 5.201 526 H ASP 64 H ASP 64 -0.625 -12.091 7.293 527 HA ASP 64 HA ASP 64 0.540 -10.754 4.955 528 1HB ASP 64 1HB ASP 64 -0.466 -9.335 6.786 529 2HB ASP 64 2HB ASP 64 0.695 -10.015 7.910 530 H GLU 65 H GLU 65 2.265 -11.867 4.275 531 HA GLU 65 HA GLU 65 3.778 -13.459 6.104 532 1HB GLU 65 1HB GLU 65 3.994 -12.951 3.157 533 2HB GLU 65 2HB GLU 65 5.120 -13.973 4.039 534 1HG GLU 65 1HG GLU 65 2.148 -14.403 3.918 535 2HG GLU 65 2HG GLU 65 3.331 -15.227 2.900 536 H GLU 66 H GLU 66 4.810 -11.057 3.742 537 HA GLU 66 HA GLU 66 6.329 -9.576 5.564 538 1HB GLU 66 1HB GLU 66 7.752 -11.639 5.479 539 2HB GLU 66 2HB GLU 66 7.839 -11.489 3.734 540 1HG GLU 66 1HG GLU 66 9.884 -10.767 4.976 541 2HG GLU 66 2HG GLU 66 9.213 -9.553 3.891 542 H ARG 67 H ARG 67 7.670 -8.069 4.238 543 HA ARG 67 HA ARG 67 6.059 -6.730 2.311 544 1HB ARG 67 1HB ARG 67 7.906 -5.909 3.991 545 2HB ARG 67 2HB ARG 67 9.010 -6.350 2.721 546 1HG ARG 67 1HG ARG 67 6.851 -4.243 2.523 547 2HG ARG 67 2HG ARG 67 8.569 -3.964 2.761 548 1HD ARG 67 1HD ARG 67 8.915 -5.138 0.546 549 2HD ARG 67 2HD ARG 67 7.174 -5.023 0.325 550 HE ARG 67 HE ARG 67 9.112 -2.891 0.190 551 1HH1 ARG 67 1HH1 ARG 67 5.620 -3.568 0.568 552 2HH1 ARG 67 2HH1 ARG 67 5.168 -2.048 -0.083 553 1HH2 ARG 67 1HH2 ARG 67 8.349 -0.818 -0.780 554 2HH2 ARG 67 2HH2 ARG 67 6.661 -0.611 -0.891 555 H SER 68 H SER 68 8.782 -8.883 2.252 556 HA SER 68 HA SER 68 9.023 -8.657 -0.605 557 1HB SER 68 1HB SER 68 10.785 -10.036 1.394 558 2HB SER 68 2HB SER 68 11.170 -9.682 -0.298 559 HG SER 68 HG SER 68 11.794 -7.848 0.308 560 H THR 69 H THR 69 6.852 -9.960 0.544 561 HA THR 69 HA THR 69 6.998 -12.513 -0.799 562 HB THR 69 HB THR 69 6.072 -12.347 2.091 563 HG1 THR 69 HG1 THR 69 8.556 -12.669 1.005 564 1HG2 THR 69 1HG2 THR 69 6.128 -14.820 1.993 565 2HG2 THR 69 2HG2 THR 69 6.638 -14.736 0.309 566 3HG2 THR 69 3HG2 THR 69 5.039 -14.158 0.775 567 H VAL 70 H VAL 70 4.737 -13.301 -1.054 568 HA VAL 70 HA VAL 70 2.993 -11.068 -1.419 569 HB VAL 70 HB VAL 70 1.333 -12.811 -2.251 570 1HG1 VAL 70 1HG1 VAL 70 2.610 -11.470 -3.770 571 2HG1 VAL 70 2HG1 VAL 70 2.495 -13.123 -4.379 572 3HG1 VAL 70 3HG1 VAL 70 3.984 -12.564 -3.620 573 1HG2 VAL 70 1HG2 VAL 70 3.756 -14.604 -2.090 574 2HG2 VAL 70 2HG2 VAL 70 2.235 -15.002 -2.894 575 3HG2 VAL 70 3HG2 VAL 70 2.279 -14.780 -1.144 576 H MET 71 H MET 71 1.742 -10.339 -0.049 577 HA MET 71 HA MET 71 0.908 -11.938 2.240 578 1HB MET 71 1HB MET 71 0.217 -9.740 3.203 579 2HB MET 71 2HB MET 71 1.930 -9.809 2.809 580 1HG MET 71 1HG MET 71 1.386 -8.586 0.685 581 2HG MET 71 2HG MET 71 -0.257 -8.409 1.283 582 1HE MET 71 1HE MET 71 3.479 -7.620 1.814 583 2HE MET 71 2HE MET 71 3.082 -8.230 3.429 584 3HE MET 71 3HE MET 71 3.462 -6.527 3.190 585 H ILE 72 H ILE 72 -0.979 -12.948 1.957 586 HA ILE 72 HA ILE 72 -2.909 -11.642 0.170 587 HB ILE 72 HB ILE 72 -2.936 -14.590 0.944 588 1HG1 ILE 72 1HG1 ILE 72 -2.477 -14.922 -1.578 589 2HG1 ILE 72 2HG1 ILE 72 -1.931 -13.253 -1.576 590 1HG2 ILE 72 1HG2 ILE 72 -4.581 -13.078 -1.080 591 2HG2 ILE 72 2HG2 ILE 72 -5.140 -13.692 0.474 592 3HG2 ILE 72 3HG2 ILE 72 -4.648 -14.817 -0.792 593 1HD1 ILE 72 1HD1 ILE 72 -0.075 -14.805 -1.421 594 2HD1 ILE 72 2HD1 ILE 72 -0.765 -15.501 0.048 595 3HD1 ILE 72 3HD1 ILE 72 -0.202 -13.830 0.043 596 HA PRO 73 HA PRO 73 -5.039 -11.586 4.051 597 1HB PRO 73 1HB PRO 73 -5.517 -8.884 4.126 598 2HB PRO 73 2HB PRO 73 -4.061 -9.653 4.763 599 1HG PRO 73 1HG PRO 73 -4.274 -7.898 2.493 600 2HG PRO 73 2HG PRO 73 -2.818 -8.680 3.131 601 1HD PRO 73 1HD PRO 73 -4.576 -9.513 0.885 602 2HD PRO 73 2HD PRO 73 -2.851 -9.853 1.173 603 H TYR 74 H TYR 74 -7.186 -10.516 4.626 604 HA TYR 74 HA TYR 74 -8.902 -10.115 2.357 605 1HB TYR 74 1HB TYR 74 -9.250 -12.462 3.104 606 2HB TYR 74 2HB TYR 74 -9.525 -11.844 4.739 607 HD1 TYR 74 HD1 TYR 74 -10.859 -10.973 1.341 608 HD2 TYR 74 HD2 TYR 74 -11.736 -11.951 5.390 609 HE1 TYR 74 HE1 TYR 74 -13.257 -10.677 0.890 610 HE2 TYR 74 HE2 TYR 74 -14.133 -11.661 4.947 611 HH TYR 74 HH TYR 74 -15.364 -11.431 1.811 612 H THR 75 H THR 75 -8.626 -7.957 2.931 613 HA THR 75 HA THR 75 -9.496 -7.344 5.581 614 HB THR 75 HB THR 75 -8.742 -4.974 4.947 615 HG1 THR 75 HG1 THR 75 -8.630 -5.937 2.572 616 1HG2 THR 75 1HG2 THR 75 -7.393 -6.443 6.375 617 2HG2 THR 75 2HG2 THR 75 -6.358 -5.508 5.295 618 3HG2 THR 75 3HG2 THR 75 -6.694 -7.202 4.945 619 H LYS 76 H LYS 76 -11.331 -6.163 5.917 620 HA LYS 76 HA LYS 76 -12.914 -5.680 3.496 621 1HB LYS 76 1HB LYS 76 -13.947 -6.161 6.296 622 2HB LYS 76 2HB LYS 76 -14.927 -5.933 4.863 623 1HG LYS 76 1HG LYS 76 -14.017 -8.002 3.903 624 2HG LYS 76 2HG LYS 76 -13.024 -8.225 5.340 625 1HD LYS 76 1HD LYS 76 -14.946 -9.628 5.563 626 2HD LYS 76 2HD LYS 76 -15.133 -8.285 6.688 627 1HE LYS 76 1HE LYS 76 -17.251 -8.719 5.584 628 2HE LYS 76 2HE LYS 76 -16.618 -7.170 5.052 629 1HZ LYS 76 1HZ LYS 76 -16.280 -9.686 3.498 630 2HZ LYS 76 2HZ LYS 76 -15.971 -8.101 2.978 631 3HZ LYS 76 3HZ LYS 76 -17.540 -8.603 3.275 632 HA PRO 77 HA PRO 77 -12.735 -1.429 5.080 633 1HB PRO 77 1HB PRO 77 -11.265 -0.398 3.047 634 2HB PRO 77 2HB PRO 77 -10.502 -1.235 4.398 635 1HG PRO 77 1HG PRO 77 -10.676 -2.067 1.620 636 2HG PRO 77 2HG PRO 77 -9.777 -2.827 2.940 637 1HD PRO 77 1HD PRO 77 -12.451 -3.495 1.859 638 2HD PRO 77 2HD PRO 77 -11.314 -4.509 2.778 639 H CYS 78 H CYS 78 -12.844 0.564 3.006 640 HA CYS 78 HA CYS 78 -15.275 -0.246 1.575 641 1HB CYS 78 1HB CYS 78 -15.401 1.675 3.256 642 2HB CYS 78 2HB CYS 78 -14.323 2.561 2.186 643 HG CYS 78 HG CYS 78 -16.448 1.945 0.080 644 H TYR 79 H TYR 79 -12.212 -0.368 1.025 645 HA TYR 79 HA TYR 79 -12.304 0.858 -1.642 646 1HB TYR 79 1HB TYR 79 -10.660 1.957 -0.072 647 2HB TYR 79 2HB TYR 79 -9.798 0.431 0.026 648 HD1 TYR 79 HD1 TYR 79 -8.352 -0.293 -1.811 649 HD2 TYR 79 HD2 TYR 79 -10.654 3.268 -2.126 650 HE1 TYR 79 HE1 TYR 79 -7.048 0.369 -3.792 651 HE2 TYR 79 HE2 TYR 79 -9.355 3.935 -4.094 652 HH TYR 79 HH TYR 79 -7.166 1.777 -5.666 653 H GLY 80 H GLY 80 -9.896 -1.441 -0.260 654 1HA GLY 80 1HA GLY 80 -10.943 -3.756 -1.404 655 2HA GLY 80 2HA GLY 80 -9.784 -3.023 -2.514 656 H THR 81 H THR 81 -8.754 -5.221 -1.889 657 HA THR 81 HA THR 81 -7.174 -4.866 0.545 658 HB THR 81 HB THR 81 -7.801 -7.442 -0.923 659 HG1 THR 81 HG1 THR 81 -9.558 -6.287 0.280 660 1HG2 THR 81 1HG2 THR 81 -6.556 -6.966 1.791 661 2HG2 THR 81 2HG2 THR 81 -5.700 -7.510 0.350 662 3HG2 THR 81 3HG2 THR 81 -6.925 -8.542 1.092 663 H ALA 82 H ALA 82 -4.965 -5.346 0.428 664 HA ALA 82 HA ALA 82 -3.846 -4.971 -2.269 665 1HB ALA 82 1HB ALA 82 -3.786 -2.979 -0.898 666 2HB ALA 82 2HB ALA 82 -2.167 -3.605 -1.219 667 3HB ALA 82 3HB ALA 82 -2.919 -3.865 0.353 668 H VAL 83 H VAL 83 -2.298 -6.360 -2.867 669 HA VAL 83 HA VAL 83 -0.824 -7.857 -0.832 670 HB VAL 83 HB VAL 83 -1.388 -8.652 -3.720 671 1HG1 VAL 83 1HG1 VAL 83 -0.511 -10.838 -3.105 672 2HG1 VAL 83 2HG1 VAL 83 -0.214 -10.261 -1.468 673 3HG1 VAL 83 3HG1 VAL 83 0.686 -9.573 -2.815 674 1HG2 VAL 83 1HG2 VAL 83 -2.699 -9.717 -1.222 675 2HG2 VAL 83 2HG2 VAL 83 -2.923 -10.353 -2.853 676 3HG2 VAL 83 3HG2 VAL 83 -3.470 -8.724 -2.459 677 H VAL 84 H VAL 84 1.119 -6.796 -0.691 678 HA VAL 84 HA VAL 84 2.266 -5.737 -3.170 679 HB VAL 84 HB VAL 84 3.619 -4.215 -1.826 680 1HG1 VAL 84 1HG1 VAL 84 1.918 -2.809 -0.815 681 2HG1 VAL 84 2HG1 VAL 84 0.765 -4.137 -0.950 682 3HG1 VAL 84 3HG1 VAL 84 1.457 -3.420 -2.404 683 1HG2 VAL 84 1HG2 VAL 84 4.042 -5.599 0.157 684 2HG2 VAL 84 2HG2 VAL 84 2.353 -5.435 0.635 685 3HG2 VAL 84 3HG2 VAL 84 3.405 -4.020 0.617 686 H GLU 85 H GLU 85 4.166 -6.850 -3.921 687 HA GLU 85 HA GLU 85 5.632 -8.396 -1.907 688 1HB GLU 85 1HB GLU 85 4.289 -10.023 -3.192 689 2HB GLU 85 2HB GLU 85 5.017 -9.438 -4.690 690 1HG GLU 85 1HG GLU 85 7.255 -10.071 -3.772 691 2HG GLU 85 2HG GLU 85 6.415 -10.777 -2.397 692 H LEU 86 H LEU 86 7.603 -7.738 -1.799 693 HA LEU 86 HA LEU 86 8.821 -6.394 -4.092 694 1HB LEU 86 1HB LEU 86 8.701 -5.334 -1.810 695 2HB LEU 86 2HB LEU 86 9.763 -6.597 -1.235 696 HG LEU 86 HG LEU 86 11.408 -5.769 -2.992 697 1HD1 LEU 86 1HD1 LEU 86 11.209 -3.437 -3.646 698 2HD1 LEU 86 2HD1 LEU 86 9.584 -3.394 -2.965 699 3HD1 LEU 86 3HD1 LEU 86 9.946 -4.454 -4.329 700 1HD2 LEU 86 1HD2 LEU 86 12.213 -3.969 -1.503 701 2HD2 LEU 86 2HD2 LEU 86 11.754 -5.425 -0.620 702 3HD2 LEU 86 3HD2 LEU 86 10.676 -4.031 -0.642 703 HA PRO 87 HA PRO 87 11.360 -10.138 -4.452 704 1HB PRO 87 1HB PRO 87 12.827 -9.438 -6.570 705 2HB PRO 87 2HB PRO 87 11.094 -9.755 -6.741 706 1HG PRO 87 1HG PRO 87 12.546 -7.154 -6.547 707 2HG PRO 87 2HG PRO 87 11.218 -7.615 -7.626 708 1HD PRO 87 1HD PRO 87 10.898 -6.171 -5.302 709 2HD PRO 87 2HD PRO 87 9.623 -7.157 -6.045 710 H VAL 88 H VAL 88 12.296 -7.163 -3.473 711 HA VAL 88 HA VAL 88 15.155 -7.736 -3.200 712 HB VAL 88 HB VAL 88 13.686 -5.258 -2.267 713 1HG1 VAL 88 1HG1 VAL 88 16.588 -5.675 -2.958 714 2HG1 VAL 88 2HG1 VAL 88 15.907 -5.529 -1.338 715 3HG1 VAL 88 3HG1 VAL 88 15.860 -4.154 -2.439 716 1HG2 VAL 88 1HG2 VAL 88 14.346 -4.139 -4.359 717 2HG2 VAL 88 2HG2 VAL 88 13.239 -5.482 -4.645 718 3HG2 VAL 88 3HG2 VAL 88 14.961 -5.675 -4.970 719 H ASP 89 H ASP 89 16.034 -7.516 -0.973 720 HA ASP 89 HA ASP 89 14.575 -9.110 0.835 721 1HB ASP 89 1HB ASP 89 17.015 -9.125 0.729 722 2HB ASP 89 2HB ASP 89 17.076 -7.458 1.270 723 HA PRO 90 HA PRO 90 11.983 -6.319 3.202 724 1HB PRO 90 1HB PRO 90 12.711 -7.361 5.752 725 2HB PRO 90 2HB PRO 90 11.275 -7.728 4.797 726 1HG PRO 90 1HG PRO 90 13.755 -9.266 5.114 727 2HG PRO 90 2HG PRO 90 12.149 -9.802 4.625 728 1HD PRO 90 1HD PRO 90 14.247 -9.618 2.914 729 2HD PRO 90 2HD PRO 90 12.559 -9.433 2.408 730 H GLU 91 H GLU 91 15.412 -6.410 3.687 731 HA GLU 91 HA GLU 91 15.788 -4.495 5.675 732 1HB GLU 91 1HB GLU 91 17.952 -3.986 4.579 733 2HB GLU 91 2HB GLU 91 17.685 -5.711 4.783 734 1HG GLU 91 1HG GLU 91 17.194 -5.993 2.499 735 2HG GLU 91 2HG GLU 91 17.112 -4.259 2.219 736 H GLU 92 H GLU 92 14.619 -4.136 2.457 737 HA GLU 92 HA GLU 92 15.105 -1.407 2.090 738 1HB GLU 92 1HB GLU 92 12.867 -3.122 1.052 739 2HB GLU 92 2HB GLU 92 13.031 -1.424 0.628 740 1HG GLU 92 1HG GLU 92 15.013 -3.613 0.077 741 2HG GLU 92 2HG GLU 92 13.976 -2.803 -1.097 742 H ILE 93 H ILE 93 12.807 -2.993 4.137 743 HA ILE 93 HA ILE 93 11.157 -0.718 4.499 744 HB ILE 93 HB ILE 93 11.463 -3.274 6.069 745 1HG1 ILE 93 1HG1 ILE 93 10.247 -3.386 3.971 746 2HG1 ILE 93 2HG1 ILE 93 9.158 -3.666 5.325 747 1HG2 ILE 93 1HG2 ILE 93 9.594 -2.629 7.528 748 2HG2 ILE 93 2HG2 ILE 93 9.606 -1.013 6.822 749 3HG2 ILE 93 3HG2 ILE 93 10.991 -1.574 7.756 750 1HD1 ILE 93 1HD1 ILE 93 8.051 -2.262 3.711 751 2HD1 ILE 93 2HD1 ILE 93 9.397 -1.143 3.683 752 3HD1 ILE 93 3HD1 ILE 93 8.411 -1.295 5.139 753 H GLU 94 H GLU 94 14.108 -1.796 5.987 754 HA GLU 94 HA GLU 94 14.134 -0.047 8.217 755 1HB GLU 94 1HB GLU 94 16.519 -0.917 6.570 756 2HB GLU 94 2HB GLU 94 16.519 -0.447 8.263 757 1HG GLU 94 1HG GLU 94 15.230 -2.903 7.109 758 2HG GLU 94 2HG GLU 94 16.752 -2.857 7.992 759 H ARG 95 H ARG 95 15.217 0.177 4.949 760 HA ARG 95 HA ARG 95 16.287 2.781 4.936 761 1HB ARG 95 1HB ARG 95 16.699 1.065 3.224 762 2HB ARG 95 2HB ARG 95 15.013 1.129 2.758 763 1HG ARG 95 1HG ARG 95 15.344 3.477 2.059 764 2HG ARG 95 2HG ARG 95 17.066 3.298 2.420 765 1HD ARG 95 1HD ARG 95 17.115 1.357 0.878 766 2HD ARG 95 2HD ARG 95 15.448 1.717 0.450 767 HE ARG 95 HE ARG 95 17.167 3.961 0.124 768 1HH1 ARG 95 1HH1 ARG 95 16.124 0.948 -1.468 769 2HH1 ARG 95 2HH1 ARG 95 16.499 1.508 -3.035 770 1HH2 ARG 95 1HH2 ARG 95 17.682 4.697 -2.062 771 2HH2 ARG 95 2HH2 ARG 95 17.383 3.655 -3.376 772 H ILE 96 H ILE 96 13.161 1.453 4.032 773 HA ILE 96 HA ILE 96 11.993 3.884 3.257 774 HB ILE 96 HB ILE 96 11.095 1.142 3.736 775 1HG1 ILE 96 1HG1 ILE 96 10.927 2.925 1.315 776 2HG1 ILE 96 2HG1 ILE 96 12.105 1.656 1.626 777 1HG2 ILE 96 1HG2 ILE 96 9.174 2.264 4.661 778 2HG2 ILE 96 2HG2 ILE 96 8.707 1.702 3.054 779 3HG2 ILE 96 3HG2 ILE 96 9.119 3.399 3.320 780 1HD1 ILE 96 1HD1 ILE 96 10.332 -0.022 1.484 781 2HD1 ILE 96 2HD1 ILE 96 10.420 0.946 0.011 782 3HD1 ILE 96 3HD1 ILE 96 9.149 1.253 1.195 783 H LEU 97 H LEU 97 12.289 2.372 6.383 784 HA LEU 97 HA LEU 97 10.206 3.773 7.629 785 1HB LEU 97 1HB LEU 97 11.404 1.859 8.646 786 2HB LEU 97 2HB LEU 97 12.833 2.855 8.809 787 HG LEU 97 HG LEU 97 11.582 4.335 10.362 788 1HD1 LEU 97 1HD1 LEU 97 9.436 2.232 10.144 789 2HD1 LEU 97 2HD1 LEU 97 9.320 3.911 9.611 790 3HD1 LEU 97 3HD1 LEU 97 9.478 3.541 11.324 791 1HD2 LEU 97 1HD2 LEU 97 13.023 2.575 11.230 792 2HD2 LEU 97 2HD2 LEU 97 11.695 1.420 11.128 793 3HD2 LEU 97 3HD2 LEU 97 11.601 2.768 12.257 794 H GLU 98 H GLU 98 13.547 4.599 6.977 795 HA GLU 98 HA GLU 98 13.333 7.165 8.331 796 1HB GLU 98 1HB GLU 98 15.417 5.707 8.237 797 2HB GLU 98 2HB GLU 98 15.532 6.162 6.552 798 1HG GLU 98 1HG GLU 98 17.009 7.512 7.961 799 2HG GLU 98 2HG GLU 98 15.799 8.488 7.129 800 H VAL 99 H VAL 99 13.555 5.885 5.105 801 HA VAL 99 HA VAL 99 13.589 8.428 3.765 802 HB VAL 99 HB VAL 99 13.460 5.554 2.783 803 1HG1 VAL 99 1HG1 VAL 99 14.173 6.401 0.563 804 2HG1 VAL 99 2HG1 VAL 99 14.041 8.058 1.153 805 3HG1 VAL 99 3HG1 VAL 99 12.596 7.059 1.006 806 1HG2 VAL 99 1HG2 VAL 99 15.745 7.503 2.944 807 2HG2 VAL 99 2HG2 VAL 99 15.827 5.894 2.223 808 3HG2 VAL 99 3HG2 VAL 99 15.495 6.073 3.945 809 H ALA 100 H ALA 100 11.131 6.931 5.255 810 HA ALA 100 HA ALA 100 9.013 6.484 3.598 811 1HB ALA 100 1HB ALA 100 8.799 7.780 6.280 812 2HB ALA 100 2HB ALA 100 9.052 6.053 5.966 813 3HB ALA 100 3HB ALA 100 7.560 6.836 5.429 814 H GLU 101 H GLU 101 9.820 9.686 4.886 815 HA GLU 101 HA GLU 101 7.594 10.750 3.377 816 1HB GLU 101 1HB GLU 101 9.382 12.162 5.362 817 2HB GLU 101 2HB GLU 101 8.027 12.899 4.525 818 1HG GLU 101 1HG GLU 101 6.526 11.225 5.608 819 2HG GLU 101 2HG GLU 101 7.911 10.648 6.527 820 HA PRO 102 HA PRO 102 10.869 12.855 1.031 821 1HB PRO 102 1HB PRO 102 13.499 12.432 1.306 822 2HB PRO 102 2HB PRO 102 12.589 13.556 2.345 823 1HG PRO 102 1HG PRO 102 13.549 10.791 2.935 824 2HG PRO 102 2HG PRO 102 13.487 12.208 3.999 825 1HD PRO 102 1HD PRO 102 11.602 10.160 3.924 826 2HD PRO 102 2HD PRO 102 11.347 11.772 4.617 Start of MODEL 16 1 H HIS 1 H HIS 1 4.834 8.724 -10.974 2 HA HIS 1 HA HIS 1 1.916 8.577 -11.353 3 1HB HIS 1 1HB HIS 1 3.875 6.565 -10.163 4 2HB HIS 1 2HB HIS 1 2.155 6.333 -10.407 5 HD1 HIS 1 HD1 HIS 1 1.486 5.210 -12.615 6 HD2 HIS 1 HD2 HIS 1 5.400 6.621 -12.614 7 HE1 HIS 1 HE1 HIS 1 2.550 4.319 -14.701 8 H MET 2 H MET 2 0.887 9.482 -9.595 9 HA MET 2 HA MET 2 2.116 9.271 -6.992 10 1HB MET 2 1HB MET 2 1.359 12.016 -8.068 11 2HB MET 2 2HB MET 2 1.842 11.645 -6.435 12 1HG MET 2 1HG MET 2 3.702 12.691 -7.386 13 2HG MET 2 2HG MET 2 4.092 10.974 -7.407 14 1HE MET 2 1HE MET 2 2.882 14.051 -9.544 15 2HE MET 2 2HE MET 2 1.641 12.856 -9.935 16 3HE MET 2 3HE MET 2 2.795 13.364 -11.162 17 H THR 3 H THR 3 0.539 8.960 -5.504 18 HA THR 3 HA THR 3 -2.151 9.925 -6.137 19 HB THR 3 HB THR 3 -1.449 7.273 -4.830 20 HG1 THR 3 HG1 THR 3 -1.495 7.859 -7.292 21 1HG2 THR 3 1HG2 THR 3 -4.153 8.472 -5.488 22 2HG2 THR 3 2HG2 THR 3 -3.486 8.273 -3.866 23 3HG2 THR 3 3HG2 THR 3 -3.873 6.854 -4.839 24 H PHE 4 H PHE 4 -2.636 11.456 -4.736 25 HA PHE 4 HA PHE 4 -1.877 11.058 -1.922 26 1HB PHE 4 1HB PHE 4 -2.081 13.684 -3.396 27 2HB PHE 4 2HB PHE 4 -1.717 13.496 -1.677 28 HD1 PHE 4 HD1 PHE 4 0.371 12.223 -1.067 29 HD2 PHE 4 HD2 PHE 4 -0.400 13.661 -4.985 30 HE1 PHE 4 HE1 PHE 4 2.756 12.011 -1.615 31 HE2 PHE 4 HE2 PHE 4 1.982 13.454 -5.532 32 HZ PHE 4 HZ PHE 4 3.557 12.593 -3.831 33 H CYS 5 H CYS 5 -4.390 11.196 -4.051 34 HA CYS 5 HA CYS 5 -6.271 12.685 -2.503 35 1HB CYS 5 1HB CYS 5 -6.752 10.719 -4.743 36 2HB CYS 5 2HB CYS 5 -7.872 11.942 -4.155 37 HG CYS 5 HG CYS 5 -6.361 14.096 -5.033 38 H LEU 6 H LEU 6 -6.292 11.680 -0.409 39 HA LEU 6 HA LEU 6 -6.726 8.905 -0.314 40 1HB LEU 6 1HB LEU 6 -6.763 9.169 2.182 41 2HB LEU 6 2HB LEU 6 -5.275 9.549 1.383 42 HG LEU 6 HG LEU 6 -5.509 10.924 3.193 43 1HD1 LEU 6 1HD1 LEU 6 -5.498 13.200 2.433 44 2HD1 LEU 6 2HD1 LEU 6 -6.206 12.697 0.912 45 3HD1 LEU 6 3HD1 LEU 6 -4.595 12.122 1.364 46 1HD2 LEU 6 1HD2 LEU 6 -7.400 12.461 3.665 47 2HD2 LEU 6 2HD2 LEU 6 -7.821 10.752 3.758 48 3HD2 LEU 6 3HD2 LEU 6 -8.291 11.696 2.349 49 H GLU 7 H GLU 7 -8.768 11.676 0.545 50 HA GLU 7 HA GLU 7 -10.732 9.828 1.314 51 1HB GLU 7 1HB GLU 7 -10.567 11.938 2.465 52 2HB GLU 7 2HB GLU 7 -10.953 12.833 1.028 53 1HG GLU 7 1HG GLU 7 -13.059 10.959 1.532 54 2HG GLU 7 2HG GLU 7 -12.691 11.808 3.029 55 H THR 8 H THR 8 -9.737 10.821 -1.623 56 HA THR 8 HA THR 8 -12.171 10.966 -3.058 57 HB THR 8 HB THR 8 -9.393 10.236 -4.035 58 HG1 THR 8 HG1 THR 8 -9.957 12.647 -4.772 59 1HG2 THR 8 1HG2 THR 8 -11.170 9.629 -5.638 60 2HG2 THR 8 2HG2 THR 8 -10.197 10.966 -6.243 61 3HG2 THR 8 3HG2 THR 8 -11.796 11.275 -5.565 62 H TYR 9 H TYR 9 -10.193 8.370 -1.794 63 HA TYR 9 HA TYR 9 -11.330 6.479 -3.547 64 1HB TYR 9 1HB TYR 9 -9.411 6.262 -1.274 65 2HB TYR 9 2HB TYR 9 -10.167 4.814 -1.948 66 HD1 TYR 9 HD1 TYR 9 -9.931 4.354 -4.403 67 HD2 TYR 9 HD2 TYR 9 -7.623 7.320 -2.427 68 HE1 TYR 9 HE1 TYR 9 -8.368 4.374 -6.292 69 HE2 TYR 9 HE2 TYR 9 -6.047 7.352 -4.315 70 HH TYR 9 HH TYR 9 -5.337 5.819 -6.119 71 H LEU 10 H LEU 10 -12.219 7.816 -0.560 72 HA LEU 10 HA LEU 10 -14.004 5.760 0.232 73 1HB LEU 10 1HB LEU 10 -13.185 7.772 1.638 74 2HB LEU 10 2HB LEU 10 -14.334 8.738 0.750 75 HG LEU 10 HG LEU 10 -15.036 6.460 2.634 76 1HD1 LEU 10 1HD1 LEU 10 -15.272 9.435 2.982 77 2HD1 LEU 10 2HD1 LEU 10 -14.152 8.359 3.819 78 3HD1 LEU 10 3HD1 LEU 10 -15.888 8.215 4.096 79 1HD2 LEU 10 1HD2 LEU 10 -16.863 8.460 1.291 80 2HD2 LEU 10 2HD2 LEU 10 -17.349 7.243 2.472 81 3HD2 LEU 10 3HD2 LEU 10 -16.751 6.747 0.888 82 H GLN 11 H GLN 11 -14.098 8.594 -1.792 83 HA GLN 11 HA GLN 11 -16.867 8.622 -2.382 84 1HB GLN 11 1HB GLN 11 -14.548 9.790 -3.929 85 2HB GLN 11 2HB GLN 11 -16.239 10.182 -4.185 86 1HG GLN 11 1HG GLN 11 -14.606 10.769 -1.716 87 2HG GLN 11 2HG GLN 11 -15.130 11.935 -2.927 88 1HE2 GLN 11 1HE2 GLN 11 -15.622 11.898 -0.085 89 2HE2 GLN 11 2HE2 GLN 11 -17.335 11.870 0.129 90 H GLN 12 H GLN 12 -14.164 6.866 -3.541 91 HA GLN 12 HA GLN 12 -15.639 6.019 -5.872 92 1HB GLN 12 1HB GLN 12 -12.745 5.551 -5.176 93 2HB GLN 12 2HB GLN 12 -13.522 4.982 -6.647 94 1HG GLN 12 1HG GLN 12 -13.168 7.852 -5.810 95 2HG GLN 12 2HG GLN 12 -12.262 7.011 -7.065 96 1HE2 GLN 12 1HE2 GLN 12 -14.645 5.616 -8.095 97 2HE2 GLN 12 2HE2 GLN 12 -15.538 6.811 -8.941 98 H SER 13 H SER 13 -15.580 5.100 -2.815 99 HA SER 13 HA SER 13 -16.214 3.303 -1.685 100 1HB SER 13 1HB SER 13 -16.942 2.191 -4.402 101 2HB SER 13 2HB SER 13 -17.525 1.584 -2.850 102 HG SER 13 HG SER 13 -18.945 3.073 -2.837 103 H GLY 14 H GLY 14 -13.462 3.485 -2.544 104 1HA GLY 14 1HA GLY 14 -12.712 0.690 -2.248 105 2HA GLY 14 2HA GLY 14 -12.083 1.573 -3.640 106 H GLU 15 H GLU 15 -12.461 1.902 -0.178 107 HA GLU 15 HA GLU 15 -10.460 3.858 0.121 108 1HB GLU 15 1HB GLU 15 -11.729 1.998 2.119 109 2HB GLU 15 2HB GLU 15 -10.742 3.396 2.529 110 1HG GLU 15 1HG GLU 15 -12.334 4.901 1.714 111 2HG GLU 15 2HG GLU 15 -13.193 3.640 0.830 112 H TYR 16 H TYR 16 -8.388 3.679 0.873 113 HA TYR 16 HA TYR 16 -7.169 1.054 1.345 114 1HB TYR 16 1HB TYR 16 -7.058 1.653 -1.125 115 2HB TYR 16 2HB TYR 16 -6.174 3.095 -0.684 116 HD1 TYR 16 HD1 TYR 16 -5.912 -0.606 -0.080 117 HD2 TYR 16 HD2 TYR 16 -3.906 3.007 -1.086 118 HE1 TYR 16 HE1 TYR 16 -3.828 -1.864 -0.440 119 HE2 TYR 16 HE2 TYR 16 -1.812 1.765 -1.435 120 HH TYR 16 HH TYR 16 -0.749 -0.278 -0.990 121 H GLU 17 H GLU 17 -7.989 3.355 2.885 122 HA GLU 17 HA GLU 17 -5.527 3.958 4.205 123 1HB GLU 17 1HB GLU 17 -6.043 6.357 4.322 124 2HB GLU 17 2HB GLU 17 -5.347 5.784 2.818 125 1HG GLU 17 1HG GLU 17 -8.302 6.135 3.181 126 2HG GLU 17 2HG GLU 17 -7.309 7.541 2.852 127 H ILE 18 H ILE 18 -5.901 5.445 6.073 128 HA ILE 18 HA ILE 18 -8.385 4.710 6.964 129 HB ILE 18 HB ILE 18 -6.559 3.918 8.367 130 1HG1 ILE 18 1HG1 ILE 18 -8.413 5.778 9.882 131 2HG1 ILE 18 2HG1 ILE 18 -8.718 4.101 9.472 132 1HG2 ILE 18 1HG2 ILE 18 -4.942 5.610 8.237 133 2HG2 ILE 18 2HG2 ILE 18 -5.376 5.477 9.941 134 3HG2 ILE 18 3HG2 ILE 18 -6.013 6.804 8.966 135 1HD1 ILE 18 1HD1 ILE 18 -8.154 4.364 11.822 136 2HD1 ILE 18 2HD1 ILE 18 -6.614 5.098 11.379 137 3HD1 ILE 18 3HD1 ILE 18 -6.923 3.408 11.000 138 H HIS 19 H HIS 19 -7.552 7.053 5.402 139 HA HIS 19 HA HIS 19 -8.031 9.208 4.971 140 1HB HIS 19 1HB HIS 19 -10.010 8.849 7.226 141 2HB HIS 19 2HB HIS 19 -9.883 10.335 6.286 142 HD1 HIS 19 HD1 HIS 19 -11.216 6.868 6.117 143 HD2 HIS 19 HD2 HIS 19 -10.580 10.096 3.594 144 HE1 HIS 19 HE1 HIS 19 -12.508 6.382 4.012 145 H MET 20 H MET 20 -5.914 9.310 5.589 146 HA MET 20 HA MET 20 -5.458 11.427 7.514 147 1HB MET 20 1HB MET 20 -5.020 8.723 8.077 148 2HB MET 20 2HB MET 20 -3.442 9.319 7.597 149 1HG MET 20 1HG MET 20 -5.168 10.544 9.693 150 2HG MET 20 2HG MET 20 -3.929 9.328 10.012 151 1HE MET 20 1HE MET 20 -1.543 10.092 8.123 152 2HE MET 20 2HE MET 20 -1.340 9.744 9.837 153 3HE MET 20 3HE MET 20 -0.609 11.187 9.137 154 H LYS 21 H LYS 21 -2.643 11.490 7.072 155 HA LYS 21 HA LYS 21 -2.642 12.423 4.351 156 1HB LYS 21 1HB LYS 21 -1.473 13.647 6.127 157 2HB LYS 21 2HB LYS 21 -0.443 12.263 6.412 158 1HG LYS 21 1HG LYS 21 0.566 12.531 4.219 159 2HG LYS 21 2HG LYS 21 -0.503 13.899 3.884 160 1HD LYS 21 1HD LYS 21 0.440 15.161 5.679 161 2HD LYS 21 2HD LYS 21 1.378 13.773 6.225 162 1HE LYS 21 1HE LYS 21 2.845 15.257 5.064 163 2HE LYS 21 2HE LYS 21 2.592 13.843 4.058 164 1HZ LYS 21 1HZ LYS 21 0.941 15.158 2.794 165 2HZ LYS 21 2HZ LYS 21 2.521 15.723 2.735 166 3HZ LYS 21 3HZ LYS 21 1.386 16.527 3.707 167 H ARG 22 H ARG 22 -2.379 11.105 2.668 168 HA ARG 22 HA ARG 22 -0.754 8.680 3.013 169 1HB ARG 22 1HB ARG 22 -2.133 7.629 1.314 170 2HB ARG 22 2HB ARG 22 -3.224 8.554 2.299 171 1HG ARG 22 1HG ARG 22 -3.491 10.194 0.649 172 2HG ARG 22 2HG ARG 22 -2.088 9.613 -0.243 173 1HD ARG 22 1HD ARG 22 -4.636 8.048 0.180 174 2HD ARG 22 2HD ARG 22 -4.171 8.894 -1.299 175 HE ARG 22 HE ARG 22 -2.070 7.272 -0.910 176 1HH1 ARG 22 1HH1 ARG 22 -5.524 6.371 -0.614 177 2HH1 ARG 22 2HH1 ARG 22 -5.304 4.894 -1.365 178 1HH2 ARG 22 1HH2 ARG 22 -1.792 5.325 -1.811 179 2HH2 ARG 22 2HH2 ARG 22 -3.078 4.240 -2.162 180 H ALA 23 H ALA 23 0.588 8.097 1.069 181 HA ALA 23 HA ALA 23 1.047 10.189 -0.885 182 1HB ALA 23 1HB ALA 23 3.226 9.649 1.120 183 2HB ALA 23 2HB ALA 23 2.313 11.150 0.952 184 3HB ALA 23 3HB ALA 23 3.407 10.624 -0.329 185 H GLY 24 H GLY 24 0.719 8.624 -2.434 186 1HA GLY 24 1HA GLY 24 2.570 6.357 -2.433 187 2HA GLY 24 2HA GLY 24 0.996 6.380 -3.207 188 H PHE 25 H PHE 25 4.267 7.244 -3.348 189 HA PHE 25 HA PHE 25 4.122 8.584 -5.885 190 1HB PHE 25 1HB PHE 25 6.500 7.424 -4.418 191 2HB PHE 25 2HB PHE 25 6.574 8.525 -5.784 192 HD1 PHE 25 HD1 PHE 25 6.035 10.893 -5.492 193 HD2 PHE 25 HD2 PHE 25 5.975 8.190 -2.210 194 HE1 PHE 25 HE1 PHE 25 6.058 12.794 -3.918 195 HE2 PHE 25 HE2 PHE 25 5.994 10.074 -0.644 196 HZ PHE 25 HZ PHE 25 6.036 12.384 -1.498 197 H ARG 26 H ARG 26 5.779 5.647 -4.871 198 HA ARG 26 HA ARG 26 5.880 4.719 -7.604 199 1HB ARG 26 1HB ARG 26 6.867 3.619 -5.012 200 2HB ARG 26 2HB ARG 26 6.980 2.730 -6.517 201 1HG ARG 26 1HG ARG 26 8.099 5.476 -6.192 202 2HG ARG 26 2HG ARG 26 9.012 4.005 -5.813 203 1HD ARG 26 1HD ARG 26 8.718 3.195 -8.007 204 2HD ARG 26 2HD ARG 26 7.669 4.541 -8.449 205 HE ARG 26 HE ARG 26 9.935 5.725 -7.672 206 1HH1 ARG 26 1HH1 ARG 26 9.294 3.079 -9.913 207 2HH1 ARG 26 2HH1 ARG 26 10.546 3.491 -10.994 208 1HH2 ARG 26 1HH2 ARG 26 11.641 6.301 -9.120 209 2HH2 ARG 26 2HH2 ARG 26 11.932 5.371 -10.513 210 H GLU 27 H GLU 27 4.117 3.999 -4.725 211 HA GLU 27 HA GLU 27 3.137 1.563 -5.849 212 1HB GLU 27 1HB GLU 27 3.623 2.052 -3.388 213 2HB GLU 27 2HB GLU 27 2.046 2.838 -3.417 214 1HG GLU 27 1HG GLU 27 0.964 0.827 -4.002 215 2HG GLU 27 2HG GLU 27 2.510 0.002 -4.220 216 H CYS 28 H CYS 28 2.301 4.796 -6.268 217 HA CYS 28 HA CYS 28 -0.401 4.965 -6.500 218 1HB CYS 28 1HB CYS 28 0.988 6.825 -7.094 219 2HB CYS 28 2HB CYS 28 1.788 5.912 -8.358 220 HG CYS 28 HG CYS 28 -1.374 5.953 -9.102 221 H ALA 29 H ALA 29 1.856 3.504 -8.795 222 HA ALA 29 HA ALA 29 -0.143 2.729 -10.681 223 1HB ALA 29 1HB ALA 29 2.193 3.131 -11.327 224 2HB ALA 29 2HB ALA 29 1.638 1.530 -11.811 225 3HB ALA 29 3HB ALA 29 2.674 1.714 -10.396 226 H ALA 30 H ALA 30 1.495 1.073 -8.109 227 HA ALA 30 HA ALA 30 0.637 -1.518 -8.535 228 1HB ALA 30 1HB ALA 30 1.187 -1.892 -6.251 229 2HB ALA 30 2HB ALA 30 1.105 -0.163 -5.920 230 3HB ALA 30 3HB ALA 30 2.371 -0.800 -6.968 231 H MET 31 H MET 31 -0.804 1.041 -6.595 232 HA MET 31 HA MET 31 -2.828 -0.607 -5.505 233 1HB MET 31 1HB MET 31 -3.936 1.338 -4.694 234 2HB MET 31 2HB MET 31 -2.210 1.524 -4.448 235 1HG MET 31 1HG MET 31 -2.090 3.037 -6.344 236 2HG MET 31 2HG MET 31 -3.806 2.814 -6.658 237 1HE MET 31 1HE MET 31 -4.821 2.668 -3.493 238 2HE MET 31 2HE MET 31 -5.691 3.405 -4.836 239 3HE MET 31 3HE MET 31 -5.381 4.335 -3.371 240 H ILE 32 H ILE 32 -2.748 1.219 -8.435 241 HA ILE 32 HA ILE 32 -5.467 1.123 -9.083 242 HB ILE 32 HB ILE 32 -3.030 1.042 -10.865 243 1HG1 ILE 32 1HG1 ILE 32 -4.751 3.379 -10.001 244 2HG1 ILE 32 2HG1 ILE 32 -3.162 2.993 -9.352 245 1HG2 ILE 32 1HG2 ILE 32 -5.052 0.296 -12.069 246 2HG2 ILE 32 2HG2 ILE 32 -4.494 1.856 -12.658 247 3HG2 ILE 32 3HG2 ILE 32 -5.890 1.773 -11.578 248 1HD1 ILE 32 1HD1 ILE 32 -2.188 3.374 -11.564 249 2HD1 ILE 32 2HD1 ILE 32 -3.031 4.798 -10.954 250 3HD1 ILE 32 3HD1 ILE 32 -3.788 3.783 -12.182 251 H GLU 33 H GLU 33 -2.839 -1.153 -9.603 252 HA GLU 33 HA GLU 33 -4.456 -2.949 -11.115 253 1HB GLU 33 1HB GLU 33 -1.712 -3.287 -9.929 254 2HB GLU 33 2HB GLU 33 -2.460 -4.359 -11.114 255 1HG GLU 33 1HG GLU 33 -2.536 -2.510 -12.713 256 2HG GLU 33 2HG GLU 33 -1.760 -1.468 -11.525 257 H LYS 34 H LYS 34 -3.364 -2.656 -7.793 258 HA LYS 34 HA LYS 34 -3.960 -5.191 -6.811 259 1HB LYS 34 1HB LYS 34 -3.898 -2.496 -5.516 260 2HB LYS 34 2HB LYS 34 -4.344 -3.922 -4.597 261 1HG LYS 34 1HG LYS 34 -2.277 -4.852 -4.762 262 2HG LYS 34 2HG LYS 34 -1.758 -3.859 -6.131 263 1HD LYS 34 1HD LYS 34 -1.797 -1.895 -4.630 264 2HD LYS 34 2HD LYS 34 -2.275 -2.964 -3.298 265 1HE LYS 34 1HE LYS 34 -0.132 -4.130 -3.566 266 2HE LYS 34 2HE LYS 34 0.303 -3.003 -4.850 267 1HZ LYS 34 1HZ LYS 34 1.190 -2.358 -2.598 268 2HZ LYS 34 2HZ LYS 34 -0.397 -2.074 -2.094 269 3HZ LYS 34 3HZ LYS 34 0.243 -1.180 -3.275 270 H LYS 35 H LYS 35 -6.053 -2.625 -7.662 271 HA LYS 35 HA LYS 35 -8.327 -3.267 -6.141 272 1HB LYS 35 1HB LYS 35 -8.049 -1.122 -7.254 273 2HB LYS 35 2HB LYS 35 -8.073 -1.907 -8.825 274 1HG LYS 35 1HG LYS 35 -10.391 -2.627 -8.381 275 2HG LYS 35 2HG LYS 35 -10.346 -1.725 -6.867 276 1HD LYS 35 1HD LYS 35 -10.001 0.340 -8.066 277 2HD LYS 35 2HD LYS 35 -9.908 -0.535 -9.600 278 1HE LYS 35 1HE LYS 35 -12.182 -1.328 -9.283 279 2HE LYS 35 2HE LYS 35 -12.290 -0.438 -7.768 280 1HZ LYS 35 1HZ LYS 35 -11.868 0.775 -10.450 281 2HZ LYS 35 2HZ LYS 35 -12.002 1.618 -8.994 282 3HZ LYS 35 3HZ LYS 35 -13.314 0.758 -9.586 283 H ALA 36 H ALA 36 -6.921 -4.798 -8.909 284 HA ALA 36 HA ALA 36 -9.252 -5.888 -10.044 285 1HB ALA 36 1HB ALA 36 -7.742 -7.363 -11.275 286 2HB ALA 36 2HB ALA 36 -6.423 -6.928 -10.189 287 3HB ALA 36 3HB ALA 36 -7.125 -5.713 -11.253 288 H ARG 37 H ARG 37 -6.902 -7.146 -7.741 289 HA ARG 37 HA ARG 37 -8.727 -8.578 -6.197 290 1HB ARG 37 1HB ARG 37 -8.508 -10.096 -8.364 291 2HB ARG 37 2HB ARG 37 -6.949 -10.519 -7.680 292 1HG ARG 37 1HG ARG 37 -9.652 -10.985 -6.387 293 2HG ARG 37 2HG ARG 37 -8.624 -12.208 -7.118 294 1HD ARG 37 1HD ARG 37 -6.926 -11.796 -5.387 295 2HD ARG 37 2HD ARG 37 -7.958 -10.561 -4.671 296 HE ARG 37 HE ARG 37 -9.177 -13.139 -4.935 297 1HH1 ARG 37 1HH1 ARG 37 -7.426 -10.954 -2.705 298 2HH1 ARG 37 2HH1 ARG 37 -7.707 -11.902 -1.347 299 1HH2 ARG 37 1HH2 ARG 37 -9.556 -14.408 -3.117 300 2HH2 ARG 37 2HH2 ARG 37 -8.935 -14.055 -1.576 301 H ARG 38 H ARG 38 -5.453 -9.347 -7.360 302 HA ARG 38 HA ARG 38 -4.335 -8.168 -5.011 303 1HB ARG 38 1HB ARG 38 -3.056 -10.178 -4.291 304 2HB ARG 38 2HB ARG 38 -4.780 -10.443 -4.163 305 1HG ARG 38 1HG ARG 38 -4.796 -11.878 -6.042 306 2HG ARG 38 2HG ARG 38 -3.116 -11.482 -6.431 307 1HD ARG 38 1HD ARG 38 -2.346 -12.493 -4.392 308 2HD ARG 38 2HD ARG 38 -3.995 -12.735 -3.834 309 HE ARG 38 HE ARG 38 -4.178 -14.242 -5.852 310 1HH1 ARG 38 1HH1 ARG 38 -1.013 -13.779 -4.267 311 2HH1 ARG 38 2HH1 ARG 38 -0.523 -15.376 -4.490 312 1HH2 ARG 38 1HH2 ARG 38 -3.484 -16.452 -6.120 313 2HH2 ARG 38 2HH2 ARG 38 -1.950 -16.943 -5.547 314 H VAL 39 H VAL 39 -2.517 -7.128 -5.656 315 HA VAL 39 HA VAL 39 -1.041 -8.322 -7.860 316 HB VAL 39 HB VAL 39 -2.096 -5.480 -7.860 317 1HG1 VAL 39 1HG1 VAL 39 -0.765 -5.121 -9.943 318 2HG1 VAL 39 2HG1 VAL 39 -0.006 -6.693 -9.695 319 3HG1 VAL 39 3HG1 VAL 39 0.263 -5.395 -8.538 320 1HG2 VAL 39 1HG2 VAL 39 -3.592 -7.161 -8.800 321 2HG2 VAL 39 2HG2 VAL 39 -2.318 -7.707 -9.889 322 3HG2 VAL 39 3HG2 VAL 39 -2.995 -6.090 -10.063 323 H VAL 40 H VAL 40 1.069 -8.000 -7.845 324 HA VAL 40 HA VAL 40 2.123 -6.549 -5.580 325 HB VAL 40 HB VAL 40 2.736 -8.918 -5.416 326 1HG1 VAL 40 1HG1 VAL 40 2.372 -9.654 -7.643 327 2HG1 VAL 40 2HG1 VAL 40 4.021 -10.072 -7.172 328 3HG1 VAL 40 3HG1 VAL 40 3.720 -8.691 -8.232 329 1HG2 VAL 40 1HG2 VAL 40 4.524 -7.408 -4.756 330 2HG2 VAL 40 2HG2 VAL 40 5.097 -7.329 -6.420 331 3HG2 VAL 40 3HG2 VAL 40 5.204 -8.844 -5.529 332 H HIS 41 H HIS 41 3.888 -5.131 -5.998 333 HA HIS 41 HA HIS 41 4.425 -4.555 -8.802 334 1HB HIS 41 1HB HIS 41 2.618 -3.086 -7.879 335 2HB HIS 41 2HB HIS 41 3.733 -2.556 -6.640 336 HD1 HIS 41 HD1 HIS 41 2.912 -2.068 -10.318 337 HD2 HIS 41 HD2 HIS 41 5.369 -0.430 -7.382 338 HE1 HIS 41 HE1 HIS 41 3.907 -0.003 -11.297 339 H ILE 42 H ILE 42 6.553 -4.285 -9.076 340 HA ILE 42 HA ILE 42 8.243 -4.474 -6.744 341 HB ILE 42 HB ILE 42 8.774 -5.861 -8.754 342 1HG1 ILE 42 1HG1 ILE 42 10.936 -3.824 -8.149 343 2HG1 ILE 42 2HG1 ILE 42 10.577 -5.241 -7.174 344 1HG2 ILE 42 1HG2 ILE 42 9.364 -3.239 -10.113 345 2HG2 ILE 42 2HG2 ILE 42 8.059 -4.360 -10.508 346 3HG2 ILE 42 3HG2 ILE 42 9.737 -4.835 -10.765 347 1HD1 ILE 42 1HD1 ILE 42 11.213 -6.680 -9.052 348 2HD1 ILE 42 2HD1 ILE 42 12.527 -5.605 -8.573 349 3HD1 ILE 42 3HD1 ILE 42 11.579 -5.250 -10.015 350 H LYS 43 H LYS 43 9.637 -2.933 -6.056 351 HA LYS 43 HA LYS 43 10.432 -0.873 -5.574 352 1HB LYS 43 1HB LYS 43 9.669 -0.156 -8.420 353 2HB LYS 43 2HB LYS 43 10.500 0.928 -7.327 354 1HG LYS 43 1HG LYS 43 12.398 -0.619 -7.278 355 2HG LYS 43 2HG LYS 43 11.541 -1.679 -8.403 356 1HD LYS 43 1HD LYS 43 11.493 0.057 -10.080 357 2HD LYS 43 2HD LYS 43 12.217 1.205 -8.956 358 1HE LYS 43 1HE LYS 43 14.240 -0.197 -8.874 359 2HE LYS 43 2HE LYS 43 13.486 -1.301 -10.026 360 1HZ LYS 43 1HZ LYS 43 13.455 0.444 -11.664 361 2HZ LYS 43 2HZ LYS 43 15.014 0.219 -11.109 362 3HZ LYS 43 3HZ LYS 43 14.128 1.546 -10.564 363 HA PRO 44 HA PRO 44 6.121 0.646 -4.936 364 1HB PRO 44 1HB PRO 44 5.750 0.027 -2.347 365 2HB PRO 44 2HB PRO 44 5.501 -1.175 -3.624 366 1HG PRO 44 1HG PRO 44 7.926 -0.733 -1.911 367 2HG PRO 44 2HG PRO 44 7.094 -2.259 -2.243 368 1HD PRO 44 1HD PRO 44 9.300 -1.536 -3.597 369 2HD PRO 44 2HD PRO 44 7.975 -2.427 -4.364 370 H GLY 45 H GLY 45 5.439 2.359 -3.218 371 1HA GLY 45 1HA GLY 45 7.395 3.586 -1.621 372 2HA GLY 45 2HA GLY 45 7.315 4.411 -3.168 373 H GLU 46 H GLU 46 4.835 2.945 -1.100 374 HA GLU 46 HA GLU 46 3.588 5.582 -0.907 375 1HB GLU 46 1HB GLU 46 2.124 4.384 -2.211 376 2HB GLU 46 2HB GLU 46 2.417 2.867 -1.408 377 1HG GLU 46 1HG GLU 46 0.183 3.517 -0.916 378 2HG GLU 46 2HG GLU 46 1.111 3.797 0.548 379 H LYS 47 H LYS 47 2.701 6.104 1.013 380 HA LYS 47 HA LYS 47 3.161 4.416 3.283 381 1HB LYS 47 1HB LYS 47 4.232 7.248 3.263 382 2HB LYS 47 2HB LYS 47 4.173 6.155 4.622 383 1HG LYS 47 1HG LYS 47 6.105 5.332 4.108 384 2HG LYS 47 2HG LYS 47 5.486 4.818 2.540 385 1HD LYS 47 1HD LYS 47 6.451 7.543 3.165 386 2HD LYS 47 2HD LYS 47 7.497 6.279 2.456 387 1HE LYS 47 1HE LYS 47 6.850 7.500 0.583 388 2HE LYS 47 2HE LYS 47 5.543 6.318 0.668 389 1HZ LYS 47 1HZ LYS 47 4.175 7.946 1.803 390 2HZ LYS 47 2HZ LYS 47 4.705 8.532 0.339 391 3HZ LYS 47 3HZ LYS 47 5.460 9.048 1.789 392 H ILE 48 H ILE 48 1.296 4.322 3.015 393 HA ILE 48 HA ILE 48 -0.543 6.470 3.000 394 HB ILE 48 HB ILE 48 -2.300 4.750 3.643 395 1HG1 ILE 48 1HG1 ILE 48 -0.103 2.806 2.913 396 2HG1 ILE 48 2HG1 ILE 48 -0.820 3.021 4.504 397 1HG2 ILE 48 1HG2 ILE 48 -2.312 5.609 1.506 398 2HG2 ILE 48 2HG2 ILE 48 -2.537 3.864 1.388 399 3HG2 ILE 48 3HG2 ILE 48 -0.971 4.580 1.008 400 1HD1 ILE 48 1HD1 ILE 48 -2.243 2.018 2.043 401 2HD1 ILE 48 2HD1 ILE 48 -2.961 2.207 3.642 402 3HD1 ILE 48 3HD1 ILE 48 -1.679 1.027 3.386 403 H LEU 49 H LEU 49 -0.654 7.717 4.616 404 HA LEU 49 HA LEU 49 -1.153 8.608 6.562 405 1HB LEU 49 1HB LEU 49 -2.040 5.981 7.700 406 2HB LEU 49 2HB LEU 49 -2.638 7.563 8.091 407 HG LEU 49 HG LEU 49 -4.423 6.864 6.923 408 1HD1 LEU 49 1HD1 LEU 49 -3.792 8.647 5.558 409 2HD1 LEU 49 2HD1 LEU 49 -4.492 7.386 4.545 410 3HD1 LEU 49 3HD1 LEU 49 -2.750 7.610 4.595 411 1HD2 LEU 49 1HD2 LEU 49 -4.331 5.107 5.137 412 2HD2 LEU 49 2HD2 LEU 49 -3.851 4.602 6.755 413 3HD2 LEU 49 3HD2 LEU 49 -2.619 4.914 5.540 414 H GLY 50 H GLY 50 1.314 6.961 6.150 415 1HA GLY 50 1HA GLY 50 3.300 6.703 7.376 416 2HA GLY 50 2HA GLY 50 2.434 7.239 8.821 417 H ALA 51 H ALA 51 0.346 5.376 8.733 418 HA ALA 51 HA ALA 51 1.691 2.831 9.259 419 1HB ALA 51 1HB ALA 51 0.874 3.883 11.317 420 2HB ALA 51 2HB ALA 51 -0.066 2.439 10.943 421 3HB ALA 51 3HB ALA 51 -0.732 4.036 10.610 422 H ARG 52 H ARG 52 1.070 1.319 7.971 423 HA ARG 52 HA ARG 52 -0.714 1.656 5.837 424 1HB ARG 52 1HB ARG 52 1.240 0.279 5.686 425 2HB ARG 52 2HB ARG 52 0.676 -0.755 6.975 426 1HG ARG 52 1HG ARG 52 -1.145 -1.537 5.498 427 2HG ARG 52 2HG ARG 52 -0.484 -0.529 4.203 428 1HD ARG 52 1HD ARG 52 0.281 -2.869 4.028 429 2HD ARG 52 2HD ARG 52 1.620 -1.749 4.282 430 HE ARG 52 HE ARG 52 0.715 -2.705 6.762 431 1HH1 ARG 52 1HH1 ARG 52 2.601 -3.891 3.961 432 2HH1 ARG 52 2HH1 ARG 52 3.435 -5.059 4.885 433 1HH2 ARG 52 1HH2 ARG 52 1.912 -4.343 7.936 434 2HH2 ARG 52 2HH2 ARG 52 3.051 -5.311 7.110 435 H ILE 53 H ILE 53 -2.845 2.147 6.579 436 HA ILE 53 HA ILE 53 -4.279 -0.152 7.685 437 HB ILE 53 HB ILE 53 -4.922 2.793 8.021 438 1HG1 ILE 53 1HG1 ILE 53 -2.956 2.239 9.386 439 2HG1 ILE 53 2HG1 ILE 53 -4.348 2.549 10.412 440 1HG2 ILE 53 1HG2 ILE 53 -6.208 0.367 9.266 441 2HG2 ILE 53 2HG2 ILE 53 -6.902 1.380 8.001 442 3HG2 ILE 53 3HG2 ILE 53 -6.644 2.038 9.614 443 1HD1 ILE 53 1HD1 ILE 53 -4.637 0.120 10.703 444 2HD1 ILE 53 2HD1 ILE 53 -3.057 0.682 11.248 445 3HD1 ILE 53 3HD1 ILE 53 -3.209 -0.152 9.703 446 H ILE 54 H ILE 54 -5.979 -0.791 6.438 447 HA ILE 54 HA ILE 54 -6.265 0.405 3.802 448 HB ILE 54 HB ILE 54 -7.818 -1.907 5.043 449 1HG1 ILE 54 1HG1 ILE 54 -5.349 -1.996 3.286 450 2HG1 ILE 54 2HG1 ILE 54 -5.374 -2.325 5.014 451 1HG2 ILE 54 1HG2 ILE 54 -8.920 -0.941 3.076 452 2HG2 ILE 54 2HG2 ILE 54 -8.292 -2.548 2.712 453 3HG2 ILE 54 3HG2 ILE 54 -7.433 -1.118 2.144 454 1HD1 ILE 54 1HD1 ILE 54 -5.301 -4.379 3.717 455 2HD1 ILE 54 2HD1 ILE 54 -6.785 -3.919 2.883 456 3HD1 ILE 54 3HD1 ILE 54 -6.817 -4.261 4.612 457 H GLY 55 H GLY 55 -7.985 0.339 6.792 458 1HA GLY 55 1HA GLY 55 -9.548 1.926 7.543 459 2HA GLY 55 2HA GLY 55 -9.600 2.572 5.907 460 H ILE 56 H ILE 56 -9.887 -0.642 5.774 461 HA ILE 56 HA ILE 56 -12.816 -0.646 5.855 462 HB ILE 56 HB ILE 56 -11.009 -2.160 3.950 463 1HG1 ILE 56 1HG1 ILE 56 -12.887 0.121 3.309 464 2HG1 ILE 56 2HG1 ILE 56 -11.134 0.263 3.412 465 1HG2 ILE 56 1HG2 ILE 56 -13.109 -2.822 2.834 466 2HG2 ILE 56 2HG2 ILE 56 -14.014 -2.023 4.123 467 3HG2 ILE 56 3HG2 ILE 56 -12.994 -3.411 4.494 468 1HD1 ILE 56 1HD1 ILE 56 -10.902 -1.304 1.563 469 2HD1 ILE 56 2HD1 ILE 56 -11.888 0.085 1.106 470 3HD1 ILE 56 3HD1 ILE 56 -12.656 -1.458 1.482 471 HA PRO 57 HA PRO 57 -11.553 -3.964 8.704 472 1HB PRO 57 1HB PRO 57 -14.449 -4.589 8.635 473 2HB PRO 57 2HB PRO 57 -13.423 -4.245 10.029 474 1HG PRO 57 1HG PRO 57 -15.222 -2.465 9.186 475 2HG PRO 57 2HG PRO 57 -13.633 -1.945 9.775 476 1HD PRO 57 1HD PRO 57 -14.605 -2.222 6.957 477 2HD PRO 57 2HD PRO 57 -13.628 -0.930 7.696 478 HA PRO 58 HA PRO 58 -12.168 -7.058 5.405 479 1HB PRO 58 1HB PRO 58 -9.651 -7.569 4.928 480 2HB PRO 58 2HB PRO 58 -10.290 -5.970 4.538 481 1HG PRO 58 1HG PRO 58 -8.450 -6.766 6.728 482 2HG PRO 58 2HG PRO 58 -8.644 -5.189 5.944 483 1HD PRO 58 1HD PRO 58 -9.857 -6.142 8.413 484 2HD PRO 58 2HD PRO 58 -9.927 -4.518 7.686 485 H VAL 59 H VAL 59 -11.012 -9.270 5.157 486 HA VAL 59 HA VAL 59 -11.258 -10.763 7.572 487 HB VAL 59 HB VAL 59 -10.122 -11.553 4.839 488 1HG1 VAL 59 1HG1 VAL 59 -10.881 -13.306 7.176 489 2HG1 VAL 59 2HG1 VAL 59 -9.245 -13.008 6.589 490 3HG1 VAL 59 3HG1 VAL 59 -10.398 -13.884 5.581 491 1HG2 VAL 59 1HG2 VAL 59 -12.499 -10.961 4.798 492 2HG2 VAL 59 2HG2 VAL 59 -12.809 -12.133 6.079 493 3HG2 VAL 59 3HG2 VAL 59 -12.253 -12.682 4.499 494 HA PRO 60 HA PRO 60 -7.314 -9.174 8.816 495 1HB PRO 60 1HB PRO 60 -7.125 -10.349 11.206 496 2HB PRO 60 2HB PRO 60 -8.336 -9.103 10.867 497 1HG PRO 60 1HG PRO 60 -8.642 -12.086 10.877 498 2HG PRO 60 2HG PRO 60 -9.679 -10.863 11.635 499 1HD PRO 60 1HD PRO 60 -10.275 -11.987 9.251 500 2HD PRO 60 2HD PRO 60 -10.697 -10.308 9.647 501 H ILE 61 H ILE 61 -6.955 -11.474 6.986 502 HA ILE 61 HA ILE 61 -4.923 -13.005 8.424 503 HB ILE 61 HB ILE 61 -6.150 -13.409 5.665 504 1HG1 ILE 61 1HG1 ILE 61 -6.522 -15.033 8.188 505 2HG1 ILE 61 2HG1 ILE 61 -7.685 -13.876 7.567 506 1HG2 ILE 61 1HG2 ILE 61 -4.974 -15.579 5.638 507 2HG2 ILE 61 2HG2 ILE 61 -4.215 -15.188 7.180 508 3HG2 ILE 61 3HG2 ILE 61 -3.836 -14.236 5.747 509 1HD1 ILE 61 1HD1 ILE 61 -7.944 -15.245 5.553 510 2HD1 ILE 61 2HD1 ILE 61 -8.322 -16.152 7.016 511 3HD1 ILE 61 3HD1 ILE 61 -6.779 -16.397 6.197 512 H GLY 62 H GLY 62 -2.736 -12.761 7.755 513 1HA GLY 62 1HA GLY 62 -1.897 -11.731 5.418 514 2HA GLY 62 2HA GLY 62 -2.285 -10.306 6.381 515 H ILE 63 H ILE 63 0.172 -11.866 5.302 516 HA ILE 63 HA ILE 63 1.698 -11.634 7.773 517 HB ILE 63 HB ILE 63 2.203 -13.531 5.429 518 1HG1 ILE 63 1HG1 ILE 63 2.055 -15.333 7.277 519 2HG1 ILE 63 2HG1 ILE 63 1.292 -14.099 8.259 520 1HG2 ILE 63 1HG2 ILE 63 3.831 -13.164 7.927 521 2HG2 ILE 63 2HG2 ILE 63 4.305 -12.732 6.285 522 3HG2 ILE 63 3HG2 ILE 63 4.091 -14.427 6.724 523 1HD1 ILE 63 1HD1 ILE 63 -0.352 -15.570 7.248 524 2HD1 ILE 63 2HD1 ILE 63 0.258 -15.175 5.641 525 3HD1 ILE 63 3HD1 ILE 63 -0.521 -13.930 6.618 526 H ASP 64 H ASP 64 3.664 -10.610 7.546 527 HA ASP 64 HA ASP 64 4.222 -9.283 4.992 528 1HB ASP 64 1HB ASP 64 3.365 -7.710 6.803 529 2HB ASP 64 2HB ASP 64 4.702 -8.226 7.813 530 H GLU 65 H GLU 65 5.689 -10.840 4.326 531 HA GLU 65 HA GLU 65 7.310 -12.214 6.111 532 1HB GLU 65 1HB GLU 65 7.444 -11.945 3.118 533 2HB GLU 65 2HB GLU 65 8.445 -13.042 4.038 534 1HG GLU 65 1HG GLU 65 6.764 -14.470 3.389 535 2HG GLU 65 2HG GLU 65 6.127 -13.924 4.930 536 H GLU 66 H GLU 66 8.199 -9.917 3.626 537 HA GLU 66 HA GLU 66 10.171 -8.762 5.305 538 1HB GLU 66 1HB GLU 66 11.048 -11.070 4.378 539 2HB GLU 66 2HB GLU 66 11.182 -10.218 2.856 540 1HG GLU 66 1HG GLU 66 12.618 -9.367 5.346 541 2HG GLU 66 2HG GLU 66 13.288 -10.497 4.173 542 H ARG 67 H ARG 67 11.381 -7.113 3.753 543 HA ARG 67 HA ARG 67 9.233 -5.865 2.325 544 1HB ARG 67 1HB ARG 67 10.511 -4.587 3.954 545 2HB ARG 67 2HB ARG 67 11.956 -4.798 2.983 546 1HG ARG 67 1HG ARG 67 10.773 -2.576 2.721 547 2HG ARG 67 2HG ARG 67 11.119 -3.461 1.229 548 1HD ARG 67 1HD ARG 67 8.872 -2.559 1.219 549 2HD ARG 67 2HD ARG 67 8.917 -4.326 1.174 550 HE ARG 67 HE ARG 67 8.376 -2.859 3.683 551 1HH1 ARG 67 1HH1 ARG 67 7.433 -5.449 1.399 552 2HH1 ARG 67 2HH1 ARG 67 6.235 -6.076 2.426 553 1HH2 ARG 67 1HH2 ARG 67 6.675 -3.802 5.084 554 2HH2 ARG 67 2HH2 ARG 67 5.827 -5.154 4.563 555 H SER 68 H SER 68 12.408 -7.092 1.719 556 HA SER 68 HA SER 68 12.174 -6.447 -1.096 557 1HB SER 68 1HB SER 68 14.330 -6.085 0.142 558 2HB SER 68 2HB SER 68 14.456 -7.825 0.389 559 HG SER 68 HG SER 68 14.196 -6.587 -2.123 560 H THR 69 H THR 69 10.394 -8.149 0.163 561 HA THR 69 HA THR 69 10.530 -10.515 -1.474 562 HB THR 69 HB THR 69 9.841 -10.609 1.488 563 HG1 THR 69 HG1 THR 69 12.145 -10.163 1.144 564 1HG2 THR 69 1HG2 THR 69 10.529 -12.802 -0.472 565 2HG2 THR 69 2HG2 THR 69 8.900 -12.383 0.054 566 3HG2 THR 69 3HG2 THR 69 10.056 -13.038 1.212 567 H VAL 70 H VAL 70 8.119 -11.403 -1.257 568 HA VAL 70 HA VAL 70 6.383 -9.066 -1.302 569 HB VAL 70 HB VAL 70 4.684 -10.546 -2.189 570 1HG1 VAL 70 1HG1 VAL 70 7.295 -10.828 -3.629 571 2HG1 VAL 70 2HG1 VAL 70 6.090 -9.547 -3.797 572 3HG1 VAL 70 3HG1 VAL 70 5.714 -11.186 -4.324 573 1HG2 VAL 70 1HG2 VAL 70 5.200 -12.603 -1.025 574 2HG2 VAL 70 2HG2 VAL 70 6.705 -12.768 -1.923 575 3HG2 VAL 70 3HG2 VAL 70 5.159 -12.895 -2.763 576 H MET 71 H MET 71 4.473 -9.103 -0.218 577 HA MET 71 HA MET 71 4.585 -10.521 2.342 578 1HB MET 71 1HB MET 71 3.409 -8.577 3.288 579 2HB MET 71 2HB MET 71 4.924 -8.059 2.556 580 1HG MET 71 1HG MET 71 3.601 -7.385 0.539 581 2HG MET 71 2HG MET 71 2.140 -7.743 1.450 582 1HE MET 71 1HE MET 71 1.077 -5.372 1.254 583 2HE MET 71 2HE MET 71 2.382 -5.013 0.132 584 3HE MET 71 3HE MET 71 1.998 -3.877 1.429 585 H ILE 72 H ILE 72 2.645 -11.510 2.912 586 HA ILE 72 HA ILE 72 0.624 -11.315 0.817 587 HB ILE 72 HB ILE 72 1.600 -13.506 0.729 588 1HG1 ILE 72 1HG1 ILE 72 -0.413 -14.963 1.018 589 2HG1 ILE 72 2HG1 ILE 72 -1.196 -13.646 1.880 590 1HG2 ILE 72 1HG2 ILE 72 2.470 -13.770 2.931 591 2HG2 ILE 72 2HG2 ILE 72 1.452 -15.156 2.532 592 3HG2 ILE 72 3HG2 ILE 72 0.842 -13.892 3.599 593 1HD1 ILE 72 1HD1 ILE 72 -0.294 -13.577 -0.994 594 2HD1 ILE 72 2HD1 ILE 72 -1.106 -12.267 -0.135 595 3HD1 ILE 72 3HD1 ILE 72 -1.951 -13.786 -0.429 596 HA PRO 73 HA PRO 73 -1.756 -10.042 4.434 597 1HB PRO 73 1HB PRO 73 -2.695 -7.768 2.935 598 2HB PRO 73 2HB PRO 73 -1.624 -7.754 4.340 599 1HG PRO 73 1HG PRO 73 -0.827 -7.030 1.814 600 2HG PRO 73 2HG PRO 73 0.268 -7.659 3.058 601 1HD PRO 73 1HD PRO 73 -1.045 -9.119 0.785 602 2HD PRO 73 2HD PRO 73 0.637 -9.218 1.358 603 H TYR 74 H TYR 74 -3.278 -11.643 4.157 604 HA TYR 74 HA TYR 74 -4.823 -11.606 1.724 605 1HB TYR 74 1HB TYR 74 -3.824 -13.761 2.704 606 2HB TYR 74 2HB TYR 74 -5.099 -13.624 3.918 607 HD1 TYR 74 HD1 TYR 74 -7.369 -14.208 3.413 608 HD2 TYR 74 HD2 TYR 74 -4.448 -14.092 0.326 609 HE1 TYR 74 HE1 TYR 74 -8.950 -15.284 1.875 610 HE2 TYR 74 HE2 TYR 74 -6.024 -15.172 -1.213 611 HH TYR 74 HH TYR 74 -8.007 -16.643 -1.008 612 H THR 75 H THR 75 -5.543 -9.596 2.530 613 HA THR 75 HA THR 75 -7.620 -9.883 4.441 614 HB THR 75 HB THR 75 -7.564 -7.330 4.303 615 HG1 THR 75 HG1 THR 75 -5.155 -6.888 3.649 616 1HG2 THR 75 1HG2 THR 75 -6.607 -8.551 6.199 617 2HG2 THR 75 2HG2 THR 75 -5.605 -7.157 5.790 618 3HG2 THR 75 3HG2 THR 75 -5.106 -8.776 5.303 619 H LYS 76 H LYS 76 -9.693 -9.494 3.792 620 HA LYS 76 HA LYS 76 -10.114 -8.977 0.930 621 1HB LYS 76 1HB LYS 76 -11.961 -10.315 2.902 622 2HB LYS 76 2HB LYS 76 -12.395 -9.938 1.247 623 1HG LYS 76 1HG LYS 76 -10.547 -11.414 0.491 624 2HG LYS 76 2HG LYS 76 -10.283 -11.866 2.178 625 1HD LYS 76 1HD LYS 76 -12.578 -12.676 2.328 626 2HD LYS 76 2HD LYS 76 -12.861 -12.200 0.656 627 1HE LYS 76 1HE LYS 76 -11.096 -13.767 -0.055 628 2HE LYS 76 2HE LYS 76 -10.905 -14.271 1.624 629 1HZ LYS 76 1HZ LYS 76 -13.194 -15.040 1.615 630 2HZ LYS 76 2HZ LYS 76 -12.316 -15.786 0.411 631 3HZ LYS 76 3HZ LYS 76 -13.385 -14.551 0.012 632 HA PRO 77 HA PRO 77 -12.052 -5.275 2.610 633 1HB PRO 77 1HB PRO 77 -10.565 -3.488 1.259 634 2HB PRO 77 2HB PRO 77 -9.963 -4.277 2.719 635 1HG PRO 77 1HG PRO 77 -9.094 -4.627 -0.055 636 2HG PRO 77 2HG PRO 77 -8.297 -5.149 1.436 637 1HD PRO 77 1HD PRO 77 -10.007 -6.688 -0.383 638 2HD PRO 77 2HD PRO 77 -8.949 -7.261 0.925 639 H CYS 78 H CYS 78 -12.539 -3.165 1.014 640 HA CYS 78 HA CYS 78 -14.185 -4.266 -1.111 641 1HB CYS 78 1HB CYS 78 -15.119 -2.661 0.588 642 2HB CYS 78 2HB CYS 78 -14.019 -1.445 -0.033 643 HG CYS 78 HG CYS 78 -15.469 -0.589 -1.867 644 H TYR 79 H TYR 79 -11.092 -3.330 -0.862 645 HA TYR 79 HA TYR 79 -11.097 -1.966 -3.450 646 1HB TYR 79 1HB TYR 79 -10.093 -0.694 -1.531 647 2HB TYR 79 2HB TYR 79 -8.855 -1.939 -1.417 648 HD1 TYR 79 HD1 TYR 79 -10.367 0.411 -3.854 649 HD2 TYR 79 HD2 TYR 79 -6.867 -1.647 -2.618 650 HE1 TYR 79 HE1 TYR 79 -9.076 1.636 -5.534 651 HE2 TYR 79 HE2 TYR 79 -5.557 -0.424 -4.302 652 HH TYR 79 HH TYR 79 -6.014 0.703 -6.447 653 H GLY 80 H GLY 80 -8.474 -3.813 -1.801 654 1HA GLY 80 1HA GLY 80 -8.711 -6.116 -3.327 655 2HA GLY 80 2HA GLY 80 -7.631 -5.009 -4.167 656 H THR 81 H THR 81 -6.393 -7.160 -3.518 657 HA THR 81 HA THR 81 -5.202 -6.921 -0.882 658 HB THR 81 HB THR 81 -4.912 -8.975 -3.057 659 HG1 THR 81 HG1 THR 81 -6.605 -8.841 -0.791 660 1HG2 THR 81 1HG2 THR 81 -4.004 -9.088 -0.173 661 2HG2 THR 81 2HG2 THR 81 -2.959 -8.944 -1.585 662 3HG2 THR 81 3HG2 THR 81 -3.891 -10.421 -1.324 663 H ALA 82 H ALA 82 -3.259 -6.256 -0.538 664 HA ALA 82 HA ALA 82 -1.857 -5.121 -2.828 665 1HB ALA 82 1HB ALA 82 -1.853 -4.331 0.070 666 2HB ALA 82 2HB ALA 82 -2.747 -3.533 -1.224 667 3HB ALA 82 3HB ALA 82 -0.981 -3.524 -1.231 668 H VAL 83 H VAL 83 -0.125 -6.223 -3.387 669 HA VAL 83 HA VAL 83 1.616 -7.300 -1.281 670 HB VAL 83 HB VAL 83 1.331 -8.236 -4.159 671 1HG1 VAL 83 1HG1 VAL 83 2.744 -9.473 -1.802 672 2HG1 VAL 83 2HG1 VAL 83 3.512 -8.665 -3.167 673 3HG1 VAL 83 3HG1 VAL 83 2.637 -10.179 -3.414 674 1HG2 VAL 83 1HG2 VAL 83 -0.732 -8.769 -2.969 675 2HG2 VAL 83 2HG2 VAL 83 0.195 -9.550 -1.688 676 3HG2 VAL 83 3HG2 VAL 83 0.185 -10.236 -3.313 677 H VAL 84 H VAL 84 3.695 -6.437 -1.369 678 HA VAL 84 HA VAL 84 4.425 -4.945 -3.764 679 HB VAL 84 HB VAL 84 5.246 -2.981 -2.500 680 1HG1 VAL 84 1HG1 VAL 84 2.990 -2.846 -3.082 681 2HG1 VAL 84 2HG1 VAL 84 3.294 -2.054 -1.535 682 3HG1 VAL 84 3HG1 VAL 84 2.514 -3.636 -1.583 683 1HG2 VAL 84 1HG2 VAL 84 4.430 -4.429 0.031 684 2HG2 VAL 84 2HG2 VAL 84 5.060 -2.785 -0.072 685 3HG2 VAL 84 3HG2 VAL 84 6.088 -4.152 -0.502 686 H GLU 85 H GLU 85 6.642 -5.041 -4.216 687 HA GLU 85 HA GLU 85 8.275 -6.410 -2.248 688 1HB GLU 85 1HB GLU 85 7.474 -8.107 -3.904 689 2HB GLU 85 2HB GLU 85 8.249 -7.170 -5.178 690 1HG GLU 85 1HG GLU 85 10.411 -7.455 -3.997 691 2HG GLU 85 2HG GLU 85 9.585 -8.498 -2.844 692 H LEU 86 H LEU 86 10.093 -5.401 -2.002 693 HA LEU 86 HA LEU 86 10.696 -3.239 -3.855 694 1HB LEU 86 1HB LEU 86 10.356 -2.821 -1.439 695 2HB LEU 86 2HB LEU 86 11.725 -3.853 -1.090 696 HG LEU 86 HG LEU 86 13.109 -2.222 -2.440 697 1HD1 LEU 86 1HD1 LEU 86 12.267 0.044 -2.629 698 2HD1 LEU 86 2HD1 LEU 86 10.676 -0.501 -2.101 699 3HD1 LEU 86 3HD1 LEU 86 11.350 -1.085 -3.623 700 1HD2 LEU 86 1HD2 LEU 86 13.217 -2.358 -0.037 701 2HD2 LEU 86 2HD2 LEU 86 11.788 -1.335 0.105 702 3HD2 LEU 86 3HD2 LEU 86 13.284 -0.671 -0.548 703 HA PRO 87 HA PRO 87 14.270 -5.896 -4.966 704 1HB PRO 87 1HB PRO 87 15.571 -4.248 -6.631 705 2HB PRO 87 2HB PRO 87 14.025 -4.977 -7.087 706 1HG PRO 87 1HG PRO 87 14.597 -2.209 -6.102 707 2HG PRO 87 2HG PRO 87 13.485 -2.733 -7.375 708 1HD PRO 87 1HD PRO 87 12.736 -2.106 -4.803 709 2HD PRO 87 2HD PRO 87 11.805 -3.157 -5.887 710 H VAL 88 H VAL 88 14.295 -3.234 -3.121 711 HA VAL 88 HA VAL 88 17.195 -3.073 -2.666 712 HB VAL 88 HB VAL 88 14.988 -1.251 -1.679 713 1HG1 VAL 88 1HG1 VAL 88 16.701 0.396 -1.244 714 2HG1 VAL 88 2HG1 VAL 88 17.937 -0.706 -1.833 715 3HG1 VAL 88 3HG1 VAL 88 17.034 -1.099 -0.365 716 1HG2 VAL 88 1HG2 VAL 88 14.979 -1.132 -4.083 717 2HG2 VAL 88 2HG2 VAL 88 16.724 -0.881 -4.104 718 3HG2 VAL 88 3HG2 VAL 88 15.671 0.355 -3.425 719 H ASP 89 H ASP 89 17.775 -3.025 -0.418 720 HA ASP 89 HA ASP 89 16.625 -5.087 1.130 721 1HB ASP 89 1HB ASP 89 18.664 -2.963 1.787 722 2HB ASP 89 2HB ASP 89 18.157 -4.141 2.990 723 HA PRO 90 HA PRO 90 13.384 -3.267 3.538 724 1HB PRO 90 1HB PRO 90 14.091 -4.006 6.113 725 2HB PRO 90 2HB PRO 90 13.254 -5.046 4.954 726 1HG PRO 90 1HG PRO 90 16.186 -4.893 5.578 727 2HG PRO 90 2HG PRO 90 15.158 -6.327 5.372 728 1HD PRO 90 1HD PRO 90 16.728 -5.571 3.400 729 2HD PRO 90 2HD PRO 90 15.060 -6.071 3.052 730 H GLU 91 H GLU 91 16.605 -2.349 4.064 731 HA GLU 91 HA GLU 91 16.547 -0.476 6.136 732 1HB GLU 91 1HB GLU 91 18.471 0.575 4.949 733 2HB GLU 91 2HB GLU 91 18.633 -1.169 5.119 734 1HG GLU 91 1HG GLU 91 17.901 -1.467 2.815 735 2HG GLU 91 2HG GLU 91 17.707 0.268 2.647 736 H GLU 92 H GLU 92 15.291 -0.359 2.939 737 HA GLU 92 HA GLU 92 15.033 2.415 2.550 738 1HB GLU 92 1HB GLU 92 14.778 0.593 0.823 739 2HB GLU 92 2HB GLU 92 13.216 0.230 1.532 740 1HG GLU 92 1HG GLU 92 12.725 1.533 -0.342 741 2HG GLU 92 2HG GLU 92 12.607 2.652 1.011 742 H ILE 93 H ILE 93 13.161 0.064 4.384 743 HA ILE 93 HA ILE 93 10.702 1.447 4.599 744 HB ILE 93 HB ILE 93 11.951 -0.482 6.579 745 1HG1 ILE 93 1HG1 ILE 93 9.815 -0.909 4.479 746 2HG1 ILE 93 2HG1 ILE 93 11.473 -1.502 4.417 747 1HG2 ILE 93 1HG2 ILE 93 9.111 0.554 6.497 748 2HG2 ILE 93 2HG2 ILE 93 10.318 0.902 7.734 749 3HG2 ILE 93 3HG2 ILE 93 9.699 -0.739 7.544 750 1HD1 ILE 93 1HD1 ILE 93 9.815 -3.218 5.084 751 2HD1 ILE 93 2HD1 ILE 93 9.482 -2.281 6.537 752 3HD1 ILE 93 3HD1 ILE 93 11.087 -2.963 6.275 753 H GLU 94 H GLU 94 13.613 1.526 6.533 754 HA GLU 94 HA GLU 94 12.568 3.122 8.600 755 1HB GLU 94 1HB GLU 94 15.437 2.730 7.734 756 2HB GLU 94 2HB GLU 94 14.901 3.295 9.322 757 1HG GLU 94 1HG GLU 94 13.725 1.173 9.678 758 2HG GLU 94 2HG GLU 94 14.271 0.606 8.111 759 H ARG 95 H ARG 95 14.181 3.853 5.609 760 HA ARG 95 HA ARG 95 14.391 6.682 5.961 761 1HB ARG 95 1HB ARG 95 15.737 5.459 4.347 762 2HB ARG 95 2HB ARG 95 14.288 4.913 3.519 763 1HG ARG 95 1HG ARG 95 13.799 7.321 3.022 764 2HG ARG 95 2HG ARG 95 15.423 7.687 3.620 765 1HD ARG 95 1HD ARG 95 16.378 6.159 2.018 766 2HD ARG 95 2HD ARG 95 14.764 5.731 1.456 767 HE ARG 95 HE ARG 95 15.611 8.500 1.293 768 1HH1 ARG 95 1HH1 ARG 95 14.890 5.436 -0.376 769 2HH1 ARG 95 2HH1 ARG 95 14.776 6.155 -1.911 770 1HH2 ARG 95 1HH2 ARG 95 15.441 9.481 -0.839 771 2HH2 ARG 95 2HH2 ARG 95 15.083 8.487 -2.173 772 H ILE 96 H ILE 96 12.160 4.481 4.452 773 HA ILE 96 HA ILE 96 10.275 6.296 3.468 774 HB ILE 96 HB ILE 96 10.534 3.412 3.945 775 1HG1 ILE 96 1HG1 ILE 96 11.438 4.261 1.915 776 2HG1 ILE 96 2HG1 ILE 96 10.101 3.188 1.525 777 1HG2 ILE 96 1HG2 ILE 96 8.314 2.790 3.116 778 2HG2 ILE 96 2HG2 ILE 96 7.827 4.477 3.208 779 3HG2 ILE 96 3HG2 ILE 96 8.266 3.606 4.678 780 1HD1 ILE 96 1HD1 ILE 96 8.683 5.152 1.117 781 2HD1 ILE 96 2HD1 ILE 96 10.106 5.119 0.083 782 3HD1 ILE 96 3HD1 ILE 96 10.054 6.209 1.464 783 H LEU 97 H LEU 97 10.899 5.174 6.611 784 HA LEU 97 HA LEU 97 8.309 5.707 7.710 785 1HB LEU 97 1HB LEU 97 9.884 4.101 8.730 786 2HB LEU 97 2HB LEU 97 11.002 5.406 9.052 787 HG LEU 97 HG LEU 97 9.378 6.391 10.622 788 1HD1 LEU 97 1HD1 LEU 97 7.310 5.544 9.653 789 2HD1 LEU 97 2HD1 LEU 97 7.443 5.079 11.348 790 3HD1 LEU 97 3HD1 LEU 97 7.769 3.895 10.082 791 1HD2 LEU 97 1HD2 LEU 97 9.633 4.693 12.370 792 2HD2 LEU 97 2HD2 LEU 97 11.117 4.907 11.440 793 3HD2 LEU 97 3HD2 LEU 97 10.085 3.507 11.146 794 H GLU 98 H GLU 98 11.222 7.484 7.111 795 HA GLU 98 HA GLU 98 10.425 9.829 8.619 796 1HB GLU 98 1HB GLU 98 12.824 9.155 8.079 797 2HB GLU 98 2HB GLU 98 12.460 9.589 6.419 798 1HG GLU 98 1HG GLU 98 11.973 11.868 7.085 799 2HG GLU 98 2HG GLU 98 12.362 11.483 8.759 800 H VAL 99 H VAL 99 10.630 8.758 5.316 801 HA VAL 99 HA VAL 99 9.414 11.070 4.124 802 HB VAL 99 HB VAL 99 10.097 8.330 3.000 803 1HG1 VAL 99 1HG1 VAL 99 10.111 9.415 0.758 804 2HG1 VAL 99 2HG1 VAL 99 9.557 10.919 1.495 805 3HG1 VAL 99 3HG1 VAL 99 8.514 9.498 1.501 806 1HG2 VAL 99 1HG2 VAL 99 12.051 9.420 3.850 807 2HG2 VAL 99 2HG2 VAL 99 11.676 10.885 2.941 808 3HG2 VAL 99 3HG2 VAL 99 12.110 9.404 2.088 809 H ALA 100 H ALA 100 8.088 9.048 6.102 810 HA ALA 100 HA ALA 100 5.904 7.724 5.000 811 1HB ALA 100 1HB ALA 100 4.892 7.880 7.223 812 2HB ALA 100 2HB ALA 100 6.092 9.087 7.682 813 3HB ALA 100 3HB ALA 100 6.596 7.438 7.317 814 H GLU 101 H GLU 101 6.129 10.978 6.278 815 HA GLU 101 HA GLU 101 3.710 11.606 4.834 816 1HB GLU 101 1HB GLU 101 4.603 12.623 7.531 817 2HB GLU 101 2HB GLU 101 3.306 13.368 6.618 818 1HG GLU 101 1HG GLU 101 2.051 11.257 6.711 819 2HG GLU 101 2HG GLU 101 3.362 10.532 7.640 820 HA PRO 102 HA PRO 102 6.912 14.426 3.178 821 1HB PRO 102 1HB PRO 102 5.542 14.034 0.635 822 2HB PRO 102 2HB PRO 102 7.186 13.562 1.076 823 1HG PRO 102 1HG PRO 102 5.253 11.711 0.650 824 2HG PRO 102 2HG PRO 102 6.523 11.493 1.874 825 1HD PRO 102 1HD PRO 102 3.727 12.509 2.252 826 2HD PRO 102 2HD PRO 102 4.585 11.200 3.110 Start of MODEL 17 1 H HIS 1 H HIS 1 4.056 7.323 -13.745 2 HA HIS 1 HA HIS 1 2.476 8.532 -12.364 3 1HB HIS 1 1HB HIS 1 2.473 5.524 -11.964 4 2HB HIS 1 2HB HIS 1 1.109 6.562 -11.586 5 HD1 HIS 1 HD1 HIS 1 -0.015 7.785 -13.723 6 HD2 HIS 1 HD2 HIS 1 2.651 4.702 -14.547 7 HE1 HIS 1 HE1 HIS 1 -0.443 7.107 -16.112 8 H MET 2 H MET 2 1.766 9.148 -10.349 9 HA MET 2 HA MET 2 2.981 8.081 -7.948 10 1HB MET 2 1HB MET 2 3.052 11.017 -8.753 11 2HB MET 2 2HB MET 2 3.430 10.413 -7.152 12 1HG MET 2 1HG MET 2 5.381 9.250 -8.041 13 2HG MET 2 2HG MET 2 4.973 9.801 -9.663 14 1HE MET 2 1HE MET 2 8.186 11.896 -8.727 15 2HE MET 2 2HE MET 2 7.477 10.785 -9.894 16 3HE MET 2 3HE MET 2 7.831 10.233 -8.258 17 H THR 3 H THR 3 1.347 7.966 -6.452 18 HA THR 3 HA THR 3 -1.094 9.423 -7.125 19 HB THR 3 HB THR 3 -1.367 7.007 -7.378 20 HG1 THR 3 HG1 THR 3 -3.094 6.723 -5.857 21 1HG2 THR 3 1HG2 THR 3 -1.276 5.507 -5.428 22 2HG2 THR 3 2HG2 THR 3 -0.664 6.841 -4.448 23 3HG2 THR 3 3HG2 THR 3 0.296 6.220 -5.794 24 H PHE 4 H PHE 4 -1.952 10.758 -5.694 25 HA PHE 4 HA PHE 4 -1.077 10.586 -2.919 26 1HB PHE 4 1HB PHE 4 -1.200 13.176 -4.494 27 2HB PHE 4 2HB PHE 4 -0.804 13.028 -2.783 28 HD1 PHE 4 HD1 PHE 4 0.470 12.984 -6.117 29 HD2 PHE 4 HD2 PHE 4 1.221 11.661 -2.152 30 HE1 PHE 4 HE1 PHE 4 2.817 12.574 -6.701 31 HE2 PHE 4 HE2 PHE 4 3.572 11.255 -2.727 32 HZ PHE 4 HZ PHE 4 4.367 11.697 -4.999 33 H CYS 5 H CYS 5 -3.606 10.391 -4.863 34 HA CYS 5 HA CYS 5 -5.430 11.914 -3.202 35 1HB CYS 5 1HB CYS 5 -5.894 10.283 -5.706 36 2HB CYS 5 2HB CYS 5 -7.117 11.237 -4.875 37 HG CYS 5 HG CYS 5 -6.668 13.393 -6.100 38 H LEU 6 H LEU 6 -5.798 10.848 -1.304 39 HA LEU 6 HA LEU 6 -6.428 8.052 -1.617 40 1HB LEU 6 1HB LEU 6 -6.284 7.840 0.933 41 2HB LEU 6 2HB LEU 6 -4.818 7.954 0.010 42 HG LEU 6 HG LEU 6 -4.472 10.266 0.836 43 1HD1 LEU 6 1HD1 LEU 6 -5.901 11.212 2.559 44 2HD1 LEU 6 2HD1 LEU 6 -6.996 9.837 2.438 45 3HD1 LEU 6 3HD1 LEU 6 -6.836 10.957 1.085 46 1HD2 LEU 6 1HD2 LEU 6 -4.049 9.723 3.126 47 2HD2 LEU 6 2HD2 LEU 6 -3.682 8.300 2.145 48 3HD2 LEU 6 3HD2 LEU 6 -5.179 8.390 3.057 49 H GLU 7 H GLU 7 -7.732 11.006 -0.460 50 HA GLU 7 HA GLU 7 -10.030 9.824 0.710 51 1HB GLU 7 1HB GLU 7 -9.030 11.962 1.481 52 2HB GLU 7 2HB GLU 7 -9.500 12.701 -0.038 53 1HG GLU 7 1HG GLU 7 -11.834 12.373 0.502 54 2HG GLU 7 2HG GLU 7 -11.388 11.560 2.002 55 H THR 8 H THR 8 -9.086 10.783 -2.434 56 HA THR 8 HA THR 8 -11.582 11.188 -3.608 57 HB THR 8 HB THR 8 -9.189 9.878 -4.826 58 HG1 THR 8 HG1 THR 8 -9.412 12.667 -4.883 59 1HG2 THR 8 1HG2 THR 8 -11.180 10.109 -6.262 60 2HG2 THR 8 2HG2 THR 8 -9.860 11.119 -6.842 61 3HG2 THR 8 3HG2 THR 8 -11.199 11.848 -5.960 62 H TYR 9 H TYR 9 -9.559 8.394 -2.921 63 HA TYR 9 HA TYR 9 -11.251 6.564 -4.229 64 1HB TYR 9 1HB TYR 9 -8.838 6.320 -2.521 65 2HB TYR 9 2HB TYR 9 -9.820 4.884 -2.776 66 HD1 TYR 9 HD1 TYR 9 -7.752 7.460 -4.428 67 HD2 TYR 9 HD2 TYR 9 -9.843 3.788 -4.897 68 HE1 TYR 9 HE1 TYR 9 -6.689 7.138 -6.620 69 HE2 TYR 9 HE2 TYR 9 -8.787 3.454 -7.085 70 HH TYR 9 HH TYR 9 -7.803 4.846 -8.815 71 H LEU 10 H LEU 10 -10.849 7.746 -1.046 72 HA LEU 10 HA LEU 10 -12.499 5.954 0.333 73 1HB LEU 10 1HB LEU 10 -10.787 7.646 1.189 74 2HB LEU 10 2HB LEU 10 -11.996 8.867 0.922 75 HG LEU 10 HG LEU 10 -12.481 6.578 2.817 76 1HD1 LEU 10 1HD1 LEU 10 -11.216 9.256 3.378 77 2HD1 LEU 10 2HD1 LEU 10 -10.415 7.687 3.477 78 3HD1 LEU 10 3HD1 LEU 10 -11.720 8.086 4.594 79 1HD2 LEU 10 1HD2 LEU 10 -14.027 8.168 3.837 80 2HD2 LEU 10 2HD2 LEU 10 -14.427 7.909 2.137 81 3HD2 LEU 10 3HD2 LEU 10 -13.591 9.382 2.633 82 H GLN 11 H GLN 11 -13.104 8.925 -1.428 83 HA GLN 11 HA GLN 11 -15.879 9.087 -0.850 84 1HB GLN 11 1HB GLN 11 -14.022 10.382 -2.802 85 2HB GLN 11 2HB GLN 11 -15.745 10.705 -2.880 86 1HG GLN 11 1HG GLN 11 -15.713 11.620 -0.654 87 2HG GLN 11 2HG GLN 11 -14.041 11.113 -0.431 88 1HE2 GLN 11 1HE2 GLN 11 -13.427 13.198 0.015 89 2HE2 GLN 11 2HE2 GLN 11 -13.269 14.405 -1.204 90 H GLN 12 H GLN 12 -13.919 7.734 -3.406 91 HA GLN 12 HA GLN 12 -16.128 7.106 -5.066 92 1HB GLN 12 1HB GLN 12 -13.243 6.269 -5.217 93 2HB GLN 12 2HB GLN 12 -14.444 5.749 -6.384 94 1HG GLN 12 1HG GLN 12 -13.736 8.615 -5.817 95 2HG GLN 12 2HG GLN 12 -13.081 7.659 -7.143 96 1HE2 GLN 12 1HE2 GLN 12 -14.661 10.095 -7.185 97 2HE2 GLN 12 2HE2 GLN 12 -16.063 9.733 -8.130 98 H SER 13 H SER 13 -14.748 5.618 -2.396 99 HA SER 13 HA SER 13 -15.265 3.891 -1.233 100 1HB SER 13 1HB SER 13 -17.305 3.158 -3.357 101 2HB SER 13 2HB SER 13 -17.146 2.350 -1.796 102 HG SER 13 HG SER 13 -17.373 5.112 -1.803 103 H GLY 14 H GLY 14 -13.594 2.640 -1.117 104 1HA GLY 14 1HA GLY 14 -12.886 0.363 -2.023 105 2HA GLY 14 2HA GLY 14 -12.689 1.252 -3.535 106 H GLU 15 H GLU 15 -12.075 2.177 -0.239 107 HA GLU 15 HA GLU 15 -9.445 3.061 -0.988 108 1HB GLU 15 1HB GLU 15 -9.554 4.361 1.109 109 2HB GLU 15 2HB GLU 15 -10.840 4.750 -0.018 110 1HG GLU 15 1HG GLU 15 -11.263 2.845 2.288 111 2HG GLU 15 2HG GLU 15 -11.413 4.583 2.479 112 H TYR 16 H TYR 16 -7.712 2.690 0.519 113 HA TYR 16 HA TYR 16 -7.938 0.496 2.486 114 1HB TYR 16 1HB TYR 16 -6.988 -0.217 0.184 115 2HB TYR 16 2HB TYR 16 -5.679 0.901 0.484 116 HD1 TYR 16 HD1 TYR 16 -7.268 -2.223 1.676 117 HD2 TYR 16 HD2 TYR 16 -3.782 0.204 1.732 118 HE1 TYR 16 HE1 TYR 16 -6.010 -4.065 2.714 119 HE2 TYR 16 HE2 TYR 16 -2.518 -1.618 2.779 120 HH TYR 16 HH TYR 16 -3.811 -4.821 3.061 121 H GLU 17 H GLU 17 -8.029 3.378 2.483 122 HA GLU 17 HA GLU 17 -5.582 4.135 3.850 123 1HB GLU 17 1HB GLU 17 -6.903 5.751 1.680 124 2HB GLU 17 2HB GLU 17 -5.545 6.283 2.629 125 1HG GLU 17 1HG GLU 17 -4.572 5.697 0.624 126 2HG GLU 17 2HG GLU 17 -4.347 4.230 1.568 127 H ILE 18 H ILE 18 -5.995 6.289 4.897 128 HA ILE 18 HA ILE 18 -8.774 6.431 5.496 129 HB ILE 18 HB ILE 18 -7.343 5.469 7.461 130 1HG1 ILE 18 1HG1 ILE 18 -9.206 7.787 8.097 131 2HG1 ILE 18 2HG1 ILE 18 -9.706 6.148 7.707 132 1HG2 ILE 18 1HG2 ILE 18 -6.742 8.393 7.880 133 2HG2 ILE 18 2HG2 ILE 18 -5.568 7.159 7.441 134 3HG2 ILE 18 3HG2 ILE 18 -6.370 7.093 9.011 135 1HD1 ILE 18 1HD1 ILE 18 -8.634 5.340 9.728 136 2HD1 ILE 18 2HD1 ILE 18 -9.795 6.616 10.096 137 3HD1 ILE 18 3HD1 ILE 18 -8.067 6.968 10.090 138 H HIS 19 H HIS 19 -8.845 8.922 6.943 139 HA HIS 19 HA HIS 19 -8.348 10.820 4.830 140 1HB HIS 19 1HB HIS 19 -9.298 11.251 7.671 141 2HB HIS 19 2HB HIS 19 -9.184 12.535 6.480 142 HD1 HIS 19 HD1 HIS 19 -11.060 12.552 4.568 143 HD2 HIS 19 HD2 HIS 19 -11.438 9.535 7.426 144 HE1 HIS 19 HE1 HIS 19 -13.354 11.633 4.311 145 H MET 20 H MET 20 -5.973 9.774 5.456 146 HA MET 20 HA MET 20 -4.436 11.813 6.912 147 1HB MET 20 1HB MET 20 -4.310 8.944 6.519 148 2HB MET 20 2HB MET 20 -2.716 9.689 6.623 149 1HG MET 20 1HG MET 20 -3.493 10.629 8.833 150 2HG MET 20 2HG MET 20 -4.958 9.668 8.643 151 1HE MET 20 1HE MET 20 -2.995 9.504 11.164 152 2HE MET 20 2HE MET 20 -2.949 7.760 11.415 153 3HE MET 20 3HE MET 20 -4.473 8.551 11.011 154 H LYS 21 H LYS 21 -1.955 10.591 5.454 155 HA LYS 21 HA LYS 21 -2.463 11.925 2.902 156 1HB LYS 21 1HB LYS 21 -1.066 13.181 4.656 157 2HB LYS 21 2HB LYS 21 0.150 11.941 4.440 158 1HG LYS 21 1HG LYS 21 -0.844 13.640 2.164 159 2HG LYS 21 2HG LYS 21 0.472 14.145 3.214 160 1HD LYS 21 1HD LYS 21 1.768 12.213 2.535 161 2HD LYS 21 2HD LYS 21 0.418 11.629 1.557 162 1HE LYS 21 1HE LYS 21 0.563 13.566 0.128 163 2HE LYS 21 2HE LYS 21 1.819 14.267 1.146 164 1HZ LYS 21 1HZ LYS 21 3.288 12.459 0.538 165 2HZ LYS 21 2HZ LYS 21 2.729 13.209 -0.843 166 3HZ LYS 21 3HZ LYS 21 2.048 11.730 -0.349 167 H ARG 22 H ARG 22 -1.817 10.771 1.104 168 HA ARG 22 HA ARG 22 -0.455 8.211 1.629 169 1HB ARG 22 1HB ARG 22 -1.795 7.126 0.066 170 2HB ARG 22 2HB ARG 22 -2.878 8.432 0.439 171 1HG ARG 22 1HG ARG 22 -2.175 9.687 -1.489 172 2HG ARG 22 2HG ARG 22 -0.948 8.486 -1.881 173 1HD ARG 22 1HD ARG 22 -3.949 8.113 -1.940 174 2HD ARG 22 2HD ARG 22 -2.898 8.290 -3.332 175 HE ARG 22 HE ARG 22 -1.869 6.086 -2.512 176 1HH1 ARG 22 1HH1 ARG 22 -5.305 6.913 -2.398 177 2HH1 ARG 22 2HH1 ARG 22 -5.777 5.339 -1.921 178 1HH2 ARG 22 1HH2 ARG 22 -2.505 3.991 -2.146 179 2HH2 ARG 22 2HH2 ARG 22 -4.153 3.610 -1.757 180 H ALA 23 H ALA 23 1.229 7.665 0.329 181 HA ALA 23 HA ALA 23 2.025 9.585 -1.735 182 1HB ALA 23 1HB ALA 23 3.877 8.643 0.439 183 2HB ALA 23 2HB ALA 23 3.240 10.279 0.272 184 3HB ALA 23 3HB ALA 23 4.350 9.631 -0.940 185 H GLY 24 H GLY 24 1.391 8.054 -3.207 186 1HA GLY 24 1HA GLY 24 2.843 5.521 -3.127 187 2HA GLY 24 2HA GLY 24 1.344 5.805 -3.994 188 H PHE 25 H PHE 25 4.738 6.495 -3.880 189 HA PHE 25 HA PHE 25 4.766 7.672 -6.511 190 1HB PHE 25 1HB PHE 25 7.040 6.644 -4.783 191 2HB PHE 25 2HB PHE 25 7.238 7.543 -6.279 192 HD1 PHE 25 HD1 PHE 25 6.834 9.908 -6.358 193 HD2 PHE 25 HD2 PHE 25 6.348 7.719 -2.753 194 HE1 PHE 25 HE1 PHE 25 6.859 12.011 -5.090 195 HE2 PHE 25 HE2 PHE 25 6.367 9.815 -1.477 196 HZ PHE 25 HZ PHE 25 6.622 11.965 -2.644 197 H ARG 26 H ARG 26 6.153 4.686 -5.191 198 HA ARG 26 HA ARG 26 6.446 3.727 -7.918 199 1HB ARG 26 1HB ARG 26 7.121 2.357 -5.323 200 2HB ARG 26 2HB ARG 26 7.329 1.620 -6.896 201 1HG ARG 26 1HG ARG 26 9.412 2.344 -6.294 202 2HG ARG 26 2HG ARG 26 8.861 3.587 -7.423 203 1HD ARG 26 1HD ARG 26 8.170 4.916 -5.413 204 2HD ARG 26 2HD ARG 26 8.972 3.700 -4.426 205 HE ARG 26 HE ARG 26 10.499 5.036 -6.515 206 1HH1 ARG 26 1HH1 ARG 26 10.154 4.310 -3.058 207 2HH1 ARG 26 2HH1 ARG 26 11.430 5.309 -2.582 208 1HH2 ARG 26 1HH2 ARG 26 12.281 6.323 -5.874 209 2HH2 ARG 26 2HH2 ARG 26 12.701 6.481 -4.218 210 H GLU 27 H GLU 27 4.533 3.036 -5.148 211 HA GLU 27 HA GLU 27 3.282 0.775 -6.350 212 1HB GLU 27 1HB GLU 27 3.096 2.113 -3.791 213 2HB GLU 27 2HB GLU 27 1.655 1.208 -4.296 214 1HG GLU 27 1HG GLU 27 2.908 -0.751 -4.381 215 2HG GLU 27 2HG GLU 27 4.431 0.135 -4.225 216 H CYS 28 H CYS 28 2.807 3.997 -6.985 217 HA CYS 28 HA CYS 28 0.064 4.208 -7.143 218 1HB CYS 28 1HB CYS 28 1.534 6.087 -7.742 219 2HB CYS 28 2HB CYS 28 2.042 5.242 -9.197 220 HG CYS 28 HG CYS 28 -0.993 5.190 -9.704 221 H ALA 29 H ALA 29 2.269 2.641 -9.448 222 HA ALA 29 HA ALA 29 0.258 1.847 -11.296 223 1HB ALA 29 1HB ALA 29 2.965 0.618 -10.815 224 2HB ALA 29 2HB ALA 29 2.650 1.972 -11.898 225 3HB ALA 29 3HB ALA 29 1.946 0.391 -12.236 226 H ALA 30 H ALA 30 1.682 0.377 -8.520 227 HA ALA 30 HA ALA 30 0.451 -2.109 -8.714 228 1HB ALA 30 1HB ALA 30 0.966 -2.392 -6.397 229 2HB ALA 30 2HB ALA 30 1.116 -0.651 -6.184 230 3HB ALA 30 3HB ALA 30 2.298 -1.514 -7.163 231 H MET 31 H MET 31 -0.493 0.784 -6.914 232 HA MET 31 HA MET 31 -2.708 -0.172 -5.605 233 1HB MET 31 1HB MET 31 -3.400 1.984 -5.118 234 2HB MET 31 2HB MET 31 -1.675 2.155 -5.352 235 1HG MET 31 1HG MET 31 -1.951 3.234 -7.423 236 2HG MET 31 2HG MET 31 -3.629 2.721 -7.555 237 1HE MET 31 1HE MET 31 -5.348 4.932 -4.813 238 2HE MET 31 2HE MET 31 -4.612 3.380 -4.471 239 3HE MET 31 3HE MET 31 -5.551 3.603 -5.952 240 H ILE 32 H ILE 32 -2.581 0.829 -8.921 241 HA ILE 32 HA ILE 32 -5.360 1.068 -9.296 242 HB ILE 32 HB ILE 32 -3.107 0.443 -11.199 243 1HG1 ILE 32 1HG1 ILE 32 -2.878 2.623 -10.179 244 2HG1 ILE 32 2HG1 ILE 32 -3.296 2.808 -11.876 245 1HG2 ILE 32 1HG2 ILE 32 -5.191 -0.322 -12.211 246 2HG2 ILE 32 2HG2 ILE 32 -4.643 1.142 -13.033 247 3HG2 ILE 32 3HG2 ILE 32 -5.959 1.227 -11.863 248 1HD1 ILE 32 1HD1 ILE 32 -5.165 3.145 -9.532 249 2HD1 ILE 32 2HD1 ILE 32 -5.617 3.288 -11.229 250 3HD1 ILE 32 3HD1 ILE 32 -4.471 4.427 -10.525 251 H GLU 33 H GLU 33 -3.174 -1.627 -9.819 252 HA GLU 33 HA GLU 33 -5.425 -3.317 -10.489 253 1HB GLU 33 1HB GLU 33 -2.468 -3.975 -10.384 254 2HB GLU 33 2HB GLU 33 -3.750 -4.919 -11.137 255 1HG GLU 33 1HG GLU 33 -4.183 -3.193 -12.760 256 2HG GLU 33 2HG GLU 33 -3.022 -2.136 -11.975 257 H LYS 34 H LYS 34 -3.551 -2.446 -7.833 258 HA LYS 34 HA LYS 34 -3.743 -4.698 -6.108 259 1HB LYS 34 1HB LYS 34 -2.467 -2.251 -6.173 260 2HB LYS 34 2HB LYS 34 -3.733 -1.956 -4.999 261 1HG LYS 34 1HG LYS 34 -2.864 -3.509 -3.514 262 2HG LYS 34 2HG LYS 34 -1.864 -4.276 -4.756 263 1HD LYS 34 1HD LYS 34 -0.371 -2.991 -3.409 264 2HD LYS 34 2HD LYS 34 -0.579 -2.116 -4.920 265 1HE LYS 34 1HE LYS 34 -2.221 -0.598 -3.751 266 2HE LYS 34 2HE LYS 34 -1.892 -1.459 -2.260 267 1HZ LYS 34 1HZ LYS 34 0.456 -0.609 -2.325 268 2HZ LYS 34 2HZ LYS 34 -0.606 0.679 -2.477 269 3HZ LYS 34 3HZ LYS 34 0.137 0.097 -3.803 270 H LYS 35 H LYS 35 -5.748 -2.025 -7.036 271 HA LYS 35 HA LYS 35 -7.687 -2.592 -5.029 272 1HB LYS 35 1HB LYS 35 -7.212 -0.250 -5.705 273 2HB LYS 35 2HB LYS 35 -7.808 -0.595 -7.316 274 1HG LYS 35 1HG LYS 35 -9.627 -1.030 -4.989 275 2HG LYS 35 2HG LYS 35 -9.313 0.617 -5.524 276 1HD LYS 35 1HD LYS 35 -10.258 0.207 -7.647 277 2HD LYS 35 2HD LYS 35 -10.187 -1.540 -7.424 278 1HE LYS 35 1HE LYS 35 -11.901 0.289 -5.753 279 2HE LYS 35 2HE LYS 35 -12.467 -0.521 -7.215 280 1HZ LYS 35 1HZ LYS 35 -12.067 -2.642 -6.196 281 2HZ LYS 35 2HZ LYS 35 -13.036 -1.743 -5.157 282 3HZ LYS 35 3HZ LYS 35 -11.406 -1.951 -4.815 283 H ALA 36 H ALA 36 -6.968 -3.774 -8.121 284 HA ALA 36 HA ALA 36 -9.621 -4.363 -9.007 285 1HB ALA 36 1HB ALA 36 -7.013 -5.678 -9.805 286 2HB ALA 36 2HB ALA 36 -7.744 -4.284 -10.598 287 3HB ALA 36 3HB ALA 36 -8.550 -5.852 -10.650 288 H ARG 37 H ARG 37 -7.092 -6.260 -7.453 289 HA ARG 37 HA ARG 37 -9.002 -7.659 -5.865 290 1HB ARG 37 1HB ARG 37 -9.051 -8.958 -8.042 291 2HB ARG 37 2HB ARG 37 -7.355 -9.335 -7.754 292 1HG ARG 37 1HG ARG 37 -8.075 -10.339 -5.557 293 2HG ARG 37 2HG ARG 37 -9.733 -10.185 -6.132 294 1HD ARG 37 1HD ARG 37 -7.506 -11.827 -7.322 295 2HD ARG 37 2HD ARG 37 -9.007 -12.401 -6.610 296 HE ARG 37 HE ARG 37 -8.800 -10.927 -9.148 297 1HH1 ARG 37 1HH1 ARG 37 -10.526 -13.248 -7.080 298 2HH1 ARG 37 2HH1 ARG 37 -11.518 -13.818 -8.322 299 1HH2 ARG 37 1HH2 ARG 37 -10.183 -11.754 -10.874 300 2HH2 ARG 37 2HH2 ARG 37 -11.355 -12.921 -10.485 301 H ARG 38 H ARG 38 -5.817 -8.528 -7.156 302 HA ARG 38 HA ARG 38 -4.529 -7.645 -4.811 303 1HB ARG 38 1HB ARG 38 -3.653 -9.864 -4.088 304 2HB ARG 38 2HB ARG 38 -5.400 -9.756 -3.957 305 1HG ARG 38 1HG ARG 38 -5.739 -11.104 -5.842 306 2HG ARG 38 2HG ARG 38 -4.015 -11.092 -6.231 307 1HD ARG 38 1HD ARG 38 -4.676 -13.151 -5.148 308 2HD ARG 38 2HD ARG 38 -3.524 -12.231 -4.173 309 HE ARG 38 HE ARG 38 -6.041 -11.492 -3.314 310 1HH1 ARG 38 1HH1 ARG 38 -4.280 -14.563 -3.451 311 2HH1 ARG 38 2HH1 ARG 38 -4.984 -15.171 -2.015 312 1HH2 ARG 38 1HH2 ARG 38 -6.944 -12.295 -1.358 313 2HH2 ARG 38 2HH2 ARG 38 -6.551 -13.849 -0.793 314 H VAL 39 H VAL 39 -2.642 -6.885 -5.583 315 HA VAL 39 HA VAL 39 -1.345 -8.355 -7.731 316 HB VAL 39 HB VAL 39 -2.157 -5.467 -7.781 317 1HG1 VAL 39 1HG1 VAL 39 -0.058 -6.746 -9.583 318 2HG1 VAL 39 2HG1 VAL 39 0.260 -5.494 -8.386 319 3HG1 VAL 39 3HG1 VAL 39 -0.729 -5.129 -9.798 320 1HG2 VAL 39 1HG2 VAL 39 -2.841 -6.124 -10.093 321 2HG2 VAL 39 2HG2 VAL 39 -3.702 -6.942 -8.791 322 3HG2 VAL 39 3HG2 VAL 39 -2.426 -7.779 -9.672 323 H VAL 40 H VAL 40 0.790 -8.126 -7.858 324 HA VAL 40 HA VAL 40 2.033 -7.030 -5.469 325 HB VAL 40 HB VAL 40 2.391 -9.479 -5.691 326 1HG1 VAL 40 1HG1 VAL 40 3.809 -8.845 -8.266 327 2HG1 VAL 40 2HG1 VAL 40 2.262 -9.663 -8.107 328 3HG1 VAL 40 3HG1 VAL 40 3.729 -10.428 -7.491 329 1HG2 VAL 40 1HG2 VAL 40 4.166 -8.182 -4.602 330 2HG2 VAL 40 2HG2 VAL 40 4.946 -7.938 -6.163 331 3HG2 VAL 40 3HG2 VAL 40 4.834 -9.559 -5.481 332 H HIS 41 H HIS 41 3.963 -5.711 -5.742 333 HA HIS 41 HA HIS 41 4.494 -4.948 -8.520 334 1HB HIS 41 1HB HIS 41 3.008 -3.382 -7.035 335 2HB HIS 41 2HB HIS 41 4.537 -2.963 -6.281 336 HD1 HIS 41 HD1 HIS 41 6.078 -1.249 -7.641 337 HD2 HIS 41 HD2 HIS 41 2.699 -2.544 -9.721 338 HE1 HIS 41 HE1 HIS 41 5.847 0.194 -9.673 339 H ILE 42 H ILE 42 6.610 -5.091 -8.896 340 HA ILE 42 HA ILE 42 8.380 -5.503 -6.667 341 HB ILE 42 HB ILE 42 8.770 -6.865 -8.718 342 1HG1 ILE 42 1HG1 ILE 42 11.030 -4.896 -8.284 343 2HG1 ILE 42 2HG1 ILE 42 10.719 -6.316 -7.298 344 1HG2 ILE 42 1HG2 ILE 42 7.959 -5.374 -10.420 345 2HG2 ILE 42 2HG2 ILE 42 9.622 -5.833 -10.798 346 3HG2 ILE 42 3HG2 ILE 42 9.279 -4.248 -10.111 347 1HD1 ILE 42 1HD1 ILE 42 11.173 -7.747 -9.234 348 2HD1 ILE 42 2HD1 ILE 42 12.541 -6.701 -8.861 349 3HD1 ILE 42 3HD1 ILE 42 11.481 -6.313 -10.215 350 H LYS 43 H LYS 43 9.813 -3.959 -5.902 351 HA LYS 43 HA LYS 43 10.521 -1.919 -5.375 352 1HB LYS 43 1HB LYS 43 10.288 -1.418 -8.354 353 2HB LYS 43 2HB LYS 43 10.746 -0.135 -7.249 354 1HG LYS 43 1HG LYS 43 12.680 -1.526 -6.551 355 2HG LYS 43 2HG LYS 43 12.229 -2.690 -7.797 356 1HD LYS 43 1HD LYS 43 12.544 -1.043 -9.525 357 2HD LYS 43 2HD LYS 43 12.828 0.218 -8.324 358 1HE LYS 43 1HE LYS 43 14.833 -0.983 -7.565 359 2HE LYS 43 2HE LYS 43 14.548 -2.214 -8.794 360 1HZ LYS 43 1HZ LYS 43 16.199 -0.575 -9.492 361 2HZ LYS 43 2HZ LYS 43 15.101 0.653 -9.284 362 3HZ LYS 43 3HZ LYS 43 14.836 -0.495 -10.496 363 HA PRO 44 HA PRO 44 6.352 -0.214 -5.185 364 1HB PRO 44 1HB PRO 44 5.518 -1.315 -2.897 365 2HB PRO 44 2HB PRO 44 5.458 -2.207 -4.419 366 1HG PRO 44 1HG PRO 44 7.262 -2.546 -2.114 367 2HG PRO 44 2HG PRO 44 6.787 -3.720 -3.349 368 1HD PRO 44 1HD PRO 44 9.172 -2.183 -3.218 369 2HD PRO 44 2HD PRO 44 8.648 -3.340 -4.462 370 H GLY 45 H GLY 45 5.721 1.561 -3.915 371 1HA GLY 45 1HA GLY 45 7.174 2.228 -1.560 372 2HA GLY 45 2HA GLY 45 7.670 3.177 -2.949 373 H GLU 46 H GLU 46 4.653 2.068 -1.487 374 HA GLU 46 HA GLU 46 3.773 4.815 -1.651 375 1HB GLU 46 1HB GLU 46 2.339 3.607 -3.000 376 2HB GLU 46 2HB GLU 46 2.239 2.247 -1.881 377 1HG GLU 46 1HG GLU 46 0.861 3.547 -0.433 378 2HG GLU 46 2HG GLU 46 1.118 4.988 -1.420 379 H LYS 47 H LYS 47 3.845 5.851 0.037 380 HA LYS 47 HA LYS 47 3.760 4.575 2.624 381 1HB LYS 47 1HB LYS 47 4.437 7.351 1.758 382 2HB LYS 47 2HB LYS 47 4.492 6.764 3.411 383 1HG LYS 47 1HG LYS 47 6.223 5.413 3.064 384 2HG LYS 47 2HG LYS 47 6.026 5.340 1.299 385 1HD LYS 47 1HD LYS 47 6.823 7.649 2.952 386 2HD LYS 47 2HD LYS 47 7.935 6.591 2.019 387 1HE LYS 47 1HE LYS 47 6.710 7.336 -0.043 388 2HE LYS 47 2HE LYS 47 5.769 8.433 0.956 389 1HZ LYS 47 1HZ LYS 47 8.662 8.619 0.357 390 2HZ LYS 47 2HZ LYS 47 7.922 9.373 1.671 391 3HZ LYS 47 3HZ LYS 47 7.453 9.815 0.162 392 H ILE 48 H ILE 48 1.870 4.189 2.397 393 HA ILE 48 HA ILE 48 -0.150 6.263 2.248 394 HB ILE 48 HB ILE 48 -1.738 4.303 2.772 395 1HG1 ILE 48 1HG1 ILE 48 0.596 2.769 1.594 396 2HG1 ILE 48 2HG1 ILE 48 -0.064 2.582 3.211 397 1HG2 ILE 48 1HG2 ILE 48 -2.100 5.460 0.900 398 2HG2 ILE 48 2HG2 ILE 48 -1.914 3.802 0.319 399 3HG2 ILE 48 3HG2 ILE 48 -0.593 4.962 0.141 400 1HD1 ILE 48 1HD1 ILE 48 -0.771 0.777 1.742 401 2HD1 ILE 48 2HD1 ILE 48 -1.499 1.946 0.638 402 3HD1 ILE 48 3HD1 ILE 48 -2.150 1.743 2.265 403 H LEU 49 H LEU 49 -0.245 7.417 4.034 404 HA LEU 49 HA LEU 49 -0.908 8.010 6.127 405 1HB LEU 49 1HB LEU 49 -1.616 5.100 6.453 406 2HB LEU 49 2HB LEU 49 -1.966 6.346 7.611 407 HG LEU 49 HG LEU 49 -3.674 7.276 6.111 408 1HD1 LEU 49 1HD1 LEU 49 -2.623 6.724 3.943 409 2HD1 LEU 49 2HD1 LEU 49 -4.307 6.222 4.089 410 3HD1 LEU 49 3HD1 LEU 49 -3.018 5.028 4.242 411 1HD2 LEU 49 1HD2 LEU 49 -3.810 4.314 6.436 412 2HD2 LEU 49 2HD2 LEU 49 -5.179 5.398 6.196 413 3HD2 LEU 49 3HD2 LEU 49 -4.203 5.514 7.660 414 H GLY 50 H GLY 50 1.405 5.589 5.622 415 1HA GLY 50 1HA GLY 50 3.387 5.222 6.824 416 2HA GLY 50 2HA GLY 50 2.707 6.140 8.174 417 H ALA 51 H ALA 51 0.232 4.300 7.271 418 HA ALA 51 HA ALA 51 0.809 1.779 8.496 419 1HB ALA 51 1HB ALA 51 -1.112 3.752 9.752 420 2HB ALA 51 2HB ALA 51 0.392 3.183 10.472 421 3HB ALA 51 3HB ALA 51 -0.942 2.058 10.211 422 H ARG 52 H ARG 52 -0.762 0.312 7.793 423 HA ARG 52 HA ARG 52 -2.426 1.292 5.622 424 1HB ARG 52 1HB ARG 52 -2.084 -1.514 6.675 425 2HB ARG 52 2HB ARG 52 -2.906 -1.068 5.193 426 1HG ARG 52 1HG ARG 52 -0.857 -0.344 4.181 427 2HG ARG 52 2HG ARG 52 0.016 -0.545 5.702 428 1HD ARG 52 1HD ARG 52 -1.269 -2.745 4.076 429 2HD ARG 52 2HD ARG 52 0.461 -2.427 4.227 430 HE ARG 52 HE ARG 52 -0.950 -2.830 6.690 431 1HH1 ARG 52 1HH1 ARG 52 0.984 -4.469 4.134 432 2HH1 ARG 52 2HH1 ARG 52 1.413 -5.764 5.160 433 1HH2 ARG 52 1HH2 ARG 52 -0.322 -4.719 8.007 434 2HH2 ARG 52 2HH2 ARG 52 0.629 -5.952 7.296 435 H ILE 53 H ILE 53 -4.245 2.311 6.348 436 HA ILE 53 HA ILE 53 -5.940 0.824 8.204 437 HB ILE 53 HB ILE 53 -5.722 3.861 8.027 438 1HG1 ILE 53 1HG1 ILE 53 -4.723 2.046 10.250 439 2HG1 ILE 53 2HG1 ILE 53 -3.689 2.833 9.064 440 1HG2 ILE 53 1HG2 ILE 53 -7.136 3.825 10.047 441 2HG2 ILE 53 2HG2 ILE 53 -7.232 2.068 9.939 442 3HG2 ILE 53 3HG2 ILE 53 -7.935 3.068 8.667 443 1HD1 ILE 53 1HD1 ILE 53 -4.373 5.015 9.920 444 2HD1 ILE 53 2HD1 ILE 53 -3.684 4.012 11.198 445 3HD1 ILE 53 3HD1 ILE 53 -5.431 4.227 11.088 446 H ILE 54 H ILE 54 -7.475 0.119 6.918 447 HA ILE 54 HA ILE 54 -8.113 1.253 4.382 448 HB ILE 54 HB ILE 54 -9.626 -0.818 6.028 449 1HG1 ILE 54 1HG1 ILE 54 -8.652 -2.470 4.322 450 2HG1 ILE 54 2HG1 ILE 54 -7.537 -1.198 3.869 451 1HG2 ILE 54 1HG2 ILE 54 -11.056 0.208 4.378 452 2HG2 ILE 54 2HG2 ILE 54 -10.740 -1.480 3.985 453 3HG2 ILE 54 3HG2 ILE 54 -9.911 -0.198 3.102 454 1HD1 ILE 54 1HD1 ILE 54 -6.527 -2.824 5.376 455 2HD1 ILE 54 2HD1 ILE 54 -7.744 -2.462 6.602 456 3HD1 ILE 54 3HD1 ILE 54 -6.584 -1.226 6.112 457 H GLY 55 H GLY 55 -9.382 1.258 7.512 458 1HA GLY 55 1HA GLY 55 -10.728 2.949 8.559 459 2HA GLY 55 2HA GLY 55 -11.237 3.481 6.955 460 H ILE 56 H ILE 56 -11.663 0.883 6.049 461 HA ILE 56 HA ILE 56 -14.297 0.344 7.151 462 HB ILE 56 HB ILE 56 -12.968 -0.708 4.591 463 1HG1 ILE 56 1HG1 ILE 56 -15.057 1.446 4.994 464 2HG1 ILE 56 2HG1 ILE 56 -13.375 1.722 4.563 465 1HG2 ILE 56 1HG2 ILE 56 -15.182 -1.469 3.955 466 2HG2 ILE 56 2HG2 ILE 56 -15.837 -0.904 5.492 467 3HG2 ILE 56 3HG2 ILE 56 -14.677 -2.231 5.469 468 1HD1 ILE 56 1HD1 ILE 56 -14.817 1.906 2.639 469 2HD1 ILE 56 2HD1 ILE 56 -15.415 0.267 2.905 470 3HD1 ILE 56 3HD1 ILE 56 -13.725 0.533 2.467 471 HA PRO 57 HA PRO 57 -12.451 -3.268 9.132 472 1HB PRO 57 1HB PRO 57 -15.127 -4.414 9.364 473 2HB PRO 57 2HB PRO 57 -14.064 -3.826 10.640 474 1HG PRO 57 1HG PRO 57 -16.345 -2.559 9.913 475 2HG PRO 57 2HG PRO 57 -14.935 -1.703 10.569 476 1HD PRO 57 1HD PRO 57 -15.878 -1.976 7.753 477 2HD PRO 57 2HD PRO 57 -15.193 -0.571 8.603 478 HA PRO 58 HA PRO 58 -12.898 -6.075 5.560 479 1HB PRO 58 1HB PRO 58 -10.324 -6.322 5.042 480 2HB PRO 58 2HB PRO 58 -11.142 -4.790 4.718 481 1HG PRO 58 1HG PRO 58 -9.176 -5.446 6.828 482 2HG PRO 58 2HG PRO 58 -9.595 -3.873 6.134 483 1HD PRO 58 1HD PRO 58 -10.595 -5.101 8.576 484 2HD PRO 58 2HD PRO 58 -10.878 -3.461 7.942 485 H VAL 59 H VAL 59 -11.278 -8.040 5.151 486 HA VAL 59 HA VAL 59 -11.620 -9.799 7.387 487 HB VAL 59 HB VAL 59 -10.246 -10.263 4.720 488 1HG1 VAL 59 1HG1 VAL 59 -9.475 -11.864 6.395 489 2HG1 VAL 59 2HG1 VAL 59 -10.511 -12.673 5.219 490 3HG1 VAL 59 3HG1 VAL 59 -11.141 -12.258 6.813 491 1HG2 VAL 59 1HG2 VAL 59 -13.016 -11.022 5.635 492 2HG2 VAL 59 2HG2 VAL 59 -12.299 -11.427 4.074 493 3HG2 VAL 59 3HG2 VAL 59 -12.616 -9.741 4.494 494 HA PRO 60 HA PRO 60 -7.624 -8.451 8.958 495 1HB PRO 60 1HB PRO 60 -7.858 -9.465 11.404 496 2HB PRO 60 2HB PRO 60 -8.895 -8.136 10.870 497 1HG PRO 60 1HG PRO 60 -9.502 -11.063 10.995 498 2HG PRO 60 2HG PRO 60 -10.493 -9.710 11.560 499 1HD PRO 60 1HD PRO 60 -10.841 -10.962 9.157 500 2HD PRO 60 2HD PRO 60 -11.277 -9.264 9.452 501 H ILE 61 H ILE 61 -7.332 -10.644 7.206 502 HA ILE 61 HA ILE 61 -5.648 -12.432 8.810 503 HB ILE 61 HB ILE 61 -7.009 -13.011 6.131 504 1HG1 ILE 61 1HG1 ILE 61 -7.569 -14.153 8.879 505 2HG1 ILE 61 2HG1 ILE 61 -8.568 -12.965 8.061 506 1HG2 ILE 61 1HG2 ILE 61 -5.387 -14.864 7.898 507 2HG2 ILE 61 2HG2 ILE 61 -4.846 -14.188 6.365 508 3HG2 ILE 61 3HG2 ILE 61 -6.205 -15.314 6.400 509 1HD1 ILE 61 1HD1 ILE 61 -8.057 -15.792 7.145 510 2HD1 ILE 61 2HD1 ILE 61 -9.066 -14.606 6.311 511 3HD1 ILE 61 3HD1 ILE 61 -9.530 -15.189 7.909 512 H GLY 62 H GLY 62 -3.508 -12.963 7.735 513 1HA GLY 62 1HA GLY 62 -2.685 -12.005 5.305 514 2HA GLY 62 2HA GLY 62 -2.484 -10.658 6.420 515 H ILE 63 H ILE 63 -0.513 -11.968 4.891 516 HA ILE 63 HA ILE 63 1.118 -12.864 7.100 517 HB ILE 63 HB ILE 63 2.399 -14.279 5.527 518 1HG1 ILE 63 1HG1 ILE 63 0.004 -13.997 3.688 519 2HG1 ILE 63 2HG1 ILE 63 1.599 -13.325 3.392 520 1HG2 ILE 63 1HG2 ILE 63 -0.468 -15.042 6.011 521 2HG2 ILE 63 2HG2 ILE 63 0.894 -15.300 7.104 522 3HG2 ILE 63 3HG2 ILE 63 0.802 -16.179 5.575 523 1HD1 ILE 63 1HD1 ILE 63 0.932 -16.255 3.581 524 2HD1 ILE 63 2HD1 ILE 63 2.530 -15.578 3.264 525 3HD1 ILE 63 3HD1 ILE 63 1.228 -15.350 2.096 526 H ASP 64 H ASP 64 2.082 -10.974 7.448 527 HA ASP 64 HA ASP 64 3.453 -9.639 5.263 528 1HB ASP 64 1HB ASP 64 3.244 -8.985 8.229 529 2HB ASP 64 2HB ASP 64 4.304 -8.110 7.140 530 H GLU 65 H GLU 65 5.050 -10.975 4.597 531 HA GLU 65 HA GLU 65 6.577 -12.509 6.436 532 1HB GLU 65 1HB GLU 65 6.947 -11.960 3.504 533 2HB GLU 65 2HB GLU 65 7.869 -13.137 4.430 534 1HG GLU 65 1HG GLU 65 4.892 -13.176 4.012 535 2HG GLU 65 2HG GLU 65 6.069 -14.182 3.166 536 H GLU 66 H GLU 66 7.392 -9.860 4.252 537 HA GLU 66 HA GLU 66 9.152 -8.610 6.037 538 1HB GLU 66 1HB GLU 66 10.283 -10.830 4.990 539 2HB GLU 66 2HB GLU 66 10.506 -9.762 3.618 540 1HG GLU 66 1HG GLU 66 11.428 -8.979 6.329 541 2HG GLU 66 2HG GLU 66 12.408 -10.046 5.309 542 H ARG 67 H ARG 67 10.174 -6.795 4.571 543 HA ARG 67 HA ARG 67 7.965 -5.892 2.950 544 1HB ARG 67 1HB ARG 67 9.477 -4.590 4.713 545 2HB ARG 67 2HB ARG 67 10.409 -4.224 3.270 546 1HG ARG 67 1HG ARG 67 7.476 -3.622 3.655 547 2HG ARG 67 2HG ARG 67 8.800 -2.471 3.832 548 1HD ARG 67 1HD ARG 67 9.269 -2.486 1.547 549 2HD ARG 67 2HD ARG 67 8.340 -3.958 1.269 550 HE ARG 67 HE ARG 67 6.411 -2.361 2.105 551 1HH1 ARG 67 1HH1 ARG 67 9.005 -1.471 -0.101 552 2HH1 ARG 67 2HH1 ARG 67 8.051 -0.478 -1.103 553 1HH2 ARG 67 1HH2 ARG 67 5.015 -0.995 0.735 554 2HH2 ARG 67 2HH2 ARG 67 5.599 -0.256 -0.616 555 H SER 68 H SER 68 11.271 -6.835 2.720 556 HA SER 68 HA SER 68 11.377 -6.327 -0.111 557 1HB SER 68 1HB SER 68 13.399 -7.454 1.813 558 2HB SER 68 2HB SER 68 13.724 -6.821 0.186 559 HG SER 68 HG SER 68 13.838 -4.978 1.015 560 H THR 69 H THR 69 9.557 -8.153 0.888 561 HA THR 69 HA THR 69 10.113 -10.475 -0.713 562 HB THR 69 HB THR 69 9.310 -10.751 2.226 563 HG1 THR 69 HG1 THR 69 11.727 -10.487 1.077 564 1HG2 THR 69 1HG2 THR 69 8.456 -12.568 0.788 565 2HG2 THR 69 2HG2 THR 69 9.705 -13.162 1.881 566 3HG2 THR 69 3HG2 THR 69 10.089 -12.857 0.187 567 H VAL 70 H VAL 70 7.854 -11.720 -0.751 568 HA VAL 70 HA VAL 70 5.936 -9.677 -1.272 569 HB VAL 70 HB VAL 70 4.442 -11.607 -2.006 570 1HG1 VAL 70 1HG1 VAL 70 5.702 -10.284 -3.590 571 2HG1 VAL 70 2HG1 VAL 70 5.701 -11.979 -4.082 572 3HG1 VAL 70 3HG1 VAL 70 7.131 -11.281 -3.321 573 1HG2 VAL 70 1HG2 VAL 70 5.510 -13.395 -0.719 574 2HG2 VAL 70 2HG2 VAL 70 6.996 -13.191 -1.647 575 3HG2 VAL 70 3HG2 VAL 70 5.528 -13.761 -2.443 576 H MET 71 H MET 71 4.938 -8.790 0.297 577 HA MET 71 HA MET 71 3.993 -10.419 2.507 578 1HB MET 71 1HB MET 71 3.191 -8.324 3.535 579 2HB MET 71 2HB MET 71 4.872 -8.160 3.059 580 1HG MET 71 1HG MET 71 4.207 -6.847 1.119 581 2HG MET 71 2HG MET 71 2.510 -7.078 1.526 582 1HE MET 71 1HE MET 71 5.461 -4.636 4.097 583 2HE MET 71 2HE MET 71 5.902 -5.466 2.605 584 3HE MET 71 3HE MET 71 5.479 -6.398 4.044 585 H ILE 72 H ILE 72 2.019 -11.270 2.551 586 HA ILE 72 HA ILE 72 0.155 -10.267 0.530 587 HB ILE 72 HB ILE 72 0.422 -13.185 1.357 588 1HG1 ILE 72 1HG1 ILE 72 1.230 -11.866 -1.254 589 2HG1 ILE 72 2HG1 ILE 72 2.357 -12.375 -0.004 590 1HG2 ILE 72 1HG2 ILE 72 -1.852 -12.570 0.702 591 2HG2 ILE 72 2HG2 ILE 72 -1.120 -13.608 -0.521 592 3HG2 ILE 72 3HG2 ILE 72 -1.249 -11.873 -0.801 593 1HD1 ILE 72 1HD1 ILE 72 1.667 -14.698 -0.352 594 2HD1 ILE 72 2HD1 ILE 72 2.278 -13.965 -1.836 595 3HD1 ILE 72 3HD1 ILE 72 0.542 -14.169 -1.602 596 HA PRO 73 HA PRO 73 -1.975 -10.169 4.491 597 1HB PRO 73 1HB PRO 73 -3.131 -7.619 3.764 598 2HB PRO 73 2HB PRO 73 -1.923 -7.938 5.010 599 1HG PRO 73 1HG PRO 73 -1.426 -6.537 2.677 600 2HG PRO 73 2HG PRO 73 -0.189 -7.347 3.652 601 1HD PRO 73 1HD PRO 73 -1.539 -8.278 1.153 602 2HD PRO 73 2HD PRO 73 0.156 -8.460 1.659 603 H TYR 74 H TYR 74 -3.888 -11.285 4.465 604 HA TYR 74 HA TYR 74 -5.459 -11.304 2.042 605 1HB TYR 74 1HB TYR 74 -5.676 -13.038 4.519 606 2HB TYR 74 2HB TYR 74 -6.593 -13.262 3.037 607 HD1 TYR 74 HD1 TYR 74 -5.409 -14.047 0.970 608 HD2 TYR 74 HD2 TYR 74 -3.452 -13.829 4.741 609 HE1 TYR 74 HE1 TYR 74 -3.630 -15.531 0.137 610 HE2 TYR 74 HE2 TYR 74 -1.681 -15.300 3.919 611 HH TYR 74 HH TYR 74 -1.406 -16.988 2.234 612 H THR 75 H THR 75 -5.747 -9.063 2.839 613 HA THR 75 HA THR 75 -8.015 -8.839 4.624 614 HB THR 75 HB THR 75 -7.525 -6.430 4.500 615 HG1 THR 75 HG1 THR 75 -6.301 -6.836 2.393 616 1HG2 THR 75 1HG2 THR 75 -5.177 -8.137 5.337 617 2HG2 THR 75 2HG2 THR 75 -6.566 -7.710 6.337 618 3HG2 THR 75 3HG2 THR 75 -5.427 -6.463 5.827 619 H LYS 76 H LYS 76 -9.916 -8.734 3.651 620 HA LYS 76 HA LYS 76 -10.008 -7.938 0.838 621 1HB LYS 76 1HB LYS 76 -10.809 -10.218 1.261 622 2HB LYS 76 2HB LYS 76 -11.950 -9.610 2.450 623 1HG LYS 76 1HG LYS 76 -13.083 -8.348 0.640 624 2HG LYS 76 2HG LYS 76 -11.986 -9.100 -0.521 625 1HD LYS 76 1HD LYS 76 -12.799 -11.310 0.131 626 2HD LYS 76 2HD LYS 76 -13.874 -10.575 1.319 627 1HE LYS 76 1HE LYS 76 -13.986 -10.154 -1.668 628 2HE LYS 76 2HE LYS 76 -15.066 -11.187 -0.736 629 1HZ LYS 76 1HZ LYS 76 -14.811 -8.237 -0.503 630 2HZ LYS 76 2HZ LYS 76 -15.830 -9.170 0.448 631 3HZ LYS 76 3HZ LYS 76 -16.075 -9.064 -1.217 632 HA PRO 77 HA PRO 77 -12.497 -4.528 2.628 633 1HB PRO 77 1HB PRO 77 -10.862 -2.583 1.817 634 2HB PRO 77 2HB PRO 77 -10.502 -3.496 3.284 635 1HG PRO 77 1HG PRO 77 -9.044 -3.457 0.779 636 2HG PRO 77 2HG PRO 77 -8.602 -4.244 2.302 637 1HD PRO 77 1HD PRO 77 -9.906 -5.385 -0.094 638 2HD PRO 77 2HD PRO 77 -9.003 -6.196 1.207 639 H CYS 78 H CYS 78 -12.872 -2.374 1.402 640 HA CYS 78 HA CYS 78 -14.141 -3.138 -0.994 641 1HB CYS 78 1HB CYS 78 -13.694 -0.572 0.430 642 2HB CYS 78 2HB CYS 78 -14.691 -0.682 -1.052 643 HG CYS 78 HG CYS 78 -16.289 -2.696 0.267 644 H TYR 79 H TYR 79 -11.045 -2.055 -0.208 645 HA TYR 79 HA TYR 79 -10.400 -0.913 -2.743 646 1HB TYR 79 1HB TYR 79 -9.290 -0.177 -0.713 647 2HB TYR 79 2HB TYR 79 -8.668 -1.784 -0.435 648 HD1 TYR 79 HD1 TYR 79 -8.337 1.267 -2.458 649 HD2 TYR 79 HD2 TYR 79 -6.675 -2.541 -1.563 650 HE1 TYR 79 HE1 TYR 79 -6.221 1.941 -3.502 651 HE2 TYR 79 HE2 TYR 79 -4.570 -1.881 -2.616 652 HH TYR 79 HH TYR 79 -3.928 1.338 -3.336 653 H GLY 80 H GLY 80 -8.557 -3.504 -1.138 654 1HA GLY 80 1HA GLY 80 -9.057 -5.701 -2.589 655 2HA GLY 80 2HA GLY 80 -7.941 -4.765 -3.590 656 H THR 81 H THR 81 -6.420 -6.522 -3.171 657 HA THR 81 HA THR 81 -5.260 -6.469 -0.487 658 HB THR 81 HB THR 81 -5.193 -8.499 -2.673 659 HG1 THR 81 HG1 THR 81 -6.766 -8.179 -0.371 660 1HG2 THR 81 1HG2 THR 81 -4.036 -8.679 0.116 661 2HG2 THR 81 2HG2 THR 81 -3.119 -8.613 -1.388 662 3HG2 THR 81 3HG2 THR 81 -4.125 -10.017 -1.028 663 H ALA 82 H ALA 82 -3.155 -5.940 -0.304 664 HA ALA 82 HA ALA 82 -1.736 -5.038 -2.729 665 1HB ALA 82 1HB ALA 82 -0.624 -3.457 -1.264 666 2HB ALA 82 2HB ALA 82 -1.474 -4.117 0.131 667 3HB ALA 82 3HB ALA 82 -2.374 -3.272 -1.128 668 H VAL 83 H VAL 83 -0.345 -6.501 -3.325 669 HA VAL 83 HA VAL 83 1.313 -7.747 -1.259 670 HB VAL 83 HB VAL 83 0.965 -8.585 -4.166 671 1HG1 VAL 83 1HG1 VAL 83 3.059 -9.304 -3.184 672 2HG1 VAL 83 2HG1 VAL 83 2.006 -10.697 -3.438 673 3HG1 VAL 83 3HG1 VAL 83 2.202 -10.017 -1.822 674 1HG2 VAL 83 1HG2 VAL 83 -1.171 -8.892 -3.038 675 2HG2 VAL 83 2HG2 VAL 83 -0.378 -9.778 -1.738 676 3HG2 VAL 83 3HG2 VAL 83 -0.425 -10.457 -3.365 677 H VAL 84 H VAL 84 3.340 -6.902 -1.224 678 HA VAL 84 HA VAL 84 4.308 -5.611 -3.672 679 HB VAL 84 HB VAL 84 5.014 -3.562 -2.482 680 1HG1 VAL 84 1HG1 VAL 84 2.179 -4.136 -1.817 681 2HG1 VAL 84 2HG1 VAL 84 2.816 -3.474 -3.321 682 3HG1 VAL 84 3HG1 VAL 84 2.963 -2.556 -1.823 683 1HG2 VAL 84 1HG2 VAL 84 3.880 -4.808 0.034 684 2HG2 VAL 84 2HG2 VAL 84 4.572 -3.192 -0.111 685 3HG2 VAL 84 3HG2 VAL 84 5.598 -4.612 -0.312 686 H GLU 85 H GLU 85 6.492 -5.786 -4.025 687 HA GLU 85 HA GLU 85 8.018 -7.175 -1.951 688 1HB GLU 85 1HB GLU 85 7.218 -8.809 -3.685 689 2HB GLU 85 2HB GLU 85 8.116 -7.888 -4.886 690 1HG GLU 85 1HG GLU 85 10.159 -8.259 -3.442 691 2HG GLU 85 2HG GLU 85 9.197 -9.431 -2.553 692 H LEU 86 H LEU 86 9.705 -5.965 -1.523 693 HA LEU 86 HA LEU 86 10.648 -4.104 -3.546 694 1HB LEU 86 1HB LEU 86 10.110 -3.307 -1.276 695 2HB LEU 86 2HB LEU 86 11.345 -4.358 -0.616 696 HG LEU 86 HG LEU 86 12.989 -3.043 -2.037 697 1HD1 LEU 86 1HD1 LEU 86 12.366 -0.794 -2.663 698 2HD1 LEU 86 2HD1 LEU 86 10.700 -1.121 -2.202 699 3HD1 LEU 86 3HD1 LEU 86 11.438 -2.005 -3.545 700 1HD2 LEU 86 1HD2 LEU 86 11.529 -1.644 0.204 701 2HD2 LEU 86 2HD2 LEU 86 13.134 -1.218 -0.383 702 3HD2 LEU 86 3HD2 LEU 86 12.862 -2.784 0.380 703 HA PRO 87 HA PRO 87 14.213 -6.913 -3.922 704 1HB PRO 87 1HB PRO 87 15.213 -5.941 -6.180 705 2HB PRO 87 2HB PRO 87 13.641 -6.751 -6.194 706 1HG PRO 87 1HG PRO 87 14.270 -3.842 -6.307 707 2HG PRO 87 2HG PRO 87 12.985 -4.747 -7.119 708 1HD PRO 87 1HD PRO 87 12.730 -3.256 -4.742 709 2HD PRO 87 2HD PRO 87 11.556 -4.415 -5.395 710 H VAL 88 H VAL 88 14.236 -4.507 -2.260 711 HA VAL 88 HA VAL 88 17.073 -3.833 -2.265 712 HB VAL 88 HB VAL 88 14.856 -1.855 -1.611 713 1HG1 VAL 88 1HG1 VAL 88 16.603 -0.144 -1.706 714 2HG1 VAL 88 2HG1 VAL 88 17.795 -1.413 -1.998 715 3HG1 VAL 88 3HG1 VAL 88 16.896 -1.377 -0.480 716 1HG2 VAL 88 1HG2 VAL 88 14.712 -2.250 -4.013 717 2HG2 VAL 88 2HG2 VAL 88 16.436 -1.924 -4.187 718 3HG2 VAL 88 3HG2 VAL 88 15.341 -0.632 -3.700 719 H ASP 89 H ASP 89 17.621 -3.371 0.013 720 HA ASP 89 HA ASP 89 16.249 -5.204 1.712 721 1HB ASP 89 1HB ASP 89 18.640 -3.463 2.165 722 2HB ASP 89 2HB ASP 89 17.891 -4.304 3.515 723 HA PRO 90 HA PRO 90 13.184 -3.054 3.902 724 1HB PRO 90 1HB PRO 90 13.636 -3.915 6.494 725 2HB PRO 90 2HB PRO 90 12.753 -4.813 5.258 726 1HG PRO 90 1HG PRO 90 15.586 -5.097 6.144 727 2HG PRO 90 2HG PRO 90 14.412 -6.349 5.722 728 1HD PRO 90 1HD PRO 90 16.329 -5.642 4.012 729 2HD PRO 90 2HD PRO 90 14.699 -6.048 3.445 730 H GLU 91 H GLU 91 16.451 -2.482 4.607 731 HA GLU 91 HA GLU 91 16.400 -0.621 6.708 732 1HB GLU 91 1HB GLU 91 18.500 0.277 5.729 733 2HB GLU 91 2HB GLU 91 18.509 -1.474 5.824 734 1HG GLU 91 1HG GLU 91 18.038 -1.655 3.482 735 2HG GLU 91 2HG GLU 91 17.859 0.087 3.337 736 H GLU 92 H GLU 92 15.451 -0.422 3.435 737 HA GLU 92 HA GLU 92 15.281 2.311 2.874 738 1HB GLU 92 1HB GLU 92 14.979 0.361 1.318 739 2HB GLU 92 2HB GLU 92 13.415 0.077 2.051 740 1HG GLU 92 1HG GLU 92 13.083 1.182 -0.020 741 2HG GLU 92 2HG GLU 92 12.721 2.329 1.268 742 H ILE 93 H ILE 93 13.339 0.233 4.911 743 HA ILE 93 HA ILE 93 10.991 1.789 4.976 744 HB ILE 93 HB ILE 93 12.069 -0.152 7.010 745 1HG1 ILE 93 1HG1 ILE 93 9.954 -0.524 4.887 746 2HG1 ILE 93 2HG1 ILE 93 11.616 -1.101 4.778 747 1HG2 ILE 93 1HG2 ILE 93 9.279 1.010 6.782 748 2HG2 ILE 93 2HG2 ILE 93 10.441 1.353 8.062 749 3HG2 ILE 93 3HG2 ILE 93 9.764 -0.267 7.901 750 1HD1 ILE 93 1HD1 ILE 93 11.238 -2.518 6.720 751 2HD1 ILE 93 2HD1 ILE 93 10.134 -2.882 5.402 752 3HD1 ILE 93 3HD1 ILE 93 9.566 -1.962 6.800 753 H GLU 94 H GLU 94 13.945 1.831 6.961 754 HA GLU 94 HA GLU 94 12.940 3.625 8.912 755 1HB GLU 94 1HB GLU 94 15.786 3.396 7.947 756 2HB GLU 94 2HB GLU 94 15.272 4.193 9.421 757 1HG GLU 94 1HG GLU 94 14.376 1.965 10.167 758 2HG GLU 94 2HG GLU 94 15.223 1.266 8.783 759 H ARG 95 H ARG 95 14.415 4.082 5.822 760 HA ARG 95 HA ARG 95 14.674 6.894 5.856 761 1HB ARG 95 1HB ARG 95 15.788 5.327 4.306 762 2HB ARG 95 2HB ARG 95 14.233 4.946 3.607 763 1HG ARG 95 1HG ARG 95 14.028 7.222 2.792 764 2HG ARG 95 2HG ARG 95 15.595 7.620 3.514 765 1HD ARG 95 1HD ARG 95 15.061 5.527 1.441 766 2HD ARG 95 2HD ARG 95 15.859 7.079 1.154 767 HE ARG 95 HE ARG 95 17.306 5.857 3.153 768 1HH1 ARG 95 1HH1 ARG 95 16.510 5.020 -0.183 769 2HH1 ARG 95 2HH1 ARG 95 17.896 4.042 -0.399 770 1HH2 ARG 95 1HH2 ARG 95 19.184 4.465 2.840 771 2HH2 ARG 95 2HH2 ARG 95 19.400 3.724 1.327 772 H ILE 96 H ILE 96 12.308 4.677 4.537 773 HA ILE 96 HA ILE 96 10.432 6.541 3.629 774 HB ILE 96 HB ILE 96 10.718 3.700 4.050 775 1HG1 ILE 96 1HG1 ILE 96 9.896 5.319 1.660 776 2HG1 ILE 96 2HG1 ILE 96 11.477 4.630 2.005 777 1HG2 ILE 96 1HG2 ILE 96 8.464 3.823 4.905 778 2HG2 ILE 96 2HG2 ILE 96 8.366 3.144 3.274 779 3HG2 ILE 96 3HG2 ILE 96 7.976 4.844 3.556 780 1HD1 ILE 96 1HD1 ILE 96 10.529 2.378 1.738 781 2HD1 ILE 96 2HD1 ILE 96 10.321 3.362 0.288 782 3HD1 ILE 96 3HD1 ILE 96 8.959 3.096 1.374 783 H LEU 97 H LEU 97 10.977 5.247 6.758 784 HA LEU 97 HA LEU 97 8.411 5.744 7.904 785 1HB LEU 97 1HB LEU 97 10.080 4.154 8.824 786 2HB LEU 97 2HB LEU 97 11.133 5.495 9.195 787 HG LEU 97 HG LEU 97 9.406 6.337 10.790 788 1HD1 LEU 97 1HD1 LEU 97 7.457 5.271 9.812 789 2HD1 LEU 97 2HD1 LEU 97 7.646 4.816 11.507 790 3HD1 LEU 97 3HD1 LEU 97 8.102 3.685 10.232 791 1HD2 LEU 97 1HD2 LEU 97 10.436 3.544 11.273 792 2HD2 LEU 97 2HD2 LEU 97 9.882 4.666 12.515 793 3HD2 LEU 97 3HD2 LEU 97 11.320 5.042 11.567 794 H GLU 98 H GLU 98 11.392 7.477 7.539 795 HA GLU 98 HA GLU 98 10.573 9.732 9.140 796 1HB GLU 98 1HB GLU 98 12.941 8.854 8.860 797 2HB GLU 98 2HB GLU 98 12.874 9.477 7.223 798 1HG GLU 98 1HG GLU 98 14.039 11.004 8.716 799 2HG GLU 98 2HG GLU 98 12.575 11.727 8.048 800 H VAL 99 H VAL 99 10.820 8.751 5.838 801 HA VAL 99 HA VAL 99 9.912 11.317 4.784 802 HB VAL 99 HB VAL 99 10.924 8.772 3.426 803 1HG1 VAL 99 1HG1 VAL 99 9.560 10.176 1.877 804 2HG1 VAL 99 2HG1 VAL 99 11.261 10.174 1.411 805 3HG1 VAL 99 3HG1 VAL 99 10.580 11.565 2.255 806 1HG2 VAL 99 1HG2 VAL 99 13.001 10.020 3.061 807 2HG2 VAL 99 2HG2 VAL 99 12.634 9.793 4.771 808 3HG2 VAL 99 3HG2 VAL 99 12.349 11.358 4.009 809 H ALA 100 H ALA 100 8.235 9.435 6.333 810 HA ALA 100 HA ALA 100 6.462 7.887 4.770 811 1HB ALA 100 1HB ALA 100 5.854 9.210 7.399 812 2HB ALA 100 2HB ALA 100 6.699 7.675 7.197 813 3HB ALA 100 3HB ALA 100 5.016 7.829 6.689 814 H GLU 101 H GLU 101 6.374 11.337 5.427 815 HA GLU 101 HA GLU 101 3.718 11.415 4.310 816 1HB GLU 101 1HB GLU 101 5.256 13.522 5.803 817 2HB GLU 101 2HB GLU 101 3.714 13.818 5.010 818 1HG GLU 101 1HG GLU 101 2.634 12.176 6.414 819 2HG GLU 101 2HG GLU 101 4.178 11.776 7.164 820 HA PRO 102 HA PRO 102 6.247 14.325 1.311 821 1HB PRO 102 1HB PRO 102 8.566 12.453 1.354 822 2HB PRO 102 2HB PRO 102 8.530 14.176 0.901 823 1HG PRO 102 1HG PRO 102 9.408 13.494 3.277 824 2HG PRO 102 2HG PRO 102 8.277 14.853 3.130 825 1HD PRO 102 1HD PRO 102 7.772 12.064 4.061 826 2HD PRO 102 2HD PRO 102 7.086 13.596 4.642 Start of MODEL 18 1 H HIS 1 H HIS 1 4.168 9.886 -11.020 2 HA HIS 1 HA HIS 1 1.806 9.848 -11.166 3 1HB HIS 1 1HB HIS 1 2.149 6.900 -10.503 4 2HB HIS 1 2HB HIS 1 0.621 7.759 -10.468 5 HD1 HIS 1 HD1 HIS 1 -0.442 8.364 -12.859 6 HD2 HIS 1 HD2 HIS 1 3.000 6.029 -12.952 7 HE1 HIS 1 HE1 HIS 1 -0.287 7.438 -15.178 8 H MET 2 H MET 2 0.522 10.003 -9.138 9 HA MET 2 HA MET 2 1.922 9.438 -6.675 10 1HB MET 2 1HB MET 2 1.015 12.270 -7.297 11 2HB MET 2 2HB MET 2 1.700 11.697 -5.803 12 1HG MET 2 1HG MET 2 3.414 12.925 -6.783 13 2HG MET 2 2HG MET 2 3.833 11.255 -7.143 14 1HE MET 2 1HE MET 2 1.993 14.180 -10.227 15 2HE MET 2 2HE MET 2 2.299 14.594 -8.540 16 3HE MET 2 3HE MET 2 1.033 13.438 -8.954 17 H THR 3 H THR 3 0.438 9.140 -5.046 18 HA THR 3 HA THR 3 -2.336 9.901 -5.615 19 HB THR 3 HB THR 3 -1.475 7.454 -4.053 20 HG1 THR 3 HG1 THR 3 -2.695 6.540 -6.011 21 1HG2 THR 3 1HG2 THR 3 -4.193 8.360 -5.022 22 2HG2 THR 3 2HG2 THR 3 -3.628 8.395 -3.354 23 3HG2 THR 3 3HG2 THR 3 -3.857 6.850 -4.172 24 H PHE 4 H PHE 4 -2.788 11.510 -4.311 25 HA PHE 4 HA PHE 4 -2.005 11.231 -1.512 26 1HB PHE 4 1HB PHE 4 -2.247 13.801 -3.063 27 2HB PHE 4 2HB PHE 4 -1.919 13.672 -1.333 28 HD1 PHE 4 HD1 PHE 4 0.140 12.300 -0.661 29 HD2 PHE 4 HD2 PHE 4 -0.476 13.903 -4.543 30 HE1 PHE 4 HE1 PHE 4 2.542 12.107 -1.119 31 HE2 PHE 4 HE2 PHE 4 1.925 13.711 -5.003 32 HZ PHE 4 HZ PHE 4 3.428 12.788 -3.289 33 H CYS 5 H CYS 5 -4.499 11.459 -3.733 34 HA CYS 5 HA CYS 5 -6.396 12.711 -1.985 35 1HB CYS 5 1HB CYS 5 -6.739 11.260 -4.607 36 2HB CYS 5 2HB CYS 5 -8.037 12.076 -3.743 37 HG CYS 5 HG CYS 5 -7.663 13.963 -5.441 38 H LEU 6 H LEU 6 -6.479 11.517 -0.169 39 HA LEU 6 HA LEU 6 -6.866 8.714 -0.327 40 1HB LEU 6 1HB LEU 6 -6.991 8.821 2.200 41 2HB LEU 6 2HB LEU 6 -5.475 9.217 1.471 42 HG LEU 6 HG LEU 6 -5.821 10.473 3.407 43 1HD1 LEU 6 1HD1 LEU 6 -5.527 12.739 2.772 44 2HD1 LEU 6 2HD1 LEU 6 -6.114 12.409 1.159 45 3HD1 LEU 6 3HD1 LEU 6 -4.622 11.653 1.727 46 1HD2 LEU 6 1HD2 LEU 6 -7.602 12.089 3.781 47 2HD2 LEU 6 2HD2 LEU 6 -8.238 10.448 3.612 48 3HD2 LEU 6 3HD2 LEU 6 -8.369 11.589 2.279 49 H GLU 7 H GLU 7 -8.803 11.470 0.458 50 HA GLU 7 HA GLU 7 -11.007 9.929 1.388 51 1HB GLU 7 1HB GLU 7 -10.559 12.029 2.344 52 2HB GLU 7 2HB GLU 7 -10.608 12.856 0.822 53 1HG GLU 7 1HG GLU 7 -13.089 12.156 0.786 54 2HG GLU 7 2HG GLU 7 -12.843 11.744 2.485 55 H THR 8 H THR 8 -9.905 10.690 -1.664 56 HA THR 8 HA THR 8 -12.389 10.844 -2.997 57 HB THR 8 HB THR 8 -9.714 9.940 -4.098 58 HG1 THR 8 HG1 THR 8 -10.013 12.391 -4.753 59 1HG2 THR 8 1HG2 THR 8 -10.589 10.819 -6.237 60 2HG2 THR 8 2HG2 THR 8 -12.113 11.220 -5.444 61 3HG2 THR 8 3HG2 THR 8 -11.624 9.535 -5.612 62 H TYR 9 H TYR 9 -10.438 8.276 -1.669 63 HA TYR 9 HA TYR 9 -11.638 6.292 -3.282 64 1HB TYR 9 1HB TYR 9 -9.597 6.242 -1.120 65 2HB TYR 9 2HB TYR 9 -10.384 4.737 -1.611 66 HD1 TYR 9 HD1 TYR 9 -10.071 3.835 -3.793 67 HD2 TYR 9 HD2 TYR 9 -8.166 7.475 -2.719 68 HE1 TYR 9 HE1 TYR 9 -8.717 3.698 -5.809 69 HE2 TYR 9 HE2 TYR 9 -6.777 7.347 -4.755 70 HH TYR 9 HH TYR 9 -5.999 5.692 -6.381 71 H LEU 10 H LEU 10 -12.393 7.756 -0.311 72 HA LEU 10 HA LEU 10 -14.139 5.738 0.628 73 1HB LEU 10 1HB LEU 10 -13.269 7.741 1.952 74 2HB LEU 10 2HB LEU 10 -14.389 8.736 1.060 75 HG LEU 10 HG LEU 10 -15.293 6.473 2.865 76 1HD1 LEU 10 1HD1 LEU 10 -15.732 8.199 4.554 77 2HD1 LEU 10 2HD1 LEU 10 -14.974 9.401 3.513 78 3HD1 LEU 10 3HD1 LEU 10 -14.014 8.081 4.178 79 1HD2 LEU 10 1HD2 LEU 10 -16.963 7.266 1.241 80 2HD2 LEU 10 2HD2 LEU 10 -16.739 8.918 1.822 81 3HD2 LEU 10 3HD2 LEU 10 -17.419 7.692 2.892 82 H GLN 11 H GLN 11 -14.377 8.494 -1.469 83 HA GLN 11 HA GLN 11 -17.165 8.410 -1.948 84 1HB GLN 11 1HB GLN 11 -14.878 9.699 -3.433 85 2HB GLN 11 2HB GLN 11 -16.561 9.918 -3.882 86 1HG GLN 11 1HG GLN 11 -15.337 10.672 -1.229 87 2HG GLN 11 2HG GLN 11 -15.697 11.788 -2.546 88 1HE2 GLN 11 1HE2 GLN 11 -16.730 11.717 0.211 89 2HE2 GLN 11 2HE2 GLN 11 -18.433 11.584 0.066 90 H GLN 12 H GLN 12 -14.365 6.925 -3.378 91 HA GLN 12 HA GLN 12 -15.927 5.947 -5.569 92 1HB GLN 12 1HB GLN 12 -13.033 5.481 -4.875 93 2HB GLN 12 2HB GLN 12 -13.800 4.819 -6.304 94 1HG GLN 12 1HG GLN 12 -13.476 7.737 -5.648 95 2HG GLN 12 2HG GLN 12 -12.545 6.830 -6.837 96 1HE2 GLN 12 1HE2 GLN 12 -14.893 5.343 -7.823 97 2HE2 GLN 12 2HE2 GLN 12 -15.816 6.490 -8.711 98 H SER 13 H SER 13 -15.759 5.057 -2.508 99 HA SER 13 HA SER 13 -16.144 3.260 -1.286 100 1HB SER 13 1HB SER 13 -17.404 2.171 -3.824 101 2HB SER 13 2HB SER 13 -17.736 1.610 -2.184 102 HG SER 13 HG SER 13 -19.005 3.251 -1.863 103 H GLY 14 H GLY 14 -13.617 3.356 -2.156 104 1HA GLY 14 1HA GLY 14 -12.886 0.552 -2.313 105 2HA GLY 14 2HA GLY 14 -12.278 1.624 -3.578 106 H GLU 15 H GLU 15 -12.792 1.896 -0.128 107 HA GLU 15 HA GLU 15 -10.704 3.641 0.403 108 1HB GLU 15 1HB GLU 15 -12.111 1.674 2.210 109 2HB GLU 15 2HB GLU 15 -11.116 3.016 2.760 110 1HG GLU 15 1HG GLU 15 -12.649 4.618 1.865 111 2HG GLU 15 2HG GLU 15 -13.553 3.364 1.038 112 H TYR 16 H TYR 16 -8.645 3.408 0.844 113 HA TYR 16 HA TYR 16 -7.444 0.750 1.243 114 1HB TYR 16 1HB TYR 16 -7.319 1.524 -1.160 115 2HB TYR 16 2HB TYR 16 -6.516 2.976 -0.616 116 HD1 TYR 16 HD1 TYR 16 -6.069 -0.757 -0.489 117 HD2 TYR 16 HD2 TYR 16 -4.212 3.055 -0.851 118 HE1 TYR 16 HE1 TYR 16 -3.917 -1.854 -0.985 119 HE2 TYR 16 HE2 TYR 16 -2.054 1.975 -1.330 120 HH TYR 16 HH TYR 16 -0.886 -0.097 -1.172 121 H GLU 17 H GLU 17 -8.309 3.198 2.798 122 HA GLU 17 HA GLU 17 -5.852 3.648 4.253 123 1HB GLU 17 1HB GLU 17 -6.297 6.060 4.370 124 2HB GLU 17 2HB GLU 17 -5.611 5.464 2.879 125 1HG GLU 17 1HG GLU 17 -8.558 5.819 3.148 126 2HG GLU 17 2HG GLU 17 -7.575 7.253 2.928 127 H ILE 18 H ILE 18 -6.215 5.206 6.054 128 HA ILE 18 HA ILE 18 -8.754 4.645 6.997 129 HB ILE 18 HB ILE 18 -7.108 3.624 8.455 130 1HG1 ILE 18 1HG1 ILE 18 -8.478 5.872 9.959 131 2HG1 ILE 18 2HG1 ILE 18 -9.170 4.298 9.595 132 1HG2 ILE 18 1HG2 ILE 18 -6.025 6.375 8.923 133 2HG2 ILE 18 2HG2 ILE 18 -5.215 4.983 8.181 134 3HG2 ILE 18 3HG2 ILE 18 -5.602 4.970 9.895 135 1HD1 ILE 18 1HD1 ILE 18 -7.507 3.241 11.053 136 2HD1 ILE 18 2HD1 ILE 18 -8.456 4.451 11.916 137 3HD1 ILE 18 3HD1 ILE 18 -6.813 4.825 11.396 138 H HIS 19 H HIS 19 -7.953 6.770 5.337 139 HA HIS 19 HA HIS 19 -8.222 8.960 4.873 140 1HB HIS 19 1HB HIS 19 -10.439 8.582 6.880 141 2HB HIS 19 2HB HIS 19 -10.247 10.038 5.888 142 HD1 HIS 19 HD1 HIS 19 -11.292 6.442 5.644 143 HD2 HIS 19 HD2 HIS 19 -10.559 9.696 3.204 144 HE1 HIS 19 HE1 HIS 19 -12.064 5.765 3.380 145 H MET 20 H MET 20 -6.220 8.949 5.790 146 HA MET 20 HA MET 20 -5.893 11.015 7.789 147 1HB MET 20 1HB MET 20 -4.801 8.240 7.672 148 2HB MET 20 2HB MET 20 -3.836 9.445 8.529 149 1HG MET 20 1HG MET 20 -6.611 8.425 9.105 150 2HG MET 20 2HG MET 20 -5.148 8.100 10.033 151 1HE MET 20 1HE MET 20 -3.917 9.864 11.477 152 2HE MET 20 2HE MET 20 -4.457 11.522 11.716 153 3HE MET 20 3HE MET 20 -3.813 11.021 10.150 154 H LYS 21 H LYS 21 -2.921 10.842 7.374 155 HA LYS 21 HA LYS 21 -3.042 12.052 4.738 156 1HB LYS 21 1HB LYS 21 -1.998 13.270 6.588 157 2HB LYS 21 2HB LYS 21 -0.824 11.980 6.784 158 1HG LYS 21 1HG LYS 21 0.158 12.503 4.660 159 2HG LYS 21 2HG LYS 21 -1.107 13.697 4.336 160 1HD LYS 21 1HD LYS 21 -0.409 15.015 6.221 161 2HD LYS 21 2HD LYS 21 0.787 13.808 6.674 162 1HE LYS 21 1HE LYS 21 1.857 15.660 5.553 163 2HE LYS 21 2HE LYS 21 1.955 14.220 4.547 164 1HZ LYS 21 1HZ LYS 21 1.397 16.202 3.300 165 2HZ LYS 21 2HZ LYS 21 -0.022 16.404 4.206 166 3HZ LYS 21 3HZ LYS 21 0.138 15.084 3.200 167 H ARG 22 H ARG 22 -2.625 10.907 2.979 168 HA ARG 22 HA ARG 22 -0.951 8.501 3.231 169 1HB ARG 22 1HB ARG 22 -2.254 7.504 1.421 170 2HB ARG 22 2HB ARG 22 -3.397 8.374 2.395 171 1HG ARG 22 1HG ARG 22 -3.596 10.090 0.814 172 2HG ARG 22 2HG ARG 22 -2.161 9.545 -0.055 173 1HD ARG 22 1HD ARG 22 -4.749 7.995 0.196 174 2HD ARG 22 2HD ARG 22 -4.186 8.883 -1.221 175 HE ARG 22 HE ARG 22 -2.157 7.217 -0.869 176 1HH1 ARG 22 1HH1 ARG 22 -5.621 6.301 -0.484 177 2HH1 ARG 22 2HH1 ARG 22 -5.401 4.820 -1.209 178 1HH2 ARG 22 1HH2 ARG 22 -1.912 5.274 -1.749 179 2HH2 ARG 22 2HH2 ARG 22 -3.194 4.157 -2.037 180 H ALA 23 H ALA 23 0.466 8.067 1.339 181 HA ALA 23 HA ALA 23 1.003 10.298 -0.444 182 1HB ALA 23 1HB ALA 23 3.115 9.534 1.578 183 2HB ALA 23 2HB ALA 23 2.253 11.070 1.492 184 3HB ALA 23 3HB ALA 23 3.377 10.614 0.211 185 H GLY 24 H GLY 24 0.605 8.780 -2.108 186 1HA GLY 24 1HA GLY 24 2.448 6.510 -2.272 187 2HA GLY 24 2HA GLY 24 0.884 6.628 -3.047 188 H PHE 25 H PHE 25 4.191 7.538 -3.126 189 HA PHE 25 HA PHE 25 3.993 8.869 -5.683 190 1HB PHE 25 1HB PHE 25 6.349 7.935 -4.063 191 2HB PHE 25 2HB PHE 25 6.513 8.756 -5.606 192 HD1 PHE 25 HD1 PHE 25 5.799 11.117 -5.809 193 HD2 PHE 25 HD2 PHE 25 5.880 9.116 -2.057 194 HE1 PHE 25 HE1 PHE 25 5.763 13.283 -4.661 195 HE2 PHE 25 HE2 PHE 25 5.841 11.291 -0.899 196 HZ PHE 25 HZ PHE 25 5.785 13.369 -2.200 197 H ARG 26 H ARG 26 5.662 5.951 -4.633 198 HA ARG 26 HA ARG 26 5.992 5.103 -7.383 199 1HB ARG 26 1HB ARG 26 6.737 3.871 -4.763 200 2HB ARG 26 2HB ARG 26 7.035 3.103 -6.305 201 1HG ARG 26 1HG ARG 26 8.112 5.822 -5.672 202 2HG ARG 26 2HG ARG 26 8.951 4.346 -5.190 203 1HD ARG 26 1HD ARG 26 8.946 3.602 -7.492 204 2HD ARG 26 2HD ARG 26 8.158 5.103 -7.989 205 HE ARG 26 HE ARG 26 10.455 5.765 -6.550 206 1HH1 ARG 26 1HH1 ARG 26 9.730 4.207 -9.625 207 2HH1 ARG 26 2HH1 ARG 26 11.185 4.673 -10.381 208 1HH2 ARG 26 1HH2 ARG 26 12.429 6.414 -7.559 209 2HH2 ARG 26 2HH2 ARG 26 12.767 5.963 -9.169 210 H GLU 27 H GLU 27 4.177 4.160 -4.566 211 HA GLU 27 HA GLU 27 3.212 1.777 -5.791 212 1HB GLU 27 1HB GLU 27 3.709 2.200 -3.325 213 2HB GLU 27 2HB GLU 27 2.137 2.991 -3.325 214 1HG GLU 27 1HG GLU 27 1.053 0.981 -3.972 215 2HG GLU 27 2HG GLU 27 2.603 0.152 -4.136 216 H CYS 28 H CYS 28 2.265 5.046 -6.102 217 HA CYS 28 HA CYS 28 -0.445 5.115 -6.231 218 1HB CYS 28 1HB CYS 28 0.954 7.026 -6.797 219 2HB CYS 28 2HB CYS 28 1.547 6.203 -8.232 220 HG CYS 28 HG CYS 28 -1.551 7.372 -7.633 221 H ALA 29 H ALA 29 1.777 3.834 -8.672 222 HA ALA 29 HA ALA 29 -0.253 3.171 -10.552 223 1HB ALA 29 1HB ALA 29 2.056 3.632 -11.225 224 2HB ALA 29 2HB ALA 29 1.522 2.039 -11.772 225 3HB ALA 29 3HB ALA 29 2.582 2.182 -10.371 226 H ALA 30 H ALA 30 1.397 1.429 -8.060 227 HA ALA 30 HA ALA 30 0.572 -1.158 -8.589 228 1HB ALA 30 1HB ALA 30 1.138 -1.604 -6.321 229 2HB ALA 30 2HB ALA 30 1.054 0.114 -5.934 230 3HB ALA 30 3HB ALA 30 2.310 -0.485 -7.017 231 H MET 31 H MET 31 -0.940 1.362 -6.637 232 HA MET 31 HA MET 31 -2.896 -0.397 -5.576 233 1HB MET 31 1HB MET 31 -4.066 1.475 -4.689 234 2HB MET 31 2HB MET 31 -2.348 1.721 -4.451 235 1HG MET 31 1HG MET 31 -2.300 3.291 -6.298 236 2HG MET 31 2HG MET 31 -4.011 3.010 -6.602 237 1HE MET 31 1HE MET 31 -5.905 3.498 -4.777 238 2HE MET 31 2HE MET 31 -5.613 4.388 -3.289 239 3HE MET 31 3HE MET 31 -5.015 2.742 -3.449 240 H ILE 32 H ILE 32 -2.813 1.462 -8.473 241 HA ILE 32 HA ILE 32 -5.535 1.285 -9.157 242 HB ILE 32 HB ILE 32 -3.099 1.355 -10.961 243 1HG1 ILE 32 1HG1 ILE 32 -4.799 3.640 -9.917 244 2HG1 ILE 32 2HG1 ILE 32 -3.184 3.235 -9.355 245 1HG2 ILE 32 1HG2 ILE 32 -4.668 2.335 -12.634 246 2HG2 ILE 32 2HG2 ILE 32 -6.002 2.057 -11.515 247 3HG2 ILE 32 3HG2 ILE 32 -5.115 0.687 -12.184 248 1HD1 ILE 32 1HD1 ILE 32 -2.293 3.753 -11.577 249 2HD1 ILE 32 2HD1 ILE 32 -3.142 5.129 -10.873 250 3HD1 ILE 32 3HD1 ILE 32 -3.917 4.161 -12.128 251 H GLU 33 H GLU 33 -2.798 -0.867 -9.507 252 HA GLU 33 HA GLU 33 -4.173 -2.781 -11.134 253 1HB GLU 33 1HB GLU 33 -1.642 -3.132 -9.526 254 2HB GLU 33 2HB GLU 33 -2.197 -4.100 -10.887 255 1HG GLU 33 1HG GLU 33 -1.869 -2.208 -12.380 256 2HG GLU 33 2HG GLU 33 -1.328 -1.226 -11.019 257 H LYS 34 H LYS 34 -3.343 -2.375 -7.741 258 HA LYS 34 HA LYS 34 -4.101 -4.905 -6.790 259 1HB LYS 34 1HB LYS 34 -3.859 -2.232 -5.449 260 2HB LYS 34 2HB LYS 34 -4.331 -3.665 -4.561 261 1HG LYS 34 1HG LYS 34 -2.291 -4.627 -4.707 262 2HG LYS 34 2HG LYS 34 -1.785 -3.747 -6.157 263 1HD LYS 34 1HD LYS 34 -1.709 -1.697 -4.762 264 2HD LYS 34 2HD LYS 34 -2.114 -2.701 -3.353 265 1HE LYS 34 1HE LYS 34 -0.030 -3.931 -3.719 266 2HE LYS 34 2HE LYS 34 0.326 -2.894 -5.094 267 1HZ LYS 34 1HZ LYS 34 0.436 -0.999 -3.663 268 2HZ LYS 34 2HZ LYS 34 1.374 -2.161 -2.904 269 3HZ LYS 34 3HZ LYS 34 -0.170 -1.816 -2.377 270 H LYS 35 H LYS 35 -5.913 -2.273 -7.806 271 HA LYS 35 HA LYS 35 -8.288 -2.454 -6.349 272 1HB LYS 35 1HB LYS 35 -7.733 -0.566 -7.712 273 2HB LYS 35 2HB LYS 35 -7.659 -1.556 -9.152 274 1HG LYS 35 1HG LYS 35 -10.086 -1.950 -8.939 275 2HG LYS 35 2HG LYS 35 -10.108 -0.840 -7.566 276 1HD LYS 35 1HD LYS 35 -9.289 0.954 -8.951 277 2HD LYS 35 2HD LYS 35 -9.128 -0.145 -10.322 278 1HE LYS 35 1HE LYS 35 -11.502 -0.506 -10.350 279 2HE LYS 35 2HE LYS 35 -11.716 0.531 -8.940 280 1HZ LYS 35 1HZ LYS 35 -10.691 1.387 -11.602 281 2HZ LYS 35 2HZ LYS 35 -10.872 2.389 -10.261 282 3HZ LYS 35 3HZ LYS 35 -12.217 1.708 -10.988 283 H ALA 36 H ALA 36 -6.973 -4.475 -8.848 284 HA ALA 36 HA ALA 36 -9.399 -5.605 -9.736 285 1HB ALA 36 1HB ALA 36 -7.356 -5.724 -11.060 286 2HB ALA 36 2HB ALA 36 -8.009 -7.337 -10.769 287 3HB ALA 36 3HB ALA 36 -6.615 -6.766 -9.847 288 H ARG 37 H ARG 37 -6.855 -6.873 -7.605 289 HA ARG 37 HA ARG 37 -8.713 -8.007 -5.758 290 1HB ARG 37 1HB ARG 37 -8.637 -9.692 -7.757 291 2HB ARG 37 2HB ARG 37 -7.020 -10.057 -7.172 292 1HG ARG 37 1HG ARG 37 -9.547 -10.397 -5.529 293 2HG ARG 37 2HG ARG 37 -8.739 -11.691 -6.399 294 1HD ARG 37 1HD ARG 37 -6.758 -11.402 -5.008 295 2HD ARG 37 2HD ARG 37 -7.518 -10.043 -4.184 296 HE ARG 37 HE ARG 37 -8.773 -12.679 -4.083 297 1HH1 ARG 37 1HH1 ARG 37 -7.116 -10.025 -2.355 298 2HH1 ARG 37 2HH1 ARG 37 -7.399 -10.681 -0.829 299 1HH2 ARG 37 1HH2 ARG 37 -9.141 -13.536 -1.974 300 2HH2 ARG 37 2HH2 ARG 37 -8.571 -12.704 -0.585 301 H ARG 38 H ARG 38 -5.460 -8.793 -7.001 302 HA ARG 38 HA ARG 38 -4.239 -7.496 -4.802 303 1HB ARG 38 1HB ARG 38 -3.013 -9.427 -3.908 304 2HB ARG 38 2HB ARG 38 -4.739 -9.703 -3.766 305 1HG ARG 38 1HG ARG 38 -4.724 -11.296 -5.527 306 2HG ARG 38 2HG ARG 38 -3.085 -10.848 -5.998 307 1HD ARG 38 1HD ARG 38 -2.234 -11.670 -3.865 308 2HD ARG 38 2HD ARG 38 -3.873 -12.082 -3.372 309 HE ARG 38 HE ARG 38 -3.900 -13.719 -5.159 310 1HH1 ARG 38 1HH1 ARG 38 -0.644 -12.487 -4.363 311 2HH1 ARG 38 2HH1 ARG 38 0.111 -13.983 -4.646 312 1HH2 ARG 38 1HH2 ARG 38 -2.775 -15.742 -5.603 313 2HH2 ARG 38 2HH2 ARG 38 -1.094 -15.821 -5.359 314 H VAL 39 H VAL 39 -2.281 -6.762 -5.517 315 HA VAL 39 HA VAL 39 -0.997 -8.127 -7.747 316 HB VAL 39 HB VAL 39 -1.829 -5.213 -7.816 317 1HG1 VAL 39 1HG1 VAL 39 -0.655 -5.065 -9.999 318 2HG1 VAL 39 2HG1 VAL 39 -0.138 -6.734 -9.821 319 3HG1 VAL 39 3HG1 VAL 39 0.471 -5.507 -8.713 320 1HG2 VAL 39 1HG2 VAL 39 -2.990 -5.808 -9.903 321 2HG2 VAL 39 2HG2 VAL 39 -3.585 -6.746 -8.532 322 3HG2 VAL 39 3HG2 VAL 39 -2.482 -7.483 -9.694 323 H VAL 40 H VAL 40 1.188 -7.807 -7.808 324 HA VAL 40 HA VAL 40 2.321 -6.310 -5.594 325 HB VAL 40 HB VAL 40 3.033 -8.690 -5.626 326 1HG1 VAL 40 1HG1 VAL 40 4.094 -8.139 -8.382 327 2HG1 VAL 40 2HG1 VAL 40 2.745 -9.195 -7.959 328 3HG1 VAL 40 3HG1 VAL 40 4.379 -9.603 -7.443 329 1HG2 VAL 40 1HG2 VAL 40 5.485 -8.417 -5.740 330 2HG2 VAL 40 2HG2 VAL 40 4.696 -7.145 -4.801 331 3HG2 VAL 40 3HG2 VAL 40 5.251 -6.819 -6.442 332 H HIS 41 H HIS 41 4.052 -4.848 -6.026 333 HA HIS 41 HA HIS 41 4.490 -4.179 -8.807 334 1HB HIS 41 1HB HIS 41 2.599 -2.837 -7.746 335 2HB HIS 41 2HB HIS 41 3.797 -2.178 -6.655 336 HD1 HIS 41 HD1 HIS 41 2.419 -1.818 -10.158 337 HD2 HIS 41 HD2 HIS 41 5.405 -0.144 -7.762 338 HE1 HIS 41 HE1 HIS 41 3.283 0.161 -11.379 339 H ILE 42 H ILE 42 6.637 -3.849 -9.043 340 HA ILE 42 HA ILE 42 8.326 -4.051 -6.722 341 HB ILE 42 HB ILE 42 8.906 -5.262 -8.826 342 1HG1 ILE 42 1HG1 ILE 42 10.957 -3.172 -8.031 343 2HG1 ILE 42 2HG1 ILE 42 10.690 -4.706 -7.222 344 1HG2 ILE 42 1HG2 ILE 42 9.823 -4.024 -10.756 345 2HG2 ILE 42 2HG2 ILE 42 9.338 -2.512 -9.989 346 3HG2 ILE 42 3HG2 ILE 42 8.115 -3.684 -10.477 347 1HD1 ILE 42 1HD1 ILE 42 11.676 -4.349 -10.044 348 2HD1 ILE 42 2HD1 ILE 42 11.420 -5.890 -9.227 349 3HD1 ILE 42 3HD1 ILE 42 12.658 -4.777 -8.644 350 H LYS 43 H LYS 43 9.677 -2.465 -5.918 351 HA LYS 43 HA LYS 43 10.428 -0.403 -5.389 352 1HB LYS 43 1HB LYS 43 9.604 0.403 -8.190 353 2HB LYS 43 2HB LYS 43 10.509 1.418 -7.088 354 1HG LYS 43 1HG LYS 43 12.358 -0.148 -7.159 355 2HG LYS 43 2HG LYS 43 11.433 -1.203 -8.235 356 1HD LYS 43 1HD LYS 43 11.330 0.551 -9.900 357 2HD LYS 43 2HD LYS 43 12.194 1.649 -8.823 358 1HE LYS 43 1HE LYS 43 14.118 0.142 -8.864 359 2HE LYS 43 2HE LYS 43 13.260 -0.929 -9.972 360 1HZ LYS 43 1HZ LYS 43 14.000 1.886 -10.496 361 2HZ LYS 43 2HZ LYS 43 13.162 0.877 -11.558 362 3HZ LYS 43 3HZ LYS 43 14.764 0.518 -11.146 363 HA PRO 44 HA PRO 44 6.120 1.062 -4.715 364 1HB PRO 44 1HB PRO 44 5.732 0.366 -2.165 365 2HB PRO 44 2HB PRO 44 5.529 -0.824 -3.462 366 1HG PRO 44 1HG PRO 44 7.939 -0.334 -1.736 367 2HG PRO 44 2HG PRO 44 7.139 -1.880 -2.049 368 1HD PRO 44 1HD PRO 44 9.313 -1.145 -3.427 369 2HD PRO 44 2HD PRO 44 7.978 -2.022 -4.197 370 H GLY 45 H GLY 45 5.412 2.677 -3.018 371 1HA GLY 45 1HA GLY 45 7.259 3.918 -1.317 372 2HA GLY 45 2HA GLY 45 7.208 4.758 -2.864 373 H GLU 46 H GLU 46 4.726 3.171 -0.926 374 HA GLU 46 HA GLU 46 3.330 5.737 -0.774 375 1HB GLU 46 1HB GLU 46 1.973 4.501 -2.145 376 2HB GLU 46 2HB GLU 46 2.287 2.986 -1.332 377 1HG GLU 46 1HG GLU 46 0.011 3.587 -0.939 378 2HG GLU 46 2HG GLU 46 0.880 3.850 0.566 379 H LYS 47 H LYS 47 2.783 6.421 1.049 380 HA LYS 47 HA LYS 47 3.308 4.749 3.377 381 1HB LYS 47 1HB LYS 47 3.925 7.666 3.078 382 2HB LYS 47 2HB LYS 47 4.199 6.656 4.490 383 1HG LYS 47 1HG LYS 47 6.065 5.783 3.693 384 2HG LYS 47 2HG LYS 47 5.375 5.560 2.082 385 1HD LYS 47 1HD LYS 47 6.201 8.187 3.179 386 2HD LYS 47 2HD LYS 47 7.271 7.120 2.212 387 1HE LYS 47 1HE LYS 47 5.803 7.358 0.349 388 2HE LYS 47 2HE LYS 47 4.604 8.211 1.312 389 1HZ LYS 47 1HZ LYS 47 6.312 9.935 1.676 390 2HZ LYS 47 2HZ LYS 47 5.799 9.779 0.063 391 3HZ LYS 47 3HZ LYS 47 7.293 9.146 0.538 392 H ILE 48 H ILE 48 1.355 4.464 2.936 393 HA ILE 48 HA ILE 48 -0.709 6.369 3.156 394 HB ILE 48 HB ILE 48 -2.174 4.336 3.733 395 1HG1 ILE 48 1HG1 ILE 48 0.186 2.938 2.465 396 2HG1 ILE 48 2HG1 ILE 48 -0.460 2.667 4.076 397 1HG2 ILE 48 1HG2 ILE 48 -2.657 5.554 1.889 398 2HG2 ILE 48 2HG2 ILE 48 -2.596 3.866 1.381 399 3HG2 ILE 48 3HG2 ILE 48 -1.254 4.948 1.011 400 1HD1 ILE 48 1HD1 ILE 48 -1.903 2.082 1.502 401 2HD1 ILE 48 2HD1 ILE 48 -2.486 1.723 3.129 402 3HD1 ILE 48 3HD1 ILE 48 -1.058 0.900 2.493 403 H LEU 49 H LEU 49 -0.835 7.474 4.853 404 HA LEU 49 HA LEU 49 -1.417 8.222 6.825 405 1HB LEU 49 1HB LEU 49 -2.395 5.549 7.771 406 2HB LEU 49 2HB LEU 49 -2.999 7.129 8.176 407 HG LEU 49 HG LEU 49 -4.713 6.416 6.902 408 1HD1 LEU 49 1HD1 LEU 49 -4.057 8.358 5.736 409 2HD1 LEU 49 2HD1 LEU 49 -4.709 7.181 4.600 410 3HD1 LEU 49 3HD1 LEU 49 -2.972 7.424 4.716 411 1HD2 LEU 49 1HD2 LEU 49 -4.439 4.861 4.913 412 2HD2 LEU 49 2HD2 LEU 49 -4.121 4.219 6.520 413 3HD2 LEU 49 3HD2 LEU 49 -2.771 4.655 5.482 414 H GLY 50 H GLY 50 1.005 6.322 6.484 415 1HA GLY 50 1HA GLY 50 2.903 5.890 7.778 416 2HA GLY 50 2HA GLY 50 2.111 6.730 9.111 417 H ALA 51 H ALA 51 0.113 4.364 7.761 418 HA ALA 51 HA ALA 51 0.936 2.044 9.184 419 1HB ALA 51 1HB ALA 51 -0.996 1.981 10.718 420 2HB ALA 51 2HB ALA 51 -1.463 3.597 10.192 421 3HB ALA 51 3HB ALA 51 0.043 3.363 11.077 422 H ARG 52 H ARG 52 0.151 0.419 7.916 423 HA ARG 52 HA ARG 52 -1.642 1.157 5.819 424 1HB ARG 52 1HB ARG 52 0.211 -0.399 5.385 425 2HB ARG 52 2HB ARG 52 -0.556 -1.592 6.428 426 1HG ARG 52 1HG ARG 52 -2.512 -1.612 4.924 427 2HG ARG 52 2HG ARG 52 -1.688 -0.477 3.863 428 1HD ARG 52 1HD ARG 52 -1.391 -2.651 2.950 429 2HD ARG 52 2HD ARG 52 0.149 -2.157 3.648 430 HE ARG 52 HE ARG 52 -1.708 -3.861 5.145 431 1HH1 ARG 52 1HH1 ARG 52 1.556 -3.305 3.845 432 2HH1 ARG 52 2HH1 ARG 52 2.178 -4.775 4.405 433 1HH2 ARG 52 1HH2 ARG 52 -0.831 -5.947 5.850 434 2HH2 ARG 52 2HH2 ARG 52 0.788 -6.325 5.516 435 H ILE 53 H ILE 53 -3.546 1.638 6.659 436 HA ILE 53 HA ILE 53 -5.125 -0.606 7.688 437 HB ILE 53 HB ILE 53 -5.556 2.371 8.076 438 1HG1 ILE 53 1HG1 ILE 53 -3.690 1.577 9.478 439 2HG1 ILE 53 2HG1 ILE 53 -5.070 2.036 10.465 440 1HG2 ILE 53 1HG2 ILE 53 -7.106 0.021 9.182 441 2HG2 ILE 53 2HG2 ILE 53 -7.666 1.161 7.962 442 3HG2 ILE 53 3HG2 ILE 53 -7.391 1.705 9.617 443 1HD1 ILE 53 1HD1 ILE 53 -5.654 -0.339 10.706 444 2HD1 ILE 53 2HD1 ILE 53 -4.044 0.032 11.315 445 3HD1 ILE 53 3HD1 ILE 53 -4.229 -0.772 9.754 446 H ILE 54 H ILE 54 -6.317 -1.313 6.038 447 HA ILE 54 HA ILE 54 -6.726 0.179 3.646 448 HB ILE 54 HB ILE 54 -8.103 -2.370 4.600 449 1HG1 ILE 54 1HG1 ILE 54 -5.715 -2.034 2.767 450 2HG1 ILE 54 2HG1 ILE 54 -5.622 -2.540 4.446 451 1HG2 ILE 54 1HG2 ILE 54 -9.360 -1.282 2.800 452 2HG2 ILE 54 2HG2 ILE 54 -8.628 -2.790 2.255 453 3HG2 ILE 54 3HG2 ILE 54 -7.905 -1.249 1.801 454 1HD1 ILE 54 1HD1 ILE 54 -5.427 -4.433 2.937 455 2HD1 ILE 54 2HD1 ILE 54 -6.986 -4.035 2.211 456 3HD1 ILE 54 3HD1 ILE 54 -6.904 -4.557 3.893 457 H GLY 55 H GLY 55 -8.567 -0.355 6.530 458 1HA GLY 55 1HA GLY 55 -10.180 1.214 7.328 459 2HA GLY 55 2HA GLY 55 -10.449 1.732 5.664 460 H ILE 56 H ILE 56 -10.457 -1.021 4.797 461 HA ILE 56 HA ILE 56 -13.236 -1.654 5.424 462 HB ILE 56 HB ILE 56 -11.381 -2.840 3.321 463 1HG1 ILE 56 1HG1 ILE 56 -13.583 -0.798 2.943 464 2HG1 ILE 56 2HG1 ILE 56 -11.866 -0.412 2.992 465 1HG2 ILE 56 1HG2 ILE 56 -13.456 -3.724 2.319 466 2HG2 ILE 56 2HG2 ILE 56 -14.378 -3.068 3.670 467 3HG2 ILE 56 3HG2 ILE 56 -13.200 -4.348 3.950 468 1HD1 ILE 56 1HD1 ILE 56 -13.217 -2.184 0.974 469 2HD1 ILE 56 2HD1 ILE 56 -11.501 -1.775 1.007 470 3HD1 ILE 56 3HD1 ILE 56 -12.702 -0.519 0.707 471 HA PRO 57 HA PRO 57 -11.382 -4.703 8.245 472 1HB PRO 57 1HB PRO 57 -14.149 -5.711 8.416 473 2HB PRO 57 2HB PRO 57 -13.098 -5.121 9.704 474 1HG PRO 57 1HG PRO 57 -15.190 -3.693 8.856 475 2HG PRO 57 2HG PRO 57 -13.671 -2.910 9.335 476 1HD PRO 57 1HD PRO 57 -14.724 -3.496 6.595 477 2HD PRO 57 2HD PRO 57 -13.917 -2.037 7.220 478 HA PRO 58 HA PRO 58 -11.747 -8.132 5.285 479 1HB PRO 58 1HB PRO 58 -9.165 -8.463 4.829 480 2HB PRO 58 2HB PRO 58 -10.008 -7.041 4.201 481 1HG PRO 58 1HG PRO 58 -8.012 -7.208 6.375 482 2HG PRO 58 2HG PRO 58 -8.515 -5.805 5.421 483 1HD PRO 58 1HD PRO 58 -9.452 -6.652 8.058 484 2HD PRO 58 2HD PRO 58 -9.759 -5.131 7.188 485 H VAL 59 H VAL 59 -10.381 -10.224 5.209 486 HA VAL 59 HA VAL 59 -10.418 -11.543 7.752 487 HB VAL 59 HB VAL 59 -9.431 -12.504 5.031 488 1HG1 VAL 59 1HG1 VAL 59 -8.545 -13.851 6.851 489 2HG1 VAL 59 2HG1 VAL 59 -9.734 -14.767 5.924 490 3HG1 VAL 59 3HG1 VAL 59 -10.173 -14.081 7.489 491 1HG2 VAL 59 1HG2 VAL 59 -11.600 -13.612 4.804 492 2HG2 VAL 59 2HG2 VAL 59 -11.793 -11.864 4.968 493 3HG2 VAL 59 3HG2 VAL 59 -12.115 -12.919 6.340 494 HA PRO 60 HA PRO 60 -6.163 -10.061 8.024 495 1HB PRO 60 1HB PRO 60 -5.984 -10.719 10.784 496 2HB PRO 60 2HB PRO 60 -6.321 -9.138 10.077 497 1HG PRO 60 1HG PRO 60 -8.141 -10.642 11.551 498 2HG PRO 60 2HG PRO 60 -8.561 -9.331 10.440 499 1HD PRO 60 1HD PRO 60 -8.614 -12.293 9.980 500 2HD PRO 60 2HD PRO 60 -9.746 -11.035 9.436 501 H ILE 61 H ILE 61 -5.373 -11.804 6.739 502 HA ILE 61 HA ILE 61 -3.771 -13.655 8.310 503 HB ILE 61 HB ILE 61 -5.297 -14.277 5.733 504 1HG1 ILE 61 1HG1 ILE 61 -5.520 -15.550 8.471 505 2HG1 ILE 61 2HG1 ILE 61 -6.674 -14.420 7.779 506 1HG2 ILE 61 1HG2 ILE 61 -4.326 -16.540 5.840 507 2HG2 ILE 61 2HG2 ILE 61 -3.330 -16.034 7.204 508 3HG2 ILE 61 3HG2 ILE 61 -3.092 -15.299 5.622 509 1HD1 ILE 61 1HD1 ILE 61 -7.478 -16.702 7.633 510 2HD1 ILE 61 2HD1 ILE 61 -6.026 -17.175 6.753 511 3HD1 ILE 61 3HD1 ILE 61 -7.178 -16.058 6.017 512 H GLY 62 H GLY 62 -1.650 -13.895 7.336 513 1HA GLY 62 1HA GLY 62 -0.890 -13.215 4.826 514 2HA GLY 62 2HA GLY 62 -0.968 -11.687 5.707 515 H ILE 63 H ILE 63 1.385 -12.965 4.569 516 HA ILE 63 HA ILE 63 2.959 -12.998 7.039 517 HB ILE 63 HB ILE 63 3.511 -14.927 4.746 518 1HG1 ILE 63 1HG1 ILE 63 3.085 -16.744 6.583 519 2HG1 ILE 63 2HG1 ILE 63 2.166 -15.487 7.395 520 1HG2 ILE 63 1HG2 ILE 63 4.817 -14.668 7.444 521 2HG2 ILE 63 2HG2 ILE 63 5.512 -14.241 5.880 522 3HG2 ILE 63 3HG2 ILE 63 5.168 -15.930 6.262 523 1HD1 ILE 63 1HD1 ILE 63 0.681 -15.337 5.449 524 2HD1 ILE 63 2HD1 ILE 63 0.717 -16.967 6.122 525 3HD1 ILE 63 3HD1 ILE 63 1.611 -16.603 4.646 526 H ASP 64 H ASP 64 4.817 -11.783 6.839 527 HA ASP 64 HA ASP 64 5.352 -10.624 4.201 528 1HB ASP 64 1HB ASP 64 6.068 -9.700 7.002 529 2HB ASP 64 2HB ASP 64 6.851 -9.047 5.578 530 H GLU 65 H GLU 65 6.806 -11.869 3.147 531 HA GLU 65 HA GLU 65 8.676 -13.556 4.395 532 1HB GLU 65 1HB GLU 65 8.312 -12.487 1.637 533 2HB GLU 65 2HB GLU 65 9.840 -13.244 2.042 534 1HG GLU 65 1HG GLU 65 8.183 -14.718 0.949 535 2HG GLU 65 2HG GLU 65 8.794 -15.309 2.490 536 H GLU 66 H GLU 66 9.115 -10.496 2.734 537 HA GLU 66 HA GLU 66 11.051 -9.606 4.599 538 1HB GLU 66 1HB GLU 66 12.066 -11.246 2.656 539 2HB GLU 66 2HB GLU 66 12.110 -9.703 1.823 540 1HG GLU 66 1HG GLU 66 13.487 -10.413 4.395 541 2HG GLU 66 2HG GLU 66 14.229 -10.109 2.809 542 H ARG 67 H ARG 67 11.801 -7.391 3.607 543 HA ARG 67 HA ARG 67 9.441 -6.240 2.515 544 1HB ARG 67 1HB ARG 67 10.574 -5.058 4.341 545 2HB ARG 67 2HB ARG 67 12.018 -4.908 3.339 546 1HG ARG 67 1HG ARG 67 10.594 -2.833 3.446 547 2HG ARG 67 2HG ARG 67 10.935 -3.446 1.832 548 1HD ARG 67 1HD ARG 67 8.597 -2.830 2.072 549 2HD ARG 67 2HD ARG 67 8.883 -4.530 1.696 550 HE ARG 67 HE ARG 67 8.387 -3.772 4.511 551 1HH1 ARG 67 1HH1 ARG 67 7.244 -5.569 1.631 552 2HH1 ARG 67 2HH1 ARG 67 6.152 -6.509 2.558 553 1HH2 ARG 67 1HH2 ARG 67 6.923 -5.160 5.689 554 2HH2 ARG 67 2HH2 ARG 67 6.000 -6.317 4.857 555 H SER 68 H SER 68 12.670 -6.934 1.675 556 HA SER 68 HA SER 68 12.354 -5.770 -0.945 557 1HB SER 68 1HB SER 68 14.463 -5.460 0.298 558 2HB SER 68 2HB SER 68 14.740 -7.197 0.308 559 HG SER 68 HG SER 68 14.329 -5.733 -2.037 560 H THR 69 H THR 69 10.696 -7.845 -0.178 561 HA THR 69 HA THR 69 10.994 -9.670 -2.361 562 HB THR 69 HB THR 69 10.716 -10.689 0.510 563 HG1 THR 69 HG1 THR 69 12.898 -10.191 -1.044 564 1HG2 THR 69 1HG2 THR 69 9.598 -12.133 -1.150 565 2HG2 THR 69 2HG2 THR 69 11.008 -12.939 -0.467 566 3HG2 THR 69 3HG2 THR 69 11.092 -12.233 -2.079 567 H VAL 70 H VAL 70 8.812 -10.864 -2.444 568 HA VAL 70 HA VAL 70 6.676 -9.013 -1.941 569 HB VAL 70 HB VAL 70 5.208 -10.749 -2.817 570 1HG1 VAL 70 1HG1 VAL 70 7.702 -10.485 -4.467 571 2HG1 VAL 70 2HG1 VAL 70 6.421 -9.298 -4.324 572 3HG1 VAL 70 3HG1 VAL 70 6.081 -10.868 -5.066 573 1HG2 VAL 70 1HG2 VAL 70 6.283 -12.730 -1.866 574 2HG2 VAL 70 2HG2 VAL 70 7.668 -12.507 -2.935 575 3HG2 VAL 70 3HG2 VAL 70 6.089 -12.907 -3.610 576 H MET 71 H MET 71 4.904 -9.418 -0.756 577 HA MET 71 HA MET 71 5.296 -11.127 1.582 578 1HB MET 71 1HB MET 71 4.038 -9.439 2.878 579 2HB MET 71 2HB MET 71 5.492 -8.729 2.195 580 1HG MET 71 1HG MET 71 4.105 -7.765 0.376 581 2HG MET 71 2HG MET 71 2.673 -8.400 1.177 582 1HE MET 71 1HE MET 71 1.557 -5.983 1.253 583 2HE MET 71 2HE MET 71 2.953 -5.372 0.374 584 3HE MET 71 3HE MET 71 2.398 -4.546 1.832 585 H ILE 72 H ILE 72 3.342 -12.197 2.184 586 HA ILE 72 HA ILE 72 1.336 -11.928 0.107 587 HB ILE 72 HB ILE 72 2.467 -13.990 -0.295 588 1HG1 ILE 72 1HG1 ILE 72 0.611 -15.656 -0.120 589 2HG1 ILE 72 2HG1 ILE 72 -0.242 -14.540 0.937 590 1HG2 ILE 72 1HG2 ILE 72 1.909 -14.799 2.528 591 2HG2 ILE 72 2HG2 ILE 72 3.477 -14.445 1.803 592 3HG2 ILE 72 3HG2 ILE 72 2.559 -15.856 1.276 593 1HD1 ILE 72 1HD1 ILE 72 0.502 -14.023 -1.936 594 2HD1 ILE 72 2HD1 ILE 72 -0.380 -12.917 -0.880 595 3HD1 ILE 72 3HD1 ILE 72 -1.097 -14.459 -1.339 596 HA PRO 73 HA PRO 73 -0.998 -11.367 3.850 597 1HB PRO 73 1HB PRO 73 -2.307 -9.101 2.808 598 2HB PRO 73 2HB PRO 73 -0.956 -9.104 3.948 599 1HG PRO 73 1HG PRO 73 -0.882 -8.155 1.290 600 2HG PRO 73 2HG PRO 73 0.508 -8.440 2.346 601 1HD PRO 73 1HD PRO 73 -0.627 -10.162 0.196 602 2HD PRO 73 2HD PRO 73 1.060 -9.978 0.736 603 H TYR 74 H TYR 74 -2.777 -12.646 3.936 604 HA TYR 74 HA TYR 74 -4.274 -12.782 1.488 605 1HB TYR 74 1HB TYR 74 -3.419 -14.991 2.338 606 2HB TYR 74 2HB TYR 74 -4.481 -14.757 3.741 607 HD1 TYR 74 HD1 TYR 74 -6.680 -15.563 3.659 608 HD2 TYR 74 HD2 TYR 74 -4.618 -14.768 0.026 609 HE1 TYR 74 HE1 TYR 74 -8.616 -16.379 2.377 610 HE2 TYR 74 HE2 TYR 74 -6.537 -15.586 -1.254 611 HH TYR 74 HH TYR 74 -8.421 -17.066 -0.928 612 H THR 75 H THR 75 -5.398 -11.018 1.783 613 HA THR 75 HA THR 75 -7.145 -11.070 4.058 614 HB THR 75 HB THR 75 -7.230 -8.559 3.728 615 HG1 THR 75 HG1 THR 75 -4.847 -8.303 2.602 616 1HG2 THR 75 1HG2 THR 75 -5.071 -8.136 4.846 617 2HG2 THR 75 2HG2 THR 75 -4.530 -9.753 4.398 618 3HG2 THR 75 3HG2 THR 75 -5.874 -9.555 5.521 619 H LYS 76 H LYS 76 -9.292 -10.307 3.558 620 HA LYS 76 HA LYS 76 -9.892 -10.204 0.696 621 1HB LYS 76 1HB LYS 76 -11.606 -11.461 2.853 622 2HB LYS 76 2HB LYS 76 -12.177 -11.124 1.229 623 1HG LYS 76 1HG LYS 76 -10.426 -12.644 0.351 624 2HG LYS 76 2HG LYS 76 -9.987 -13.035 2.014 625 1HD LYS 76 1HD LYS 76 -12.230 -13.891 2.429 626 2HD LYS 76 2HD LYS 76 -12.721 -13.444 0.795 627 1HE LYS 76 1HE LYS 76 -11.073 -14.996 -0.126 628 2HE LYS 76 2HE LYS 76 -10.572 -15.436 1.502 629 1HZ LYS 76 1HZ LYS 76 -12.805 -16.314 1.892 630 2HZ LYS 76 2HZ LYS 76 -12.074 -17.059 0.582 631 3HZ LYS 76 3HZ LYS 76 -13.258 -15.905 0.319 632 HA PRO 77 HA PRO 77 -11.565 -6.359 2.377 633 1HB PRO 77 1HB PRO 77 -10.156 -4.809 0.490 634 2HB PRO 77 2HB PRO 77 -9.687 -5.065 2.170 635 1HG PRO 77 1HG PRO 77 -8.284 -5.972 -0.095 636 2HG PRO 77 2HG PRO 77 -8.019 -6.490 1.576 637 1HD PRO 77 1HD PRO 77 -9.570 -7.815 -0.600 638 2HD PRO 77 2HD PRO 77 -8.602 -8.538 0.707 639 H CYS 78 H CYS 78 -12.535 -4.460 0.856 640 HA CYS 78 HA CYS 78 -13.918 -5.900 -1.257 641 1HB CYS 78 1HB CYS 78 -15.287 -4.733 0.458 642 2HB CYS 78 2HB CYS 78 -14.580 -3.206 -0.034 643 HG CYS 78 HG CYS 78 -16.114 -2.739 -2.048 644 H TYR 79 H TYR 79 -11.314 -3.917 -0.870 645 HA TYR 79 HA TYR 79 -11.561 -2.807 -3.560 646 1HB TYR 79 1HB TYR 79 -10.922 -1.167 -1.796 647 2HB TYR 79 2HB TYR 79 -9.530 -2.153 -1.380 648 HD1 TYR 79 HD1 TYR 79 -11.010 -0.213 -4.210 649 HD2 TYR 79 HD2 TYR 79 -7.454 -1.709 -2.412 650 HE1 TYR 79 HE1 TYR 79 -9.658 1.085 -5.807 651 HE2 TYR 79 HE2 TYR 79 -6.095 -0.415 -4.006 652 HH TYR 79 HH TYR 79 -6.360 0.550 -6.261 653 H GLY 80 H GLY 80 -8.573 -3.770 -1.837 654 1HA GLY 80 1HA GLY 80 -8.281 -6.182 -3.211 655 2HA GLY 80 2HA GLY 80 -7.399 -4.889 -4.015 656 H THR 81 H THR 81 -6.074 -6.940 -3.013 657 HA THR 81 HA THR 81 -4.935 -6.120 -0.476 658 HB THR 81 HB THR 81 -4.472 -8.602 -2.130 659 HG1 THR 81 HG1 THR 81 -5.952 -8.511 0.295 660 1HG2 THR 81 1HG2 THR 81 -3.796 -7.983 0.754 661 2HG2 THR 81 2HG2 THR 81 -2.642 -8.104 -0.574 662 3HG2 THR 81 3HG2 THR 81 -3.531 -9.533 -0.043 663 H ALA 82 H ALA 82 -2.756 -5.777 -0.306 664 HA ALA 82 HA ALA 82 -1.539 -4.815 -2.766 665 1HB ALA 82 1HB ALA 82 -1.195 -3.965 0.095 666 2HB ALA 82 2HB ALA 82 -2.105 -3.110 -1.149 667 3HB ALA 82 3HB ALA 82 -0.354 -3.281 -1.292 668 H VAL 83 H VAL 83 0.236 -5.907 -3.382 669 HA VAL 83 HA VAL 83 1.965 -7.161 -1.360 670 HB VAL 83 HB VAL 83 1.593 -7.943 -4.283 671 1HG1 VAL 83 1HG1 VAL 83 2.914 -9.922 -3.682 672 2HG1 VAL 83 2HG1 VAL 83 3.050 -9.323 -2.032 673 3HG1 VAL 83 3HG1 VAL 83 3.804 -8.433 -3.353 674 1HG2 VAL 83 1HG2 VAL 83 -0.441 -8.521 -3.068 675 2HG2 VAL 83 2HG2 VAL 83 0.511 -9.351 -1.839 676 3HG2 VAL 83 3HG2 VAL 83 0.457 -9.982 -3.484 677 H VAL 84 H VAL 84 3.979 -6.214 -1.376 678 HA VAL 84 HA VAL 84 4.616 -4.594 -3.715 679 HB VAL 84 HB VAL 84 5.406 -2.700 -2.360 680 1HG1 VAL 84 1HG1 VAL 84 3.449 -1.918 -1.254 681 2HG1 VAL 84 2HG1 VAL 84 2.734 -3.527 -1.376 682 3HG1 VAL 84 3HG1 VAL 84 3.122 -2.619 -2.838 683 1HG2 VAL 84 1HG2 VAL 84 6.379 -3.961 -0.473 684 2HG2 VAL 84 2HG2 VAL 84 4.760 -4.352 0.099 685 3HG2 VAL 84 3HG2 VAL 84 5.310 -2.676 0.092 686 H GLU 85 H GLU 85 6.797 -4.587 -4.271 687 HA GLU 85 HA GLU 85 8.532 -6.232 -2.578 688 1HB GLU 85 1HB GLU 85 7.681 -7.508 -4.579 689 2HB GLU 85 2HB GLU 85 8.491 -6.307 -5.592 690 1HG GLU 85 1HG GLU 85 10.616 -6.915 -4.412 691 2HG GLU 85 2HG GLU 85 9.732 -8.254 -3.684 692 H LEU 86 H LEU 86 10.083 -4.891 -1.958 693 HA LEU 86 HA LEU 86 10.764 -2.670 -3.701 694 1HB LEU 86 1HB LEU 86 10.282 -2.336 -1.281 695 2HB LEU 86 2HB LEU 86 11.673 -3.333 -0.900 696 HG LEU 86 HG LEU 86 13.040 -1.631 -2.190 697 1HD1 LEU 86 1HD1 LEU 86 10.558 0.017 -1.856 698 2HD1 LEU 86 2HD1 LEU 86 11.299 -0.493 -3.374 699 3HD1 LEU 86 3HD1 LEU 86 12.144 0.631 -2.316 700 1HD2 LEU 86 1HD2 LEU 86 11.676 -0.805 0.363 701 2HD2 LEU 86 2HD2 LEU 86 13.188 -0.141 -0.258 702 3HD2 LEU 86 3HD2 LEU 86 13.103 -1.834 0.227 703 HA PRO 87 HA PRO 87 14.326 -5.202 -4.833 704 1HB PRO 87 1HB PRO 87 15.652 -3.439 -6.379 705 2HB PRO 87 2HB PRO 87 14.156 -4.211 -6.917 706 1HG PRO 87 1HG PRO 87 14.581 -1.474 -5.802 707 2HG PRO 87 2HG PRO 87 13.541 -1.991 -7.142 708 1HD PRO 87 1HD PRO 87 12.658 -1.481 -4.596 709 2HD PRO 87 2HD PRO 87 11.831 -2.567 -5.731 710 H VAL 88 H VAL 88 14.369 -2.481 -2.920 711 HA VAL 88 HA VAL 88 17.255 -2.553 -2.397 712 HB VAL 88 HB VAL 88 15.249 -0.568 -1.336 713 1HG1 VAL 88 1HG1 VAL 88 17.175 0.920 -1.039 714 2HG1 VAL 88 2HG1 VAL 88 18.236 -0.353 -1.642 715 3HG1 VAL 88 3HG1 VAL 88 17.344 -0.588 -0.139 716 1HG2 VAL 88 1HG2 VAL 88 16.856 -0.293 -3.875 717 2HG2 VAL 88 2HG2 VAL 88 15.927 1.000 -3.119 718 3HG2 VAL 88 3HG2 VAL 88 15.102 -0.426 -3.751 719 H ASP 89 H ASP 89 17.846 -2.642 -0.168 720 HA ASP 89 HA ASP 89 16.591 -4.621 1.340 721 1HB ASP 89 1HB ASP 89 18.624 -2.530 2.132 722 2HB ASP 89 2HB ASP 89 18.149 -3.849 3.195 723 HA PRO 90 HA PRO 90 13.362 -2.765 3.694 724 1HB PRO 90 1HB PRO 90 13.924 -3.633 6.283 725 2HB PRO 90 2HB PRO 90 13.058 -4.566 5.064 726 1HG PRO 90 1HG PRO 90 15.944 -4.648 5.822 727 2HG PRO 90 2HG PRO 90 14.846 -5.988 5.436 728 1HD PRO 90 1HD PRO 90 16.624 -5.143 3.653 729 2HD PRO 90 2HD PRO 90 14.988 -5.606 3.147 730 H GLU 91 H GLU 91 16.552 -1.917 4.317 731 HA GLU 91 HA GLU 91 16.411 -0.129 6.500 732 1HB GLU 91 1HB GLU 91 18.490 0.821 5.547 733 2HB GLU 91 2HB GLU 91 18.533 -0.934 5.653 734 1HG GLU 91 1HG GLU 91 17.956 -1.069 3.271 735 2HG GLU 91 2HG GLU 91 17.984 0.684 3.178 736 H GLU 92 H GLU 92 15.396 0.083 3.223 737 HA GLU 92 HA GLU 92 15.312 2.864 2.781 738 1HB GLU 92 1HB GLU 92 14.976 1.051 1.078 739 2HB GLU 92 2HB GLU 92 13.404 0.741 1.789 740 1HG GLU 92 1HG GLU 92 12.962 2.043 -0.100 741 2HG GLU 92 2HG GLU 92 12.861 3.165 1.254 742 H ILE 93 H ILE 93 13.287 0.689 4.597 743 HA ILE 93 HA ILE 93 10.923 2.184 4.756 744 HB ILE 93 HB ILE 93 12.085 0.310 6.835 745 1HG1 ILE 93 1HG1 ILE 93 10.019 -0.247 4.695 746 2HG1 ILE 93 2HG1 ILE 93 11.716 -0.714 4.596 747 1HG2 ILE 93 1HG2 ILE 93 9.250 1.315 6.514 748 2HG2 ILE 93 2HG2 ILE 93 10.360 1.738 7.816 749 3HG2 ILE 93 3HG2 ILE 93 9.772 0.083 7.663 750 1HD1 ILE 93 1HD1 ILE 93 10.262 -2.575 5.312 751 2HD1 ILE 93 2HD1 ILE 93 9.793 -1.617 6.715 752 3HD1 ILE 93 3HD1 ILE 93 11.463 -2.138 6.527 753 H GLU 94 H GLU 94 13.892 2.339 6.645 754 HA GLU 94 HA GLU 94 12.988 3.977 8.745 755 1HB GLU 94 1HB GLU 94 15.726 4.008 7.491 756 2HB GLU 94 2HB GLU 94 15.308 4.484 9.129 757 1HG GLU 94 1HG GLU 94 14.696 2.176 9.640 758 2HG GLU 94 2HG GLU 94 15.127 1.709 7.997 759 H ARG 95 H ARG 95 14.412 4.746 5.646 760 HA ARG 95 HA ARG 95 14.432 7.570 5.822 761 1HB ARG 95 1HB ARG 95 15.723 6.273 4.224 762 2HB ARG 95 2HB ARG 95 14.256 5.628 3.527 763 1HG ARG 95 1HG ARG 95 13.690 7.955 2.792 764 2HG ARG 95 2HG ARG 95 15.313 8.432 3.331 765 1HD ARG 95 1HD ARG 95 16.296 6.734 1.899 766 2HD ARG 95 2HD ARG 95 14.694 6.246 1.384 767 HE ARG 95 HE ARG 95 15.292 8.996 0.850 768 1HH1 ARG 95 1HH1 ARG 95 15.427 5.645 -0.343 769 2HH1 ARG 95 2HH1 ARG 95 15.708 6.090 -1.959 770 1HH2 ARG 95 1HH2 ARG 95 15.686 9.584 -1.399 771 2HH2 ARG 95 2HH2 ARG 95 15.833 8.344 -2.566 772 H ILE 96 H ILE 96 12.251 5.215 4.425 773 HA ILE 96 HA ILE 96 10.334 6.979 3.406 774 HB ILE 96 HB ILE 96 10.483 4.069 3.953 775 1HG1 ILE 96 1HG1 ILE 96 11.746 4.839 2.072 776 2HG1 ILE 96 2HG1 ILE 96 10.416 3.842 1.496 777 1HG2 ILE 96 1HG2 ILE 96 8.366 3.622 2.803 778 2HG2 ILE 96 2HG2 ILE 96 8.047 5.351 2.747 779 3HG2 ILE 96 3HG2 ILE 96 8.132 4.522 4.303 780 1HD1 ILE 96 1HD1 ILE 96 10.726 5.748 0.053 781 2HD1 ILE 96 2HD1 ILE 96 10.589 6.857 1.408 782 3HD1 ILE 96 3HD1 ILE 96 9.189 5.907 0.901 783 H LEU 97 H LEU 97 10.720 5.612 6.585 784 HA LEU 97 HA LEU 97 8.073 6.076 7.456 785 1HB LEU 97 1HB LEU 97 9.643 4.493 8.534 786 2HB LEU 97 2HB LEU 97 10.604 5.846 9.084 787 HG LEU 97 HG LEU 97 8.759 6.586 10.527 788 1HD1 LEU 97 1HD1 LEU 97 6.799 5.146 10.851 789 2HD1 LEU 97 2HD1 LEU 97 7.337 4.119 9.522 790 3HD1 LEU 97 3HD1 LEU 97 6.869 5.791 9.214 791 1HD2 LEU 97 1HD2 LEU 97 9.468 3.676 10.857 792 2HD2 LEU 97 2HD2 LEU 97 8.853 4.741 12.122 793 3HD2 LEU 97 3HD2 LEU 97 10.435 5.045 11.402 794 H GLU 98 H GLU 98 10.934 8.051 7.303 795 HA GLU 98 HA GLU 98 9.851 10.211 8.886 796 1HB GLU 98 1HB GLU 98 12.311 9.865 8.513 797 2HB GLU 98 2HB GLU 98 12.035 10.234 6.817 798 1HG GLU 98 1HG GLU 98 11.331 12.478 7.336 799 2HG GLU 98 2HG GLU 98 11.464 12.159 9.061 800 H VAL 99 H VAL 99 10.171 9.324 5.587 801 HA VAL 99 HA VAL 99 8.998 11.693 4.476 802 HB VAL 99 HB VAL 99 9.817 9.036 3.272 803 1HG1 VAL 99 1HG1 VAL 99 9.897 10.226 1.083 804 2HG1 VAL 99 2HG1 VAL 99 9.302 11.690 1.863 805 3HG1 VAL 99 3HG1 VAL 99 8.263 10.271 1.752 806 1HG2 VAL 99 1HG2 VAL 99 11.662 10.185 4.289 807 2HG2 VAL 99 2HG2 VAL 99 11.293 11.648 3.368 808 3HG2 VAL 99 3HG2 VAL 99 11.823 10.186 2.534 809 H ALA 100 H ALA 100 7.640 9.365 6.207 810 HA ALA 100 HA ALA 100 5.519 8.171 4.847 811 1HB ALA 100 1HB ALA 100 5.528 9.097 7.708 812 2HB ALA 100 2HB ALA 100 6.186 7.568 7.127 813 3HB ALA 100 3HB ALA 100 4.455 7.890 7.001 814 H GLU 101 H GLU 101 5.676 11.251 6.447 815 HA GLU 101 HA GLU 101 3.208 11.928 5.122 816 1HB GLU 101 1HB GLU 101 3.989 12.581 7.958 817 2HB GLU 101 2HB GLU 101 2.644 13.328 7.120 818 1HG GLU 101 1HG GLU 101 1.561 11.149 6.920 819 2HG GLU 101 2HG GLU 101 2.930 10.397 7.743 820 HA PRO 102 HA PRO 102 6.336 15.100 4.112 821 1HB PRO 102 1HB PRO 102 4.716 15.343 1.663 822 2HB PRO 102 2HB PRO 102 6.430 14.929 1.823 823 1HG PRO 102 1HG PRO 102 4.668 13.042 1.070 824 2HG PRO 102 2HG PRO 102 5.989 12.673 2.204 825 1HD PRO 102 1HD PRO 102 3.144 13.355 2.835 826 2HD PRO 102 2HD PRO 102 4.112 11.946 3.349 Start of MODEL 19 1 H HIS 1 H HIS 1 3.776 6.270 -12.100 2 HA HIS 1 HA HIS 1 1.429 7.988 -11.748 3 1HB HIS 1 1HB HIS 1 1.759 4.989 -11.436 4 2HB HIS 1 2HB HIS 1 0.386 5.885 -10.802 5 HD1 HIS 1 HD1 HIS 1 -1.568 6.222 -12.420 6 HD2 HIS 1 HD2 HIS 1 1.961 5.097 -14.322 7 HE1 HIS 1 HE1 HIS 1 -2.164 5.798 -14.821 8 H MET 2 H MET 2 0.875 8.404 -9.689 9 HA MET 2 HA MET 2 2.132 7.501 -7.362 10 1HB MET 2 1HB MET 2 3.101 9.780 -6.805 11 2HB MET 2 2HB MET 2 4.081 8.714 -7.809 12 1HG MET 2 1HG MET 2 3.310 10.010 -9.793 13 2HG MET 2 2HG MET 2 2.452 11.099 -8.707 14 1HE MET 2 1HE MET 2 4.786 11.818 -10.944 15 2HE MET 2 2HE MET 2 5.622 13.103 -10.077 16 3HE MET 2 3HE MET 2 3.861 13.037 -10.071 17 H THR 3 H THR 3 0.774 7.950 -5.783 18 HA THR 3 HA THR 3 -1.294 9.892 -6.430 19 HB THR 3 HB THR 3 -2.207 7.688 -6.516 20 HG1 THR 3 HG1 THR 3 -3.502 8.105 -4.266 21 1HG2 THR 3 1HG2 THR 3 -2.331 6.224 -4.520 22 2HG2 THR 3 2HG2 THR 3 -1.317 7.369 -3.642 23 3HG2 THR 3 3HG2 THR 3 -0.665 6.502 -5.032 24 H PHE 4 H PHE 4 -1.636 11.448 -5.185 25 HA PHE 4 HA PHE 4 -0.727 11.349 -2.417 26 1HB PHE 4 1HB PHE 4 -0.502 13.739 -4.296 27 2HB PHE 4 2HB PHE 4 -0.005 13.696 -2.602 28 HD1 PHE 4 HD1 PHE 4 0.874 12.851 -5.993 29 HD2 PHE 4 HD2 PHE 4 1.860 12.268 -1.915 30 HE1 PHE 4 HE1 PHE 4 3.030 11.897 -6.653 31 HE2 PHE 4 HE2 PHE 4 4.021 11.325 -2.569 32 HZ PHE 4 HZ PHE 4 4.594 11.098 -4.920 33 H CYS 5 H CYS 5 -3.312 10.949 -3.821 34 HA CYS 5 HA CYS 5 -4.924 12.855 -2.278 35 1HB CYS 5 1HB CYS 5 -5.492 11.871 -5.084 36 2HB CYS 5 2HB CYS 5 -6.629 12.770 -4.086 37 HG CYS 5 HG CYS 5 -4.005 13.829 -5.865 38 H LEU 6 H LEU 6 -5.434 11.662 -0.629 39 HA LEU 6 HA LEU 6 -5.852 8.909 -1.092 40 1HB LEU 6 1HB LEU 6 -5.836 8.497 1.208 41 2HB LEU 6 2HB LEU 6 -4.624 9.685 0.883 42 HG LEU 6 HG LEU 6 -5.475 10.140 2.945 43 1HD1 LEU 6 1HD1 LEU 6 -6.722 12.124 1.110 44 2HD1 LEU 6 2HD1 LEU 6 -5.104 12.153 1.819 45 3HD1 LEU 6 3HD1 LEU 6 -6.524 12.350 2.846 46 1HD2 LEU 6 1HD2 LEU 6 -8.268 9.938 1.859 47 2HD2 LEU 6 2HD2 LEU 6 -7.900 10.557 3.461 48 3HD2 LEU 6 3HD2 LEU 6 -7.492 8.889 3.047 49 H GLU 7 H GLU 7 -7.896 11.607 -0.127 50 HA GLU 7 HA GLU 7 -10.097 9.902 0.263 51 1HB GLU 7 1HB GLU 7 -9.986 11.785 1.644 52 2HB GLU 7 2HB GLU 7 -9.825 12.911 0.330 53 1HG GLU 7 1HG GLU 7 -12.176 12.456 -0.286 54 2HG GLU 7 2HG GLU 7 -12.280 11.299 1.037 55 H THR 8 H THR 8 -8.667 10.762 -2.407 56 HA THR 8 HA THR 8 -10.958 11.254 -4.076 57 HB THR 8 HB THR 8 -8.155 10.445 -4.911 58 HG1 THR 8 HG1 THR 8 -9.216 12.760 -3.943 59 1HG2 THR 8 1HG2 THR 8 -9.849 10.120 -6.679 60 2HG2 THR 8 2HG2 THR 8 -8.754 11.442 -7.086 61 3HG2 THR 8 3HG2 THR 8 -10.374 11.792 -6.481 62 H TYR 9 H TYR 9 -9.158 8.526 -2.830 63 HA TYR 9 HA TYR 9 -10.306 6.678 -4.683 64 1HB TYR 9 1HB TYR 9 -8.778 6.257 -2.124 65 2HB TYR 9 2HB TYR 9 -9.484 4.920 -3.028 66 HD1 TYR 9 HD1 TYR 9 -6.646 6.984 -2.655 67 HD2 TYR 9 HD2 TYR 9 -8.849 4.775 -5.532 68 HE1 TYR 9 HE1 TYR 9 -4.680 6.921 -4.107 69 HE2 TYR 9 HE2 TYR 9 -6.883 4.707 -7.002 70 HH TYR 9 HH TYR 9 -3.844 5.425 -5.892 71 H LEU 10 H LEU 10 -11.273 8.125 -1.761 72 HA LEU 10 HA LEU 10 -13.259 6.239 -1.037 73 1HB LEU 10 1HB LEU 10 -12.365 7.871 0.558 74 2HB LEU 10 2HB LEU 10 -12.998 9.184 -0.409 75 HG LEU 10 HG LEU 10 -15.297 8.351 0.065 76 1HD1 LEU 10 1HD1 LEU 10 -15.640 6.793 1.901 77 2HD1 LEU 10 2HD1 LEU 10 -13.903 6.532 2.015 78 3HD1 LEU 10 3HD1 LEU 10 -14.777 6.035 0.564 79 1HD2 LEU 10 1HD2 LEU 10 -14.355 10.196 1.324 80 2HD2 LEU 10 2HD2 LEU 10 -13.602 9.067 2.448 81 3HD2 LEU 10 3HD2 LEU 10 -15.361 9.192 2.366 82 H GLN 11 H GLN 11 -12.940 8.642 -3.379 83 HA GLN 11 HA GLN 11 -15.764 8.984 -3.882 84 1HB GLN 11 1HB GLN 11 -13.335 10.076 -5.300 85 2HB GLN 11 2HB GLN 11 -14.992 10.548 -5.640 86 1HG GLN 11 1HG GLN 11 -13.565 10.964 -3.021 87 2HG GLN 11 2HG GLN 11 -13.739 12.176 -4.280 88 1HE2 GLN 11 1HE2 GLN 11 -14.807 13.554 -2.945 89 2HE2 GLN 11 2HE2 GLN 11 -16.428 13.315 -2.417 90 H GLN 12 H GLN 12 -13.839 6.566 -4.370 91 HA GLN 12 HA GLN 12 -14.813 5.892 -7.075 92 1HB GLN 12 1HB GLN 12 -12.127 5.122 -5.898 93 2HB GLN 12 2HB GLN 12 -12.731 4.702 -7.492 94 1HG GLN 12 1HG GLN 12 -12.646 7.019 -8.177 95 2HG GLN 12 2HG GLN 12 -12.176 7.506 -6.554 96 1HE2 GLN 12 1HE2 GLN 12 -10.912 4.658 -8.203 97 2HE2 GLN 12 2HE2 GLN 12 -9.315 5.263 -8.382 98 H SER 13 H SER 13 -13.518 4.676 -3.990 99 HA SER 13 HA SER 13 -15.486 2.589 -3.829 100 1HB SER 13 1HB SER 13 -12.487 2.046 -3.864 101 2HB SER 13 2HB SER 13 -13.739 0.844 -3.539 102 HG SER 13 HG SER 13 -14.259 2.173 -5.775 103 H GLY 14 H GLY 14 -13.966 1.331 -1.600 104 1HA GLY 14 1HA GLY 14 -14.464 3.258 0.434 105 2HA GLY 14 2HA GLY 14 -13.705 1.679 0.645 106 H GLU 15 H GLU 15 -12.664 3.782 2.077 107 HA GLU 15 HA GLU 15 -10.493 4.995 0.589 108 1HB GLU 15 1HB GLU 15 -11.983 5.992 2.551 109 2HB GLU 15 2HB GLU 15 -10.867 5.105 3.571 110 1HG GLU 15 1HG GLU 15 -8.996 6.448 2.740 111 2HG GLU 15 2HG GLU 15 -10.057 7.221 1.577 112 H TYR 16 H TYR 16 -8.305 4.536 0.999 113 HA TYR 16 HA TYR 16 -7.935 1.975 2.282 114 1HB TYR 16 1HB TYR 16 -8.016 1.534 -0.012 115 2HB TYR 16 2HB TYR 16 -7.144 2.986 -0.438 116 HD1 TYR 16 HD1 TYR 16 -4.883 2.820 -0.982 117 HD2 TYR 16 HD2 TYR 16 -6.708 -0.410 1.100 118 HE1 TYR 16 HE1 TYR 16 -2.879 1.463 -1.353 119 HE2 TYR 16 HE2 TYR 16 -4.684 -1.782 0.731 120 HH TYR 16 HH TYR 16 -1.773 -0.347 -0.517 121 H GLU 17 H GLU 17 -7.670 4.745 3.097 122 HA GLU 17 HA GLU 17 -4.940 4.831 3.906 123 1HB GLU 17 1HB GLU 17 -6.342 7.137 2.555 124 2HB GLU 17 2HB GLU 17 -4.757 7.239 3.295 125 1HG GLU 17 1HG GLU 17 -3.979 6.885 1.214 126 2HG GLU 17 2HG GLU 17 -4.396 5.204 1.515 127 H ILE 18 H ILE 18 -4.773 6.698 5.746 128 HA ILE 18 HA ILE 18 -7.199 6.374 7.170 129 HB ILE 18 HB ILE 18 -4.788 5.741 8.109 130 1HG1 ILE 18 1HG1 ILE 18 -6.904 7.033 9.858 131 2HG1 ILE 18 2HG1 ILE 18 -6.882 5.349 9.353 132 1HG2 ILE 18 1HG2 ILE 18 -3.963 7.455 9.722 133 2HG2 ILE 18 2HG2 ILE 18 -4.914 8.650 8.828 134 3HG2 ILE 18 3HG2 ILE 18 -3.627 7.741 8.030 135 1HD1 ILE 18 1HD1 ILE 18 -6.144 5.529 11.636 136 2HD1 ILE 18 2HD1 ILE 18 -4.926 6.715 11.181 137 3HD1 ILE 18 3HD1 ILE 18 -4.770 5.050 10.634 138 H HIS 19 H HIS 19 -6.001 8.419 5.443 139 HA HIS 19 HA HIS 19 -6.350 10.585 4.749 140 1HB HIS 19 1HB HIS 19 -8.661 10.564 5.836 141 2HB HIS 19 2HB HIS 19 -7.910 11.137 7.323 142 HD1 HIS 19 HD1 HIS 19 -7.080 13.667 7.331 143 HD2 HIS 19 HD2 HIS 19 -8.986 12.470 3.838 144 HE1 HIS 19 HE1 HIS 19 -7.560 15.767 6.039 145 H MET 20 H MET 20 -4.257 10.669 4.857 146 HA MET 20 HA MET 20 -3.167 12.474 6.671 147 1HB MET 20 1HB MET 20 -3.151 10.000 7.650 148 2HB MET 20 2HB MET 20 -1.785 9.820 6.578 149 1HG MET 20 1HG MET 20 -2.079 11.693 8.866 150 2HG MET 20 2HG MET 20 -1.195 10.168 8.820 151 1HE MET 20 1HE MET 20 0.989 11.416 9.821 152 2HE MET 20 2HE MET 20 0.088 12.928 9.854 153 3HE MET 20 3HE MET 20 1.689 12.871 9.111 154 H LYS 21 H LYS 21 -0.565 12.249 5.874 155 HA LYS 21 HA LYS 21 -0.838 12.831 3.115 156 1HB LYS 21 1HB LYS 21 1.534 12.894 4.963 157 2HB LYS 21 2HB LYS 21 1.603 13.376 3.266 158 1HG LYS 21 1HG LYS 21 -0.024 15.097 3.626 159 2HG LYS 21 2HG LYS 21 -0.270 14.567 5.287 160 1HD LYS 21 1HD LYS 21 2.007 15.169 5.822 161 2HD LYS 21 2HD LYS 21 2.273 15.674 4.142 162 1HE LYS 21 1HE LYS 21 0.607 17.387 4.332 163 2HE LYS 21 2HE LYS 21 0.150 16.839 5.941 164 1HZ LYS 21 1HZ LYS 21 2.298 17.523 6.753 165 2HZ LYS 21 2HZ LYS 21 1.515 18.803 5.993 166 3HZ LYS 21 3HZ LYS 21 2.786 18.005 5.206 167 H ARG 22 H ARG 22 -1.149 11.391 1.895 168 HA ARG 22 HA ARG 22 0.153 8.864 2.063 169 1HB ARG 22 1HB ARG 22 -1.547 8.077 0.526 170 2HB ARG 22 2HB ARG 22 -2.294 9.025 1.772 171 1HG ARG 22 1HG ARG 22 -1.714 10.030 -1.012 172 2HG ARG 22 2HG ARG 22 -3.262 9.395 -0.504 173 1HD ARG 22 1HD ARG 22 -3.526 11.730 -0.401 174 2HD ARG 22 2HD ARG 22 -3.187 11.289 1.283 175 HE ARG 22 HE ARG 22 -0.845 12.010 -0.176 176 1HH1 ARG 22 1HH1 ARG 22 -3.514 13.419 1.753 177 2HH1 ARG 22 2HH1 ARG 22 -2.736 14.892 1.959 178 1HH2 ARG 22 1HH2 ARG 22 0.201 14.082 0.196 179 2HH2 ARG 22 2HH2 ARG 22 -0.608 15.301 1.047 180 H ALA 23 H ALA 23 1.936 8.535 0.878 181 HA ALA 23 HA ALA 23 2.182 10.029 -1.568 182 1HB ALA 23 1HB ALA 23 4.340 9.220 0.383 183 2HB ALA 23 2HB ALA 23 3.802 10.864 0.028 184 3HB ALA 23 3HB ALA 23 4.655 9.923 -1.198 185 H GLY 24 H GLY 24 1.158 8.260 -2.578 186 1HA GLY 24 1HA GLY 24 2.544 5.690 -2.363 187 2HA GLY 24 2HA GLY 24 0.938 5.919 -3.058 188 H PHE 25 H PHE 25 4.384 6.213 -3.573 189 HA PHE 25 HA PHE 25 4.028 7.240 -6.191 190 1HB PHE 25 1HB PHE 25 6.492 5.911 -5.062 191 2HB PHE 25 2HB PHE 25 6.413 6.988 -6.445 192 HD1 PHE 25 HD1 PHE 25 6.351 6.720 -2.846 193 HD2 PHE 25 HD2 PHE 25 6.255 9.378 -6.136 194 HE1 PHE 25 HE1 PHE 25 6.879 8.582 -1.323 195 HE2 PHE 25 HE2 PHE 25 6.782 11.266 -4.621 196 HZ PHE 25 HZ PHE 25 7.088 10.846 -2.204 197 H ARG 26 H ARG 26 5.392 4.200 -5.022 198 HA ARG 26 HA ARG 26 5.008 3.059 -7.638 199 1HB ARG 26 1HB ARG 26 6.151 1.908 -5.144 200 2HB ARG 26 2HB ARG 26 6.039 1.058 -6.670 201 1HG ARG 26 1HG ARG 26 7.582 3.599 -6.218 202 2HG ARG 26 2HG ARG 26 8.256 1.966 -6.191 203 1HD ARG 26 1HD ARG 26 8.702 2.711 -8.360 204 2HD ARG 26 2HD ARG 26 7.253 1.727 -8.508 205 HE ARG 26 HE ARG 26 6.755 4.534 -8.128 206 1HH1 ARG 26 1HH1 ARG 26 7.289 2.008 -10.535 207 2HH1 ARG 26 2HH1 ARG 26 6.538 2.836 -11.806 208 1HH2 ARG 26 1HH2 ARG 26 5.675 5.688 -9.859 209 2HH2 ARG 26 2HH2 ARG 26 5.599 4.978 -11.403 210 H GLU 27 H GLU 27 3.596 2.572 -4.368 211 HA GLU 27 HA GLU 27 2.269 0.239 -5.160 212 1HB GLU 27 1HB GLU 27 2.665 0.897 -2.782 213 2HB GLU 27 2HB GLU 27 1.366 2.078 -2.957 214 1HG GLU 27 1HG GLU 27 -0.152 0.259 -3.567 215 2HG GLU 27 2HG GLU 27 1.163 -0.878 -3.273 216 H CYS 28 H CYS 28 1.850 3.403 -5.879 217 HA CYS 28 HA CYS 28 -0.912 3.826 -6.140 218 1HB CYS 28 1HB CYS 28 0.751 5.608 -6.548 219 2HB CYS 28 2HB CYS 28 1.233 4.800 -8.033 220 HG CYS 28 HG CYS 28 -1.847 5.064 -8.542 221 H ALA 29 H ALA 29 1.382 2.236 -8.323 222 HA ALA 29 HA ALA 29 -0.551 1.806 -10.347 223 1HB ALA 29 1HB ALA 29 2.080 0.410 -9.919 224 2HB ALA 29 2HB ALA 29 1.841 1.889 -10.850 225 3HB ALA 29 3HB ALA 29 1.116 0.374 -11.394 226 H ALA 30 H ALA 30 0.489 0.066 -7.540 227 HA ALA 30 HA ALA 30 -0.670 -2.440 -8.193 228 1HB ALA 30 1HB ALA 30 -0.057 -1.443 -5.468 229 2HB ALA 30 2HB ALA 30 1.156 -1.845 -6.654 230 3HB ALA 30 3HB ALA 30 0.023 -3.109 -6.107 231 H MET 31 H MET 31 -1.666 0.303 -6.230 232 HA MET 31 HA MET 31 -3.828 -0.989 -5.064 233 1HB MET 31 1HB MET 31 -4.647 1.240 -4.380 234 2HB MET 31 2HB MET 31 -2.936 1.001 -4.059 235 1HG MET 31 1HG MET 31 -2.426 2.264 -6.116 236 2HG MET 31 2HG MET 31 -4.145 2.574 -6.309 237 1HE MET 31 1HE MET 31 -0.996 3.152 -4.017 238 2HE MET 31 2HE MET 31 -2.164 2.486 -2.876 239 3HE MET 31 3HE MET 31 -1.681 4.178 -2.761 240 H ILE 32 H ILE 32 -3.533 0.671 -8.046 241 HA ILE 32 HA ILE 32 -6.235 0.904 -8.785 242 HB ILE 32 HB ILE 32 -3.680 0.625 -10.380 243 1HG1 ILE 32 1HG1 ILE 32 -5.288 3.092 -9.695 244 2HG1 ILE 32 2HG1 ILE 32 -3.801 2.584 -8.902 245 1HG2 ILE 32 1HG2 ILE 32 -5.592 0.047 -11.816 246 2HG2 ILE 32 2HG2 ILE 32 -4.926 1.609 -12.298 247 3HG2 ILE 32 3HG2 ILE 32 -6.412 1.538 -11.351 248 1HD1 ILE 32 1HD1 ILE 32 -4.084 3.370 -11.793 249 2HD1 ILE 32 2HD1 ILE 32 -2.590 2.870 -11.005 250 3HD1 ILE 32 3HD1 ILE 32 -3.390 4.362 -10.511 251 H GLU 33 H GLU 33 -3.981 -1.718 -8.768 252 HA GLU 33 HA GLU 33 -5.614 -3.443 -10.449 253 1HB GLU 33 1HB GLU 33 -3.038 -4.086 -9.020 254 2HB GLU 33 2HB GLU 33 -3.787 -4.987 -10.329 255 1HG GLU 33 1HG GLU 33 -2.577 -2.248 -10.516 256 2HG GLU 33 2HG GLU 33 -1.871 -3.748 -11.109 257 H LYS 34 H LYS 34 -4.568 -3.047 -7.123 258 HA LYS 34 HA LYS 34 -5.343 -5.469 -5.949 259 1HB LYS 34 1HB LYS 34 -4.971 -2.696 -4.898 260 2HB LYS 34 2HB LYS 34 -5.598 -3.954 -3.855 261 1HG LYS 34 1HG LYS 34 -3.690 -5.108 -3.823 262 2HG LYS 34 2HG LYS 34 -2.998 -4.441 -5.305 263 1HD LYS 34 1HD LYS 34 -2.862 -2.244 -4.034 264 2HD LYS 34 2HD LYS 34 -3.365 -3.152 -2.595 265 1HE LYS 34 1HE LYS 34 -1.312 -4.551 -2.931 266 2HE LYS 34 2HE LYS 34 -0.868 -3.448 -4.227 267 1HZ LYS 34 1HZ LYS 34 0.126 -2.825 -1.997 268 2HZ LYS 34 2HZ LYS 34 -1.433 -2.440 -1.484 269 3HZ LYS 34 3HZ LYS 34 -0.774 -1.652 -2.738 270 H LYS 35 H LYS 35 -7.138 -2.751 -6.968 271 HA LYS 35 HA LYS 35 -9.329 -2.956 -5.357 272 1HB LYS 35 1HB LYS 35 -9.034 -0.982 -6.664 273 2HB LYS 35 2HB LYS 35 -9.026 -1.901 -8.164 274 1HG LYS 35 1HG LYS 35 -11.373 -2.476 -7.830 275 2HG LYS 35 2HG LYS 35 -11.372 -1.573 -6.323 276 1HD LYS 35 1HD LYS 35 -11.057 0.485 -7.469 277 2HD LYS 35 2HD LYS 35 -10.761 -0.349 -9.000 278 1HE LYS 35 1HE LYS 35 -13.064 0.594 -8.805 279 2HE LYS 35 2HE LYS 35 -13.024 -1.138 -9.090 280 1HZ LYS 35 1HZ LYS 35 -14.639 -0.577 -7.393 281 2HZ LYS 35 2HZ LYS 35 -13.491 0.176 -6.450 282 3HZ LYS 35 3HZ LYS 35 -13.416 -1.491 -6.714 283 H ALA 36 H ALA 36 -8.266 -4.880 -8.052 284 HA ALA 36 HA ALA 36 -10.751 -5.786 -8.862 285 1HB ALA 36 1HB ALA 36 -8.828 -5.922 -10.339 286 2HB ALA 36 2HB ALA 36 -9.529 -7.523 -10.109 287 3HB ALA 36 3HB ALA 36 -8.053 -7.074 -9.253 288 H ARG 37 H ARG 37 -8.172 -7.423 -7.102 289 HA ARG 37 HA ARG 37 -10.031 -8.623 -5.278 290 1HB ARG 37 1HB ARG 37 -8.533 -10.295 -7.264 291 2HB ARG 37 2HB ARG 37 -9.003 -10.980 -5.711 292 1HG ARG 37 1HG ARG 37 -10.817 -9.918 -7.882 293 2HG ARG 37 2HG ARG 37 -10.533 -11.616 -7.493 294 1HD ARG 37 1HD ARG 37 -11.489 -11.239 -5.251 295 2HD ARG 37 2HD ARG 37 -11.780 -9.555 -5.682 296 HE ARG 37 HE ARG 37 -12.969 -11.523 -7.410 297 1HH1 ARG 37 1HH1 ARG 37 -13.406 -9.318 -4.689 298 2HH1 ARG 37 2HH1 ARG 37 -15.103 -9.351 -4.712 299 1HH2 ARG 37 1HH2 ARG 37 -15.331 -11.620 -7.437 300 2HH2 ARG 37 2HH2 ARG 37 -16.224 -10.719 -6.300 301 H ARG 38 H ARG 38 -6.692 -9.359 -6.369 302 HA ARG 38 HA ARG 38 -5.601 -8.173 -4.044 303 1HB ARG 38 1HB ARG 38 -4.611 -10.172 -3.075 304 2HB ARG 38 2HB ARG 38 -6.352 -10.390 -3.147 305 1HG ARG 38 1HG ARG 38 -6.163 -11.879 -4.986 306 2HG ARG 38 2HG ARG 38 -4.434 -11.549 -5.141 307 1HD ARG 38 1HD ARG 38 -4.126 -12.387 -2.867 308 2HD ARG 38 2HD ARG 38 -5.830 -12.857 -2.831 309 HE ARG 38 HE ARG 38 -4.213 -13.874 -5.005 310 1HH1 ARG 38 1HH1 ARG 38 -5.853 -14.609 -1.957 311 2HH1 ARG 38 2HH1 ARG 38 -5.416 -16.262 -1.974 312 1HH2 ARG 38 1HH2 ARG 38 -3.660 -16.078 -5.040 313 2HH2 ARG 38 2HH2 ARG 38 -4.150 -17.141 -3.794 314 H VAL 39 H VAL 39 -3.733 -7.357 -4.712 315 HA VAL 39 HA VAL 39 -2.338 -8.836 -6.777 316 HB VAL 39 HB VAL 39 -2.998 -5.929 -6.987 317 1HG1 VAL 39 1HG1 VAL 39 -0.800 -6.309 -7.996 318 2HG1 VAL 39 2HG1 VAL 39 -1.954 -6.001 -9.296 319 3HG1 VAL 39 3HG1 VAL 39 -1.436 -7.650 -8.944 320 1HG2 VAL 39 1HG2 VAL 39 -4.277 -6.508 -9.053 321 2HG2 VAL 39 2HG2 VAL 39 -4.924 -7.232 -7.581 322 3HG2 VAL 39 3HG2 VAL 39 -3.968 -8.206 -8.695 323 H VAL 40 H VAL 40 -0.215 -8.168 -7.033 324 HA VAL 40 HA VAL 40 0.988 -6.992 -4.655 325 HB VAL 40 HB VAL 40 1.445 -9.348 -4.707 326 1HG1 VAL 40 1HG1 VAL 40 2.436 -8.963 -7.524 327 2HG1 VAL 40 2HG1 VAL 40 0.981 -9.827 -7.027 328 3HG1 VAL 40 3HG1 VAL 40 2.572 -10.456 -6.595 329 1HG2 VAL 40 1HG2 VAL 40 3.911 -9.426 -4.903 330 2HG2 VAL 40 2HG2 VAL 40 3.367 -7.994 -4.018 331 3HG2 VAL 40 3HG2 VAL 40 3.879 -7.854 -5.694 332 H HIS 41 H HIS 41 2.662 -5.577 -4.973 333 HA HIS 41 HA HIS 41 3.187 -4.818 -7.774 334 1HB HIS 41 1HB HIS 41 2.173 -3.177 -5.974 335 2HB HIS 41 2HB HIS 41 3.858 -3.017 -5.535 336 HD1 HIS 41 HD1 HIS 41 5.136 -1.207 -6.819 337 HD2 HIS 41 HD2 HIS 41 1.885 -2.670 -8.967 338 HE1 HIS 41 HE1 HIS 41 5.090 0.024 -9.016 339 H ILE 42 H ILE 42 5.090 -5.163 -8.480 340 HA ILE 42 HA ILE 42 7.117 -5.867 -6.566 341 HB ILE 42 HB ILE 42 6.901 -7.281 -8.613 342 1HG1 ILE 42 1HG1 ILE 42 9.521 -5.772 -8.614 343 2HG1 ILE 42 2HG1 ILE 42 9.092 -7.015 -7.446 344 1HG2 ILE 42 1HG2 ILE 42 7.571 -6.444 -10.812 345 2HG2 ILE 42 2HG2 ILE 42 7.719 -4.820 -10.143 346 3HG2 ILE 42 3HG2 ILE 42 6.143 -5.607 -10.198 347 1HD1 ILE 42 1HD1 ILE 42 10.533 -7.902 -9.175 348 2HD1 ILE 42 2HD1 ILE 42 9.388 -7.393 -10.418 349 3HD1 ILE 42 3HD1 ILE 42 8.938 -8.647 -9.262 350 H LYS 43 H LYS 43 8.746 -4.615 -6.088 351 HA LYS 43 HA LYS 43 9.963 -2.724 -5.715 352 1HB LYS 43 1HB LYS 43 8.996 -1.815 -8.450 353 2HB LYS 43 2HB LYS 43 10.086 -0.891 -7.446 354 1HG LYS 43 1HG LYS 43 11.745 -2.731 -7.695 355 2HG LYS 43 2HG LYS 43 10.633 -3.506 -8.842 356 1HD LYS 43 1HD LYS 43 10.677 -1.528 -10.267 357 2HD LYS 43 2HD LYS 43 11.698 -0.691 -9.106 358 1HE LYS 43 1HE LYS 43 13.035 -1.445 -10.960 359 2HE LYS 43 2HE LYS 43 13.469 -2.351 -9.516 360 1HZ LYS 43 1HZ LYS 43 13.304 -3.763 -11.456 361 2HZ LYS 43 2HZ LYS 43 11.685 -3.361 -11.683 362 3HZ LYS 43 3HZ LYS 43 12.182 -4.195 -10.305 363 HA PRO 44 HA PRO 44 5.879 -0.507 -4.738 364 1HB PRO 44 1HB PRO 44 5.892 -0.879 -2.045 365 2HB PRO 44 2HB PRO 44 5.143 -2.033 -3.162 366 1HG PRO 44 1HG PRO 44 7.898 -2.088 -1.973 367 2HG PRO 44 2HG PRO 44 6.709 -3.401 -1.999 368 1HD PRO 44 1HD PRO 44 8.630 -3.354 -3.803 369 2HD PRO 44 2HD PRO 44 6.971 -3.746 -4.295 370 H GLY 45 H GLY 45 5.736 1.390 -3.191 371 1HA GLY 45 1HA GLY 45 7.970 2.475 -1.943 372 2HA GLY 45 2HA GLY 45 7.955 3.036 -3.624 373 H GLU 46 H GLU 46 5.535 2.309 -1.277 374 HA GLU 46 HA GLU 46 4.466 4.994 -1.701 375 1HB GLU 46 1HB GLU 46 2.331 4.051 -1.346 376 2HB GLU 46 2HB GLU 46 3.201 2.938 -2.338 377 1HG GLU 46 1HG GLU 46 2.822 2.573 0.628 378 2HG GLU 46 2HG GLU 46 1.886 1.775 -0.627 379 H LYS 47 H LYS 47 4.001 6.144 -0.010 380 HA LYS 47 HA LYS 47 4.249 5.020 2.581 381 1HB LYS 47 1HB LYS 47 5.926 7.241 1.569 382 2HB LYS 47 2HB LYS 47 5.308 7.372 3.220 383 1HG LYS 47 1HG LYS 47 6.673 4.926 2.189 384 2HG LYS 47 2HG LYS 47 7.564 6.232 2.967 385 1HD LYS 47 1HD LYS 47 6.746 5.718 5.043 386 2HD LYS 47 2HD LYS 47 5.178 5.224 4.454 387 1HE LYS 47 1HE LYS 47 7.771 3.644 4.267 388 2HE LYS 47 2HE LYS 47 6.508 3.392 5.461 389 1HZ LYS 47 1HZ LYS 47 6.039 3.086 2.524 390 2HZ LYS 47 2HZ LYS 47 4.994 2.713 3.756 391 3HZ LYS 47 3HZ LYS 47 6.376 1.808 3.560 392 H ILE 48 H ILE 48 2.291 4.850 2.448 393 HA ILE 48 HA ILE 48 0.612 7.109 2.047 394 HB ILE 48 HB ILE 48 0.095 4.180 2.535 395 1HG1 ILE 48 1HG1 ILE 48 -0.191 5.840 0.032 396 2HG1 ILE 48 2HG1 ILE 48 1.108 4.704 0.371 397 1HG2 ILE 48 1HG2 ILE 48 -2.232 4.686 1.810 398 2HG2 ILE 48 2HG2 ILE 48 -1.873 6.402 2.053 399 3HG2 ILE 48 3HG2 ILE 48 -1.788 5.262 3.402 400 1HD1 ILE 48 1HD1 ILE 48 -0.532 2.884 0.432 401 2HD1 ILE 48 2HD1 ILE 48 -0.500 3.722 -1.115 402 3HD1 ILE 48 3HD1 ILE 48 -1.807 4.040 0.034 403 H LEU 49 H LEU 49 0.631 8.401 3.894 404 HA LEU 49 HA LEU 49 -0.085 9.067 5.993 405 1HB LEU 49 1HB LEU 49 -0.595 6.245 6.784 406 2HB LEU 49 2HB LEU 49 -1.387 7.702 7.333 407 HG LEU 49 HG LEU 49 -1.671 6.797 4.541 408 1HD1 LEU 49 1HD1 LEU 49 -2.132 4.888 5.905 409 2HD1 LEU 49 2HD1 LEU 49 -3.620 5.509 5.195 410 3HD1 LEU 49 3HD1 LEU 49 -3.234 5.840 6.891 411 1HD2 LEU 49 1HD2 LEU 49 -3.421 8.410 6.328 412 2HD2 LEU 49 2HD2 LEU 49 -3.893 7.797 4.770 413 3HD2 LEU 49 3HD2 LEU 49 -2.541 8.909 4.890 414 H GLY 50 H GLY 50 2.354 6.995 5.290 415 1HA GLY 50 1HA GLY 50 4.464 7.032 6.458 416 2HA GLY 50 2HA GLY 50 3.571 7.170 7.982 417 H ALA 51 H ALA 51 1.583 5.308 7.384 418 HA ALA 51 HA ALA 51 2.839 2.738 6.961 419 1HB ALA 51 1HB ALA 51 1.096 3.486 9.340 420 2HB ALA 51 2HB ALA 51 2.800 3.038 9.418 421 3HB ALA 51 3HB ALA 51 1.595 1.846 8.927 422 H ARG 52 H ARG 52 1.431 1.492 5.748 423 HA ARG 52 HA ARG 52 -0.704 2.919 4.554 424 1HB ARG 52 1HB ARG 52 0.846 1.502 3.238 425 2HB ARG 52 2HB ARG 52 0.323 0.098 4.136 426 1HG ARG 52 1HG ARG 52 -1.581 1.672 2.419 427 2HG ARG 52 2HG ARG 52 -0.542 0.418 1.750 428 1HD ARG 52 1HD ARG 52 -2.634 0.096 3.897 429 2HD ARG 52 2HD ARG 52 -2.713 -0.517 2.243 430 HE ARG 52 HE ARG 52 -0.429 -1.591 3.277 431 1HH1 ARG 52 1HH1 ARG 52 -3.825 -1.675 4.251 432 2HH1 ARG 52 2HH1 ARG 52 -3.704 -3.203 4.997 433 1HH2 ARG 52 1HH2 ARG 52 -0.278 -3.708 4.359 434 2HH2 ARG 52 2HH2 ARG 52 -1.684 -4.362 5.048 435 H ILE 53 H ILE 53 -2.420 3.184 5.646 436 HA ILE 53 HA ILE 53 -3.478 0.951 7.109 437 HB ILE 53 HB ILE 53 -3.772 3.902 7.645 438 1HG1 ILE 53 1HG1 ILE 53 -1.583 3.115 8.366 439 2HG1 ILE 53 2HG1 ILE 53 -2.566 3.494 9.771 440 1HG2 ILE 53 1HG2 ILE 53 -4.994 3.273 9.723 441 2HG2 ILE 53 2HG2 ILE 53 -4.943 1.595 9.189 442 3HG2 ILE 53 3HG2 ILE 53 -5.833 2.791 8.247 443 1HD1 ILE 53 1HD1 ILE 53 -1.982 0.742 8.694 444 2HD1 ILE 53 2HD1 ILE 53 -3.004 1.099 10.086 445 3HD1 ILE 53 3HD1 ILE 53 -1.283 1.479 10.138 446 H ILE 54 H ILE 54 -5.658 0.574 6.551 447 HA ILE 54 HA ILE 54 -6.701 1.860 4.137 448 HB ILE 54 HB ILE 54 -7.753 -0.457 5.813 449 1HG1 ILE 54 1HG1 ILE 54 -6.152 -0.521 3.249 450 2HG1 ILE 54 2HG1 ILE 54 -5.508 -0.869 4.845 451 1HG2 ILE 54 1HG2 ILE 54 -8.451 0.255 2.964 452 2HG2 ILE 54 2HG2 ILE 54 -9.415 0.722 4.355 453 3HG2 ILE 54 3HG2 ILE 54 -9.188 -0.990 3.978 454 1HD1 ILE 54 1HD1 ILE 54 -5.976 -2.900 3.577 455 2HD1 ILE 54 2HD1 ILE 54 -7.674 -2.420 3.455 456 3HD1 ILE 54 3HD1 ILE 54 -6.974 -2.796 5.029 457 H GLY 55 H GLY 55 -7.539 1.386 7.508 458 1HA GLY 55 1HA GLY 55 -8.693 2.884 8.892 459 2HA GLY 55 2HA GLY 55 -9.140 3.820 7.469 460 H ILE 56 H ILE 56 -9.839 1.171 6.263 461 HA ILE 56 HA ILE 56 -12.553 1.003 7.293 462 HB ILE 56 HB ILE 56 -11.340 0.039 4.671 463 1HG1 ILE 56 1HG1 ILE 56 -11.571 2.467 4.729 464 2HG1 ILE 56 2HG1 ILE 56 -12.722 1.772 3.600 465 1HG2 ILE 56 1HG2 ILE 56 -13.628 -0.503 3.967 466 2HG2 ILE 56 2HG2 ILE 56 -14.224 -0.074 5.568 467 3HG2 ILE 56 3HG2 ILE 56 -13.141 -1.452 5.372 468 1HD1 ILE 56 1HD1 ILE 56 -14.494 2.048 5.277 469 2HD1 ILE 56 2HD1 ILE 56 -13.725 3.574 4.849 470 3HD1 ILE 56 3HD1 ILE 56 -13.325 2.786 6.374 471 HA PRO 57 HA PRO 57 -10.823 -2.552 9.480 472 1HB PRO 57 1HB PRO 57 -13.742 -3.021 9.892 473 2HB PRO 57 2HB PRO 57 -12.426 -3.037 11.074 474 1HG PRO 57 1HG PRO 57 -14.059 -0.958 10.954 475 2HG PRO 57 2HG PRO 57 -12.317 -0.715 11.175 476 1HD PRO 57 1HD PRO 57 -13.977 -0.365 8.718 477 2HD PRO 57 2HD PRO 57 -12.625 0.615 9.326 478 HA PRO 58 HA PRO 58 -11.922 -5.450 6.176 479 1HB PRO 58 1HB PRO 58 -9.426 -6.352 5.792 480 2HB PRO 58 2HB PRO 58 -9.971 -4.810 5.144 481 1HG PRO 58 1HG PRO 58 -8.051 -5.329 7.301 482 2HG PRO 58 2HG PRO 58 -8.345 -3.834 6.402 483 1HD PRO 58 1HD PRO 58 -9.325 -4.618 9.023 484 2HD PRO 58 2HD PRO 58 -9.415 -3.041 8.204 485 H VAL 59 H VAL 59 -11.285 -7.807 5.910 486 HA VAL 59 HA VAL 59 -11.764 -9.266 8.292 487 HB VAL 59 HB VAL 59 -10.629 -10.264 5.646 488 1HG1 VAL 59 1HG1 VAL 59 -11.465 -12.481 6.323 489 2HG1 VAL 59 2HG1 VAL 59 -11.963 -11.812 7.877 490 3HG1 VAL 59 3HG1 VAL 59 -10.253 -11.871 7.451 491 1HG2 VAL 59 1HG2 VAL 59 -12.930 -10.919 5.098 492 2HG2 VAL 59 2HG2 VAL 59 -12.798 -9.177 5.357 493 3HG2 VAL 59 3HG2 VAL 59 -13.489 -10.204 6.609 494 HA PRO 60 HA PRO 60 -7.544 -8.606 9.398 495 1HB PRO 60 1HB PRO 60 -7.666 -9.265 11.999 496 2HB PRO 60 2HB PRO 60 -8.360 -7.778 11.344 497 1HG PRO 60 1HG PRO 60 -9.713 -10.263 12.215 498 2HG PRO 60 2HG PRO 60 -10.305 -8.596 12.233 499 1HD PRO 60 1HD PRO 60 -10.911 -10.590 10.323 500 2HD PRO 60 2HD PRO 60 -11.281 -8.858 10.219 501 H ILE 61 H ILE 61 -6.979 -10.548 7.903 502 HA ILE 61 HA ILE 61 -5.620 -12.469 9.602 503 HB ILE 61 HB ILE 61 -7.103 -13.051 6.994 504 1HG1 ILE 61 1HG1 ILE 61 -7.668 -14.134 9.768 505 2HG1 ILE 61 2HG1 ILE 61 -8.628 -12.918 8.939 506 1HG2 ILE 61 1HG2 ILE 61 -5.013 -14.314 7.135 507 2HG2 ILE 61 2HG2 ILE 61 -6.397 -15.395 7.294 508 3HG2 ILE 61 3HG2 ILE 61 -5.475 -14.928 8.722 509 1HD1 ILE 61 1HD1 ILE 61 -8.244 -15.776 8.064 510 2HD1 ILE 61 2HD1 ILE 61 -9.204 -14.562 7.218 511 3HD1 ILE 61 3HD1 ILE 61 -9.681 -15.098 8.830 512 H GLY 62 H GLY 62 -3.461 -12.715 8.748 513 1HA GLY 62 1HA GLY 62 -2.466 -12.621 6.434 514 2HA GLY 62 2HA GLY 62 -3.012 -10.939 6.546 515 H ILE 63 H ILE 63 -0.337 -11.803 6.112 516 HA ILE 63 HA ILE 63 0.997 -10.532 8.354 517 HB ILE 63 HB ILE 63 2.756 -12.292 8.181 518 1HG1 ILE 63 1HG1 ILE 63 0.505 -13.962 7.055 519 2HG1 ILE 63 2HG1 ILE 63 1.957 -13.460 6.203 520 1HG2 ILE 63 1HG2 ILE 63 1.455 -12.070 10.219 521 2HG2 ILE 63 2HG2 ILE 63 1.692 -13.787 9.891 522 3HG2 ILE 63 3HG2 ILE 63 0.145 -13.024 9.526 523 1HD1 ILE 63 1HD1 ILE 63 1.832 -15.333 8.560 524 2HD1 ILE 63 2HD1 ILE 63 3.303 -14.825 7.726 525 3HD1 ILE 63 3HD1 ILE 63 2.092 -15.781 6.874 526 H ASP 64 H ASP 64 3.181 -9.968 7.807 527 HA ASP 64 HA ASP 64 3.703 -9.716 4.917 528 1HB ASP 64 1HB ASP 64 5.085 -8.307 7.256 529 2HB ASP 64 2HB ASP 64 5.443 -8.056 5.564 530 H GLU 65 H GLU 65 5.495 -10.799 4.088 531 HA GLU 65 HA GLU 65 6.738 -12.676 5.915 532 1HB GLU 65 1HB GLU 65 7.115 -12.298 2.942 533 2HB GLU 65 2HB GLU 65 7.837 -13.589 3.893 534 1HG GLU 65 1HG GLU 65 5.553 -14.348 4.486 535 2HG GLU 65 2HG GLU 65 4.913 -13.123 3.396 536 H GLU 66 H GLU 66 7.938 -10.406 3.517 537 HA GLU 66 HA GLU 66 9.841 -9.294 5.322 538 1HB GLU 66 1HB GLU 66 10.999 -11.366 4.360 539 2HB GLU 66 2HB GLU 66 10.781 -10.652 2.767 540 1HG GLU 66 1HG GLU 66 12.201 -8.779 3.421 541 2HG GLU 66 2HG GLU 66 12.429 -9.505 5.010 542 H ARG 67 H ARG 67 10.844 -7.478 4.043 543 HA ARG 67 HA ARG 67 8.725 -6.270 2.547 544 1HB ARG 67 1HB ARG 67 10.035 -4.947 4.119 545 2HB ARG 67 2HB ARG 67 11.478 -5.236 3.155 546 1HG ARG 67 1HG ARG 67 10.249 -2.964 2.935 547 2HG ARG 67 2HG ARG 67 10.827 -3.778 1.485 548 1HD ARG 67 1HD ARG 67 8.547 -2.868 1.269 549 2HD ARG 67 2HD ARG 67 8.713 -4.604 0.993 550 HE ARG 67 HE ARG 67 7.668 -3.565 3.566 551 1HH1 ARG 67 1HH1 ARG 67 7.413 -5.827 0.824 552 2HH1 ARG 67 2HH1 ARG 67 5.972 -6.538 1.332 553 1HH2 ARG 67 1HH2 ARG 67 5.691 -4.552 4.305 554 2HH2 ARG 67 2HH2 ARG 67 4.916 -5.772 3.454 555 H SER 68 H SER 68 11.764 -7.668 1.851 556 HA SER 68 HA SER 68 11.546 -7.080 -0.915 557 1HB SER 68 1HB SER 68 13.738 -8.682 -0.557 558 2HB SER 68 2HB SER 68 13.752 -6.914 -0.423 559 HG SER 68 HG SER 68 13.780 -8.861 1.573 560 H THR 69 H THR 69 9.553 -8.578 0.240 561 HA THR 69 HA THR 69 9.537 -10.868 -1.391 562 HB THR 69 HB THR 69 9.171 -10.892 1.561 563 HG1 THR 69 HG1 THR 69 11.388 -11.254 0.131 564 1HG2 THR 69 1HG2 THR 69 9.005 -13.241 -0.357 565 2HG2 THR 69 2HG2 THR 69 7.666 -12.531 0.548 566 3HG2 THR 69 3HG2 THR 69 8.940 -13.396 1.400 567 H VAL 70 H VAL 70 7.048 -11.657 -0.942 568 HA VAL 70 HA VAL 70 5.350 -9.343 -1.054 569 HB VAL 70 HB VAL 70 3.582 -10.997 -1.386 570 1HG1 VAL 70 1HG1 VAL 70 6.006 -11.479 -3.096 571 2HG1 VAL 70 2HG1 VAL 70 4.745 -10.262 -3.333 572 3HG1 VAL 70 3HG1 VAL 70 4.360 -11.974 -3.495 573 1HG2 VAL 70 1HG2 VAL 70 4.117 -13.398 -1.590 574 2HG2 VAL 70 2HG2 VAL 70 4.380 -12.781 0.042 575 3HG2 VAL 70 3HG2 VAL 70 5.753 -13.062 -1.017 576 H MET 71 H MET 71 3.516 -9.320 0.121 577 HA MET 71 HA MET 71 3.791 -10.404 2.772 578 1HB MET 71 1HB MET 71 2.606 -8.419 3.700 579 2HB MET 71 2HB MET 71 4.025 -7.901 2.811 580 1HG MET 71 1HG MET 71 2.547 -7.332 0.898 581 2HG MET 71 2HG MET 71 1.156 -7.764 1.884 582 1HE MET 71 1HE MET 71 -0.033 -5.440 1.611 583 2HE MET 71 2HE MET 71 1.235 -5.024 0.469 584 3HE MET 71 3HE MET 71 0.798 -3.892 1.747 585 H ILE 72 H ILE 72 2.037 -11.798 3.206 586 HA ILE 72 HA ILE 72 -0.097 -11.649 1.200 587 HB ILE 72 HB ILE 72 0.957 -14.155 2.544 588 1HG1 ILE 72 1HG1 ILE 72 2.430 -13.328 0.751 589 2HG1 ILE 72 2HG1 ILE 72 1.673 -14.853 0.309 590 1HG2 ILE 72 1HG2 ILE 72 -1.281 -13.863 0.532 591 2HG2 ILE 72 2HG2 ILE 72 -1.451 -14.328 2.225 592 3HG2 ILE 72 3HG2 ILE 72 -0.613 -15.394 1.099 593 1HD1 ILE 72 1HD1 ILE 72 0.063 -13.621 -1.087 594 2HD1 ILE 72 2HD1 ILE 72 1.730 -13.346 -1.584 595 3HD1 ILE 72 3HD1 ILE 72 0.872 -12.111 -0.667 596 HA PRO 73 HA PRO 73 -2.308 -11.515 4.922 597 1HB PRO 73 1HB PRO 73 -3.529 -9.158 4.762 598 2HB PRO 73 2HB PRO 73 -1.866 -9.350 5.304 599 1HG PRO 73 1HG PRO 73 -2.817 -8.190 2.757 600 2HG PRO 73 2HG PRO 73 -1.210 -8.075 3.492 601 1HD PRO 73 1HD PRO 73 -2.162 -9.939 1.429 602 2HD PRO 73 2HD PRO 73 -0.495 -9.624 1.966 603 H TYR 74 H TYR 74 -4.758 -11.232 5.265 604 HA TYR 74 HA TYR 74 -6.237 -11.574 2.846 605 1HB TYR 74 1HB TYR 74 -6.290 -13.390 5.231 606 2HB TYR 74 2HB TYR 74 -7.705 -13.259 4.178 607 HD1 TYR 74 HD1 TYR 74 -7.506 -13.913 1.794 608 HD2 TYR 74 HD2 TYR 74 -4.349 -14.625 4.559 609 HE1 TYR 74 HE1 TYR 74 -6.497 -15.500 0.217 610 HE2 TYR 74 HE2 TYR 74 -3.331 -16.223 2.984 611 HH TYR 74 HH TYR 74 -3.964 -17.587 1.138 612 H THR 75 H THR 75 -5.733 -9.328 4.225 613 HA THR 75 HA THR 75 -8.074 -8.684 5.684 614 HB THR 75 HB THR 75 -7.164 -6.423 5.596 615 HG1 THR 75 HG1 THR 75 -5.947 -6.933 3.592 616 1HG2 THR 75 1HG2 THR 75 -5.197 -6.897 7.082 617 2HG2 THR 75 2HG2 THR 75 -5.289 -8.583 6.584 618 3HG2 THR 75 3HG2 THR 75 -6.621 -7.856 7.476 619 H LYS 76 H LYS 76 -9.766 -8.650 4.603 620 HA LYS 76 HA LYS 76 -9.831 -7.600 1.876 621 1HB LYS 76 1HB LYS 76 -11.879 -9.299 3.305 622 2HB LYS 76 2HB LYS 76 -11.910 -8.855 1.603 623 1HG LYS 76 1HG LYS 76 -9.860 -10.100 1.223 624 2HG LYS 76 2HG LYS 76 -9.789 -10.534 2.928 625 1HD LYS 76 1HD LYS 76 -10.681 -12.399 1.732 626 2HD LYS 76 2HD LYS 76 -11.994 -11.664 2.651 627 1HE LYS 76 1HE LYS 76 -12.741 -12.263 0.417 628 2HE LYS 76 2HE LYS 76 -12.757 -10.513 0.615 629 1HZ LYS 76 1HZ LYS 76 -11.825 -11.205 -1.512 630 2HZ LYS 76 2HZ LYS 76 -10.615 -12.068 -0.739 631 3HZ LYS 76 3HZ LYS 76 -10.657 -10.398 -0.613 632 HA PRO 77 HA PRO 77 -12.052 -4.251 3.942 633 1HB PRO 77 1HB PRO 77 -10.799 -2.294 2.678 634 2HB PRO 77 2HB PRO 77 -9.936 -3.266 3.878 635 1HG PRO 77 1HG PRO 77 -9.722 -3.297 0.918 636 2HG PRO 77 2HG PRO 77 -8.496 -3.673 2.139 637 1HD PRO 77 1HD PRO 77 -10.126 -5.502 0.683 638 2HD PRO 77 2HD PRO 77 -8.951 -5.841 1.971 639 H CYS 78 H CYS 78 -12.535 -2.012 2.455 640 HA CYS 78 HA CYS 78 -14.595 -2.880 0.576 641 1HB CYS 78 1HB CYS 78 -15.063 -1.331 2.524 642 2HB CYS 78 2HB CYS 78 -14.012 -0.150 1.764 643 HG CYS 78 HG CYS 78 -17.039 -0.083 1.598 644 H TYR 79 H TYR 79 -11.778 -2.942 -0.018 645 HA TYR 79 HA TYR 79 -11.696 -1.153 -2.332 646 1HB TYR 79 1HB TYR 79 -10.437 -0.129 -0.422 647 2HB TYR 79 2HB TYR 79 -9.364 -1.512 -0.426 648 HD1 TYR 79 HD1 TYR 79 -7.639 -1.719 -2.105 649 HD2 TYR 79 HD2 TYR 79 -10.418 1.484 -2.200 650 HE1 TYR 79 HE1 TYR 79 -6.215 -0.570 -3.690 651 HE2 TYR 79 HE2 TYR 79 -9.027 2.672 -3.792 652 HH TYR 79 HH TYR 79 -6.639 2.733 -4.416 653 H GLY 80 H GLY 80 -9.039 -3.114 -1.125 654 1HA GLY 80 1HA GLY 80 -9.697 -5.521 -2.495 655 2HA GLY 80 2HA GLY 80 -8.520 -4.554 -3.387 656 H THR 81 H THR 81 -7.536 -6.903 -2.647 657 HA THR 81 HA THR 81 -6.383 -6.653 0.010 658 HB THR 81 HB THR 81 -6.021 -8.873 -2.009 659 HG1 THR 81 HG1 THR 81 -8.251 -8.265 -0.887 660 1HG2 THR 81 1HG2 THR 81 -5.603 -8.811 0.989 661 2HG2 THR 81 2HG2 THR 81 -4.329 -8.836 -0.229 662 3HG2 THR 81 3HG2 THR 81 -5.394 -10.228 -0.040 663 H ALA 82 H ALA 82 -4.214 -6.278 0.314 664 HA ALA 82 HA ALA 82 -2.849 -5.258 -1.983 665 1HB ALA 82 1HB ALA 82 -1.770 -3.767 -0.393 666 2HB ALA 82 2HB ALA 82 -2.717 -4.482 0.909 667 3HB ALA 82 3HB ALA 82 -3.525 -3.596 -0.385 668 H VAL 83 H VAL 83 -1.044 -6.275 -2.530 669 HA VAL 83 HA VAL 83 0.644 -7.494 -0.494 670 HB VAL 83 HB VAL 83 0.090 -8.484 -3.315 671 1HG1 VAL 83 1HG1 VAL 83 2.364 -8.988 -2.550 672 2HG1 VAL 83 2HG1 VAL 83 1.412 -10.468 -2.675 673 3HG1 VAL 83 3HG1 VAL 83 1.709 -9.741 -1.097 674 1HG2 VAL 83 1HG2 VAL 83 -0.808 -9.720 -0.714 675 2HG2 VAL 83 2HG2 VAL 83 -0.992 -10.457 -2.305 676 3HG2 VAL 83 3HG2 VAL 83 -1.840 -8.958 -1.924 677 H VAL 84 H VAL 84 2.849 -6.843 -0.821 678 HA VAL 84 HA VAL 84 3.564 -5.474 -3.301 679 HB VAL 84 HB VAL 84 4.767 -3.659 -2.040 680 1HG1 VAL 84 1HG1 VAL 84 2.619 -3.164 -2.938 681 2HG1 VAL 84 2HG1 VAL 84 2.864 -2.324 -1.409 682 3HG1 VAL 84 3HG1 VAL 84 1.840 -3.758 -1.474 683 1HG2 VAL 84 1HG2 VAL 84 4.265 -3.245 0.320 684 2HG2 VAL 84 2HG2 VAL 84 5.085 -4.791 0.104 685 3HG2 VAL 84 3HG2 VAL 84 3.347 -4.750 0.392 686 H GLU 85 H GLU 85 5.764 -5.910 -3.871 687 HA GLU 85 HA GLU 85 7.431 -7.318 -1.922 688 1HB GLU 85 1HB GLU 85 6.329 -9.044 -3.307 689 2HB GLU 85 2HB GLU 85 6.969 -8.273 -4.759 690 1HG GLU 85 1HG GLU 85 9.280 -8.705 -3.869 691 2HG GLU 85 2HG GLU 85 8.524 -9.546 -2.537 692 H LEU 86 H LEU 86 9.303 -6.298 -1.854 693 HA LEU 86 HA LEU 86 10.060 -4.545 -4.088 694 1HB LEU 86 1HB LEU 86 9.882 -3.742 -1.693 695 2HB LEU 86 2HB LEU 86 11.225 -4.798 -1.322 696 HG LEU 86 HG LEU 86 12.453 -3.446 -3.181 697 1HD1 LEU 86 1HD1 LEU 86 10.539 -2.252 -4.002 698 2HD1 LEU 86 2HD1 LEU 86 11.762 -1.152 -3.376 699 3HD1 LEU 86 3HD1 LEU 86 10.316 -1.490 -2.429 700 1HD2 LEU 86 1HD2 LEU 86 11.793 -2.319 -0.471 701 2HD2 LEU 86 2HD2 LEU 86 13.135 -1.803 -1.481 702 3HD2 LEU 86 3HD2 LEU 86 13.093 -3.451 -0.846 703 HA PRO 87 HA PRO 87 13.337 -7.495 -4.821 704 1HB PRO 87 1HB PRO 87 14.468 -6.368 -6.903 705 2HB PRO 87 2HB PRO 87 12.782 -6.946 -7.002 706 1HG PRO 87 1HG PRO 87 13.832 -4.170 -6.688 707 2HG PRO 87 2HG PRO 87 12.483 -4.757 -7.679 708 1HD PRO 87 1HD PRO 87 12.248 -3.604 -5.155 709 2HD PRO 87 2HD PRO 87 11.020 -4.595 -5.963 710 H VAL 88 H VAL 88 13.768 -4.752 -3.044 711 HA VAL 88 HA VAL 88 16.649 -4.788 -3.271 712 HB VAL 88 HB VAL 88 14.852 -2.603 -2.217 713 1HG1 VAL 88 1HG1 VAL 88 17.095 -2.524 -1.308 714 2HG1 VAL 88 2HG1 VAL 88 16.827 -1.140 -2.368 715 3HG1 VAL 88 3HG1 VAL 88 17.776 -2.512 -2.937 716 1HG2 VAL 88 1HG2 VAL 88 14.399 -2.760 -4.589 717 2HG2 VAL 88 2HG2 VAL 88 16.123 -2.688 -4.950 718 3HG2 VAL 88 3HG2 VAL 88 15.308 -1.285 -4.257 719 H ASP 89 H ASP 89 17.521 -4.626 -1.114 720 HA ASP 89 HA ASP 89 16.486 -6.332 0.766 721 1HB ASP 89 1HB ASP 89 18.421 -4.075 0.976 722 2HB ASP 89 2HB ASP 89 17.959 -4.996 2.411 723 HA PRO 90 HA PRO 90 13.328 -4.208 2.986 724 1HB PRO 90 1HB PRO 90 14.371 -5.019 5.597 725 2HB PRO 90 2HB PRO 90 12.893 -5.534 4.792 726 1HG PRO 90 1HG PRO 90 15.060 -7.135 5.141 727 2HG PRO 90 2HG PRO 90 13.897 -7.328 3.814 728 1HD PRO 90 1HD PRO 90 16.634 -6.145 3.793 729 2HD PRO 90 2HD PRO 90 15.788 -7.069 2.528 730 H GLU 91 H GLU 91 16.594 -3.635 3.533 731 HA GLU 91 HA GLU 91 16.437 -1.604 5.445 732 1HB GLU 91 1HB GLU 91 18.699 -0.966 4.761 733 2HB GLU 91 2HB GLU 91 18.559 -2.704 4.978 734 1HG GLU 91 1HG GLU 91 18.386 -2.994 2.585 735 2HG GLU 91 2HG GLU 91 18.513 -1.253 2.347 736 H GLU 92 H GLU 92 15.541 -1.713 2.055 737 HA GLU 92 HA GLU 92 15.888 0.970 1.360 738 1HB GLU 92 1HB GLU 92 15.185 -0.789 -0.227 739 2HB GLU 92 2HB GLU 92 13.659 -0.940 0.625 740 1HG GLU 92 1HG GLU 92 13.284 0.300 -1.388 741 2HG GLU 92 2HG GLU 92 13.118 1.389 -0.021 742 H ILE 93 H ILE 93 13.684 -0.586 3.562 743 HA ILE 93 HA ILE 93 11.608 1.268 3.699 744 HB ILE 93 HB ILE 93 12.783 -0.449 5.843 745 1HG1 ILE 93 1HG1 ILE 93 10.320 -0.841 4.127 746 2HG1 ILE 93 2HG1 ILE 93 11.838 -1.726 4.002 747 1HG2 ILE 93 1HG2 ILE 93 10.142 1.059 5.907 748 2HG2 ILE 93 2HG2 ILE 93 11.544 1.373 6.927 749 3HG2 ILE 93 3HG2 ILE 93 10.638 -0.128 7.115 750 1HD1 ILE 93 1HD1 ILE 93 9.946 -1.805 6.343 751 2HD1 ILE 93 2HD1 ILE 93 11.449 -2.716 6.190 752 3HD1 ILE 93 3HD1 ILE 93 10.102 -3.046 5.101 753 H GLU 94 H GLU 94 14.787 1.288 5.184 754 HA GLU 94 HA GLU 94 14.490 3.396 7.024 755 1HB GLU 94 1HB GLU 94 16.515 2.044 6.899 756 2HB GLU 94 2HB GLU 94 16.867 2.673 5.301 757 1HG GLU 94 1HG GLU 94 17.118 4.927 6.313 758 2HG GLU 94 2HG GLU 94 16.919 4.182 7.899 759 H ARG 95 H ARG 95 15.098 3.449 3.630 760 HA ARG 95 HA ARG 95 15.381 6.357 3.414 761 1HB ARG 95 1HB ARG 95 16.747 4.841 2.041 762 2HB ARG 95 2HB ARG 95 15.311 4.076 1.419 763 1HG ARG 95 1HG ARG 95 15.891 6.970 0.900 764 2HG ARG 95 2HG ARG 95 16.613 5.699 -0.077 765 1HD ARG 95 1HD ARG 95 14.286 4.835 -0.487 766 2HD ARG 95 2HD ARG 95 13.689 6.297 0.291 767 HE ARG 95 HE ARG 95 14.624 7.575 -1.455 768 1HH1 ARG 95 1HH1 ARG 95 14.796 4.057 -2.030 769 2HH1 ARG 95 2HH1 ARG 95 14.789 4.202 -3.715 770 1HH2 ARG 95 1HH2 ARG 95 14.690 7.755 -3.808 771 2HH2 ARG 95 2HH2 ARG 95 14.768 6.337 -4.757 772 H ILE 96 H ILE 96 13.011 3.953 2.773 773 HA ILE 96 HA ILE 96 11.130 5.825 1.705 774 HB ILE 96 HB ILE 96 10.730 3.072 2.859 775 1HG1 ILE 96 1HG1 ILE 96 12.350 2.995 1.052 776 2HG1 ILE 96 2HG1 ILE 96 10.860 2.203 0.551 777 1HG2 ILE 96 1HG2 ILE 96 9.017 4.606 0.883 778 2HG2 ILE 96 2HG2 ILE 96 8.633 4.319 2.575 779 3HG2 ILE 96 3HG2 ILE 96 8.694 2.962 1.446 780 1HD1 ILE 96 1HD1 ILE 96 11.804 3.534 -1.249 781 2HD1 ILE 96 2HD1 ILE 96 11.762 4.975 -0.237 782 3HD1 ILE 96 3HD1 ILE 96 10.255 4.206 -0.738 783 H LEU 97 H LEU 97 12.149 4.913 4.860 784 HA LEU 97 HA LEU 97 9.759 5.659 6.208 785 1HB LEU 97 1HB LEU 97 11.377 3.962 7.061 786 2HB LEU 97 2HB LEU 97 12.544 5.239 7.300 787 HG LEU 97 HG LEU 97 10.996 6.253 8.974 788 1HD1 LEU 97 1HD1 LEU 97 9.219 4.836 9.887 789 2HD1 LEU 97 2HD1 LEU 97 9.500 3.660 8.603 790 3HD1 LEU 97 3HD1 LEU 97 8.908 5.273 8.209 791 1HD2 LEU 97 1HD2 LEU 97 12.888 4.878 9.645 792 2HD2 LEU 97 2HD2 LEU 97 11.901 3.424 9.485 793 3HD2 LEU 97 3HD2 LEU 97 11.511 4.624 10.716 794 H GLU 98 H GLU 98 12.680 7.067 5.221 795 HA GLU 98 HA GLU 98 12.570 9.491 6.748 796 1HB GLU 98 1HB GLU 98 14.614 8.505 5.761 797 2HB GLU 98 2HB GLU 98 13.954 8.764 4.163 798 1HG GLU 98 1HG GLU 98 14.028 11.177 4.542 799 2HG GLU 98 2HG GLU 98 14.739 10.888 6.137 800 H VAL 99 H VAL 99 11.338 8.202 3.888 801 HA VAL 99 HA VAL 99 10.217 10.660 2.820 802 HB VAL 99 HB VAL 99 10.778 7.878 1.778 803 1HG1 VAL 99 1HG1 VAL 99 10.005 8.625 -0.481 804 2HG1 VAL 99 2HG1 VAL 99 9.496 10.167 0.206 805 3HG1 VAL 99 3HG1 VAL 99 8.665 8.681 0.667 806 1HG2 VAL 99 1HG2 VAL 99 12.267 9.051 0.218 807 2HG2 VAL 99 2HG2 VAL 99 12.673 9.316 1.915 808 3HG2 VAL 99 3HG2 VAL 99 11.844 10.574 1.000 809 H ALA 100 H ALA 100 9.357 8.573 5.099 810 HA ALA 100 HA ALA 100 6.951 7.398 4.449 811 1HB ALA 100 1HB ALA 100 6.490 7.120 6.785 812 2HB ALA 100 2HB ALA 100 7.584 8.437 7.186 813 3HB ALA 100 3HB ALA 100 8.225 6.938 6.520 814 H GLU 101 H GLU 101 7.160 10.296 6.206 815 HA GLU 101 HA GLU 101 4.386 10.913 5.463 816 1HB GLU 101 1HB GLU 101 6.056 12.190 7.610 817 2HB GLU 101 2HB GLU 101 4.359 12.510 7.289 818 1HG GLU 101 1HG GLU 101 3.753 10.295 7.937 819 2HG GLU 101 2HG GLU 101 5.445 9.824 8.079 820 HA PRO 102 HA PRO 102 6.339 14.681 3.818 821 1HB PRO 102 1HB PRO 102 9.030 15.173 4.092 822 2HB PRO 102 2HB PRO 102 7.758 15.687 5.224 823 1HG PRO 102 1HG PRO 102 9.850 13.779 5.695 824 2HG PRO 102 2HG PRO 102 8.552 14.268 6.792 825 1HD PRO 102 1HD PRO 102 8.720 11.921 4.989 826 2HD PRO 102 2HD PRO 102 7.827 12.114 6.512 Start of MODEL 20 1 H HIS 1 H HIS 1 4.168 9.886 -11.020 2 HA HIS 1 HA HIS 1 1.806 9.848 -11.166 3 1HB HIS 1 1HB HIS 1 2.149 6.900 -10.503 4 2HB HIS 1 2HB HIS 1 0.621 7.759 -10.468 5 HD1 HIS 1 HD1 HIS 1 -0.442 8.364 -12.859 6 HD2 HIS 1 HD2 HIS 1 3.000 6.029 -12.952 7 HE1 HIS 1 HE1 HIS 1 -0.287 7.438 -15.178 8 H MET 2 H MET 2 0.522 10.003 -9.138 9 HA MET 2 HA MET 2 1.922 9.438 -6.675 10 1HB MET 2 1HB MET 2 1.015 12.270 -7.297 11 2HB MET 2 2HB MET 2 1.700 11.697 -5.803 12 1HG MET 2 1HG MET 2 3.414 12.925 -6.783 13 2HG MET 2 2HG MET 2 3.833 11.255 -7.143 14 1HE MET 2 1HE MET 2 1.993 14.180 -10.227 15 2HE MET 2 2HE MET 2 2.299 14.594 -8.540 16 3HE MET 2 3HE MET 2 1.033 13.438 -8.954 17 H THR 3 H THR 3 0.438 9.140 -5.046 18 HA THR 3 HA THR 3 -2.336 9.901 -5.615 19 HB THR 3 HB THR 3 -1.475 7.454 -4.053 20 HG1 THR 3 HG1 THR 3 -2.695 6.540 -6.011 21 1HG2 THR 3 1HG2 THR 3 -4.193 8.360 -5.022 22 2HG2 THR 3 2HG2 THR 3 -3.628 8.395 -3.354 23 3HG2 THR 3 3HG2 THR 3 -3.857 6.850 -4.172 24 H PHE 4 H PHE 4 -2.788 11.510 -4.311 25 HA PHE 4 HA PHE 4 -2.005 11.231 -1.512 26 1HB PHE 4 1HB PHE 4 -2.247 13.801 -3.063 27 2HB PHE 4 2HB PHE 4 -1.919 13.672 -1.333 28 HD1 PHE 4 HD1 PHE 4 0.140 12.300 -0.661 29 HD2 PHE 4 HD2 PHE 4 -0.476 13.903 -4.543 30 HE1 PHE 4 HE1 PHE 4 2.542 12.107 -1.119 31 HE2 PHE 4 HE2 PHE 4 1.925 13.711 -5.003 32 HZ PHE 4 HZ PHE 4 3.428 12.788 -3.289 33 H CYS 5 H CYS 5 -4.499 11.459 -3.733 34 HA CYS 5 HA CYS 5 -6.396 12.711 -1.985 35 1HB CYS 5 1HB CYS 5 -6.739 11.260 -4.607 36 2HB CYS 5 2HB CYS 5 -8.037 12.076 -3.743 37 HG CYS 5 HG CYS 5 -7.663 13.963 -5.441 38 H LEU 6 H LEU 6 -6.479 11.517 -0.169 39 HA LEU 6 HA LEU 6 -6.866 8.714 -0.327 40 1HB LEU 6 1HB LEU 6 -6.991 8.821 2.200 41 2HB LEU 6 2HB LEU 6 -5.475 9.217 1.471 42 HG LEU 6 HG LEU 6 -5.821 10.473 3.407 43 1HD1 LEU 6 1HD1 LEU 6 -5.527 12.739 2.772 44 2HD1 LEU 6 2HD1 LEU 6 -6.114 12.409 1.159 45 3HD1 LEU 6 3HD1 LEU 6 -4.622 11.653 1.727 46 1HD2 LEU 6 1HD2 LEU 6 -7.602 12.089 3.781 47 2HD2 LEU 6 2HD2 LEU 6 -8.238 10.448 3.612 48 3HD2 LEU 6 3HD2 LEU 6 -8.369 11.589 2.279 49 H GLU 7 H GLU 7 -8.803 11.470 0.458 50 HA GLU 7 HA GLU 7 -11.007 9.929 1.388 51 1HB GLU 7 1HB GLU 7 -10.559 12.029 2.344 52 2HB GLU 7 2HB GLU 7 -10.608 12.856 0.822 53 1HG GLU 7 1HG GLU 7 -13.089 12.156 0.786 54 2HG GLU 7 2HG GLU 7 -12.843 11.744 2.485 55 H THR 8 H THR 8 -9.905 10.690 -1.664 56 HA THR 8 HA THR 8 -12.389 10.844 -2.997 57 HB THR 8 HB THR 8 -9.714 9.940 -4.098 58 HG1 THR 8 HG1 THR 8 -10.013 12.391 -4.753 59 1HG2 THR 8 1HG2 THR 8 -10.589 10.819 -6.237 60 2HG2 THR 8 2HG2 THR 8 -12.113 11.220 -5.444 61 3HG2 THR 8 3HG2 THR 8 -11.624 9.535 -5.612 62 H TYR 9 H TYR 9 -10.438 8.276 -1.669 63 HA TYR 9 HA TYR 9 -11.638 6.292 -3.282 64 1HB TYR 9 1HB TYR 9 -9.597 6.242 -1.120 65 2HB TYR 9 2HB TYR 9 -10.384 4.737 -1.611 66 HD1 TYR 9 HD1 TYR 9 -10.071 3.835 -3.793 67 HD2 TYR 9 HD2 TYR 9 -8.166 7.475 -2.719 68 HE1 TYR 9 HE1 TYR 9 -8.717 3.698 -5.809 69 HE2 TYR 9 HE2 TYR 9 -6.777 7.347 -4.755 70 HH TYR 9 HH TYR 9 -5.999 5.692 -6.381 71 H LEU 10 H LEU 10 -12.393 7.756 -0.311 72 HA LEU 10 HA LEU 10 -14.139 5.738 0.628 73 1HB LEU 10 1HB LEU 10 -13.269 7.741 1.952 74 2HB LEU 10 2HB LEU 10 -14.389 8.736 1.060 75 HG LEU 10 HG LEU 10 -15.293 6.473 2.865 76 1HD1 LEU 10 1HD1 LEU 10 -15.732 8.199 4.554 77 2HD1 LEU 10 2HD1 LEU 10 -14.974 9.401 3.513 78 3HD1 LEU 10 3HD1 LEU 10 -14.014 8.081 4.178 79 1HD2 LEU 10 1HD2 LEU 10 -16.963 7.266 1.241 80 2HD2 LEU 10 2HD2 LEU 10 -16.739 8.918 1.822 81 3HD2 LEU 10 3HD2 LEU 10 -17.419 7.692 2.892 82 H GLN 11 H GLN 11 -14.377 8.494 -1.469 83 HA GLN 11 HA GLN 11 -17.165 8.410 -1.948 84 1HB GLN 11 1HB GLN 11 -14.878 9.699 -3.433 85 2HB GLN 11 2HB GLN 11 -16.561 9.918 -3.882 86 1HG GLN 11 1HG GLN 11 -15.337 10.672 -1.229 87 2HG GLN 11 2HG GLN 11 -15.697 11.788 -2.546 88 1HE2 GLN 11 1HE2 GLN 11 -16.730 11.717 0.211 89 2HE2 GLN 11 2HE2 GLN 11 -18.433 11.584 0.066 90 H GLN 12 H GLN 12 -14.365 6.925 -3.378 91 HA GLN 12 HA GLN 12 -15.927 5.947 -5.569 92 1HB GLN 12 1HB GLN 12 -13.033 5.481 -4.875 93 2HB GLN 12 2HB GLN 12 -13.800 4.819 -6.304 94 1HG GLN 12 1HG GLN 12 -13.476 7.737 -5.648 95 2HG GLN 12 2HG GLN 12 -12.545 6.830 -6.837 96 1HE2 GLN 12 1HE2 GLN 12 -14.893 5.343 -7.823 97 2HE2 GLN 12 2HE2 GLN 12 -15.816 6.490 -8.711 98 H SER 13 H SER 13 -15.759 5.057 -2.508 99 HA SER 13 HA SER 13 -16.144 3.260 -1.286 100 1HB SER 13 1HB SER 13 -17.404 2.171 -3.824 101 2HB SER 13 2HB SER 13 -17.736 1.610 -2.184 102 HG SER 13 HG SER 13 -19.005 3.251 -1.863 103 H GLY 14 H GLY 14 -13.617 3.356 -2.156 104 1HA GLY 14 1HA GLY 14 -12.886 0.552 -2.313 105 2HA GLY 14 2HA GLY 14 -12.278 1.624 -3.578 106 H GLU 15 H GLU 15 -12.792 1.896 -0.128 107 HA GLU 15 HA GLU 15 -10.704 3.641 0.403 108 1HB GLU 15 1HB GLU 15 -12.111 1.674 2.210 109 2HB GLU 15 2HB GLU 15 -11.116 3.016 2.760 110 1HG GLU 15 1HG GLU 15 -12.649 4.618 1.865 111 2HG GLU 15 2HG GLU 15 -13.553 3.364 1.038 112 H TYR 16 H TYR 16 -8.645 3.408 0.844 113 HA TYR 16 HA TYR 16 -7.444 0.750 1.243 114 1HB TYR 16 1HB TYR 16 -7.319 1.524 -1.160 115 2HB TYR 16 2HB TYR 16 -6.516 2.976 -0.616 116 HD1 TYR 16 HD1 TYR 16 -6.069 -0.757 -0.489 117 HD2 TYR 16 HD2 TYR 16 -4.212 3.055 -0.851 118 HE1 TYR 16 HE1 TYR 16 -3.917 -1.854 -0.985 119 HE2 TYR 16 HE2 TYR 16 -2.054 1.975 -1.330 120 HH TYR 16 HH TYR 16 -0.886 -0.097 -1.172 121 H GLU 17 H GLU 17 -8.309 3.198 2.798 122 HA GLU 17 HA GLU 17 -5.852 3.648 4.253 123 1HB GLU 17 1HB GLU 17 -6.297 6.060 4.370 124 2HB GLU 17 2HB GLU 17 -5.611 5.464 2.879 125 1HG GLU 17 1HG GLU 17 -8.558 5.819 3.148 126 2HG GLU 17 2HG GLU 17 -7.575 7.253 2.928 127 H ILE 18 H ILE 18 -6.215 5.206 6.054 128 HA ILE 18 HA ILE 18 -8.754 4.645 6.997 129 HB ILE 18 HB ILE 18 -7.108 3.624 8.455 130 1HG1 ILE 18 1HG1 ILE 18 -8.478 5.872 9.959 131 2HG1 ILE 18 2HG1 ILE 18 -9.170 4.298 9.595 132 1HG2 ILE 18 1HG2 ILE 18 -6.025 6.375 8.923 133 2HG2 ILE 18 2HG2 ILE 18 -5.215 4.983 8.181 134 3HG2 ILE 18 3HG2 ILE 18 -5.602 4.970 9.895 135 1HD1 ILE 18 1HD1 ILE 18 -7.507 3.241 11.053 136 2HD1 ILE 18 2HD1 ILE 18 -8.456 4.451 11.916 137 3HD1 ILE 18 3HD1 ILE 18 -6.813 4.825 11.396 138 H HIS 19 H HIS 19 -7.953 6.770 5.337 139 HA HIS 19 HA HIS 19 -8.222 8.960 4.873 140 1HB HIS 19 1HB HIS 19 -10.439 8.582 6.880 141 2HB HIS 19 2HB HIS 19 -10.247 10.038 5.888 142 HD1 HIS 19 HD1 HIS 19 -11.292 6.442 5.644 143 HD2 HIS 19 HD2 HIS 19 -10.559 9.696 3.204 144 HE1 HIS 19 HE1 HIS 19 -12.064 5.765 3.380 145 H MET 20 H MET 20 -6.220 8.949 5.790 146 HA MET 20 HA MET 20 -5.893 11.015 7.789 147 1HB MET 20 1HB MET 20 -4.801 8.240 7.672 148 2HB MET 20 2HB MET 20 -3.836 9.445 8.529 149 1HG MET 20 1HG MET 20 -6.611 8.425 9.105 150 2HG MET 20 2HG MET 20 -5.148 8.100 10.033 151 1HE MET 20 1HE MET 20 -3.917 9.864 11.477 152 2HE MET 20 2HE MET 20 -4.457 11.522 11.716 153 3HE MET 20 3HE MET 20 -3.813 11.021 10.150 154 H LYS 21 H LYS 21 -2.921 10.842 7.374 155 HA LYS 21 HA LYS 21 -3.042 12.052 4.738 156 1HB LYS 21 1HB LYS 21 -1.998 13.270 6.588 157 2HB LYS 21 2HB LYS 21 -0.824 11.980 6.784 158 1HG LYS 21 1HG LYS 21 0.158 12.503 4.660 159 2HG LYS 21 2HG LYS 21 -1.107 13.697 4.336 160 1HD LYS 21 1HD LYS 21 -0.409 15.015 6.221 161 2HD LYS 21 2HD LYS 21 0.787 13.808 6.674 162 1HE LYS 21 1HE LYS 21 1.857 15.660 5.553 163 2HE LYS 21 2HE LYS 21 1.955 14.220 4.547 164 1HZ LYS 21 1HZ LYS 21 1.397 16.202 3.300 165 2HZ LYS 21 2HZ LYS 21 -0.022 16.404 4.206 166 3HZ LYS 21 3HZ LYS 21 0.138 15.084 3.200 167 H ARG 22 H ARG 22 -2.625 10.907 2.979 168 HA ARG 22 HA ARG 22 -0.951 8.501 3.231 169 1HB ARG 22 1HB ARG 22 -2.254 7.504 1.421 170 2HB ARG 22 2HB ARG 22 -3.397 8.374 2.395 171 1HG ARG 22 1HG ARG 22 -3.596 10.090 0.814 172 2HG ARG 22 2HG ARG 22 -2.161 9.545 -0.055 173 1HD ARG 22 1HD ARG 22 -4.749 7.995 0.196 174 2HD ARG 22 2HD ARG 22 -4.186 8.883 -1.221 175 HE ARG 22 HE ARG 22 -2.157 7.217 -0.869 176 1HH1 ARG 22 1HH1 ARG 22 -5.621 6.301 -0.484 177 2HH1 ARG 22 2HH1 ARG 22 -5.401 4.820 -1.209 178 1HH2 ARG 22 1HH2 ARG 22 -1.912 5.274 -1.749 179 2HH2 ARG 22 2HH2 ARG 22 -3.194 4.157 -2.037 180 H ALA 23 H ALA 23 0.466 8.067 1.339 181 HA ALA 23 HA ALA 23 1.003 10.298 -0.444 182 1HB ALA 23 1HB ALA 23 3.115 9.534 1.578 183 2HB ALA 23 2HB ALA 23 2.253 11.070 1.492 184 3HB ALA 23 3HB ALA 23 3.377 10.614 0.211 185 H GLY 24 H GLY 24 0.605 8.780 -2.108 186 1HA GLY 24 1HA GLY 24 2.448 6.510 -2.272 187 2HA GLY 24 2HA GLY 24 0.884 6.628 -3.047 188 H PHE 25 H PHE 25 4.191 7.538 -3.126 189 HA PHE 25 HA PHE 25 3.993 8.869 -5.683 190 1HB PHE 25 1HB PHE 25 6.349 7.935 -4.063 191 2HB PHE 25 2HB PHE 25 6.513 8.756 -5.606 192 HD1 PHE 25 HD1 PHE 25 5.799 11.117 -5.809 193 HD2 PHE 25 HD2 PHE 25 5.880 9.116 -2.057 194 HE1 PHE 25 HE1 PHE 25 5.763 13.283 -4.661 195 HE2 PHE 25 HE2 PHE 25 5.841 11.291 -0.899 196 HZ PHE 25 HZ PHE 25 5.785 13.369 -2.200 197 H ARG 26 H ARG 26 5.662 5.951 -4.633 198 HA ARG 26 HA ARG 26 5.992 5.103 -7.383 199 1HB ARG 26 1HB ARG 26 6.737 3.871 -4.763 200 2HB ARG 26 2HB ARG 26 7.035 3.103 -6.305 201 1HG ARG 26 1HG ARG 26 8.112 5.822 -5.672 202 2HG ARG 26 2HG ARG 26 8.951 4.346 -5.190 203 1HD ARG 26 1HD ARG 26 8.946 3.602 -7.492 204 2HD ARG 26 2HD ARG 26 8.158 5.103 -7.989 205 HE ARG 26 HE ARG 26 10.455 5.765 -6.550 206 1HH1 ARG 26 1HH1 ARG 26 9.730 4.207 -9.625 207 2HH1 ARG 26 2HH1 ARG 26 11.185 4.673 -10.381 208 1HH2 ARG 26 1HH2 ARG 26 12.429 6.414 -7.559 209 2HH2 ARG 26 2HH2 ARG 26 12.767 5.963 -9.169 210 H GLU 27 H GLU 27 4.177 4.160 -4.566 211 HA GLU 27 HA GLU 27 3.212 1.777 -5.791 212 1HB GLU 27 1HB GLU 27 3.709 2.200 -3.325 213 2HB GLU 27 2HB GLU 27 2.137 2.991 -3.325 214 1HG GLU 27 1HG GLU 27 1.053 0.981 -3.972 215 2HG GLU 27 2HG GLU 27 2.603 0.152 -4.136 216 H CYS 28 H CYS 28 2.265 5.046 -6.102 217 HA CYS 28 HA CYS 28 -0.445 5.115 -6.231 218 1HB CYS 28 1HB CYS 28 0.954 7.026 -6.797 219 2HB CYS 28 2HB CYS 28 1.547 6.203 -8.232 220 HG CYS 28 HG CYS 28 -1.551 7.372 -7.633 221 H ALA 29 H ALA 29 1.777 3.834 -8.672 222 HA ALA 29 HA ALA 29 -0.253 3.171 -10.552 223 1HB ALA 29 1HB ALA 29 2.056 3.632 -11.225 224 2HB ALA 29 2HB ALA 29 1.522 2.039 -11.772 225 3HB ALA 29 3HB ALA 29 2.582 2.182 -10.371 226 H ALA 30 H ALA 30 1.397 1.429 -8.060 227 HA ALA 30 HA ALA 30 0.572 -1.158 -8.589 228 1HB ALA 30 1HB ALA 30 1.138 -1.604 -6.321 229 2HB ALA 30 2HB ALA 30 1.054 0.114 -5.934 230 3HB ALA 30 3HB ALA 30 2.310 -0.485 -7.017 231 H MET 31 H MET 31 -0.940 1.362 -6.637 232 HA MET 31 HA MET 31 -2.896 -0.397 -5.576 233 1HB MET 31 1HB MET 31 -4.066 1.475 -4.689 234 2HB MET 31 2HB MET 31 -2.348 1.721 -4.451 235 1HG MET 31 1HG MET 31 -2.300 3.291 -6.298 236 2HG MET 31 2HG MET 31 -4.011 3.010 -6.602 237 1HE MET 31 1HE MET 31 -5.905 3.498 -4.777 238 2HE MET 31 2HE MET 31 -5.613 4.388 -3.289 239 3HE MET 31 3HE MET 31 -5.015 2.742 -3.449 240 H ILE 32 H ILE 32 -2.813 1.462 -8.473 241 HA ILE 32 HA ILE 32 -5.535 1.285 -9.157 242 HB ILE 32 HB ILE 32 -3.099 1.355 -10.961 243 1HG1 ILE 32 1HG1 ILE 32 -4.799 3.640 -9.917 244 2HG1 ILE 32 2HG1 ILE 32 -3.184 3.235 -9.355 245 1HG2 ILE 32 1HG2 ILE 32 -4.668 2.335 -12.634 246 2HG2 ILE 32 2HG2 ILE 32 -6.002 2.057 -11.515 247 3HG2 ILE 32 3HG2 ILE 32 -5.115 0.687 -12.184 248 1HD1 ILE 32 1HD1 ILE 32 -2.293 3.753 -11.577 249 2HD1 ILE 32 2HD1 ILE 32 -3.142 5.129 -10.873 250 3HD1 ILE 32 3HD1 ILE 32 -3.917 4.161 -12.128 251 H GLU 33 H GLU 33 -2.798 -0.867 -9.507 252 HA GLU 33 HA GLU 33 -4.173 -2.781 -11.134 253 1HB GLU 33 1HB GLU 33 -1.642 -3.132 -9.526 254 2HB GLU 33 2HB GLU 33 -2.197 -4.100 -10.887 255 1HG GLU 33 1HG GLU 33 -1.869 -2.208 -12.380 256 2HG GLU 33 2HG GLU 33 -1.328 -1.226 -11.019 257 H LYS 34 H LYS 34 -3.343 -2.375 -7.741 258 HA LYS 34 HA LYS 34 -4.101 -4.905 -6.790 259 1HB LYS 34 1HB LYS 34 -3.859 -2.232 -5.449 260 2HB LYS 34 2HB LYS 34 -4.331 -3.665 -4.561 261 1HG LYS 34 1HG LYS 34 -2.291 -4.627 -4.707 262 2HG LYS 34 2HG LYS 34 -1.785 -3.747 -6.157 263 1HD LYS 34 1HD LYS 34 -1.709 -1.697 -4.762 264 2HD LYS 34 2HD LYS 34 -2.114 -2.701 -3.353 265 1HE LYS 34 1HE LYS 34 -0.030 -3.931 -3.719 266 2HE LYS 34 2HE LYS 34 0.326 -2.894 -5.094 267 1HZ LYS 34 1HZ LYS 34 0.436 -0.999 -3.663 268 2HZ LYS 34 2HZ LYS 34 1.374 -2.161 -2.904 269 3HZ LYS 34 3HZ LYS 34 -0.170 -1.816 -2.377 270 H LYS 35 H LYS 35 -5.913 -2.273 -7.806 271 HA LYS 35 HA LYS 35 -8.288 -2.454 -6.349 272 1HB LYS 35 1HB LYS 35 -7.733 -0.566 -7.712 273 2HB LYS 35 2HB LYS 35 -7.659 -1.556 -9.152 274 1HG LYS 35 1HG LYS 35 -10.086 -1.950 -8.939 275 2HG LYS 35 2HG LYS 35 -10.108 -0.840 -7.566 276 1HD LYS 35 1HD LYS 35 -9.289 0.954 -8.951 277 2HD LYS 35 2HD LYS 35 -9.128 -0.145 -10.322 278 1HE LYS 35 1HE LYS 35 -11.502 -0.506 -10.350 279 2HE LYS 35 2HE LYS 35 -11.716 0.531 -8.940 280 1HZ LYS 35 1HZ LYS 35 -10.691 1.387 -11.602 281 2HZ LYS 35 2HZ LYS 35 -10.872 2.389 -10.261 282 3HZ LYS 35 3HZ LYS 35 -12.217 1.708 -10.988 283 H ALA 36 H ALA 36 -6.973 -4.475 -8.848 284 HA ALA 36 HA ALA 36 -9.399 -5.605 -9.736 285 1HB ALA 36 1HB ALA 36 -7.356 -5.724 -11.060 286 2HB ALA 36 2HB ALA 36 -8.009 -7.337 -10.769 287 3HB ALA 36 3HB ALA 36 -6.615 -6.766 -9.847 288 H ARG 37 H ARG 37 -6.855 -6.873 -7.605 289 HA ARG 37 HA ARG 37 -8.713 -8.007 -5.758 290 1HB ARG 37 1HB ARG 37 -8.637 -9.692 -7.757 291 2HB ARG 37 2HB ARG 37 -7.020 -10.057 -7.172 292 1HG ARG 37 1HG ARG 37 -9.547 -10.397 -5.529 293 2HG ARG 37 2HG ARG 37 -8.739 -11.691 -6.399 294 1HD ARG 37 1HD ARG 37 -6.758 -11.402 -5.008 295 2HD ARG 37 2HD ARG 37 -7.518 -10.043 -4.184 296 HE ARG 37 HE ARG 37 -8.773 -12.679 -4.083 297 1HH1 ARG 37 1HH1 ARG 37 -7.116 -10.025 -2.355 298 2HH1 ARG 37 2HH1 ARG 37 -7.399 -10.681 -0.829 299 1HH2 ARG 37 1HH2 ARG 37 -9.141 -13.536 -1.974 300 2HH2 ARG 37 2HH2 ARG 37 -8.571 -12.704 -0.585 301 H ARG 38 H ARG 38 -5.460 -8.793 -7.001 302 HA ARG 38 HA ARG 38 -4.239 -7.496 -4.802 303 1HB ARG 38 1HB ARG 38 -3.013 -9.427 -3.908 304 2HB ARG 38 2HB ARG 38 -4.739 -9.703 -3.766 305 1HG ARG 38 1HG ARG 38 -4.724 -11.296 -5.527 306 2HG ARG 38 2HG ARG 38 -3.085 -10.848 -5.998 307 1HD ARG 38 1HD ARG 38 -2.234 -11.670 -3.865 308 2HD ARG 38 2HD ARG 38 -3.873 -12.082 -3.372 309 HE ARG 38 HE ARG 38 -3.900 -13.719 -5.159 310 1HH1 ARG 38 1HH1 ARG 38 -0.644 -12.487 -4.363 311 2HH1 ARG 38 2HH1 ARG 38 0.111 -13.983 -4.646 312 1HH2 ARG 38 1HH2 ARG 38 -2.775 -15.742 -5.603 313 2HH2 ARG 38 2HH2 ARG 38 -1.094 -15.821 -5.359 314 H VAL 39 H VAL 39 -2.281 -6.762 -5.517 315 HA VAL 39 HA VAL 39 -0.997 -8.127 -7.747 316 HB VAL 39 HB VAL 39 -1.829 -5.213 -7.816 317 1HG1 VAL 39 1HG1 VAL 39 -0.655 -5.065 -9.999 318 2HG1 VAL 39 2HG1 VAL 39 -0.138 -6.734 -9.821 319 3HG1 VAL 39 3HG1 VAL 39 0.471 -5.507 -8.713 320 1HG2 VAL 39 1HG2 VAL 39 -2.990 -5.808 -9.903 321 2HG2 VAL 39 2HG2 VAL 39 -3.585 -6.746 -8.532 322 3HG2 VAL 39 3HG2 VAL 39 -2.482 -7.483 -9.694 323 H VAL 40 H VAL 40 1.188 -7.807 -7.808 324 HA VAL 40 HA VAL 40 2.321 -6.310 -5.594 325 HB VAL 40 HB VAL 40 3.033 -8.690 -5.626 326 1HG1 VAL 40 1HG1 VAL 40 4.094 -8.139 -8.382 327 2HG1 VAL 40 2HG1 VAL 40 2.745 -9.195 -7.959 328 3HG1 VAL 40 3HG1 VAL 40 4.379 -9.603 -7.443 329 1HG2 VAL 40 1HG2 VAL 40 5.485 -8.417 -5.740 330 2HG2 VAL 40 2HG2 VAL 40 4.696 -7.145 -4.801 331 3HG2 VAL 40 3HG2 VAL 40 5.251 -6.819 -6.442 332 H HIS 41 H HIS 41 4.052 -4.848 -6.026 333 HA HIS 41 HA HIS 41 4.490 -4.179 -8.807 334 1HB HIS 41 1HB HIS 41 2.599 -2.837 -7.746 335 2HB HIS 41 2HB HIS 41 3.797 -2.178 -6.655 336 HD1 HIS 41 HD1 HIS 41 2.419 -1.818 -10.158 337 HD2 HIS 41 HD2 HIS 41 5.405 -0.144 -7.762 338 HE1 HIS 41 HE1 HIS 41 3.283 0.161 -11.379 339 H ILE 42 H ILE 42 6.637 -3.849 -9.043 340 HA ILE 42 HA ILE 42 8.326 -4.051 -6.722 341 HB ILE 42 HB ILE 42 8.906 -5.262 -8.826 342 1HG1 ILE 42 1HG1 ILE 42 10.957 -3.172 -8.031 343 2HG1 ILE 42 2HG1 ILE 42 10.690 -4.706 -7.222 344 1HG2 ILE 42 1HG2 ILE 42 9.823 -4.024 -10.756 345 2HG2 ILE 42 2HG2 ILE 42 9.338 -2.512 -9.989 346 3HG2 ILE 42 3HG2 ILE 42 8.115 -3.684 -10.477 347 1HD1 ILE 42 1HD1 ILE 42 11.676 -4.349 -10.044 348 2HD1 ILE 42 2HD1 ILE 42 11.420 -5.890 -9.227 349 3HD1 ILE 42 3HD1 ILE 42 12.658 -4.777 -8.644 350 H LYS 43 H LYS 43 9.677 -2.465 -5.918 351 HA LYS 43 HA LYS 43 10.428 -0.403 -5.389 352 1HB LYS 43 1HB LYS 43 9.604 0.403 -8.190 353 2HB LYS 43 2HB LYS 43 10.509 1.418 -7.088 354 1HG LYS 43 1HG LYS 43 12.358 -0.148 -7.159 355 2HG LYS 43 2HG LYS 43 11.433 -1.203 -8.235 356 1HD LYS 43 1HD LYS 43 11.330 0.551 -9.900 357 2HD LYS 43 2HD LYS 43 12.194 1.649 -8.823 358 1HE LYS 43 1HE LYS 43 14.118 0.142 -8.864 359 2HE LYS 43 2HE LYS 43 13.260 -0.929 -9.972 360 1HZ LYS 43 1HZ LYS 43 14.000 1.886 -10.496 361 2HZ LYS 43 2HZ LYS 43 13.162 0.877 -11.558 362 3HZ LYS 43 3HZ LYS 43 14.764 0.518 -11.146 363 HA PRO 44 HA PRO 44 6.120 1.062 -4.715 364 1HB PRO 44 1HB PRO 44 5.732 0.366 -2.165 365 2HB PRO 44 2HB PRO 44 5.529 -0.824 -3.462 366 1HG PRO 44 1HG PRO 44 7.939 -0.334 -1.736 367 2HG PRO 44 2HG PRO 44 7.139 -1.880 -2.049 368 1HD PRO 44 1HD PRO 44 9.313 -1.145 -3.427 369 2HD PRO 44 2HD PRO 44 7.978 -2.022 -4.197 370 H GLY 45 H GLY 45 5.412 2.677 -3.018 371 1HA GLY 45 1HA GLY 45 7.259 3.918 -1.317 372 2HA GLY 45 2HA GLY 45 7.208 4.758 -2.864 373 H GLU 46 H GLU 46 4.726 3.171 -0.926 374 HA GLU 46 HA GLU 46 3.330 5.737 -0.774 375 1HB GLU 46 1HB GLU 46 1.973 4.501 -2.145 376 2HB GLU 46 2HB GLU 46 2.287 2.986 -1.332 377 1HG GLU 46 1HG GLU 46 0.011 3.587 -0.939 378 2HG GLU 46 2HG GLU 46 0.880 3.850 0.566 379 H LYS 47 H LYS 47 2.783 6.421 1.049 380 HA LYS 47 HA LYS 47 3.308 4.749 3.377 381 1HB LYS 47 1HB LYS 47 3.925 7.666 3.078 382 2HB LYS 47 2HB LYS 47 4.199 6.656 4.490 383 1HG LYS 47 1HG LYS 47 6.065 5.783 3.693 384 2HG LYS 47 2HG LYS 47 5.375 5.560 2.082 385 1HD LYS 47 1HD LYS 47 6.201 8.187 3.179 386 2HD LYS 47 2HD LYS 47 7.271 7.120 2.212 387 1HE LYS 47 1HE LYS 47 5.803 7.358 0.349 388 2HE LYS 47 2HE LYS 47 4.604 8.211 1.312 389 1HZ LYS 47 1HZ LYS 47 6.312 9.935 1.676 390 2HZ LYS 47 2HZ LYS 47 5.799 9.779 0.063 391 3HZ LYS 47 3HZ LYS 47 7.293 9.146 0.538 392 H ILE 48 H ILE 48 1.355 4.464 2.936 393 HA ILE 48 HA ILE 48 -0.709 6.369 3.156 394 HB ILE 48 HB ILE 48 -2.174 4.336 3.733 395 1HG1 ILE 48 1HG1 ILE 48 0.186 2.938 2.465 396 2HG1 ILE 48 2HG1 ILE 48 -0.460 2.667 4.076 397 1HG2 ILE 48 1HG2 ILE 48 -2.657 5.554 1.889 398 2HG2 ILE 48 2HG2 ILE 48 -2.596 3.866 1.381 399 3HG2 ILE 48 3HG2 ILE 48 -1.254 4.948 1.011 400 1HD1 ILE 48 1HD1 ILE 48 -1.903 2.082 1.502 401 2HD1 ILE 48 2HD1 ILE 48 -2.486 1.723 3.129 402 3HD1 ILE 48 3HD1 ILE 48 -1.058 0.900 2.493 403 H LEU 49 H LEU 49 -0.835 7.474 4.853 404 HA LEU 49 HA LEU 49 -1.417 8.222 6.825 405 1HB LEU 49 1HB LEU 49 -2.395 5.549 7.771 406 2HB LEU 49 2HB LEU 49 -2.999 7.129 8.176 407 HG LEU 49 HG LEU 49 -4.713 6.416 6.902 408 1HD1 LEU 49 1HD1 LEU 49 -4.057 8.358 5.736 409 2HD1 LEU 49 2HD1 LEU 49 -4.709 7.181 4.600 410 3HD1 LEU 49 3HD1 LEU 49 -2.972 7.424 4.716 411 1HD2 LEU 49 1HD2 LEU 49 -4.439 4.861 4.913 412 2HD2 LEU 49 2HD2 LEU 49 -4.121 4.219 6.520 413 3HD2 LEU 49 3HD2 LEU 49 -2.771 4.655 5.482 414 H GLY 50 H GLY 50 1.005 6.322 6.484 415 1HA GLY 50 1HA GLY 50 2.903 5.890 7.778 416 2HA GLY 50 2HA GLY 50 2.111 6.730 9.111 417 H ALA 51 H ALA 51 0.113 4.364 7.761 418 HA ALA 51 HA ALA 51 0.936 2.044 9.184 419 1HB ALA 51 1HB ALA 51 -0.996 1.981 10.718 420 2HB ALA 51 2HB ALA 51 -1.463 3.597 10.192 421 3HB ALA 51 3HB ALA 51 0.043 3.363 11.077 422 H ARG 52 H ARG 52 0.151 0.419 7.916 423 HA ARG 52 HA ARG 52 -1.642 1.157 5.819 424 1HB ARG 52 1HB ARG 52 0.211 -0.399 5.385 425 2HB ARG 52 2HB ARG 52 -0.556 -1.592 6.428 426 1HG ARG 52 1HG ARG 52 -2.512 -1.612 4.924 427 2HG ARG 52 2HG ARG 52 -1.688 -0.477 3.863 428 1HD ARG 52 1HD ARG 52 -1.391 -2.651 2.950 429 2HD ARG 52 2HD ARG 52 0.149 -2.157 3.648 430 HE ARG 52 HE ARG 52 -1.708 -3.861 5.145 431 1HH1 ARG 52 1HH1 ARG 52 1.556 -3.305 3.845 432 2HH1 ARG 52 2HH1 ARG 52 2.178 -4.775 4.405 433 1HH2 ARG 52 1HH2 ARG 52 -0.831 -5.947 5.850 434 2HH2 ARG 52 2HH2 ARG 52 0.788 -6.325 5.516 435 H ILE 53 H ILE 53 -3.546 1.638 6.659 436 HA ILE 53 HA ILE 53 -5.125 -0.606 7.688 437 HB ILE 53 HB ILE 53 -5.556 2.371 8.076 438 1HG1 ILE 53 1HG1 ILE 53 -3.690 1.577 9.478 439 2HG1 ILE 53 2HG1 ILE 53 -5.070 2.036 10.465 440 1HG2 ILE 53 1HG2 ILE 53 -7.106 0.021 9.182 441 2HG2 ILE 53 2HG2 ILE 53 -7.666 1.161 7.962 442 3HG2 ILE 53 3HG2 ILE 53 -7.391 1.705 9.617 443 1HD1 ILE 53 1HD1 ILE 53 -5.654 -0.339 10.706 444 2HD1 ILE 53 2HD1 ILE 53 -4.044 0.032 11.315 445 3HD1 ILE 53 3HD1 ILE 53 -4.229 -0.772 9.754 446 H ILE 54 H ILE 54 -6.317 -1.313 6.038 447 HA ILE 54 HA ILE 54 -6.726 0.179 3.646 448 HB ILE 54 HB ILE 54 -8.103 -2.370 4.600 449 1HG1 ILE 54 1HG1 ILE 54 -5.715 -2.034 2.767 450 2HG1 ILE 54 2HG1 ILE 54 -5.622 -2.540 4.446 451 1HG2 ILE 54 1HG2 ILE 54 -9.360 -1.282 2.800 452 2HG2 ILE 54 2HG2 ILE 54 -8.628 -2.790 2.255 453 3HG2 ILE 54 3HG2 ILE 54 -7.905 -1.249 1.801 454 1HD1 ILE 54 1HD1 ILE 54 -5.427 -4.433 2.937 455 2HD1 ILE 54 2HD1 ILE 54 -6.986 -4.035 2.211 456 3HD1 ILE 54 3HD1 ILE 54 -6.904 -4.557 3.893 457 H GLY 55 H GLY 55 -8.567 -0.355 6.530 458 1HA GLY 55 1HA GLY 55 -10.180 1.214 7.328 459 2HA GLY 55 2HA GLY 55 -10.449 1.732 5.664 460 H ILE 56 H ILE 56 -10.457 -1.021 4.797 461 HA ILE 56 HA ILE 56 -13.236 -1.654 5.424 462 HB ILE 56 HB ILE 56 -11.381 -2.840 3.321 463 1HG1 ILE 56 1HG1 ILE 56 -13.583 -0.798 2.943 464 2HG1 ILE 56 2HG1 ILE 56 -11.866 -0.412 2.992 465 1HG2 ILE 56 1HG2 ILE 56 -13.456 -3.724 2.319 466 2HG2 ILE 56 2HG2 ILE 56 -14.378 -3.068 3.670 467 3HG2 ILE 56 3HG2 ILE 56 -13.200 -4.348 3.950 468 1HD1 ILE 56 1HD1 ILE 56 -13.217 -2.184 0.974 469 2HD1 ILE 56 2HD1 ILE 56 -11.501 -1.775 1.007 470 3HD1 ILE 56 3HD1 ILE 56 -12.702 -0.519 0.707 471 HA PRO 57 HA PRO 57 -11.382 -4.703 8.245 472 1HB PRO 57 1HB PRO 57 -14.149 -5.711 8.416 473 2HB PRO 57 2HB PRO 57 -13.098 -5.121 9.704 474 1HG PRO 57 1HG PRO 57 -15.190 -3.693 8.856 475 2HG PRO 57 2HG PRO 57 -13.671 -2.910 9.335 476 1HD PRO 57 1HD PRO 57 -14.724 -3.496 6.595 477 2HD PRO 57 2HD PRO 57 -13.917 -2.037 7.220 478 HA PRO 58 HA PRO 58 -11.747 -8.132 5.285 479 1HB PRO 58 1HB PRO 58 -9.165 -8.463 4.829 480 2HB PRO 58 2HB PRO 58 -10.008 -7.041 4.201 481 1HG PRO 58 1HG PRO 58 -8.012 -7.208 6.375 482 2HG PRO 58 2HG PRO 58 -8.515 -5.805 5.421 483 1HD PRO 58 1HD PRO 58 -9.452 -6.652 8.058 484 2HD PRO 58 2HD PRO 58 -9.759 -5.131 7.188 485 H VAL 59 H VAL 59 -10.381 -10.224 5.209 486 HA VAL 59 HA VAL 59 -10.418 -11.543 7.752 487 HB VAL 59 HB VAL 59 -9.431 -12.504 5.031 488 1HG1 VAL 59 1HG1 VAL 59 -8.545 -13.851 6.851 489 2HG1 VAL 59 2HG1 VAL 59 -9.734 -14.767 5.924 490 3HG1 VAL 59 3HG1 VAL 59 -10.173 -14.081 7.489 491 1HG2 VAL 59 1HG2 VAL 59 -11.600 -13.612 4.804 492 2HG2 VAL 59 2HG2 VAL 59 -11.793 -11.864 4.968 493 3HG2 VAL 59 3HG2 VAL 59 -12.115 -12.919 6.340 494 HA PRO 60 HA PRO 60 -6.163 -10.061 8.024 495 1HB PRO 60 1HB PRO 60 -5.984 -10.719 10.784 496 2HB PRO 60 2HB PRO 60 -6.321 -9.138 10.077 497 1HG PRO 60 1HG PRO 60 -8.141 -10.642 11.551 498 2HG PRO 60 2HG PRO 60 -8.561 -9.331 10.440 499 1HD PRO 60 1HD PRO 60 -8.614 -12.293 9.980 500 2HD PRO 60 2HD PRO 60 -9.746 -11.035 9.436 501 H ILE 61 H ILE 61 -5.373 -11.804 6.739 502 HA ILE 61 HA ILE 61 -3.771 -13.655 8.310 503 HB ILE 61 HB ILE 61 -5.297 -14.277 5.733 504 1HG1 ILE 61 1HG1 ILE 61 -5.520 -15.550 8.471 505 2HG1 ILE 61 2HG1 ILE 61 -6.674 -14.420 7.779 506 1HG2 ILE 61 1HG2 ILE 61 -4.326 -16.540 5.840 507 2HG2 ILE 61 2HG2 ILE 61 -3.330 -16.034 7.204 508 3HG2 ILE 61 3HG2 ILE 61 -3.092 -15.299 5.622 509 1HD1 ILE 61 1HD1 ILE 61 -7.478 -16.702 7.633 510 2HD1 ILE 61 2HD1 ILE 61 -6.026 -17.175 6.753 511 3HD1 ILE 61 3HD1 ILE 61 -7.178 -16.058 6.017 512 H GLY 62 H GLY 62 -1.650 -13.895 7.336 513 1HA GLY 62 1HA GLY 62 -0.890 -13.215 4.826 514 2HA GLY 62 2HA GLY 62 -0.968 -11.687 5.707 515 H ILE 63 H ILE 63 1.385 -12.965 4.569 516 HA ILE 63 HA ILE 63 2.959 -12.998 7.039 517 HB ILE 63 HB ILE 63 3.511 -14.927 4.746 518 1HG1 ILE 63 1HG1 ILE 63 3.085 -16.744 6.583 519 2HG1 ILE 63 2HG1 ILE 63 2.166 -15.487 7.395 520 1HG2 ILE 63 1HG2 ILE 63 4.817 -14.668 7.444 521 2HG2 ILE 63 2HG2 ILE 63 5.512 -14.241 5.880 522 3HG2 ILE 63 3HG2 ILE 63 5.168 -15.930 6.262 523 1HD1 ILE 63 1HD1 ILE 63 0.681 -15.337 5.449 524 2HD1 ILE 63 2HD1 ILE 63 0.717 -16.967 6.122 525 3HD1 ILE 63 3HD1 ILE 63 1.611 -16.603 4.646 526 H ASP 64 H ASP 64 4.817 -11.783 6.839 527 HA ASP 64 HA ASP 64 5.352 -10.624 4.201 528 1HB ASP 64 1HB ASP 64 6.068 -9.700 7.002 529 2HB ASP 64 2HB ASP 64 6.851 -9.047 5.578 530 H GLU 65 H GLU 65 6.806 -11.869 3.147 531 HA GLU 65 HA GLU 65 8.676 -13.556 4.395 532 1HB GLU 65 1HB GLU 65 8.312 -12.487 1.637 533 2HB GLU 65 2HB GLU 65 9.840 -13.244 2.042 534 1HG GLU 65 1HG GLU 65 8.183 -14.718 0.949 535 2HG GLU 65 2HG GLU 65 8.794 -15.309 2.490 536 H GLU 66 H GLU 66 9.115 -10.496 2.734 537 HA GLU 66 HA GLU 66 11.051 -9.606 4.599 538 1HB GLU 66 1HB GLU 66 12.066 -11.246 2.656 539 2HB GLU 66 2HB GLU 66 12.110 -9.703 1.823 540 1HG GLU 66 1HG GLU 66 13.487 -10.413 4.395 541 2HG GLU 66 2HG GLU 66 14.229 -10.109 2.809 542 H ARG 67 H ARG 67 11.801 -7.391 3.607 543 HA ARG 67 HA ARG 67 9.441 -6.240 2.515 544 1HB ARG 67 1HB ARG 67 10.574 -5.058 4.341 545 2HB ARG 67 2HB ARG 67 12.018 -4.908 3.339 546 1HG ARG 67 1HG ARG 67 10.594 -2.833 3.446 547 2HG ARG 67 2HG ARG 67 10.935 -3.446 1.832 548 1HD ARG 67 1HD ARG 67 8.597 -2.830 2.072 549 2HD ARG 67 2HD ARG 67 8.883 -4.530 1.696 550 HE ARG 67 HE ARG 67 8.387 -3.772 4.511 551 1HH1 ARG 67 1HH1 ARG 67 7.244 -5.569 1.631 552 2HH1 ARG 67 2HH1 ARG 67 6.152 -6.509 2.558 553 1HH2 ARG 67 1HH2 ARG 67 6.923 -5.160 5.689 554 2HH2 ARG 67 2HH2 ARG 67 6.000 -6.317 4.857 555 H SER 68 H SER 68 12.670 -6.934 1.675 556 HA SER 68 HA SER 68 12.354 -5.770 -0.945 557 1HB SER 68 1HB SER 68 14.463 -5.460 0.298 558 2HB SER 68 2HB SER 68 14.740 -7.197 0.308 559 HG SER 68 HG SER 68 14.329 -5.733 -2.037 560 H THR 69 H THR 69 10.696 -7.845 -0.178 561 HA THR 69 HA THR 69 10.994 -9.670 -2.361 562 HB THR 69 HB THR 69 10.716 -10.689 0.510 563 HG1 THR 69 HG1 THR 69 12.898 -10.191 -1.044 564 1HG2 THR 69 1HG2 THR 69 9.598 -12.133 -1.150 565 2HG2 THR 69 2HG2 THR 69 11.008 -12.939 -0.467 566 3HG2 THR 69 3HG2 THR 69 11.092 -12.233 -2.079 567 H VAL 70 H VAL 70 8.812 -10.864 -2.444 568 HA VAL 70 HA VAL 70 6.676 -9.013 -1.941 569 HB VAL 70 HB VAL 70 5.208 -10.749 -2.817 570 1HG1 VAL 70 1HG1 VAL 70 7.702 -10.485 -4.467 571 2HG1 VAL 70 2HG1 VAL 70 6.421 -9.298 -4.324 572 3HG1 VAL 70 3HG1 VAL 70 6.081 -10.868 -5.066 573 1HG2 VAL 70 1HG2 VAL 70 6.283 -12.730 -1.866 574 2HG2 VAL 70 2HG2 VAL 70 7.668 -12.507 -2.935 575 3HG2 VAL 70 3HG2 VAL 70 6.089 -12.907 -3.610 576 H MET 71 H MET 71 4.904 -9.418 -0.756 577 HA MET 71 HA MET 71 5.296 -11.127 1.582 578 1HB MET 71 1HB MET 71 4.038 -9.439 2.878 579 2HB MET 71 2HB MET 71 5.492 -8.729 2.195 580 1HG MET 71 1HG MET 71 4.105 -7.765 0.376 581 2HG MET 71 2HG MET 71 2.673 -8.400 1.177 582 1HE MET 71 1HE MET 71 1.557 -5.983 1.253 583 2HE MET 71 2HE MET 71 2.953 -5.372 0.374 584 3HE MET 71 3HE MET 71 2.398 -4.546 1.832 585 H ILE 72 H ILE 72 3.342 -12.197 2.184 586 HA ILE 72 HA ILE 72 1.336 -11.928 0.107 587 HB ILE 72 HB ILE 72 2.467 -13.990 -0.295 588 1HG1 ILE 72 1HG1 ILE 72 0.611 -15.656 -0.120 589 2HG1 ILE 72 2HG1 ILE 72 -0.242 -14.540 0.937 590 1HG2 ILE 72 1HG2 ILE 72 1.909 -14.799 2.528 591 2HG2 ILE 72 2HG2 ILE 72 3.477 -14.445 1.803 592 3HG2 ILE 72 3HG2 ILE 72 2.559 -15.856 1.276 593 1HD1 ILE 72 1HD1 ILE 72 0.502 -14.023 -1.936 594 2HD1 ILE 72 2HD1 ILE 72 -0.380 -12.917 -0.880 595 3HD1 ILE 72 3HD1 ILE 72 -1.097 -14.459 -1.339 596 HA PRO 73 HA PRO 73 -0.998 -11.367 3.850 597 1HB PRO 73 1HB PRO 73 -2.307 -9.101 2.808 598 2HB PRO 73 2HB PRO 73 -0.956 -9.104 3.948 599 1HG PRO 73 1HG PRO 73 -0.882 -8.155 1.290 600 2HG PRO 73 2HG PRO 73 0.508 -8.440 2.346 601 1HD PRO 73 1HD PRO 73 -0.627 -10.162 0.196 602 2HD PRO 73 2HD PRO 73 1.060 -9.978 0.736 603 H TYR 74 H TYR 74 -2.777 -12.646 3.936 604 HA TYR 74 HA TYR 74 -4.274 -12.782 1.488 605 1HB TYR 74 1HB TYR 74 -3.419 -14.991 2.338 606 2HB TYR 74 2HB TYR 74 -4.481 -14.757 3.741 607 HD1 TYR 74 HD1 TYR 74 -6.680 -15.563 3.659 608 HD2 TYR 74 HD2 TYR 74 -4.618 -14.768 0.026 609 HE1 TYR 74 HE1 TYR 74 -8.616 -16.379 2.377 610 HE2 TYR 74 HE2 TYR 74 -6.537 -15.586 -1.254 611 HH TYR 74 HH TYR 74 -8.421 -17.066 -0.928 612 H THR 75 H THR 75 -5.398 -11.018 1.783 613 HA THR 75 HA THR 75 -7.145 -11.070 4.058 614 HB THR 75 HB THR 75 -7.230 -8.559 3.728 615 HG1 THR 75 HG1 THR 75 -4.847 -8.303 2.602 616 1HG2 THR 75 1HG2 THR 75 -5.071 -8.136 4.846 617 2HG2 THR 75 2HG2 THR 75 -4.530 -9.753 4.398 618 3HG2 THR 75 3HG2 THR 75 -5.874 -9.555 5.521 619 H LYS 76 H LYS 76 -9.292 -10.307 3.558 620 HA LYS 76 HA LYS 76 -9.892 -10.204 0.696 621 1HB LYS 76 1HB LYS 76 -11.606 -11.461 2.853 622 2HB LYS 76 2HB LYS 76 -12.177 -11.124 1.229 623 1HG LYS 76 1HG LYS 76 -10.426 -12.644 0.351 624 2HG LYS 76 2HG LYS 76 -9.987 -13.035 2.014 625 1HD LYS 76 1HD LYS 76 -12.230 -13.891 2.429 626 2HD LYS 76 2HD LYS 76 -12.721 -13.444 0.795 627 1HE LYS 76 1HE LYS 76 -11.073 -14.996 -0.126 628 2HE LYS 76 2HE LYS 76 -10.572 -15.436 1.502 629 1HZ LYS 76 1HZ LYS 76 -12.805 -16.314 1.892 630 2HZ LYS 76 2HZ LYS 76 -12.074 -17.059 0.582 631 3HZ LYS 76 3HZ LYS 76 -13.258 -15.905 0.319 632 HA PRO 77 HA PRO 77 -11.565 -6.359 2.377 633 1HB PRO 77 1HB PRO 77 -10.156 -4.809 0.490 634 2HB PRO 77 2HB PRO 77 -9.687 -5.065 2.170 635 1HG PRO 77 1HG PRO 77 -8.284 -5.972 -0.095 636 2HG PRO 77 2HG PRO 77 -8.019 -6.490 1.576 637 1HD PRO 77 1HD PRO 77 -9.570 -7.815 -0.600 638 2HD PRO 77 2HD PRO 77 -8.602 -8.538 0.707 639 H CYS 78 H CYS 78 -12.535 -4.460 0.856 640 HA CYS 78 HA CYS 78 -13.918 -5.900 -1.257 641 1HB CYS 78 1HB CYS 78 -15.287 -4.733 0.458 642 2HB CYS 78 2HB CYS 78 -14.580 -3.206 -0.034 643 HG CYS 78 HG CYS 78 -16.114 -2.739 -2.048 644 H TYR 79 H TYR 79 -11.314 -3.917 -0.870 645 HA TYR 79 HA TYR 79 -11.561 -2.807 -3.560 646 1HB TYR 79 1HB TYR 79 -10.922 -1.167 -1.796 647 2HB TYR 79 2HB TYR 79 -9.530 -2.153 -1.380 648 HD1 TYR 79 HD1 TYR 79 -11.010 -0.213 -4.210 649 HD2 TYR 79 HD2 TYR 79 -7.454 -1.709 -2.412 650 HE1 TYR 79 HE1 TYR 79 -9.658 1.085 -5.807 651 HE2 TYR 79 HE2 TYR 79 -6.095 -0.415 -4.006 652 HH TYR 79 HH TYR 79 -6.360 0.550 -6.261 653 H GLY 80 H GLY 80 -8.573 -3.770 -1.837 654 1HA GLY 80 1HA GLY 80 -8.281 -6.182 -3.211 655 2HA GLY 80 2HA GLY 80 -7.399 -4.889 -4.015 656 H THR 81 H THR 81 -6.074 -6.940 -3.013 657 HA THR 81 HA THR 81 -4.935 -6.120 -0.476 658 HB THR 81 HB THR 81 -4.472 -8.602 -2.130 659 HG1 THR 81 HG1 THR 81 -5.952 -8.511 0.295 660 1HG2 THR 81 1HG2 THR 81 -3.796 -7.983 0.754 661 2HG2 THR 81 2HG2 THR 81 -2.642 -8.104 -0.574 662 3HG2 THR 81 3HG2 THR 81 -3.531 -9.533 -0.043 663 H ALA 82 H ALA 82 -2.756 -5.777 -0.306 664 HA ALA 82 HA ALA 82 -1.539 -4.815 -2.766 665 1HB ALA 82 1HB ALA 82 -1.195 -3.965 0.095 666 2HB ALA 82 2HB ALA 82 -2.105 -3.110 -1.149 667 3HB ALA 82 3HB ALA 82 -0.354 -3.281 -1.292 668 H VAL 83 H VAL 83 0.236 -5.907 -3.382 669 HA VAL 83 HA VAL 83 1.965 -7.161 -1.360 670 HB VAL 83 HB VAL 83 1.593 -7.943 -4.283 671 1HG1 VAL 83 1HG1 VAL 83 2.914 -9.922 -3.682 672 2HG1 VAL 83 2HG1 VAL 83 3.050 -9.323 -2.032 673 3HG1 VAL 83 3HG1 VAL 83 3.804 -8.433 -3.353 674 1HG2 VAL 83 1HG2 VAL 83 -0.441 -8.521 -3.068 675 2HG2 VAL 83 2HG2 VAL 83 0.511 -9.351 -1.839 676 3HG2 VAL 83 3HG2 VAL 83 0.457 -9.982 -3.484 677 H VAL 84 H VAL 84 3.979 -6.214 -1.376 678 HA VAL 84 HA VAL 84 4.616 -4.594 -3.715 679 HB VAL 84 HB VAL 84 5.406 -2.700 -2.360 680 1HG1 VAL 84 1HG1 VAL 84 3.449 -1.918 -1.254 681 2HG1 VAL 84 2HG1 VAL 84 2.734 -3.527 -1.376 682 3HG1 VAL 84 3HG1 VAL 84 3.122 -2.619 -2.838 683 1HG2 VAL 84 1HG2 VAL 84 6.379 -3.961 -0.473 684 2HG2 VAL 84 2HG2 VAL 84 4.760 -4.352 0.099 685 3HG2 VAL 84 3HG2 VAL 84 5.310 -2.676 0.092 686 H GLU 85 H GLU 85 6.797 -4.587 -4.271 687 HA GLU 85 HA GLU 85 8.532 -6.232 -2.578 688 1HB GLU 85 1HB GLU 85 7.681 -7.508 -4.579 689 2HB GLU 85 2HB GLU 85 8.491 -6.307 -5.592 690 1HG GLU 85 1HG GLU 85 10.616 -6.915 -4.412 691 2HG GLU 85 2HG GLU 85 9.732 -8.254 -3.684 692 H LEU 86 H LEU 86 10.083 -4.891 -1.958 693 HA LEU 86 HA LEU 86 10.764 -2.670 -3.701 694 1HB LEU 86 1HB LEU 86 10.282 -2.336 -1.281 695 2HB LEU 86 2HB LEU 86 11.673 -3.333 -0.900 696 HG LEU 86 HG LEU 86 13.040 -1.631 -2.190 697 1HD1 LEU 86 1HD1 LEU 86 10.558 0.017 -1.856 698 2HD1 LEU 86 2HD1 LEU 86 11.299 -0.493 -3.374 699 3HD1 LEU 86 3HD1 LEU 86 12.144 0.631 -2.316 700 1HD2 LEU 86 1HD2 LEU 86 11.676 -0.805 0.363 701 2HD2 LEU 86 2HD2 LEU 86 13.188 -0.141 -0.258 702 3HD2 LEU 86 3HD2 LEU 86 13.103 -1.834 0.227 703 HA PRO 87 HA PRO 87 14.326 -5.202 -4.833 704 1HB PRO 87 1HB PRO 87 15.652 -3.439 -6.379 705 2HB PRO 87 2HB PRO 87 14.156 -4.211 -6.917 706 1HG PRO 87 1HG PRO 87 14.581 -1.474 -5.802 707 2HG PRO 87 2HG PRO 87 13.541 -1.991 -7.142 708 1HD PRO 87 1HD PRO 87 12.658 -1.481 -4.596 709 2HD PRO 87 2HD PRO 87 11.831 -2.567 -5.731 710 H VAL 88 H VAL 88 14.369 -2.481 -2.920 711 HA VAL 88 HA VAL 88 17.255 -2.553 -2.397 712 HB VAL 88 HB VAL 88 15.249 -0.568 -1.336 713 1HG1 VAL 88 1HG1 VAL 88 17.175 0.920 -1.039 714 2HG1 VAL 88 2HG1 VAL 88 18.236 -0.353 -1.642 715 3HG1 VAL 88 3HG1 VAL 88 17.344 -0.588 -0.139 716 1HG2 VAL 88 1HG2 VAL 88 16.856 -0.293 -3.875 717 2HG2 VAL 88 2HG2 VAL 88 15.927 1.000 -3.119 718 3HG2 VAL 88 3HG2 VAL 88 15.102 -0.426 -3.751 719 H ASP 89 H ASP 89 17.846 -2.642 -0.168 720 HA ASP 89 HA ASP 89 16.591 -4.621 1.340 721 1HB ASP 89 1HB ASP 89 18.624 -2.530 2.132 722 2HB ASP 89 2HB ASP 89 18.149 -3.849 3.195 723 HA PRO 90 HA PRO 90 13.362 -2.765 3.694 724 1HB PRO 90 1HB PRO 90 13.924 -3.633 6.283 725 2HB PRO 90 2HB PRO 90 13.058 -4.566 5.064 726 1HG PRO 90 1HG PRO 90 15.944 -4.648 5.822 727 2HG PRO 90 2HG PRO 90 14.846 -5.988 5.436 728 1HD PRO 90 1HD PRO 90 16.624 -5.143 3.653 729 2HD PRO 90 2HD PRO 90 14.988 -5.606 3.147 730 H GLU 91 H GLU 91 16.552 -1.917 4.317 731 HA GLU 91 HA GLU 91 16.411 -0.129 6.500 732 1HB GLU 91 1HB GLU 91 18.490 0.821 5.547 733 2HB GLU 91 2HB GLU 91 18.533 -0.934 5.653 734 1HG GLU 91 1HG GLU 91 17.956 -1.069 3.271 735 2HG GLU 91 2HG GLU 91 17.984 0.684 3.178 736 H GLU 92 H GLU 92 15.396 0.083 3.223 737 HA GLU 92 HA GLU 92 15.312 2.864 2.781 738 1HB GLU 92 1HB GLU 92 14.976 1.051 1.078 739 2HB GLU 92 2HB GLU 92 13.404 0.741 1.789 740 1HG GLU 92 1HG GLU 92 12.962 2.043 -0.100 741 2HG GLU 92 2HG GLU 92 12.861 3.165 1.254 742 H ILE 93 H ILE 93 13.287 0.689 4.597 743 HA ILE 93 HA ILE 93 10.923 2.184 4.756 744 HB ILE 93 HB ILE 93 12.085 0.310 6.835 745 1HG1 ILE 93 1HG1 ILE 93 10.019 -0.247 4.695 746 2HG1 ILE 93 2HG1 ILE 93 11.716 -0.714 4.596 747 1HG2 ILE 93 1HG2 ILE 93 9.250 1.315 6.514 748 2HG2 ILE 93 2HG2 ILE 93 10.360 1.738 7.816 749 3HG2 ILE 93 3HG2 ILE 93 9.772 0.083 7.663 750 1HD1 ILE 93 1HD1 ILE 93 10.262 -2.575 5.312 751 2HD1 ILE 93 2HD1 ILE 93 9.793 -1.617 6.715 752 3HD1 ILE 93 3HD1 ILE 93 11.463 -2.138 6.527 753 H GLU 94 H GLU 94 13.892 2.339 6.645 754 HA GLU 94 HA GLU 94 12.988 3.977 8.745 755 1HB GLU 94 1HB GLU 94 15.726 4.008 7.491 756 2HB GLU 94 2HB GLU 94 15.308 4.484 9.129 757 1HG GLU 94 1HG GLU 94 14.696 2.176 9.640 758 2HG GLU 94 2HG GLU 94 15.127 1.709 7.997 759 H ARG 95 H ARG 95 14.412 4.746 5.646 760 HA ARG 95 HA ARG 95 14.432 7.570 5.822 761 1HB ARG 95 1HB ARG 95 15.723 6.273 4.224 762 2HB ARG 95 2HB ARG 95 14.256 5.628 3.527 763 1HG ARG 95 1HG ARG 95 13.690 7.955 2.792 764 2HG ARG 95 2HG ARG 95 15.313 8.432 3.331 765 1HD ARG 95 1HD ARG 95 16.296 6.734 1.899 766 2HD ARG 95 2HD ARG 95 14.694 6.246 1.384 767 HE ARG 95 HE ARG 95 15.292 8.996 0.850 768 1HH1 ARG 95 1HH1 ARG 95 15.427 5.645 -0.343 769 2HH1 ARG 95 2HH1 ARG 95 15.708 6.090 -1.959 770 1HH2 ARG 95 1HH2 ARG 95 15.686 9.584 -1.399 771 2HH2 ARG 95 2HH2 ARG 95 15.833 8.344 -2.566 772 H ILE 96 H ILE 96 12.251 5.215 4.425 773 HA ILE 96 HA ILE 96 10.334 6.979 3.406 774 HB ILE 96 HB ILE 96 10.483 4.069 3.953 775 1HG1 ILE 96 1HG1 ILE 96 11.746 4.839 2.072 776 2HG1 ILE 96 2HG1 ILE 96 10.416 3.842 1.496 777 1HG2 ILE 96 1HG2 ILE 96 8.366 3.622 2.803 778 2HG2 ILE 96 2HG2 ILE 96 8.047 5.351 2.747 779 3HG2 ILE 96 3HG2 ILE 96 8.132 4.522 4.303 780 1HD1 ILE 96 1HD1 ILE 96 10.726 5.748 0.053 781 2HD1 ILE 96 2HD1 ILE 96 10.589 6.857 1.408 782 3HD1 ILE 96 3HD1 ILE 96 9.189 5.907 0.901 783 H LEU 97 H LEU 97 10.720 5.612 6.585 784 HA LEU 97 HA LEU 97 8.073 6.076 7.456 785 1HB LEU 97 1HB LEU 97 9.643 4.493 8.534 786 2HB LEU 97 2HB LEU 97 10.604 5.846 9.084 787 HG LEU 97 HG LEU 97 8.759 6.586 10.527 788 1HD1 LEU 97 1HD1 LEU 97 6.799 5.146 10.851 789 2HD1 LEU 97 2HD1 LEU 97 7.337 4.119 9.522 790 3HD1 LEU 97 3HD1 LEU 97 6.869 5.791 9.214 791 1HD2 LEU 97 1HD2 LEU 97 9.468 3.676 10.857 792 2HD2 LEU 97 2HD2 LEU 97 8.853 4.741 12.122 793 3HD2 LEU 97 3HD2 LEU 97 10.435 5.045 11.402 794 H GLU 98 H GLU 98 10.934 8.051 7.303 795 HA GLU 98 HA GLU 98 9.851 10.211 8.886 796 1HB GLU 98 1HB GLU 98 12.311 9.865 8.513 797 2HB GLU 98 2HB GLU 98 12.035 10.234 6.817 798 1HG GLU 98 1HG GLU 98 11.331 12.478 7.336 799 2HG GLU 98 2HG GLU 98 11.464 12.159 9.061 800 H VAL 99 H VAL 99 10.171 9.324 5.587 801 HA VAL 99 HA VAL 99 8.998 11.693 4.476 802 HB VAL 99 HB VAL 99 9.817 9.036 3.272 803 1HG1 VAL 99 1HG1 VAL 99 9.897 10.226 1.083 804 2HG1 VAL 99 2HG1 VAL 99 9.302 11.690 1.863 805 3HG1 VAL 99 3HG1 VAL 99 8.263 10.271 1.752 806 1HG2 VAL 99 1HG2 VAL 99 11.662 10.185 4.289 807 2HG2 VAL 99 2HG2 VAL 99 11.293 11.648 3.368 808 3HG2 VAL 99 3HG2 VAL 99 11.823 10.186 2.534 809 H ALA 100 H ALA 100 7.640 9.365 6.207 810 HA ALA 100 HA ALA 100 5.519 8.171 4.847 811 1HB ALA 100 1HB ALA 100 5.528 9.097 7.708 812 2HB ALA 100 2HB ALA 100 6.186 7.568 7.127 813 3HB ALA 100 3HB ALA 100 4.455 7.890 7.001 814 H GLU 101 H GLU 101 5.676 11.251 6.447 815 HA GLU 101 HA GLU 101 3.208 11.928 5.122 816 1HB GLU 101 1HB GLU 101 3.989 12.581 7.958 817 2HB GLU 101 2HB GLU 101 2.644 13.328 7.120 818 1HG GLU 101 1HG GLU 101 1.561 11.149 6.920 819 2HG GLU 101 2HG GLU 101 2.930 10.397 7.743 820 HA PRO 102 HA PRO 102 6.336 15.100 4.112 821 1HB PRO 102 1HB PRO 102 4.716 15.343 1.663 822 2HB PRO 102 2HB PRO 102 6.430 14.929 1.823 823 1HG PRO 102 1HG PRO 102 4.668 13.042 1.070 824 2HG PRO 102 2HG PRO 102 5.989 12.673 2.204 825 1HD PRO 102 1HD PRO 102 3.144 13.355 2.835 826 2HD PRO 102 2HD PRO 102 4.112 11.946 3.349
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