NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461072 | 2dl7 | 11220 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -11.456 -23.633 3.572 2 HA2 GLY 1 1HA GLY 1 -10.232 -24.090 1.637 3 HA3 GLY 1 2HA GLY 1 -11.739 -24.214 0.741 4 H SER 2 H SER 2 -12.341 -22.555 -0.512 5 HA SER 2 HA SER 2 -11.997 -20.661 -1.764 6 HB2 SER 2 1HB SER 2 -12.205 -19.666 1.076 7 HB3 SER 2 2HB SER 2 -12.128 -18.562 -0.298 8 HG SER 2 HG SER 2 -14.229 -18.868 -0.216 9 H SER 3 H SER 3 -9.623 -21.923 -1.613 10 HA SER 3 HA SER 3 -7.607 -20.022 -0.711 11 HB2 SER 3 1HB SER 3 -7.372 -22.498 -0.314 12 HB3 SER 3 2HB SER 3 -7.174 -22.697 -2.055 13 HG SER 3 HG SER 3 -5.256 -22.314 -0.467 14 H GLY 4 H GLY 4 -6.383 -18.773 -2.020 15 HA2 GLY 4 1HA GLY 4 -6.517 -19.212 -4.919 16 HA3 GLY 4 2HA GLY 4 -7.011 -17.649 -4.285 17 H SER 5 H SER 5 -5.412 -16.378 -3.133 18 HA SER 5 HA SER 5 -2.690 -16.937 -4.111 19 HB2 SER 5 1HB SER 5 -3.879 -14.246 -3.402 20 HB3 SER 5 2HB SER 5 -2.304 -14.542 -4.137 21 HG SER 5 HG SER 5 -4.791 -15.244 -5.311 22 H SER 6 H SER 6 -1.523 -17.795 -2.517 23 HA SER 6 HA SER 6 -1.863 -16.752 0.210 24 HB2 SER 6 1HB SER 6 -0.691 -19.346 -0.810 25 HB3 SER 6 2HB SER 6 -0.597 -18.834 0.875 26 HG SER 6 HG SER 6 -2.453 -20.238 0.077 27 H GLY 7 H GLY 7 -0.602 -14.872 -0.102 28 HA2 GLY 7 1HA GLY 7 2.091 -15.090 0.608 29 HA3 GLY 7 2HA GLY 7 2.025 -14.877 -1.135 30 H VAL 8 H VAL 8 1.353 -13.408 1.969 31 HA VAL 8 HA VAL 8 0.169 -11.031 1.234 32 HB VAL 8 HB VAL 8 1.334 -10.019 3.220 33 HG11 VAL 8 1HG1 VAL 8 0.295 -12.599 4.203 34 HG12 VAL 8 2HG1 VAL 8 -0.189 -10.951 4.605 35 HG13 VAL 8 3HG1 VAL 8 -0.763 -11.701 3.116 36 HG21 VAL 8 1HG2 VAL 8 2.388 -12.750 3.826 37 HG22 VAL 8 2HG2 VAL 8 3.344 -11.630 2.854 38 HG23 VAL 8 3HG2 VAL 8 2.868 -11.190 4.495 39 H CYS 9 H CYS 9 1.118 -8.852 1.098 40 HA CYS 9 HA CYS 9 3.823 -8.784 -0.024 41 HB2 CYS 9 1HB CYS 9 1.289 -8.066 -1.412 42 HB3 CYS 9 2HB CYS 9 2.687 -7.036 -1.691 43 HG CYS 9 HG CYS 9 3.868 -9.981 -2.044 44 H PHE 10 H PHE 10 4.865 -6.762 0.114 45 HA PHE 10 HA PHE 10 3.496 -4.752 1.770 46 HB2 PHE 10 1HB PHE 10 6.265 -5.892 2.138 47 HB3 PHE 10 2HB PHE 10 5.768 -4.365 2.859 48 HD1 PHE 10 2HD PHE 10 4.602 -7.899 2.602 49 HD2 PHE 10 1HD PHE 10 4.952 -4.401 5.002 50 HE1 PHE 10 2HE PHE 10 3.647 -9.119 4.514 51 HE2 PHE 10 1HE PHE 10 3.998 -5.616 6.918 52 HZ PHE 10 HZ PHE 10 3.343 -7.978 6.675 53 H VAL 11 H VAL 11 4.519 -2.597 1.672 54 HA VAL 11 HA VAL 11 6.253 -2.057 -0.584 55 HB VAL 11 HB VAL 11 4.744 -0.473 -1.667 56 HG11 VAL 11 1HG1 VAL 11 4.791 -2.692 -2.575 57 HG12 VAL 11 2HG1 VAL 11 3.633 -3.260 -1.370 58 HG13 VAL 11 3HG1 VAL 11 3.126 -2.112 -2.611 59 HG21 VAL 11 1HG2 VAL 11 3.013 -1.170 0.630 60 HG22 VAL 11 2HG2 VAL 11 3.206 0.363 -0.222 61 HG23 VAL 11 3HG2 VAL 11 2.216 -0.917 -0.924 62 H LYS 12 H LYS 12 7.283 -0.077 -0.455 63 HA LYS 12 HA LYS 12 6.898 1.351 2.083 64 HB2 LYS 12 1HB LYS 12 9.150 0.313 1.446 65 HB3 LYS 12 2HB LYS 12 9.278 1.598 0.252 66 HG2 LYS 12 1HG LYS 12 9.203 3.274 1.981 67 HG3 LYS 12 2HG LYS 12 8.931 2.037 3.211 68 HD2 LYS 12 1HD LYS 12 11.228 2.568 3.333 69 HD3 LYS 12 2HD LYS 12 11.139 1.026 2.480 70 HE2 LYS 12 1HE LYS 12 11.242 2.315 0.333 71 HE3 LYS 12 2HE LYS 12 11.560 3.762 1.289 72 HZ1 LYS 12 1HZ LYS 12 13.690 3.203 1.161 73 HZ2 LYS 12 2HZ LYS 12 13.344 1.672 0.530 74 HZ3 LYS 12 3HZ LYS 12 13.358 1.912 2.204 75 H ALA 13 H ALA 13 6.093 3.345 2.090 76 HA ALA 13 HA ALA 13 5.216 4.608 -0.288 77 HB1 ALA 13 1HB ALA 13 3.901 5.107 1.545 78 HB2 ALA 13 2HB ALA 13 5.290 5.394 2.594 79 HB3 ALA 13 3HB ALA 13 4.856 6.579 1.362 80 H LEU 14 H LEU 14 6.823 5.148 -1.694 81 HA LEU 14 HA LEU 14 9.342 6.130 -1.122 82 HB2 LEU 14 1HB LEU 14 7.603 6.793 -3.493 83 HB3 LEU 14 2HB LEU 14 9.345 7.041 -3.402 84 HG LEU 14 HG LEU 14 8.211 4.296 -3.046 85 HD11 LEU 14 1HD1 LEU 14 8.545 3.989 -5.512 86 HD12 LEU 14 2HD1 LEU 14 8.621 5.745 -5.652 87 HD13 LEU 14 3HD1 LEU 14 7.150 4.971 -5.062 88 HD21 LEU 14 1HD2 LEU 14 10.342 3.656 -3.190 89 HD22 LEU 14 2HD2 LEU 14 10.752 5.357 -2.966 90 HD23 LEU 14 3HD2 LEU 14 10.643 4.682 -4.593 91 H TYR 15 H TYR 15 6.317 7.908 -1.566 92 HA TYR 15 HA TYR 15 7.620 10.257 -0.366 93 HB2 TYR 15 1HB TYR 15 5.489 10.488 -2.483 94 HB3 TYR 15 2HB TYR 15 6.563 11.743 -1.875 95 HD1 TYR 15 1HD TYR 15 6.380 8.718 -3.983 96 HD2 TYR 15 2HD TYR 15 8.742 12.049 -2.791 97 HE1 TYR 15 1HE TYR 15 7.945 8.259 -5.825 98 HE2 TYR 15 2HE TYR 15 10.313 11.601 -4.630 99 HH TYR 15 HH TYR 15 9.749 10.009 -7.185 100 H ASP 16 H ASP 16 6.555 11.159 1.289 101 HA ASP 16 HA ASP 16 4.543 9.923 2.669 102 HB2 ASP 16 1HB ASP 16 4.064 12.330 3.566 103 HB3 ASP 16 2HB ASP 16 5.629 11.582 3.875 104 H TYR 17 H TYR 17 2.431 9.632 2.397 105 HA TYR 17 HA TYR 17 1.061 11.243 0.351 106 HB2 TYR 17 1HB TYR 17 1.187 8.810 -0.096 107 HB3 TYR 17 2HB TYR 17 0.324 8.505 1.408 108 HD1 TYR 17 2HD TYR 17 -0.201 10.898 -1.420 109 HD2 TYR 17 1HD TYR 17 -1.819 7.778 0.977 110 HE1 TYR 17 2HE TYR 17 -2.341 11.099 -2.614 111 HE2 TYR 17 1HE TYR 17 -3.964 7.969 -0.211 112 HH TYR 17 HH TYR 17 -4.945 8.815 -2.114 113 H GLU 18 H GLU 18 -0.599 12.504 0.911 114 HA GLU 18 HA GLU 18 -1.536 12.378 3.692 115 HB2 GLU 18 1HB GLU 18 -1.343 14.596 1.683 116 HB3 GLU 18 2HB GLU 18 -2.475 14.718 3.022 117 HG2 GLU 18 1HG GLU 18 0.502 14.340 3.253 118 HG3 GLU 18 2HG GLU 18 -0.382 15.840 3.528 119 H GLY 19 H GLY 19 -3.109 10.787 3.494 120 HA2 GLY 19 1HA GLY 19 -4.995 10.455 1.517 121 HA3 GLY 19 2HA GLY 19 -5.271 10.060 3.207 122 H GLN 20 H GLN 20 -6.739 11.505 0.816 123 HA GLN 20 HA GLN 20 -7.361 14.097 1.736 124 HB2 GLN 20 1HB GLN 20 -8.881 12.208 -0.064 125 HB3 GLN 20 2HB GLN 20 -9.359 13.875 0.226 126 HG2 GLN 20 1HG GLN 20 -6.707 13.043 -0.927 127 HG3 GLN 20 2HG GLN 20 -8.106 13.534 -1.881 128 HE21 GLN 20 1HE2 GLN 20 -5.701 14.841 -2.090 129 HE22 GLN 20 2HE2 GLN 20 -5.852 16.434 -1.439 130 H THR 21 H THR 21 -9.010 10.983 2.148 131 HA THR 21 HA THR 21 -10.476 12.161 4.414 132 HB THR 21 HB THR 21 -12.449 10.865 3.872 133 HG1 THR 21 1HG THR 21 -11.336 10.077 1.405 134 HG21 THR 21 1HG2 THR 21 -12.047 13.115 2.783 135 HG22 THR 21 2HG2 THR 21 -13.212 12.069 1.973 136 HG23 THR 21 3HG2 THR 21 -11.577 12.231 1.332 137 H ASP 22 H ASP 22 -11.525 10.276 5.736 138 HA ASP 22 HA ASP 22 -9.488 8.817 6.933 139 HB2 ASP 22 1HB ASP 22 -12.462 8.264 6.922 140 HB3 ASP 22 2HB ASP 22 -11.307 7.516 8.021 141 H ASP 23 H ASP 23 -11.907 7.736 4.566 142 HA ASP 23 HA ASP 23 -11.402 5.076 4.386 143 HB2 ASP 23 1HB ASP 23 -13.084 5.985 2.982 144 HB3 ASP 23 2HB ASP 23 -11.945 7.072 2.193 145 H GLU 24 H GLU 24 -9.433 7.673 3.029 146 HA GLU 24 HA GLU 24 -7.607 5.910 1.709 147 HB2 GLU 24 1HB GLU 24 -7.434 8.842 2.414 148 HB3 GLU 24 2HB GLU 24 -6.205 7.988 1.493 149 HG2 GLU 24 1HG GLU 24 -7.489 9.003 -0.139 150 HG3 GLU 24 2HG GLU 24 -8.120 7.358 -0.094 151 H LEU 25 H LEU 25 -5.141 6.369 2.255 152 HA LEU 25 HA LEU 25 -4.805 5.964 5.154 153 HB2 LEU 25 1HB LEU 25 -4.469 3.999 3.424 154 HB3 LEU 25 2HB LEU 25 -2.897 4.766 3.209 155 HG LEU 25 HG LEU 25 -2.665 4.550 5.758 156 HD11 LEU 25 1HD1 LEU 25 -4.948 4.030 6.308 157 HD12 LEU 25 2HD1 LEU 25 -3.929 2.648 6.709 158 HD13 LEU 25 3HD1 LEU 25 -4.921 2.618 5.252 159 HD21 LEU 25 1HD2 LEU 25 -2.059 2.834 3.608 160 HD22 LEU 25 2HD2 LEU 25 -2.583 1.811 4.946 161 HD23 LEU 25 3HD2 LEU 25 -1.251 2.945 5.171 162 H SER 26 H SER 26 -3.327 7.190 6.157 163 HA SER 26 HA SER 26 -1.644 8.927 4.477 164 HB2 SER 26 1HB SER 26 -1.690 10.550 6.285 165 HB3 SER 26 2HB SER 26 -3.343 10.091 5.876 166 HG SER 26 HG SER 26 -3.050 10.082 8.121 167 H PHE 27 H PHE 27 0.418 8.358 4.431 168 HA PHE 27 HA PHE 27 1.682 7.421 6.911 169 HB2 PHE 27 1HB PHE 27 3.101 5.985 5.164 170 HB3 PHE 27 2HB PHE 27 1.629 5.367 5.906 171 HD1 PHE 27 2HD PHE 27 2.874 7.135 2.886 172 HD2 PHE 27 1HD PHE 27 -0.137 4.652 4.584 173 HE1 PHE 27 2HE PHE 27 1.895 6.801 0.653 174 HE2 PHE 27 1HE PHE 27 -1.120 4.314 2.354 175 HZ PHE 27 HZ PHE 27 -0.105 5.390 0.385 176 HA PRO 28 HA PRO 28 4.761 10.423 6.000 177 HB2 PRO 28 1HB PRO 28 6.860 9.355 7.350 178 HB3 PRO 28 2HB PRO 28 5.489 10.123 8.159 179 HG2 PRO 28 1HG PRO 28 6.036 7.215 7.709 180 HG3 PRO 28 2HG PRO 28 5.430 8.027 9.164 181 HD2 PRO 28 1HD PRO 28 3.803 6.710 7.446 182 HD3 PRO 28 2HD PRO 28 3.274 8.140 8.355 183 H GLU 29 H GLU 29 6.968 10.650 5.082 184 HA GLU 29 HA GLU 29 7.234 9.166 2.701 185 HB2 GLU 29 1HB GLU 29 8.054 11.426 2.803 186 HB3 GLU 29 2HB GLU 29 9.151 11.021 4.116 187 HG2 GLU 29 1HG GLU 29 10.317 9.465 2.532 188 HG3 GLU 29 2HG GLU 29 9.324 10.149 1.246 189 H GLY 30 H GLY 30 7.588 7.018 2.855 190 HA2 GLY 30 1HA GLY 30 9.276 5.321 2.844 191 HA3 GLY 30 2HA GLY 30 10.113 6.194 4.118 192 H ALA 31 H ALA 31 6.730 5.136 3.822 193 HA ALA 31 HA ALA 31 7.050 3.751 6.402 194 HB1 ALA 31 1HB ALA 31 5.077 5.586 5.446 195 HB2 ALA 31 2HB ALA 31 4.311 4.040 5.816 196 HB3 ALA 31 3HB ALA 31 5.252 4.876 7.051 197 H ILE 32 H ILE 32 6.472 1.639 6.613 198 HA ILE 32 HA ILE 32 6.083 0.149 4.151 199 HB ILE 32 HB ILE 32 6.432 -0.861 6.976 200 HG12 ILE 32 1HG1 ILE 32 8.385 0.399 6.108 201 HG13 ILE 32 2HG1 ILE 32 8.738 -1.308 6.354 202 HG21 ILE 32 1HG2 ILE 32 6.900 -3.015 5.939 203 HG22 ILE 32 2HG2 ILE 32 5.284 -2.453 5.518 204 HG23 ILE 32 3HG2 ILE 32 6.594 -2.325 4.345 205 HD11 ILE 32 1HD1 ILE 32 9.165 0.206 4.053 206 HD12 ILE 32 2HD1 ILE 32 9.336 -1.540 4.239 207 HD13 ILE 32 3HD1 ILE 32 7.810 -0.859 3.677 208 H ILE 33 H ILE 33 4.277 -0.939 3.570 209 HA ILE 33 HA ILE 33 1.992 -0.875 5.428 210 HB ILE 33 HB ILE 33 1.857 -0.477 2.437 211 HG12 ILE 33 1HG1 ILE 33 0.991 1.584 4.415 212 HG13 ILE 33 2HG1 ILE 33 2.713 1.403 4.102 213 HG21 ILE 33 1HG2 ILE 33 -0.190 -1.360 2.795 214 HG22 ILE 33 2HG2 ILE 33 -0.160 -1.003 4.521 215 HG23 ILE 33 3HG2 ILE 33 -0.555 0.269 3.365 216 HD11 ILE 33 1HD1 ILE 33 0.577 2.481 2.390 217 HD12 ILE 33 2HD1 ILE 33 2.278 2.931 2.513 218 HD13 ILE 33 3HD1 ILE 33 1.807 1.508 1.584 219 H ARG 34 H ARG 34 0.581 -2.628 5.377 220 HA ARG 34 HA ARG 34 1.702 -5.036 4.136 221 HB2 ARG 34 1HB ARG 34 1.389 -5.243 6.508 222 HB3 ARG 34 2HB ARG 34 -0.264 -4.655 6.394 223 HG2 ARG 34 1HG ARG 34 -1.050 -6.644 5.512 224 HG3 ARG 34 2HG ARG 34 0.550 -7.148 4.963 225 HD2 ARG 34 1HD ARG 34 1.241 -7.686 7.151 226 HD3 ARG 34 2HD ARG 34 -0.122 -6.833 7.874 227 HE ARG 34 HE ARG 34 -1.038 -8.939 6.222 228 HH11 ARG 34 2HH1 ARG 34 0.468 -8.328 9.301 229 HH12 ARG 34 1HH1 ARG 34 -0.158 -9.764 10.039 230 HH21 ARG 34 2HH2 ARG 34 -1.869 -10.833 7.183 231 HH22 ARG 34 1HH2 ARG 34 -1.487 -11.189 8.834 232 H ILE 35 H ILE 35 0.912 -5.264 2.126 233 HA ILE 35 HA ILE 35 -1.552 -4.370 1.180 234 HB ILE 35 HB ILE 35 0.121 -6.675 0.177 235 HG12 ILE 35 1HG1 ILE 35 1.290 -4.510 0.193 236 HG13 ILE 35 2HG1 ILE 35 0.966 -5.049 -1.451 237 HG21 ILE 35 1HG2 ILE 35 -1.733 -7.129 -1.015 238 HG22 ILE 35 2HG2 ILE 35 -2.425 -5.531 -0.743 239 HG23 ILE 35 3HG2 ILE 35 -1.204 -5.760 -1.994 240 HD11 ILE 35 1HD1 ILE 35 -1.171 -3.561 -1.180 241 HD12 ILE 35 2HD1 ILE 35 -0.200 -2.778 0.067 242 HD13 ILE 35 3HD1 ILE 35 0.388 -2.848 -1.594 243 H LEU 36 H LEU 36 -3.575 -5.110 1.312 244 HA LEU 36 HA LEU 36 -3.996 -7.739 2.568 245 HB2 LEU 36 1HB LEU 36 -5.797 -5.323 2.505 246 HB3 LEU 36 2HB LEU 36 -6.196 -6.868 3.252 247 HG LEU 36 HG LEU 36 -3.834 -5.233 4.139 248 HD11 LEU 36 1HD1 LEU 36 -5.084 -3.892 5.444 249 HD12 LEU 36 2HD1 LEU 36 -6.300 -5.133 5.743 250 HD13 LEU 36 3HD1 LEU 36 -6.329 -4.216 4.237 251 HD21 LEU 36 1HD2 LEU 36 -4.926 -7.777 4.822 252 HD22 LEU 36 2HD2 LEU 36 -5.084 -6.696 6.207 253 HD23 LEU 36 3HD2 LEU 36 -3.501 -6.969 5.477 254 H ASN 37 H ASN 37 -5.254 -5.544 0.080 255 HA ASN 37 HA ASN 37 -6.180 -7.895 -1.414 256 HB2 ASN 37 1HB ASN 37 -7.771 -5.392 -0.843 257 HB3 ASN 37 2HB ASN 37 -8.193 -6.529 -2.119 258 HD21 ASN 37 1HD2 ASN 37 -8.756 -5.687 1.009 259 HD22 ASN 37 2HD2 ASN 37 -9.407 -7.176 1.594 260 H LYS 38 H LYS 38 -5.678 -7.865 -3.525 261 HA LYS 38 HA LYS 38 -4.688 -5.334 -4.665 262 HB2 LYS 38 1HB LYS 38 -3.606 -8.131 -4.977 263 HB3 LYS 38 2HB LYS 38 -3.185 -6.827 -6.079 264 HG2 LYS 38 1HG LYS 38 -2.824 -6.391 -3.160 265 HG3 LYS 38 2HG LYS 38 -1.672 -7.417 -4.017 266 HD2 LYS 38 1HD LYS 38 -2.400 -4.716 -5.089 267 HD3 LYS 38 2HD LYS 38 -1.191 -4.880 -3.813 268 HE2 LYS 38 1HE LYS 38 -1.049 -6.456 -6.368 269 HE3 LYS 38 2HE LYS 38 -0.355 -4.841 -6.223 270 HZ1 LYS 38 1HZ LYS 38 0.751 -7.284 -5.417 271 HZ2 LYS 38 2HZ LYS 38 0.491 -6.353 -4.029 272 HZ3 LYS 38 3HZ LYS 38 1.427 -5.737 -5.296 273 H GLU 39 H GLU 39 -7.369 -6.236 -4.831 274 HA GLU 39 HA GLU 39 -7.598 -7.160 -7.610 275 HB2 GLU 39 1HB GLU 39 -9.662 -7.035 -5.405 276 HB3 GLU 39 2HB GLU 39 -9.982 -7.581 -7.045 277 HG2 GLU 39 1HG GLU 39 -8.283 -9.367 -6.712 278 HG3 GLU 39 2HG GLU 39 -8.166 -8.870 -5.025 279 H ASN 40 H ASN 40 -7.252 -5.278 -8.746 280 HA ASN 40 HA ASN 40 -9.425 -3.328 -8.606 281 HB2 ASN 40 1HB ASN 40 -6.530 -2.765 -8.166 282 HB3 ASN 40 2HB ASN 40 -7.468 -1.587 -9.079 283 HD21 ASN 40 1HD2 ASN 40 -8.768 -0.220 -8.021 284 HD22 ASN 40 2HD2 ASN 40 -9.046 -0.245 -6.316 285 H GLN 41 H GLN 41 -10.316 -3.564 -10.556 286 HA GLN 41 HA GLN 41 -8.534 -3.499 -12.901 287 HB2 GLN 41 1HB GLN 41 -9.871 -5.690 -12.304 288 HB3 GLN 41 2HB GLN 41 -11.210 -4.822 -13.043 289 HG2 GLN 41 1HG GLN 41 -10.209 -4.793 -15.132 290 HG3 GLN 41 2HG GLN 41 -8.600 -5.085 -14.474 291 HE21 GLN 41 1HE2 GLN 41 -8.823 -6.667 -16.352 292 HE22 GLN 41 2HE2 GLN 41 -9.381 -8.251 -15.946 293 H ASP 42 H ASP 42 -11.915 -2.958 -11.908 294 HA ASP 42 HA ASP 42 -12.368 -1.105 -14.062 295 HB2 ASP 42 1HB ASP 42 -14.253 -2.394 -13.396 296 HB3 ASP 42 2HB ASP 42 -14.026 -1.979 -11.699 297 H ASP 43 H ASP 43 -12.264 -0.821 -10.511 298 HA ASP 43 HA ASP 43 -12.608 1.884 -10.234 299 HB2 ASP 43 1HB ASP 43 -10.873 -0.030 -8.679 300 HB3 ASP 43 2HB ASP 43 -11.070 1.655 -8.204 301 H ASP 44 H ASP 44 -10.760 3.408 -9.423 302 HA ASP 44 HA ASP 44 -9.241 4.175 -11.610 303 HB2 ASP 44 1HB ASP 44 -9.827 5.533 -9.530 304 HB3 ASP 44 2HB ASP 44 -8.446 4.756 -8.759 305 H GLY 45 H GLY 45 -8.084 2.527 -8.661 306 HA2 GLY 45 1HA GLY 45 -6.593 0.534 -9.492 307 HA3 GLY 45 2HA GLY 45 -5.594 1.865 -10.056 308 H PHE 46 H PHE 46 -7.469 1.771 -7.069 309 HA PHE 46 HA PHE 46 -4.966 2.149 -5.585 310 HB2 PHE 46 1HB PHE 46 -7.837 2.793 -4.911 311 HB3 PHE 46 2HB PHE 46 -6.535 2.890 -3.731 312 HD1 PHE 46 2HD PHE 46 -6.980 3.969 -7.279 313 HD2 PHE 46 1HD PHE 46 -5.882 5.039 -3.309 314 HE1 PHE 46 2HE PHE 46 -6.467 6.252 -8.040 315 HE2 PHE 46 1HE PHE 46 -5.369 7.324 -4.063 316 HZ PHE 46 HZ PHE 46 -5.660 7.933 -6.432 317 H TRP 47 H TRP 47 -4.369 0.830 -3.916 318 HA TRP 47 HA TRP 47 -5.838 -1.700 -3.712 319 HB2 TRP 47 1HB TRP 47 -3.007 -0.978 -2.926 320 HB3 TRP 47 2HB TRP 47 -3.737 -2.561 -2.677 321 HD1 TRP 47 HD TRP 47 -5.219 -2.464 -5.654 322 HE1 TRP 47 1HE TRP 47 -3.753 -3.033 -7.692 323 HE3 TRP 47 3HE TRP 47 -0.613 -1.644 -3.594 324 HZ2 TRP 47 2HZ TRP 47 -1.007 -3.123 -8.340 325 HZ3 TRP 47 3HZ TRP 47 1.383 -1.995 -4.990 326 HH2 TRP 47 HH TRP 47 1.188 -2.720 -7.313 327 H GLU 48 H GLU 48 -5.519 -2.763 -1.442 328 HA GLU 48 HA GLU 48 -6.156 -0.741 0.606 329 HB2 GLU 48 1HB GLU 48 -8.084 -2.196 -0.240 330 HB3 GLU 48 2HB GLU 48 -7.285 -3.534 0.574 331 HG2 GLU 48 1HG GLU 48 -7.572 -2.544 2.696 332 HG3 GLU 48 2HG GLU 48 -8.041 -0.998 1.990 333 H GLY 49 H GLY 49 -4.903 -0.757 2.356 334 HA2 GLY 49 1HA GLY 49 -3.672 -3.247 3.252 335 HA3 GLY 49 2HA GLY 49 -2.576 -1.963 2.764 336 H GLU 50 H GLU 50 -2.936 -3.218 5.387 337 HA GLU 50 HA GLU 50 -4.088 -1.065 6.989 338 HB2 GLU 50 1HB GLU 50 -4.620 -3.436 7.522 339 HB3 GLU 50 2HB GLU 50 -2.922 -3.704 7.888 340 HG2 GLU 50 1HG GLU 50 -3.143 -1.869 9.614 341 HG3 GLU 50 2HG GLU 50 -4.884 -1.977 9.360 342 H PHE 51 H PHE 51 -2.931 0.226 8.357 343 HA PHE 51 HA PHE 51 -0.078 -0.214 8.701 344 HB2 PHE 51 1HB PHE 51 0.127 1.069 6.755 345 HB3 PHE 51 2HB PHE 51 -1.248 2.089 7.169 346 HD1 PHE 51 1HD PHE 51 -0.989 3.693 9.126 347 HD2 PHE 51 2HD PHE 51 2.298 1.732 7.264 348 HE1 PHE 51 1HE PHE 51 0.541 5.378 10.061 349 HE2 PHE 51 2HE PHE 51 3.833 3.412 8.198 350 HZ PHE 51 HZ PHE 51 2.956 5.238 9.598 351 H ASN 52 H ASN 52 0.560 0.359 10.683 352 HA ASN 52 HA ASN 52 0.366 0.997 12.869 353 HB2 ASN 52 1HB ASN 52 1.062 3.106 11.759 354 HB3 ASN 52 2HB ASN 52 -0.634 3.549 11.585 355 HD21 ASN 52 1HD2 ASN 52 0.603 5.388 12.809 356 HD22 ASN 52 2HD2 ASN 52 0.429 5.338 14.528 357 H GLY 53 H GLY 53 -1.836 -0.493 12.036 358 HA2 GLY 53 1HA GLY 53 -3.900 -1.097 12.850 359 HA3 GLY 53 2HA GLY 53 -3.723 0.176 14.049 360 H ARG 54 H ARG 54 -3.698 0.593 10.547 361 HA ARG 54 HA ARG 54 -6.368 1.786 10.657 362 HB2 ARG 54 1HB ARG 54 -3.858 3.178 9.734 363 HB3 ARG 54 2HB ARG 54 -5.462 3.700 9.236 364 HG2 ARG 54 1HG ARG 54 -5.883 3.673 11.847 365 HG3 ARG 54 2HG ARG 54 -4.133 3.901 11.877 366 HD2 ARG 54 1HD ARG 54 -4.520 5.790 10.210 367 HD3 ARG 54 2HD ARG 54 -6.227 5.657 10.629 368 HE ARG 54 HE ARG 54 -4.681 5.898 12.975 369 HH11 ARG 54 2HH1 ARG 54 -5.790 7.757 10.249 370 HH12 ARG 54 1HH1 ARG 54 -5.767 9.265 11.102 371 HH21 ARG 54 2HH2 ARG 54 -4.647 7.877 14.109 372 HH22 ARG 54 1HH2 ARG 54 -5.116 9.332 13.297 373 H ILE 55 H ILE 55 -7.578 1.169 8.988 374 HA ILE 55 HA ILE 55 -6.234 -0.078 6.690 375 HB ILE 55 HB ILE 55 -9.081 -0.397 7.648 376 HG12 ILE 55 1HG1 ILE 55 -6.927 -2.503 7.600 377 HG13 ILE 55 2HG1 ILE 55 -7.150 -1.445 8.989 378 HG21 ILE 55 1HG2 ILE 55 -8.035 -2.334 5.732 379 HG22 ILE 55 2HG2 ILE 55 -9.584 -1.493 5.765 380 HG23 ILE 55 3HG2 ILE 55 -8.164 -0.698 5.085 381 HD11 ILE 55 1HD1 ILE 55 -9.590 -2.250 8.933 382 HD12 ILE 55 2HD1 ILE 55 -8.975 -3.551 7.913 383 HD13 ILE 55 3HD1 ILE 55 -8.349 -3.341 9.548 384 H GLY 56 H GLY 56 -6.151 1.064 4.878 385 HA2 GLY 56 1HA GLY 56 -8.462 2.684 4.100 386 HA3 GLY 56 2HA GLY 56 -6.911 3.497 4.238 387 H VAL 57 H VAL 57 -7.190 4.019 1.975 388 HA VAL 57 HA VAL 57 -6.248 1.827 0.257 389 HB VAL 57 HB VAL 57 -7.644 2.622 -1.591 390 HG11 VAL 57 1HG1 VAL 57 -8.446 1.105 0.556 391 HG12 VAL 57 2HG1 VAL 57 -9.762 2.268 0.378 392 HG13 VAL 57 3HG1 VAL 57 -9.296 1.246 -0.983 393 HG21 VAL 57 1HG2 VAL 57 -8.031 4.880 -1.232 394 HG22 VAL 57 2HG2 VAL 57 -9.600 4.160 -0.871 395 HG23 VAL 57 3HG2 VAL 57 -8.524 4.633 0.444 396 H PHE 58 H PHE 58 -4.743 2.381 -1.266 397 HA PHE 58 HA PHE 58 -3.963 5.216 -1.404 398 HB2 PHE 58 1HB PHE 58 -1.572 4.180 -1.724 399 HB3 PHE 58 2HB PHE 58 -2.229 4.402 -0.105 400 HD1 PHE 58 2HD PHE 58 -3.604 2.331 0.798 401 HD2 PHE 58 1HD PHE 58 -0.638 2.155 -2.250 402 HE1 PHE 58 2HE PHE 58 -3.279 -0.064 1.257 403 HE2 PHE 58 1HE PHE 58 -0.309 -0.241 -1.796 404 HZ PHE 58 HZ PHE 58 -1.629 -1.353 -0.039 405 HA PRO 59 HA PRO 59 -3.947 4.848 -5.775 406 HB2 PRO 59 1HB PRO 59 -1.845 6.419 -6.472 407 HB3 PRO 59 2HB PRO 59 -3.369 7.070 -5.858 408 HG2 PRO 59 1HG PRO 59 -0.794 6.590 -4.409 409 HG3 PRO 59 2HG PRO 59 -1.887 7.983 -4.315 410 HD2 PRO 59 1HD PRO 59 -1.862 6.023 -2.447 411 HD3 PRO 59 2HD PRO 59 -3.338 6.907 -2.883 412 H SER 60 H SER 60 -1.610 3.418 -3.919 413 HA SER 60 HA SER 60 0.121 1.973 -4.294 414 HB2 SER 60 1HB SER 60 -0.355 0.223 -5.886 415 HB3 SER 60 2HB SER 60 -1.876 0.710 -5.138 416 HG SER 60 HG SER 60 -0.900 1.413 -7.705 417 H VAL 61 H VAL 61 0.377 4.654 -5.470 418 HA VAL 61 HA VAL 61 2.267 4.006 -7.639 419 HB VAL 61 HB VAL 61 1.856 6.192 -8.616 420 HG11 VAL 61 1HG1 VAL 61 -0.926 5.554 -8.511 421 HG12 VAL 61 2HG1 VAL 61 0.233 5.258 -9.808 422 HG13 VAL 61 3HG1 VAL 61 0.011 4.061 -8.532 423 HG21 VAL 61 1HG2 VAL 61 0.278 6.578 -6.135 424 HG22 VAL 61 2HG2 VAL 61 1.292 7.717 -7.021 425 HG23 VAL 61 3HG2 VAL 61 -0.326 7.333 -7.610 426 H LEU 62 H LEU 62 1.694 5.657 -4.651 427 HA LEU 62 HA LEU 62 4.249 7.055 -4.761 428 HB2 LEU 62 1HB LEU 62 2.109 6.998 -2.638 429 HB3 LEU 62 2HB LEU 62 3.566 7.988 -2.584 430 HG LEU 62 HG LEU 62 1.468 8.241 -4.732 431 HD11 LEU 62 1HD1 LEU 62 0.676 8.705 -2.350 432 HD12 LEU 62 2HD1 LEU 62 0.454 9.982 -3.545 433 HD13 LEU 62 3HD1 LEU 62 1.777 10.083 -2.384 434 HD21 LEU 62 1HD2 LEU 62 3.038 10.576 -4.108 435 HD22 LEU 62 2HD2 LEU 62 2.818 9.748 -5.650 436 HD23 LEU 62 3HD2 LEU 62 4.074 9.214 -4.532 437 H VAL 63 H VAL 63 3.690 4.016 -4.415 438 HA VAL 63 HA VAL 63 5.550 3.669 -2.155 439 HB VAL 63 HB VAL 63 4.487 1.541 -1.617 440 HG11 VAL 63 1HG1 VAL 63 2.957 4.079 -1.559 441 HG12 VAL 63 2HG1 VAL 63 2.101 2.604 -1.109 442 HG13 VAL 63 3HG1 VAL 63 3.554 3.084 -0.231 443 HG21 VAL 63 1HG2 VAL 63 3.151 2.010 -4.152 444 HG22 VAL 63 2HG2 VAL 63 3.368 0.510 -3.250 445 HG23 VAL 63 3HG2 VAL 63 2.022 1.582 -2.866 446 H GLU 64 H GLU 64 6.857 1.691 -2.273 447 HA GLU 64 HA GLU 64 7.322 0.823 -5.050 448 HB2 GLU 64 1HB GLU 64 9.114 2.310 -4.465 449 HB3 GLU 64 2HB GLU 64 9.352 1.502 -2.922 450 HG2 GLU 64 1HG GLU 64 11.082 0.923 -4.546 451 HG3 GLU 64 2HG GLU 64 10.148 -0.484 -4.041 452 H GLU 65 H GLU 65 7.706 -1.322 -5.393 453 HA GLU 65 HA GLU 65 6.796 -3.161 -3.447 454 HB2 GLU 65 1HB GLU 65 8.137 -3.472 -6.121 455 HB3 GLU 65 2HB GLU 65 7.766 -4.868 -5.119 456 HG2 GLU 65 1HG GLU 65 5.399 -4.235 -5.132 457 HG3 GLU 65 2HG GLU 65 5.783 -2.862 -6.169 458 H LEU 66 H LEU 66 7.884 -4.646 -2.191 459 HA LEU 66 HA LEU 66 10.764 -4.138 -1.857 460 HB2 LEU 66 1HB LEU 66 8.843 -5.303 0.151 461 HB3 LEU 66 2HB LEU 66 10.525 -4.855 0.432 462 HG LEU 66 HG LEU 66 8.552 -2.771 -0.410 463 HD11 LEU 66 1HD1 LEU 66 8.542 -2.454 2.251 464 HD12 LEU 66 2HD1 LEU 66 8.624 -4.213 2.164 465 HD13 LEU 66 3HD1 LEU 66 7.301 -3.353 1.377 466 HD21 LEU 66 1HD2 LEU 66 11.244 -2.742 0.088 467 HD22 LEU 66 2HD2 LEU 66 10.568 -2.203 1.625 468 HD23 LEU 66 3HD2 LEU 66 10.179 -1.338 0.138 469 H SER 67 H SER 67 11.823 -5.639 -3.007 470 HA SER 67 HA SER 67 10.850 -8.384 -3.083 471 HB2 SER 67 1HB SER 67 12.493 -8.753 -4.808 472 HB3 SER 67 2HB SER 67 11.679 -7.227 -5.151 473 HG SER 67 HG SER 67 13.481 -6.176 -4.139 474 H SER 68 H SER 68 12.295 -10.183 -2.643 475 HA SER 68 HA SER 68 13.944 -9.638 -0.292 476 HB2 SER 68 1HB SER 68 13.014 -12.298 -1.400 477 HB3 SER 68 2HB SER 68 13.785 -12.026 0.162 478 HG SER 68 HG SER 68 11.923 -11.467 0.945 479 H GLY 69 H GLY 69 15.014 -8.877 -2.797 480 HA2 GLY 69 1HA GLY 69 17.433 -10.515 -2.769 481 HA3 GLY 69 2HA GLY 69 16.585 -10.377 -4.302 482 HA PRO 70 HA PRO 70 19.394 -6.609 -3.223 483 HB2 PRO 70 1HB PRO 70 21.799 -7.435 -4.173 484 HB3 PRO 70 2HB PRO 70 21.307 -7.650 -2.489 485 HG2 PRO 70 1HG PRO 70 21.257 -9.619 -4.742 486 HG3 PRO 70 2HG PRO 70 21.767 -9.856 -3.061 487 HD2 PRO 70 1HD PRO 70 19.339 -10.638 -3.971 488 HD3 PRO 70 2HD PRO 70 19.602 -10.085 -2.304 489 H SER 71 H SER 71 19.504 -5.063 -4.751 490 HA SER 71 HA SER 71 18.751 -5.687 -7.437 491 HB2 SER 71 1HB SER 71 18.122 -3.585 -6.149 492 HB3 SER 71 2HB SER 71 19.767 -3.023 -6.441 493 HG SER 71 HG SER 71 19.268 -2.617 -8.448 494 H SER 72 H SER 72 20.090 -6.415 -8.936 495 HA SER 72 HA SER 72 22.737 -6.829 -8.874 496 HB2 SER 72 1HB SER 72 21.388 -7.552 -10.762 497 HB3 SER 72 2HB SER 72 21.169 -5.883 -11.286 498 HG SER 72 HG SER 72 22.820 -6.619 -12.501 499 H GLY 73 H GLY 73 21.385 -3.881 -10.376 500 HA2 GLY 73 1HA GLY 73 22.246 -1.699 -9.747 501 HA3 GLY 73 2HA GLY 73 23.812 -2.455 -9.490 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -4.383 -28.627 -7.139 2 HA2 GLY 1 1HA GLY 1 -4.646 -28.355 -4.867 3 HA3 GLY 1 2HA GLY 1 -3.170 -29.304 -4.781 4 H SER 2 H SER 2 -4.602 -26.321 -4.135 5 HA SER 2 HA SER 2 -1.975 -25.044 -3.760 6 HB2 SER 2 1HB SER 2 -4.715 -23.812 -4.119 7 HB3 SER 2 2HB SER 2 -3.264 -22.893 -3.716 8 HG SER 2 HG SER 2 -4.044 -24.011 -6.114 9 H SER 3 H SER 3 -1.319 -25.406 -1.736 10 HA SER 3 HA SER 3 -3.218 -24.835 0.442 11 HB2 SER 3 1HB SER 3 -2.580 -27.309 0.098 12 HB3 SER 3 2HB SER 3 -0.991 -26.847 0.710 13 HG SER 3 HG SER 3 -2.043 -27.383 2.513 14 H GLY 4 H GLY 4 -2.034 -24.371 2.549 15 HA2 GLY 4 1HA GLY 4 -0.821 -22.664 3.563 16 HA3 GLY 4 2HA GLY 4 0.505 -23.673 3.002 17 H SER 5 H SER 5 -1.763 -21.571 1.243 18 HA SER 5 HA SER 5 0.563 -20.252 0.023 19 HB2 SER 5 1HB SER 5 -2.233 -20.783 -0.914 20 HB3 SER 5 2HB SER 5 -1.339 -19.421 -1.591 21 HG SER 5 HG SER 5 -0.722 -21.011 -2.888 22 H SER 6 H SER 6 0.908 -18.841 1.807 23 HA SER 6 HA SER 6 -0.974 -17.180 2.991 24 HB2 SER 6 1HB SER 6 1.919 -16.469 2.455 25 HB3 SER 6 2HB SER 6 0.886 -15.812 3.725 26 HG SER 6 HG SER 6 0.729 -18.269 4.223 27 H GLY 7 H GLY 7 1.290 -16.288 0.373 28 HA2 GLY 7 1HA GLY 7 1.103 -14.753 -1.323 29 HA3 GLY 7 2HA GLY 7 -0.636 -14.962 -1.188 30 H VAL 8 H VAL 8 2.109 -13.289 0.317 31 HA VAL 8 HA VAL 8 0.363 -10.962 0.710 32 HB VAL 8 HB VAL 8 0.496 -12.068 2.879 33 HG11 VAL 8 1HG1 VAL 8 2.656 -12.288 4.040 34 HG12 VAL 8 2HG1 VAL 8 2.572 -13.287 2.587 35 HG13 VAL 8 3HG1 VAL 8 3.482 -11.776 2.568 36 HG21 VAL 8 1HG2 VAL 8 1.916 -9.462 2.505 37 HG22 VAL 8 2HG2 VAL 8 0.305 -9.774 3.152 38 HG23 VAL 8 3HG2 VAL 8 1.732 -10.153 4.117 39 H CYS 9 H CYS 9 1.301 -9.017 0.311 40 HA CYS 9 HA CYS 9 4.198 -8.964 -0.186 41 HB2 CYS 9 1HB CYS 9 1.992 -8.002 -1.996 42 HB3 CYS 9 2HB CYS 9 3.621 -7.348 -2.107 43 HG CYS 9 HG CYS 9 4.662 -9.274 -3.468 44 H PHE 10 H PHE 10 5.150 -6.822 -0.092 45 HA PHE 10 HA PHE 10 3.539 -4.867 1.401 46 HB2 PHE 10 1HB PHE 10 6.332 -5.806 2.079 47 HB3 PHE 10 2HB PHE 10 5.568 -4.392 2.797 48 HD1 PHE 10 2HD PHE 10 4.856 -8.009 2.223 49 HD2 PHE 10 1HD PHE 10 4.526 -4.654 4.821 50 HE1 PHE 10 2HE PHE 10 3.827 -9.442 3.938 51 HE2 PHE 10 1HE PHE 10 3.497 -6.081 6.540 52 HZ PHE 10 HZ PHE 10 3.145 -8.479 6.100 53 H VAL 11 H VAL 11 4.432 -2.674 1.358 54 HA VAL 11 HA VAL 11 6.343 -2.126 -0.781 55 HB VAL 11 HB VAL 11 4.907 -0.474 -1.852 56 HG11 VAL 11 1HG1 VAL 11 3.627 -1.953 -3.116 57 HG12 VAL 11 2HG1 VAL 11 4.900 -2.980 -2.453 58 HG13 VAL 11 3HG1 VAL 11 3.289 -2.994 -1.734 59 HG21 VAL 11 1HG2 VAL 11 3.509 0.253 -0.080 60 HG22 VAL 11 2HG2 VAL 11 2.450 -0.490 -1.278 61 HG23 VAL 11 3HG2 VAL 11 2.882 -1.373 0.187 62 H LYS 12 H LYS 12 7.426 -0.181 -0.570 63 HA LYS 12 HA LYS 12 7.074 1.147 2.021 64 HB2 LYS 12 1HB LYS 12 9.301 0.202 1.498 65 HB3 LYS 12 2HB LYS 12 9.406 1.261 0.098 66 HG2 LYS 12 1HG LYS 12 9.153 3.194 1.712 67 HG3 LYS 12 2HG LYS 12 9.414 2.019 3.003 68 HD2 LYS 12 1HD LYS 12 11.567 2.710 2.672 69 HD3 LYS 12 2HD LYS 12 11.504 1.382 1.511 70 HE2 LYS 12 1HE LYS 12 10.769 4.162 0.681 71 HE3 LYS 12 2HE LYS 12 12.461 3.680 0.777 72 HZ1 LYS 12 1HZ LYS 12 11.679 1.701 -0.655 73 HZ2 LYS 12 2HZ LYS 12 11.920 3.202 -1.395 74 HZ3 LYS 12 3HZ LYS 12 10.353 2.686 -1.022 75 H ALA 13 H ALA 13 6.278 3.140 2.147 76 HA ALA 13 HA ALA 13 5.362 4.522 -0.155 77 HB1 ALA 13 1HB ALA 13 5.274 4.916 2.754 78 HB2 ALA 13 2HB ALA 13 5.227 6.397 1.796 79 HB3 ALA 13 3HB ALA 13 4.017 5.140 1.536 80 H LEU 14 H LEU 14 7.011 5.082 -1.527 81 HA LEU 14 HA LEU 14 9.510 6.060 -0.924 82 HB2 LEU 14 1HB LEU 14 7.740 6.830 -3.240 83 HB3 LEU 14 2HB LEU 14 9.475 7.125 -3.149 84 HG LEU 14 HG LEU 14 8.264 4.368 -3.082 85 HD11 LEU 14 1HD1 LEU 14 9.124 4.296 -5.477 86 HD12 LEU 14 2HD1 LEU 14 9.138 6.057 -5.404 87 HD13 LEU 14 3HD1 LEU 14 7.625 5.178 -5.187 88 HD21 LEU 14 1HD2 LEU 14 10.882 5.401 -2.655 89 HD22 LEU 14 2HD2 LEU 14 10.881 4.471 -4.153 90 HD23 LEU 14 3HD2 LEU 14 10.340 3.722 -2.650 91 H TYR 15 H TYR 15 6.489 7.875 -1.280 92 HA TYR 15 HA TYR 15 7.779 10.127 0.103 93 HB2 TYR 15 1HB TYR 15 5.738 10.545 -2.071 94 HB3 TYR 15 2HB TYR 15 6.825 11.726 -1.350 95 HD1 TYR 15 1HD TYR 15 6.566 8.936 -3.728 96 HD2 TYR 15 2HD TYR 15 9.105 11.937 -2.099 97 HE1 TYR 15 1HE TYR 15 8.178 8.549 -5.545 98 HE2 TYR 15 2HE TYR 15 10.724 11.559 -3.912 99 HH TYR 15 HH TYR 15 11.339 10.015 -5.539 100 H ASP 16 H ASP 16 6.645 10.966 1.751 101 HA ASP 16 HA ASP 16 4.554 9.663 2.959 102 HB2 ASP 16 1HB ASP 16 4.464 11.419 4.466 103 HB3 ASP 16 2HB ASP 16 6.069 11.642 3.774 104 H TYR 17 H TYR 17 2.481 9.387 2.494 105 HA TYR 17 HA TYR 17 1.243 11.141 0.494 106 HB2 TYR 17 1HB TYR 17 1.226 8.760 -0.047 107 HB3 TYR 17 2HB TYR 17 0.425 8.399 1.478 108 HD1 TYR 17 2HD TYR 17 -0.210 10.967 -1.164 109 HD2 TYR 17 1HD TYR 17 -1.724 7.669 1.057 110 HE1 TYR 17 2HE TYR 17 -2.398 11.245 -2.254 111 HE2 TYR 17 1HE TYR 17 -3.915 7.936 -0.027 112 HH TYR 17 HH TYR 17 -4.623 10.673 -2.088 113 H GLU 18 H GLU 18 -0.636 12.238 0.881 114 HA GLU 18 HA GLU 18 -1.573 12.243 3.673 115 HB2 GLU 18 1HB GLU 18 -2.497 14.580 2.850 116 HB3 GLU 18 2HB GLU 18 -0.842 14.398 3.414 117 HG2 GLU 18 1HG GLU 18 -0.159 14.085 1.026 118 HG3 GLU 18 2HG GLU 18 -1.804 14.527 0.569 119 H GLY 19 H GLY 19 -3.288 10.889 3.691 120 HA2 GLY 19 1HA GLY 19 -5.104 10.544 1.553 121 HA3 GLY 19 2HA GLY 19 -5.365 10.034 3.214 122 H GLN 20 H GLN 20 -6.671 11.819 0.849 123 HA GLN 20 HA GLN 20 -7.368 14.247 2.089 124 HB2 GLN 20 1HB GLN 20 -8.529 12.647 -0.166 125 HB3 GLN 20 2HB GLN 20 -9.373 14.069 0.431 126 HG2 GLN 20 1HG GLN 20 -6.984 15.163 0.113 127 HG3 GLN 20 2HG GLN 20 -6.823 13.859 -1.062 128 HE21 GLN 20 1HE2 GLN 20 -9.339 16.161 -0.065 129 HE22 GLN 20 2HE2 GLN 20 -9.758 16.657 -1.666 130 H THR 21 H THR 21 -9.085 11.144 1.891 131 HA THR 21 HA THR 21 -10.777 12.044 4.133 132 HB THR 21 HB THR 21 -12.574 10.600 3.282 133 HG1 THR 21 1HG THR 21 -10.902 10.254 0.997 134 HG21 THR 21 1HG2 THR 21 -12.659 12.910 2.624 135 HG22 THR 21 2HG2 THR 21 -13.124 11.925 1.236 136 HG23 THR 21 3HG2 THR 21 -11.509 12.628 1.317 137 H ASP 22 H ASP 22 -11.378 10.467 5.679 138 HA ASP 22 HA ASP 22 -9.458 8.845 6.683 139 HB2 ASP 22 1HB ASP 22 -11.277 9.121 8.096 140 HB3 ASP 22 2HB ASP 22 -12.445 8.719 6.840 141 H ASP 23 H ASP 23 -11.976 7.842 4.387 142 HA ASP 23 HA ASP 23 -11.569 5.176 4.164 143 HB2 ASP 23 1HB ASP 23 -12.211 7.276 2.139 144 HB3 ASP 23 2HB ASP 23 -11.885 5.639 1.577 145 H GLU 24 H GLU 24 -9.532 7.700 2.752 146 HA GLU 24 HA GLU 24 -7.781 5.866 1.433 147 HB2 GLU 24 1HB GLU 24 -7.630 8.807 2.055 148 HB3 GLU 24 2HB GLU 24 -6.287 7.954 1.308 149 HG2 GLU 24 1HG GLU 24 -8.973 7.676 0.080 150 HG3 GLU 24 2HG GLU 24 -8.116 9.203 -0.120 151 H LEU 25 H LEU 25 -5.268 6.421 1.970 152 HA LEU 25 HA LEU 25 -4.929 5.892 4.849 153 HB2 LEU 25 1HB LEU 25 -4.543 4.011 3.040 154 HB3 LEU 25 2HB LEU 25 -2.989 4.822 2.861 155 HG LEU 25 HG LEU 25 -2.649 4.481 5.333 156 HD11 LEU 25 1HD1 LEU 25 -4.995 4.133 5.933 157 HD12 LEU 25 2HD1 LEU 25 -3.987 2.776 6.435 158 HD13 LEU 25 3HD1 LEU 25 -5.009 2.633 5.005 159 HD21 LEU 25 1HD2 LEU 25 -2.745 2.338 3.277 160 HD22 LEU 25 2HD2 LEU 25 -2.424 1.872 4.948 161 HD23 LEU 25 3HD2 LEU 25 -1.365 3.026 4.135 162 H SER 26 H SER 26 -3.377 7.010 5.906 163 HA SER 26 HA SER 26 -1.714 8.840 4.300 164 HB2 SER 26 1HB SER 26 -1.803 10.381 6.276 165 HB3 SER 26 2HB SER 26 -3.366 10.129 5.499 166 HG SER 26 HG SER 26 -2.429 9.200 7.975 167 H PHE 27 H PHE 27 0.352 8.289 4.362 168 HA PHE 27 HA PHE 27 1.498 7.380 6.909 169 HB2 PHE 27 1HB PHE 27 3.017 5.947 5.245 170 HB3 PHE 27 2HB PHE 27 1.516 5.319 5.917 171 HD1 PHE 27 2HD PHE 27 2.970 6.971 2.939 172 HD2 PHE 27 1HD PHE 27 -0.252 4.687 4.526 173 HE1 PHE 27 2HE PHE 27 2.107 6.614 0.663 174 HE2 PHE 27 1HE PHE 27 -1.120 4.325 2.252 175 HZ PHE 27 HZ PHE 27 0.059 5.290 0.317 176 HA PRO 28 HA PRO 28 4.644 10.350 6.157 177 HB2 PRO 28 1HB PRO 28 6.727 9.210 7.472 178 HB3 PRO 28 2HB PRO 28 5.353 9.949 8.305 179 HG2 PRO 28 1HG PRO 28 5.889 7.060 7.728 180 HG3 PRO 28 2HG PRO 28 5.276 7.809 9.214 181 HD2 PRO 28 1HD PRO 28 3.656 6.580 7.426 182 HD3 PRO 28 2HD PRO 28 3.128 7.970 8.395 183 H GLU 29 H GLU 29 7.213 10.240 5.681 184 HA GLU 29 HA GLU 29 7.390 9.000 3.081 185 HB2 GLU 29 1HB GLU 29 8.253 11.298 3.576 186 HB3 GLU 29 2HB GLU 29 9.504 10.564 4.569 187 HG2 GLU 29 1HG GLU 29 10.599 9.650 2.749 188 HG3 GLU 29 2HG GLU 29 9.175 9.748 1.715 189 H GLY 30 H GLY 30 7.674 6.836 3.158 190 HA2 GLY 30 1HA GLY 30 9.302 5.085 3.135 191 HA3 GLY 30 2HA GLY 30 10.131 5.884 4.462 192 H ALA 31 H ALA 31 6.727 4.942 4.036 193 HA ALA 31 HA ALA 31 6.910 3.507 6.598 194 HB1 ALA 31 1HB ALA 31 5.137 5.451 5.809 195 HB2 ALA 31 2HB ALA 31 4.225 3.961 5.567 196 HB3 ALA 31 3HB ALA 31 4.909 4.329 7.150 197 H ILE 32 H ILE 32 6.228 1.404 6.787 198 HA ILE 32 HA ILE 32 6.154 -0.126 4.337 199 HB ILE 32 HB ILE 32 5.933 -1.071 7.197 200 HG12 ILE 32 1HG1 ILE 32 8.081 -0.219 7.118 201 HG13 ILE 32 2HG1 ILE 32 8.358 -1.860 6.547 202 HG21 ILE 32 1HG2 ILE 32 5.060 -2.536 5.264 203 HG22 ILE 32 2HG2 ILE 32 6.763 -2.742 4.856 204 HG23 ILE 32 3HG2 ILE 32 6.166 -3.254 6.435 205 HD11 ILE 32 1HD1 ILE 32 8.317 -1.051 4.239 206 HD12 ILE 32 2HD1 ILE 32 8.074 0.593 4.830 207 HD13 ILE 32 3HD1 ILE 32 9.570 -0.264 5.198 208 H ILE 33 H ILE 33 4.422 -1.055 3.412 209 HA ILE 33 HA ILE 33 1.860 -0.963 4.861 210 HB ILE 33 HB ILE 33 2.235 -0.365 1.924 211 HG12 ILE 33 1HG1 ILE 33 1.315 1.525 4.091 212 HG13 ILE 33 2HG1 ILE 33 2.995 1.410 3.581 213 HG21 ILE 33 1HG2 ILE 33 -0.293 0.448 2.781 214 HG22 ILE 33 2HG2 ILE 33 0.092 -0.922 1.740 215 HG23 ILE 33 3HG2 ILE 33 -0.055 -1.153 3.482 216 HD11 ILE 33 1HD1 ILE 33 1.638 1.728 1.211 217 HD12 ILE 33 2HD1 ILE 33 0.760 2.766 2.335 218 HD13 ILE 33 3HD1 ILE 33 2.494 2.986 2.103 219 H ARG 34 H ARG 34 0.658 -2.774 4.791 220 HA ARG 34 HA ARG 34 1.759 -5.056 3.333 221 HB2 ARG 34 1HB ARG 34 1.343 -5.350 5.725 222 HB3 ARG 34 2HB ARG 34 -0.348 -4.925 5.496 223 HG2 ARG 34 1HG ARG 34 -0.443 -6.923 3.901 224 HG3 ARG 34 2HG ARG 34 1.096 -7.398 4.621 225 HD2 ARG 34 1HD ARG 34 -1.448 -6.881 6.156 226 HD3 ARG 34 2HD ARG 34 -0.854 -8.476 5.694 227 HE ARG 34 HE ARG 34 1.080 -6.980 7.171 228 HH11 ARG 34 2HH1 ARG 34 -1.761 -8.971 7.460 229 HH12 ARG 34 1HH1 ARG 34 -1.387 -9.498 9.067 230 HH21 ARG 34 2HH2 ARG 34 1.583 -7.666 9.287 231 HH22 ARG 34 1HH2 ARG 34 0.515 -8.755 10.106 232 H ILE 35 H ILE 35 1.017 -5.141 1.297 233 HA ILE 35 HA ILE 35 -1.445 -4.155 0.392 234 HB ILE 35 HB ILE 35 0.297 -6.301 -0.826 235 HG12 ILE 35 1HG1 ILE 35 1.481 -4.196 -0.579 236 HG13 ILE 35 2HG1 ILE 35 1.082 -4.442 -2.276 237 HG21 ILE 35 1HG2 ILE 35 -1.171 -4.882 -2.781 238 HG22 ILE 35 2HG2 ILE 35 -1.278 -6.590 -2.359 239 HG23 ILE 35 3HG2 ILE 35 -2.311 -5.415 -1.546 240 HD11 ILE 35 1HD1 ILE 35 0.709 -2.148 -1.672 241 HD12 ILE 35 2HD1 ILE 35 -0.839 -2.924 -2.005 242 HD13 ILE 35 3HD1 ILE 35 -0.339 -2.632 -0.339 243 H LEU 36 H LEU 36 -3.093 -4.903 1.749 244 HA LEU 36 HA LEU 36 -3.574 -7.613 2.347 245 HB2 LEU 36 1HB LEU 36 -5.342 -5.184 2.315 246 HB3 LEU 36 2HB LEU 36 -5.941 -6.775 2.781 247 HG LEU 36 HG LEU 36 -3.631 -5.438 4.172 248 HD11 LEU 36 1HD1 LEU 36 -5.831 -5.306 5.848 249 HD12 LEU 36 2HD1 LEU 36 -6.448 -4.784 4.282 250 HD13 LEU 36 3HD1 LEU 36 -5.067 -3.959 5.004 251 HD21 LEU 36 1HD2 LEU 36 -3.971 -7.913 4.379 252 HD22 LEU 36 2HD2 LEU 36 -5.529 -7.571 5.131 253 HD23 LEU 36 3HD2 LEU 36 -4.039 -7.023 5.901 254 H ASN 37 H ASN 37 -4.904 -5.489 -0.170 255 HA ASN 37 HA ASN 37 -5.630 -7.890 -1.697 256 HB2 ASN 37 1HB ASN 37 -7.578 -6.598 -0.453 257 HB3 ASN 37 2HB ASN 37 -7.435 -5.514 -1.834 258 HD21 ASN 37 1HD2 ASN 37 -8.817 -8.319 -0.668 259 HD22 ASN 37 2HD2 ASN 37 -9.393 -8.969 -2.161 260 H LYS 38 H LYS 38 -5.241 -7.782 -3.855 261 HA LYS 38 HA LYS 38 -3.987 -5.306 -4.830 262 HB2 LYS 38 1HB LYS 38 -3.558 -8.203 -5.418 263 HB3 LYS 38 2HB LYS 38 -3.214 -7.030 -6.683 264 HG2 LYS 38 1HG LYS 38 -1.871 -5.854 -4.739 265 HG3 LYS 38 2HG LYS 38 -1.834 -7.499 -4.099 266 HD2 LYS 38 1HD LYS 38 -0.700 -8.320 -5.996 267 HD3 LYS 38 2HD LYS 38 -1.049 -6.864 -6.932 268 HE2 LYS 38 1HE LYS 38 0.456 -5.568 -5.599 269 HE3 LYS 38 2HE LYS 38 0.671 -6.894 -4.457 270 HZ1 LYS 38 1HZ LYS 38 1.321 -7.537 -7.200 271 HZ2 LYS 38 2HZ LYS 38 2.161 -7.892 -5.776 272 HZ3 LYS 38 3HZ LYS 38 2.326 -6.371 -6.497 273 H GLU 39 H GLU 39 -6.313 -7.832 -5.670 274 HA GLU 39 HA GLU 39 -7.008 -7.025 -8.224 275 HB2 GLU 39 1HB GLU 39 -8.563 -8.350 -6.023 276 HB3 GLU 39 2HB GLU 39 -9.337 -7.949 -7.550 277 HG2 GLU 39 1HG GLU 39 -7.850 -9.364 -8.761 278 HG3 GLU 39 2HG GLU 39 -6.852 -9.627 -7.332 279 H ASN 40 H ASN 40 -6.933 -4.742 -8.291 280 HA ASN 40 HA ASN 40 -8.649 -3.125 -6.684 281 HB2 ASN 40 1HB ASN 40 -6.800 -1.942 -7.435 282 HB3 ASN 40 2HB ASN 40 -6.875 -2.646 -9.047 283 HD21 ASN 40 1HD2 ASN 40 -8.594 -0.469 -6.861 284 HD22 ASN 40 2HD2 ASN 40 -9.209 0.570 -8.096 285 H GLN 41 H GLN 41 -10.714 -4.070 -6.979 286 HA GLN 41 HA GLN 41 -11.986 -4.520 -9.413 287 HB2 GLN 41 1HB GLN 41 -12.696 -5.040 -6.933 288 HB3 GLN 41 2HB GLN 41 -13.551 -3.510 -7.073 289 HG2 GLN 41 1HG GLN 41 -14.887 -4.319 -8.856 290 HG3 GLN 41 2HG GLN 41 -13.894 -5.766 -9.027 291 HE21 GLN 41 1HE2 GLN 41 -14.667 -7.534 -8.139 292 HE22 GLN 41 2HE2 GLN 41 -15.807 -7.612 -6.843 293 H ASP 42 H ASP 42 -12.143 -1.634 -7.331 294 HA ASP 42 HA ASP 42 -13.847 -0.008 -8.609 295 HB2 ASP 42 1HB ASP 42 -11.089 0.923 -7.796 296 HB3 ASP 42 2HB ASP 42 -12.557 1.892 -7.875 297 H ASP 43 H ASP 43 -10.705 -0.976 -9.812 298 HA ASP 43 HA ASP 43 -9.760 -0.837 -11.878 299 HB2 ASP 43 1HB ASP 43 -12.153 -1.450 -12.556 300 HB3 ASP 43 2HB ASP 43 -12.366 0.260 -12.920 301 H ASP 44 H ASP 44 -9.406 1.284 -10.100 302 HA ASP 44 HA ASP 44 -9.348 3.615 -11.903 303 HB2 ASP 44 1HB ASP 44 -9.570 3.449 -8.899 304 HB3 ASP 44 2HB ASP 44 -9.121 4.936 -9.729 305 H GLY 45 H GLY 45 -7.541 1.802 -9.457 306 HA2 GLY 45 1HA GLY 45 -5.161 1.400 -10.198 307 HA3 GLY 45 2HA GLY 45 -5.083 3.145 -10.398 308 H PHE 46 H PHE 46 -6.637 1.353 -7.778 309 HA PHE 46 HA PHE 46 -4.592 2.392 -5.935 310 HB2 PHE 46 1HB PHE 46 -7.586 2.389 -5.501 311 HB3 PHE 46 2HB PHE 46 -6.394 2.800 -4.272 312 HD1 PHE 46 2HD PHE 46 -7.092 3.742 -7.820 313 HD2 PHE 46 1HD PHE 46 -6.153 5.036 -3.875 314 HE1 PHE 46 2HE PHE 46 -7.119 6.080 -8.584 315 HE2 PHE 46 1HE PHE 46 -6.179 7.377 -4.633 316 HZ PHE 46 HZ PHE 46 -6.662 7.902 -6.991 317 H TRP 47 H TRP 47 -4.509 1.231 -3.860 318 HA TRP 47 HA TRP 47 -5.405 -1.564 -4.113 319 HB2 TRP 47 1HB TRP 47 -2.722 -0.501 -3.240 320 HB3 TRP 47 2HB TRP 47 -3.263 -2.126 -2.830 321 HD1 TRP 47 HD TRP 47 -4.705 -2.413 -5.853 322 HE1 TRP 47 1HE TRP 47 -3.140 -3.052 -7.794 323 HE3 TRP 47 3HE TRP 47 -0.234 -1.087 -3.759 324 HZ2 TRP 47 2HZ TRP 47 -0.375 -3.001 -8.361 325 HZ3 TRP 47 3HZ TRP 47 1.825 -1.414 -5.067 326 HH2 TRP 47 HH TRP 47 1.753 -2.352 -7.320 327 H GLU 48 H GLU 48 -4.998 -2.679 -1.831 328 HA GLU 48 HA GLU 48 -6.049 -0.866 0.239 329 HB2 GLU 48 1HB GLU 48 -7.772 -2.424 -0.764 330 HB3 GLU 48 2HB GLU 48 -6.854 -3.758 -0.079 331 HG2 GLU 48 1HG GLU 48 -7.374 -3.169 2.100 332 HG3 GLU 48 2HG GLU 48 -7.790 -1.515 1.658 333 H GLY 49 H GLY 49 -4.934 -0.849 2.082 334 HA2 GLY 49 1HA GLY 49 -3.442 -3.227 2.900 335 HA3 GLY 49 2HA GLY 49 -2.517 -1.760 2.620 336 H GLU 50 H GLU 50 -2.555 -3.056 5.085 337 HA GLU 50 HA GLU 50 -4.208 -1.274 6.745 338 HB2 GLU 50 1HB GLU 50 -4.557 -3.737 7.013 339 HB3 GLU 50 2HB GLU 50 -2.892 -3.868 7.562 340 HG2 GLU 50 1HG GLU 50 -3.450 -2.287 9.404 341 HG3 GLU 50 2HG GLU 50 -5.136 -2.376 8.897 342 H PHE 51 H PHE 51 -3.189 0.342 7.706 343 HA PHE 51 HA PHE 51 -0.515 -0.050 8.785 344 HB2 PHE 51 1HB PHE 51 0.156 0.795 6.697 345 HB3 PHE 51 2HB PHE 51 -1.188 1.930 6.624 346 HD1 PHE 51 1HD PHE 51 -1.122 4.019 7.869 347 HD2 PHE 51 2HD PHE 51 2.160 1.309 7.914 348 HE1 PHE 51 1HE PHE 51 0.324 5.790 8.778 349 HE2 PHE 51 2HE PHE 51 3.610 3.076 8.824 350 HZ PHE 51 HZ PHE 51 2.693 5.319 9.258 351 H ASN 52 H ASN 52 -0.070 1.220 10.549 352 HA ASN 52 HA ASN 52 -0.454 2.570 12.340 353 HB2 ASN 52 1HB ASN 52 -0.808 4.222 10.329 354 HB3 ASN 52 2HB ASN 52 -2.501 4.134 10.809 355 HD21 ASN 52 1HD2 ASN 52 -3.176 5.374 12.426 356 HD22 ASN 52 2HD2 ASN 52 -2.155 6.294 13.473 357 H GLY 53 H GLY 53 -2.150 0.208 11.725 358 HA2 GLY 53 1HA GLY 53 -3.856 -0.888 12.815 359 HA3 GLY 53 2HA GLY 53 -3.988 0.504 13.880 360 H ARG 54 H ARG 54 -4.265 0.866 10.431 361 HA ARG 54 HA ARG 54 -7.168 0.812 10.504 362 HB2 ARG 54 1HB ARG 54 -7.455 3.088 9.748 363 HB3 ARG 54 2HB ARG 54 -6.557 3.096 11.260 364 HG2 ARG 54 1HG ARG 54 -4.491 3.486 10.089 365 HG3 ARG 54 2HG ARG 54 -5.307 3.331 8.532 366 HD2 ARG 54 1HD ARG 54 -5.041 5.653 8.943 367 HD3 ARG 54 2HD ARG 54 -6.743 5.278 9.207 368 HE ARG 54 HE ARG 54 -5.763 5.076 11.683 369 HH11 ARG 54 2HH1 ARG 54 -5.337 7.515 9.235 370 HH12 ARG 54 1HH1 ARG 54 -5.126 8.805 10.372 371 HH21 ARG 54 2HH2 ARG 54 -5.487 6.767 13.189 372 HH22 ARG 54 1HH2 ARG 54 -5.210 8.378 12.621 373 H ILE 55 H ILE 55 -8.065 0.359 8.549 374 HA ILE 55 HA ILE 55 -6.201 -0.222 6.377 375 HB ILE 55 HB ILE 55 -9.115 -0.956 6.679 376 HG12 ILE 55 1HG1 ILE 55 -6.824 -2.888 6.761 377 HG13 ILE 55 2HG1 ILE 55 -7.255 -1.986 8.210 378 HG21 ILE 55 1HG2 ILE 55 -9.003 -2.126 4.695 379 HG22 ILE 55 2HG2 ILE 55 -8.030 -0.703 4.327 380 HG23 ILE 55 3HG2 ILE 55 -7.243 -2.229 4.733 381 HD11 ILE 55 1HD1 ILE 55 -9.407 -2.960 8.280 382 HD12 ILE 55 2HD1 ILE 55 -9.222 -3.646 6.665 383 HD13 ILE 55 3HD1 ILE 55 -8.260 -4.271 8.005 384 H GLY 56 H GLY 56 -6.099 0.919 4.542 385 HA2 GLY 56 1HA GLY 56 -8.347 2.646 3.796 386 HA3 GLY 56 2HA GLY 56 -6.779 3.400 4.047 387 H VAL 57 H VAL 57 -7.415 3.991 1.719 388 HA VAL 57 HA VAL 57 -6.307 1.942 -0.089 389 HB VAL 57 HB VAL 57 -7.654 2.996 -1.905 390 HG11 VAL 57 1HG1 VAL 57 -8.442 1.173 0.064 391 HG12 VAL 57 2HG1 VAL 57 -9.830 2.233 -0.184 392 HG13 VAL 57 3HG1 VAL 57 -9.124 1.368 -1.550 393 HG21 VAL 57 1HG2 VAL 57 -8.982 4.435 0.391 394 HG22 VAL 57 2HG2 VAL 57 -8.011 5.177 -0.881 395 HG23 VAL 57 3HG2 VAL 57 -9.554 4.419 -1.278 396 H PHE 58 H PHE 58 -4.821 2.590 -1.614 397 HA PHE 58 HA PHE 58 -4.004 5.414 -1.570 398 HB2 PHE 58 1HB PHE 58 -1.607 4.328 -1.899 399 HB3 PHE 58 2HB PHE 58 -2.276 4.600 -0.293 400 HD1 PHE 58 2HD PHE 58 -3.827 2.550 0.521 401 HD2 PHE 58 1HD PHE 58 -0.614 2.303 -2.260 402 HE1 PHE 58 2HE PHE 58 -3.574 0.157 1.031 403 HE2 PHE 58 1HE PHE 58 -0.356 -0.091 -1.754 404 HZ PHE 58 HZ PHE 58 -1.836 -1.167 -0.106 405 HA PRO 59 HA PRO 59 -3.847 5.232 -5.949 406 HB2 PRO 59 1HB PRO 59 -1.693 6.783 -6.520 407 HB3 PRO 59 2HB PRO 59 -3.221 7.442 -5.923 408 HG2 PRO 59 1HG PRO 59 -0.700 6.846 -4.423 409 HG3 PRO 59 2HG PRO 59 -1.766 8.258 -4.302 410 HD2 PRO 59 1HD PRO 59 -1.836 6.222 -2.518 411 HD3 PRO 59 2HD PRO 59 -3.280 7.156 -2.958 412 H SER 60 H SER 60 -1.619 3.653 -4.095 413 HA SER 60 HA SER 60 0.100 2.195 -4.479 414 HB2 SER 60 1HB SER 60 -0.395 0.495 -6.077 415 HB3 SER 60 2HB SER 60 -1.950 1.068 -5.473 416 HG SER 60 HG SER 60 -2.036 2.421 -7.363 417 H VAL 61 H VAL 61 0.465 4.910 -5.521 418 HA VAL 61 HA VAL 61 2.388 4.310 -7.675 419 HB VAL 61 HB VAL 61 2.070 6.575 -8.530 420 HG11 VAL 61 1HG1 VAL 61 -0.673 6.085 -8.741 421 HG12 VAL 61 2HG1 VAL 61 0.595 5.561 -9.850 422 HG13 VAL 61 3HG1 VAL 61 0.074 4.500 -8.541 423 HG21 VAL 61 1HG2 VAL 61 0.421 6.830 -6.091 424 HG22 VAL 61 2HG2 VAL 61 1.419 8.027 -6.916 425 HG23 VAL 61 3HG2 VAL 61 -0.184 7.634 -7.540 426 H LEU 62 H LEU 62 1.795 5.808 -4.617 427 HA LEU 62 HA LEU 62 4.406 7.117 -4.604 428 HB2 LEU 62 1HB LEU 62 2.177 7.114 -2.574 429 HB3 LEU 62 2HB LEU 62 3.681 8.019 -2.422 430 HG LEU 62 HG LEU 62 1.690 8.452 -4.643 431 HD11 LEU 62 1HD1 LEU 62 0.616 10.063 -3.434 432 HD12 LEU 62 2HD1 LEU 62 2.001 10.360 -2.385 433 HD13 LEU 62 3HD1 LEU 62 1.004 8.926 -2.143 434 HD21 LEU 62 1HD2 LEU 62 2.956 10.702 -4.616 435 HD22 LEU 62 2HD2 LEU 62 3.727 9.302 -5.362 436 HD23 LEU 62 3HD2 LEU 62 4.201 9.812 -3.740 437 H VAL 63 H VAL 63 3.827 4.121 -4.451 438 HA VAL 63 HA VAL 63 5.548 3.620 -2.117 439 HB VAL 63 HB VAL 63 4.363 1.573 -1.604 440 HG11 VAL 63 1HG1 VAL 63 2.012 2.670 -1.169 441 HG12 VAL 63 2HG1 VAL 63 3.448 3.226 -0.307 442 HG13 VAL 63 3HG1 VAL 63 2.845 4.133 -1.695 443 HG21 VAL 63 1HG2 VAL 63 3.288 1.933 -4.226 444 HG22 VAL 63 2HG2 VAL 63 3.178 0.529 -3.166 445 HG23 VAL 63 3HG2 VAL 63 1.965 1.804 -3.068 446 H GLU 64 H GLU 64 6.935 1.800 -2.289 447 HA GLU 64 HA GLU 64 7.281 0.800 -5.040 448 HB2 GLU 64 1HB GLU 64 9.057 2.364 -4.572 449 HB3 GLU 64 2HB GLU 64 9.402 1.580 -3.036 450 HG2 GLU 64 1HG GLU 64 11.084 0.854 -4.482 451 HG3 GLU 64 2HG GLU 64 9.953 -0.495 -4.385 452 H GLU 65 H GLU 65 7.540 -1.351 -5.300 453 HA GLU 65 HA GLU 65 6.800 -3.116 -3.250 454 HB2 GLU 65 1HB GLU 65 8.168 -3.617 -5.895 455 HB3 GLU 65 2HB GLU 65 7.603 -4.902 -4.836 456 HG2 GLU 65 1HG GLU 65 5.338 -4.227 -5.092 457 HG3 GLU 65 2HG GLU 65 5.813 -2.750 -5.928 458 H LEU 66 H LEU 66 8.013 -4.759 -2.189 459 HA LEU 66 HA LEU 66 10.814 -3.987 -1.729 460 HB2 LEU 66 1HB LEU 66 8.859 -5.473 0.017 461 HB3 LEU 66 2HB LEU 66 10.564 -5.255 0.407 462 HG LEU 66 HG LEU 66 8.754 -2.903 -0.046 463 HD11 LEU 66 1HD1 LEU 66 8.924 -4.696 2.316 464 HD12 LEU 66 2HD1 LEU 66 7.555 -3.784 1.680 465 HD13 LEU 66 3HD1 LEU 66 8.817 -2.957 2.594 466 HD21 LEU 66 1HD2 LEU 66 10.436 -1.654 0.851 467 HD22 LEU 66 2HD2 LEU 66 11.396 -2.950 0.137 468 HD23 LEU 66 3HD2 LEU 66 11.029 -2.972 1.862 469 H SER 67 H SER 67 12.335 -5.275 -2.507 470 HA SER 67 HA SER 67 11.649 -7.882 -3.555 471 HB2 SER 67 1HB SER 67 14.046 -6.096 -3.684 472 HB3 SER 67 2HB SER 67 14.243 -7.811 -4.041 473 HG SER 67 HG SER 67 13.062 -5.839 -5.523 474 H SER 68 H SER 68 12.351 -9.846 -2.817 475 HA SER 68 HA SER 68 14.124 -9.980 -0.515 476 HB2 SER 68 1HB SER 68 12.477 -11.437 0.724 477 HB3 SER 68 2HB SER 68 12.022 -9.737 0.618 478 HG SER 68 HG SER 68 10.879 -10.596 -1.416 479 H GLY 69 H GLY 69 14.990 -12.069 -0.142 480 HA2 GLY 69 1HA GLY 69 14.619 -13.900 -2.431 481 HA3 GLY 69 2HA GLY 69 16.146 -13.675 -1.592 482 HA PRO 70 HA PRO 70 13.288 -17.052 0.328 483 HB2 PRO 70 1HB PRO 70 13.960 -19.232 -1.142 484 HB3 PRO 70 2HB PRO 70 12.590 -18.189 -1.543 485 HG2 PRO 70 1HG PRO 70 15.347 -18.226 -2.708 486 HG3 PRO 70 2HG PRO 70 13.785 -18.071 -3.534 487 HD2 PRO 70 1HD PRO 70 15.379 -15.943 -3.018 488 HD3 PRO 70 2HD PRO 70 13.607 -15.826 -3.044 489 H SER 71 H SER 71 16.564 -17.086 -0.944 490 HA SER 71 HA SER 71 17.825 -19.104 0.301 491 HB2 SER 71 1HB SER 71 19.814 -17.889 0.166 492 HB3 SER 71 2HB SER 71 18.795 -17.078 -1.022 493 HG SER 71 HG SER 71 18.272 -15.565 0.689 494 H SER 72 H SER 72 18.650 -19.610 2.314 495 HA SER 72 HA SER 72 17.364 -18.217 4.548 496 HB2 SER 72 1HB SER 72 18.084 -20.278 5.844 497 HB3 SER 72 2HB SER 72 16.901 -20.558 4.566 498 HG SER 72 HG SER 72 19.279 -21.680 4.857 499 H GLY 73 H GLY 73 18.881 -18.703 6.666 500 HA2 GLY 73 1HA GLY 73 20.749 -16.774 6.844 501 HA3 GLY 73 2HA GLY 73 20.886 -18.276 7.747 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.061 -20.062 12.747 2 HA2 GLY 1 1HA GLY 1 -7.611 -20.232 10.043 3 HA3 GLY 1 2HA GLY 1 -6.930 -18.813 10.823 4 H SER 2 H SER 2 -4.459 -19.933 11.618 5 HA SER 2 HA SER 2 -2.760 -19.329 9.626 6 HB2 SER 2 1HB SER 2 -2.303 -21.673 11.485 7 HB3 SER 2 2HB SER 2 -1.067 -20.690 10.700 8 HG SER 2 HG SER 2 -1.853 -20.256 13.028 9 H SER 3 H SER 3 -2.815 -19.920 7.562 10 HA SER 3 HA SER 3 -2.845 -22.786 6.933 11 HB2 SER 3 1HB SER 3 -4.721 -20.688 5.934 12 HB3 SER 3 2HB SER 3 -4.218 -21.959 4.819 13 HG SER 3 HG SER 3 -4.814 -23.307 6.869 14 H GLY 4 H GLY 4 -2.127 -23.203 4.652 15 HA2 GLY 4 1HA GLY 4 0.333 -21.827 4.186 16 HA3 GLY 4 2HA GLY 4 -0.350 -23.101 3.188 17 H SER 5 H SER 5 0.315 -21.956 1.315 18 HA SER 5 HA SER 5 0.009 -20.577 -0.469 19 HB2 SER 5 1HB SER 5 -2.715 -20.397 0.818 20 HB3 SER 5 2HB SER 5 -2.334 -19.584 -0.700 21 HG SER 5 HG SER 5 -3.259 -21.692 -0.974 22 H SER 6 H SER 6 1.373 -19.479 1.687 23 HA SER 6 HA SER 6 0.505 -17.040 2.662 24 HB2 SER 6 1HB SER 6 2.623 -18.304 3.283 25 HB3 SER 6 2HB SER 6 3.364 -17.587 1.852 26 HG SER 6 HG SER 6 2.292 -16.230 4.101 27 H GLY 7 H GLY 7 -0.307 -15.409 1.518 28 HA2 GLY 7 1HA GLY 7 1.220 -14.478 -0.825 29 HA3 GLY 7 2HA GLY 7 -0.523 -14.676 -0.928 30 H VAL 8 H VAL 8 2.056 -12.887 0.681 31 HA VAL 8 HA VAL 8 0.247 -10.593 0.883 32 HB VAL 8 HB VAL 8 1.953 -11.579 3.174 33 HG11 VAL 8 1HG1 VAL 8 0.109 -9.197 3.108 34 HG12 VAL 8 2HG1 VAL 8 1.187 -9.688 4.417 35 HG13 VAL 8 3HG1 VAL 8 1.856 -9.095 2.896 36 HG21 VAL 8 1HG2 VAL 8 -1.029 -11.486 2.760 37 HG22 VAL 8 2HG2 VAL 8 -0.022 -12.906 3.042 38 HG23 VAL 8 3HG2 VAL 8 -0.270 -11.731 4.333 39 H CYS 9 H CYS 9 1.186 -9.020 -0.229 40 HA CYS 9 HA CYS 9 4.112 -8.892 -0.344 41 HB2 CYS 9 1HB CYS 9 1.908 -7.969 -2.129 42 HB3 CYS 9 2HB CYS 9 3.416 -7.063 -2.144 43 HG CYS 9 HG CYS 9 2.686 -9.927 -3.600 44 H PHE 10 H PHE 10 5.155 -6.784 -0.211 45 HA PHE 10 HA PHE 10 3.660 -4.815 1.376 46 HB2 PHE 10 1HB PHE 10 6.361 -5.999 2.018 47 HB3 PHE 10 2HB PHE 10 5.792 -4.490 2.724 48 HD1 PHE 10 2HD PHE 10 4.717 -8.028 2.263 49 HD2 PHE 10 1HD PHE 10 4.672 -4.560 4.730 50 HE1 PHE 10 2HE PHE 10 3.549 -9.296 4.019 51 HE2 PHE 10 1HE PHE 10 3.505 -5.823 6.490 52 HZ PHE 10 HZ PHE 10 2.941 -8.194 6.136 53 H VAL 11 H VAL 11 4.250 -2.675 1.086 54 HA VAL 11 HA VAL 11 6.385 -2.110 -0.847 55 HB VAL 11 HB VAL 11 4.972 -0.510 -2.043 56 HG11 VAL 11 1HG1 VAL 11 4.994 -2.477 -3.216 57 HG12 VAL 11 2HG1 VAL 11 4.227 -3.390 -1.916 58 HG13 VAL 11 3HG1 VAL 11 3.264 -2.306 -2.921 59 HG21 VAL 11 1HG2 VAL 11 2.414 -0.880 -1.609 60 HG22 VAL 11 2HG2 VAL 11 2.967 -1.360 -0.004 61 HG23 VAL 11 3HG2 VAL 11 3.335 0.252 -0.618 62 H LYS 12 H LYS 12 7.435 -0.175 -0.561 63 HA LYS 12 HA LYS 12 6.827 1.224 1.942 64 HB2 LYS 12 1HB LYS 12 9.081 0.421 1.837 65 HB3 LYS 12 2HB LYS 12 9.312 1.105 0.233 66 HG2 LYS 12 1HG LYS 12 8.825 3.366 1.428 67 HG3 LYS 12 2HG LYS 12 9.258 2.468 2.884 68 HD2 LYS 12 1HD LYS 12 11.285 3.387 2.211 69 HD3 LYS 12 2HD LYS 12 11.349 1.754 1.543 70 HE2 LYS 12 1HE LYS 12 12.011 2.986 -0.276 71 HE3 LYS 12 2HE LYS 12 10.272 2.907 -0.552 72 HZ1 LYS 12 1HZ LYS 12 11.695 5.168 0.747 73 HZ2 LYS 12 2HZ LYS 12 10.038 5.094 0.416 74 HZ3 LYS 12 3HZ LYS 12 11.152 5.149 -0.856 75 H ALA 13 H ALA 13 6.024 3.222 1.953 76 HA ALA 13 HA ALA 13 5.230 4.517 -0.432 77 HB1 ALA 13 1HB ALA 13 3.874 5.519 1.007 78 HB2 ALA 13 2HB ALA 13 4.774 4.826 2.357 79 HB3 ALA 13 3HB ALA 13 5.246 6.390 1.693 80 H LEU 14 H LEU 14 6.852 5.105 -1.790 81 HA LEU 14 HA LEU 14 9.365 6.053 -1.158 82 HB2 LEU 14 1HB LEU 14 7.627 6.748 -3.520 83 HB3 LEU 14 2HB LEU 14 9.349 7.106 -3.407 84 HG LEU 14 HG LEU 14 8.236 4.309 -3.291 85 HD11 LEU 14 1HD1 LEU 14 8.612 4.059 -5.594 86 HD12 LEU 14 2HD1 LEU 14 9.467 5.597 -5.709 87 HD13 LEU 14 3HD1 LEU 14 7.725 5.575 -5.437 88 HD21 LEU 14 1HD2 LEU 14 10.816 5.457 -2.878 89 HD22 LEU 14 2HD2 LEU 14 10.856 4.461 -4.333 90 HD23 LEU 14 3HD2 LEU 14 10.329 3.764 -2.800 91 H TYR 15 H TYR 15 6.319 7.776 -1.285 92 HA TYR 15 HA TYR 15 7.633 10.087 -0.056 93 HB2 TYR 15 1HB TYR 15 5.581 10.433 -2.239 94 HB3 TYR 15 2HB TYR 15 6.597 11.667 -1.503 95 HD1 TYR 15 1HD TYR 15 6.524 8.847 -3.862 96 HD2 TYR 15 2HD TYR 15 8.868 11.996 -2.222 97 HE1 TYR 15 1HE TYR 15 8.186 8.531 -5.647 98 HE2 TYR 15 2HE TYR 15 10.537 11.690 -4.004 99 HH TYR 15 HH TYR 15 10.306 9.036 -6.300 100 H ASP 16 H ASP 16 6.469 11.052 1.526 101 HA ASP 16 HA ASP 16 4.469 9.747 2.867 102 HB2 ASP 16 1HB ASP 16 5.421 11.435 4.119 103 HB3 ASP 16 2HB ASP 16 5.359 12.596 2.795 104 H TYR 17 H TYR 17 2.234 9.859 2.965 105 HA TYR 17 HA TYR 17 0.915 11.222 0.710 106 HB2 TYR 17 1HB TYR 17 1.002 8.805 0.302 107 HB3 TYR 17 2HB TYR 17 0.232 8.506 1.857 108 HD1 TYR 17 1HD TYR 17 -2.097 9.703 2.184 109 HD2 TYR 17 2HD TYR 17 -0.321 8.875 -1.593 110 HE1 TYR 17 1HE TYR 17 -4.310 9.841 1.120 111 HE2 TYR 17 2HE TYR 17 -2.529 9.012 -2.667 112 HH TYR 17 HH TYR 17 -5.096 10.421 -1.424 113 H GLU 18 H GLU 18 -0.815 12.440 1.190 114 HA GLU 18 HA GLU 18 -1.659 12.528 3.998 115 HB2 GLU 18 1HB GLU 18 -0.814 14.611 2.863 116 HB3 GLU 18 2HB GLU 18 -2.234 14.547 1.827 117 HG2 GLU 18 1HG GLU 18 -3.652 15.184 3.488 118 HG3 GLU 18 2HG GLU 18 -2.657 14.480 4.761 119 H GLY 19 H GLY 19 -3.537 11.659 4.563 120 HA2 GLY 19 1HA GLY 19 -5.424 10.862 2.488 121 HA3 GLY 19 2HA GLY 19 -5.460 10.369 4.174 122 H GLN 20 H GLN 20 -6.919 12.273 1.866 123 HA GLN 20 HA GLN 20 -7.716 14.521 3.378 124 HB2 GLN 20 1HB GLN 20 -8.730 13.196 0.890 125 HB3 GLN 20 2HB GLN 20 -9.670 14.480 1.640 126 HG2 GLN 20 1HG GLN 20 -7.340 15.727 1.572 127 HG3 GLN 20 2HG GLN 20 -7.059 14.603 0.244 128 HE21 GLN 20 1HE2 GLN 20 -9.625 16.745 1.444 129 HE22 GLN 20 2HE2 GLN 20 -10.055 17.377 -0.105 130 H THR 21 H THR 21 -9.173 11.343 2.867 131 HA THR 21 HA THR 21 -11.066 11.951 5.044 132 HB THR 21 HB THR 21 -12.351 11.797 3.020 133 HG1 THR 21 1HG THR 21 -13.772 10.518 3.945 134 HG21 THR 21 1HG2 THR 21 -10.731 9.315 2.545 135 HG22 THR 21 2HG2 THR 21 -11.005 10.684 1.468 136 HG23 THR 21 3HG2 THR 21 -12.304 9.534 1.780 137 H ASP 22 H ASP 22 -11.801 10.047 6.259 138 HA ASP 22 HA ASP 22 -9.679 8.526 7.241 139 HB2 ASP 22 1HB ASP 22 -11.270 7.396 8.586 140 HB3 ASP 22 2HB ASP 22 -11.908 9.023 8.368 141 H ASP 23 H ASP 23 -11.519 8.109 4.415 142 HA ASP 23 HA ASP 23 -11.355 5.275 4.186 143 HB2 ASP 23 1HB ASP 23 -12.984 6.058 2.779 144 HB3 ASP 23 2HB ASP 23 -12.099 7.533 2.401 145 H GLU 24 H GLU 24 -9.308 7.953 3.184 146 HA GLU 24 HA GLU 24 -7.520 6.282 1.669 147 HB2 GLU 24 1HB GLU 24 -7.474 9.165 2.524 148 HB3 GLU 24 2HB GLU 24 -6.078 8.418 1.760 149 HG2 GLU 24 1HG GLU 24 -7.316 7.968 -0.229 150 HG3 GLU 24 2HG GLU 24 -8.823 8.471 0.535 151 H LEU 25 H LEU 25 -5.048 6.697 2.250 152 HA LEU 25 HA LEU 25 -4.710 6.097 5.115 153 HB2 LEU 25 1HB LEU 25 -4.445 4.212 3.298 154 HB3 LEU 25 2HB LEU 25 -2.861 4.951 3.079 155 HG LEU 25 HG LEU 25 -2.471 4.586 5.541 156 HD11 LEU 25 1HD1 LEU 25 -4.787 2.681 5.346 157 HD12 LEU 25 2HD1 LEU 25 -4.942 4.303 6.020 158 HD13 LEU 25 3HD1 LEU 25 -3.857 3.136 6.775 159 HD21 LEU 25 1HD2 LEU 25 -2.265 2.022 5.194 160 HD22 LEU 25 2HD2 LEU 25 -1.314 3.113 4.185 161 HD23 LEU 25 3HD2 LEU 25 -2.787 2.380 3.547 162 H SER 26 H SER 26 -3.242 7.281 6.166 163 HA SER 26 HA SER 26 -1.472 9.006 4.563 164 HB2 SER 26 1HB SER 26 -1.499 10.573 6.446 165 HB3 SER 26 2HB SER 26 -3.142 10.231 5.905 166 HG SER 26 HG SER 26 -2.112 8.604 7.911 167 H PHE 27 H PHE 27 0.572 8.377 4.561 168 HA PHE 27 HA PHE 27 1.742 7.361 7.056 169 HB2 PHE 27 1HB PHE 27 3.166 5.914 5.322 170 HB3 PHE 27 2HB PHE 27 1.656 5.327 6.013 171 HD1 PHE 27 2HD PHE 27 3.051 7.088 3.057 172 HD2 PHE 27 1HD PHE 27 -0.107 4.709 4.633 173 HE1 PHE 27 2HE PHE 27 2.126 6.822 0.793 174 HE2 PHE 27 1HE PHE 27 -1.037 4.439 2.371 175 HZ PHE 27 HZ PHE 27 0.079 5.497 0.448 176 HA PRO 28 HA PRO 28 4.999 10.207 6.304 177 HB2 PRO 28 1HB PRO 28 7.080 8.923 7.484 178 HB3 PRO 28 2HB PRO 28 5.774 9.680 8.402 179 HG2 PRO 28 1HG PRO 28 6.160 6.801 7.679 180 HG3 PRO 28 2HG PRO 28 5.638 7.507 9.220 181 HD2 PRO 28 1HD PRO 28 3.898 6.429 7.449 182 HD3 PRO 28 2HD PRO 28 3.469 7.795 8.498 183 H GLU 29 H GLU 29 7.459 10.134 5.620 184 HA GLU 29 HA GLU 29 7.502 8.926 3.010 185 HB2 GLU 29 1HB GLU 29 8.410 11.152 3.282 186 HB3 GLU 29 2HB GLU 29 9.545 10.582 4.497 187 HG2 GLU 29 1HG GLU 29 10.812 9.396 2.903 188 HG3 GLU 29 2HG GLU 29 9.560 9.567 1.673 189 H GLY 30 H GLY 30 7.696 6.734 3.129 190 HA2 GLY 30 1HA GLY 30 9.366 4.996 2.935 191 HA3 GLY 30 2HA GLY 30 10.221 5.738 4.279 192 H ALA 31 H ALA 31 6.763 5.038 4.042 193 HA ALA 31 HA ALA 31 7.054 3.286 6.390 194 HB1 ALA 31 1HB ALA 31 5.317 5.465 5.872 195 HB2 ALA 31 2HB ALA 31 4.337 4.002 5.974 196 HB3 ALA 31 3HB ALA 31 5.402 4.445 7.308 197 H ILE 32 H ILE 32 7.040 1.207 5.844 198 HA ILE 32 HA ILE 32 5.933 0.216 3.422 199 HB ILE 32 HB ILE 32 7.012 -1.134 5.882 200 HG12 ILE 32 1HG1 ILE 32 8.610 -1.995 4.020 201 HG13 ILE 32 2HG1 ILE 32 7.942 -0.679 3.061 202 HG21 ILE 32 1HG2 ILE 32 5.814 -2.441 3.446 203 HG22 ILE 32 2HG2 ILE 32 6.804 -3.276 4.642 204 HG23 ILE 32 3HG2 ILE 32 5.254 -2.579 5.113 205 HD11 ILE 32 1HD1 ILE 32 9.178 0.836 4.113 206 HD12 ILE 32 2HD1 ILE 32 8.780 0.182 5.702 207 HD13 ILE 32 3HD1 ILE 32 10.092 -0.526 4.760 208 H ILE 33 H ILE 33 4.108 -1.043 3.072 209 HA ILE 33 HA ILE 33 2.153 -1.143 5.271 210 HB ILE 33 HB ILE 33 1.490 -0.505 2.395 211 HG12 ILE 33 1HG1 ILE 33 1.155 1.381 4.708 212 HG13 ILE 33 2HG1 ILE 33 2.697 1.272 3.866 213 HG21 ILE 33 1HG2 ILE 33 -0.354 -1.623 3.305 214 HG22 ILE 33 2HG2 ILE 33 -0.167 -0.840 4.873 215 HG23 ILE 33 3HG2 ILE 33 -0.743 0.087 3.487 216 HD11 ILE 33 1HD1 ILE 33 0.471 1.554 2.036 217 HD12 ILE 33 2HD1 ILE 33 0.572 2.883 3.192 218 HD13 ILE 33 3HD1 ILE 33 1.956 2.495 2.171 219 H ARG 34 H ARG 34 0.732 -2.898 5.274 220 HA ARG 34 HA ARG 34 1.714 -5.218 3.814 221 HB2 ARG 34 1HB ARG 34 1.359 -5.474 6.204 222 HB3 ARG 34 2HB ARG 34 -0.314 -4.960 6.040 223 HG2 ARG 34 1HG ARG 34 -0.722 -6.957 4.614 224 HG3 ARG 34 2HG ARG 34 0.920 -7.490 4.979 225 HD2 ARG 34 1HD ARG 34 0.305 -7.368 7.413 226 HD3 ARG 34 2HD ARG 34 -1.362 -7.103 6.905 227 HE ARG 34 HE ARG 34 -0.183 -9.445 5.743 228 HH11 ARG 34 2HH1 ARG 34 -1.816 -8.167 8.540 229 HH12 ARG 34 1HH1 ARG 34 -2.444 -9.703 9.037 230 HH21 ARG 34 2HH2 ARG 34 -1.004 -11.473 6.388 231 HH22 ARG 34 1HH2 ARG 34 -1.981 -11.583 7.813 232 H ILE 35 H ILE 35 0.946 -5.128 1.755 233 HA ILE 35 HA ILE 35 -1.518 -4.201 0.892 234 HB ILE 35 HB ILE 35 0.125 -6.429 -0.316 235 HG12 ILE 35 1HG1 ILE 35 1.364 -4.318 -0.061 236 HG13 ILE 35 2HG1 ILE 35 1.049 -4.675 -1.755 237 HG21 ILE 35 1HG2 ILE 35 -1.945 -6.618 -1.352 238 HG22 ILE 35 2HG2 ILE 35 -2.233 -4.879 -1.313 239 HG23 ILE 35 3HG2 ILE 35 -1.053 -5.552 -2.437 240 HD11 ILE 35 1HD1 ILE 35 -1.107 -3.118 -0.854 241 HD12 ILE 35 2HD1 ILE 35 0.364 -2.359 -0.244 242 HD13 ILE 35 3HD1 ILE 35 0.178 -2.660 -1.971 243 H LEU 36 H LEU 36 -3.320 -4.827 1.972 244 HA LEU 36 HA LEU 36 -3.805 -7.561 2.701 245 HB2 LEU 36 1HB LEU 36 -5.395 -5.027 2.846 246 HB3 LEU 36 2HB LEU 36 -6.146 -6.584 3.187 247 HG LEU 36 HG LEU 36 -3.675 -5.759 4.660 248 HD11 LEU 36 1HD1 LEU 36 -5.386 -4.945 6.428 249 HD12 LEU 36 2HD1 LEU 36 -6.451 -4.716 5.042 250 HD13 LEU 36 3HD1 LEU 36 -4.910 -3.861 5.121 251 HD21 LEU 36 1HD2 LEU 36 -4.274 -7.377 6.163 252 HD22 LEU 36 2HD2 LEU 36 -4.936 -8.071 4.682 253 HD23 LEU 36 3HD2 LEU 36 -5.996 -7.225 5.811 254 H ASN 37 H ASN 37 -5.208 -5.309 0.332 255 HA ASN 37 HA ASN 37 -5.875 -7.571 -1.376 256 HB2 ASN 37 1HB ASN 37 -7.921 -5.597 -0.350 257 HB3 ASN 37 2HB ASN 37 -8.193 -6.645 -1.740 258 HD21 ASN 37 1HD2 ASN 37 -8.676 -6.326 1.487 259 HD22 ASN 37 2HD2 ASN 37 -8.910 -7.985 1.912 260 H LYS 38 H LYS 38 -5.162 -7.112 -3.341 261 HA LYS 38 HA LYS 38 -5.325 -4.335 -4.298 262 HB2 LYS 38 1HB LYS 38 -3.152 -4.561 -5.373 263 HB3 LYS 38 2HB LYS 38 -3.005 -4.833 -3.642 264 HG2 LYS 38 1HG LYS 38 -2.491 -7.037 -3.887 265 HG3 LYS 38 2HG LYS 38 -3.407 -7.199 -5.387 266 HD2 LYS 38 1HD LYS 38 -1.694 -6.319 -6.678 267 HD3 LYS 38 2HD LYS 38 -0.947 -5.497 -5.306 268 HE2 LYS 38 1HE LYS 38 0.469 -7.312 -5.808 269 HE3 LYS 38 2HE LYS 38 -0.444 -7.803 -4.381 270 HZ1 LYS 38 1HZ LYS 38 -0.225 -9.175 -6.756 271 HZ2 LYS 38 2HZ LYS 38 -1.797 -8.551 -6.764 272 HZ3 LYS 38 3HZ LYS 38 -1.279 -9.522 -5.479 273 H GLU 39 H GLU 39 -7.174 -6.444 -4.777 274 HA GLU 39 HA GLU 39 -6.690 -7.009 -7.627 275 HB2 GLU 39 1HB GLU 39 -8.162 -8.530 -5.501 276 HB3 GLU 39 2HB GLU 39 -8.573 -8.755 -7.196 277 HG2 GLU 39 1HG GLU 39 -6.352 -9.500 -7.698 278 HG3 GLU 39 2HG GLU 39 -5.809 -9.115 -6.066 279 H ASN 40 H ASN 40 -7.604 -4.501 -6.943 280 HA ASN 40 HA ASN 40 -10.219 -3.915 -6.670 281 HB2 ASN 40 1HB ASN 40 -8.200 -2.375 -7.243 282 HB3 ASN 40 2HB ASN 40 -8.714 -2.600 -8.913 283 HD21 ASN 40 1HD2 ASN 40 -8.670 -0.126 -7.662 284 HD22 ASN 40 2HD2 ASN 40 -10.292 0.445 -7.496 285 H GLN 41 H GLN 41 -12.070 -3.828 -7.922 286 HA GLN 41 HA GLN 41 -12.121 -5.695 -10.155 287 HB2 GLN 41 1HB GLN 41 -14.581 -5.493 -9.961 288 HB3 GLN 41 2HB GLN 41 -13.818 -5.990 -8.456 289 HG2 GLN 41 1HG GLN 41 -14.387 -3.104 -8.942 290 HG3 GLN 41 2HG GLN 41 -15.686 -4.187 -8.444 291 HE21 GLN 41 1HE2 GLN 41 -15.365 -2.331 -6.724 292 HE22 GLN 41 2HE2 GLN 41 -14.441 -2.808 -5.345 293 H ASP 42 H ASP 42 -11.733 -2.420 -9.727 294 HA ASP 42 HA ASP 42 -12.775 -1.857 -12.426 295 HB2 ASP 42 1HB ASP 42 -12.640 -0.008 -10.036 296 HB3 ASP 42 2HB ASP 42 -13.062 0.505 -11.668 297 H ASP 43 H ASP 43 -11.643 0.051 -13.460 298 HA ASP 43 HA ASP 43 -8.768 -0.359 -13.189 299 HB2 ASP 43 1HB ASP 43 -8.687 1.003 -15.320 300 HB3 ASP 43 2HB ASP 43 -9.548 -0.529 -15.435 301 H ASP 44 H ASP 44 -8.571 0.806 -11.185 302 HA ASP 44 HA ASP 44 -8.693 3.731 -11.530 303 HB2 ASP 44 1HB ASP 44 -10.143 2.495 -9.719 304 HB3 ASP 44 2HB ASP 44 -8.627 2.454 -8.823 305 H GLY 45 H GLY 45 -6.901 1.119 -9.905 306 HA2 GLY 45 1HA GLY 45 -4.526 0.920 -10.085 307 HA3 GLY 45 2HA GLY 45 -4.435 2.652 -10.366 308 H PHE 46 H PHE 46 -6.417 1.325 -7.826 309 HA PHE 46 HA PHE 46 -4.462 2.302 -5.849 310 HB2 PHE 46 1HB PHE 46 -7.480 2.489 -5.754 311 HB3 PHE 46 2HB PHE 46 -6.411 2.914 -4.421 312 HD1 PHE 46 2HD PHE 46 -6.671 3.657 -8.073 313 HD2 PHE 46 1HD PHE 46 -6.044 5.151 -4.137 314 HE1 PHE 46 2HE PHE 46 -6.461 5.936 -8.976 315 HE2 PHE 46 1HE PHE 46 -5.834 7.433 -5.034 316 HZ PHE 46 HZ PHE 46 -6.042 7.828 -7.456 317 H TRP 47 H TRP 47 -4.338 1.187 -3.866 318 HA TRP 47 HA TRP 47 -5.649 -1.449 -3.827 319 HB2 TRP 47 1HB TRP 47 -2.761 -0.810 -3.200 320 HB3 TRP 47 2HB TRP 47 -3.533 -2.342 -2.798 321 HD1 TRP 47 HD TRP 47 -5.180 -2.299 -5.724 322 HE1 TRP 47 1HE TRP 47 -3.857 -3.103 -7.779 323 HE3 TRP 47 3HE TRP 47 -0.436 -1.748 -3.901 324 HZ2 TRP 47 2HZ TRP 47 -1.158 -3.458 -8.529 325 HZ3 TRP 47 3HZ TRP 47 1.461 -2.343 -5.350 326 HH2 TRP 47 HH TRP 47 1.105 -3.180 -7.616 327 H GLU 48 H GLU 48 -5.651 -2.452 -1.635 328 HA GLU 48 HA GLU 48 -5.987 -0.374 0.425 329 HB2 GLU 48 1HB GLU 48 -8.037 -1.670 -0.369 330 HB3 GLU 48 2HB GLU 48 -7.331 -3.071 0.423 331 HG2 GLU 48 1HG GLU 48 -7.370 -1.905 2.557 332 HG3 GLU 48 2HG GLU 48 -8.042 -0.476 1.773 333 H GLY 49 H GLY 49 -4.852 -0.524 2.268 334 HA2 GLY 49 1HA GLY 49 -3.751 -3.072 3.128 335 HA3 GLY 49 2HA GLY 49 -2.569 -1.866 2.641 336 H GLU 50 H GLU 50 -2.836 -3.030 5.243 337 HA GLU 50 HA GLU 50 -3.894 -0.821 6.854 338 HB2 GLU 50 1HB GLU 50 -4.548 -3.211 7.344 339 HB3 GLU 50 2HB GLU 50 -2.882 -3.491 7.832 340 HG2 GLU 50 1HG GLU 50 -3.253 -1.512 9.438 341 HG3 GLU 50 2HG GLU 50 -4.967 -1.794 9.140 342 H PHE 51 H PHE 51 -2.604 0.562 7.895 343 HA PHE 51 HA PHE 51 0.279 -0.043 7.980 344 HB2 PHE 51 1HB PHE 51 -0.083 1.761 6.439 345 HB3 PHE 51 2HB PHE 51 -1.132 2.597 7.579 346 HD1 PHE 51 2HD PHE 51 2.364 1.384 7.194 347 HD2 PHE 51 1HD PHE 51 -0.259 4.244 8.942 348 HE1 PHE 51 2HE PHE 51 4.303 2.630 8.055 349 HE2 PHE 51 1HE PHE 51 1.676 5.496 9.805 350 HZ PHE 51 HZ PHE 51 3.960 4.688 9.363 351 H ASN 52 H ASN 52 -1.900 2.323 9.519 352 HA ASN 52 HA ASN 52 -0.702 1.589 12.108 353 HB2 ASN 52 1HB ASN 52 -0.428 3.983 11.110 354 HB3 ASN 52 2HB ASN 52 -2.099 4.202 11.624 355 HD21 ASN 52 1HD2 ASN 52 -0.416 5.857 12.732 356 HD22 ASN 52 2HD2 ASN 52 -0.045 5.426 14.363 357 H GLY 53 H GLY 53 -2.268 -0.124 12.326 358 HA2 GLY 53 1HA GLY 53 -4.301 -1.030 12.930 359 HA3 GLY 53 2HA GLY 53 -4.357 0.358 14.007 360 H ARG 54 H ARG 54 -4.369 0.699 10.531 361 HA ARG 54 HA ARG 54 -7.257 1.061 10.464 362 HB2 ARG 54 1HB ARG 54 -7.227 3.303 9.715 363 HB3 ARG 54 2HB ARG 54 -6.168 3.262 11.118 364 HG2 ARG 54 1HG ARG 54 -4.226 3.370 9.773 365 HG3 ARG 54 2HG ARG 54 -5.148 3.060 8.300 366 HD2 ARG 54 1HD ARG 54 -4.524 5.423 8.513 367 HD3 ARG 54 2HD ARG 54 -6.273 5.198 8.526 368 HE ARG 54 HE ARG 54 -5.141 5.268 11.155 369 HH11 ARG 54 2HH1 ARG 54 -6.275 7.221 8.505 370 HH12 ARG 54 1HH1 ARG 54 -6.648 8.588 9.501 371 HH21 ARG 54 2HH2 ARG 54 -5.628 7.062 12.477 372 HH22 ARG 54 1HH2 ARG 54 -6.278 8.497 11.760 373 H ILE 55 H ILE 55 -8.148 0.929 8.393 374 HA ILE 55 HA ILE 55 -6.270 0.016 6.313 375 HB ILE 55 HB ILE 55 -9.171 -0.749 6.664 376 HG12 ILE 55 1HG1 ILE 55 -6.914 -2.694 6.845 377 HG13 ILE 55 2HG1 ILE 55 -7.227 -1.654 8.230 378 HG21 ILE 55 1HG2 ILE 55 -8.349 -0.646 4.312 379 HG22 ILE 55 2HG2 ILE 55 -7.145 -1.863 4.734 380 HG23 ILE 55 3HG2 ILE 55 -8.862 -2.252 4.829 381 HD11 ILE 55 1HD1 ILE 55 -8.476 -4.063 7.588 382 HD12 ILE 55 2HD1 ILE 55 -8.916 -2.930 8.866 383 HD13 ILE 55 3HD1 ILE 55 -9.675 -2.807 7.279 384 H GLY 56 H GLY 56 -6.037 1.380 4.676 385 HA2 GLY 56 1HA GLY 56 -8.388 2.934 3.803 386 HA3 GLY 56 2HA GLY 56 -6.825 3.711 4.012 387 H VAL 57 H VAL 57 -7.491 4.230 1.677 388 HA VAL 57 HA VAL 57 -6.402 2.133 -0.087 389 HB VAL 57 HB VAL 57 -7.768 3.083 -1.912 390 HG11 VAL 57 1HG1 VAL 57 -10.034 2.544 -0.386 391 HG12 VAL 57 2HG1 VAL 57 -9.084 1.388 -1.321 392 HG13 VAL 57 3HG1 VAL 57 -8.737 1.636 0.391 393 HG21 VAL 57 1HG2 VAL 57 -9.763 4.515 -0.998 394 HG22 VAL 57 2HG2 VAL 57 -8.609 4.940 0.266 395 HG23 VAL 57 3HG2 VAL 57 -8.233 5.282 -1.423 396 H PHE 58 H PHE 58 -4.851 2.703 -1.544 397 HA PHE 58 HA PHE 58 -4.052 5.534 -1.632 398 HB2 PHE 58 1HB PHE 58 -1.651 4.488 -1.871 399 HB3 PHE 58 2HB PHE 58 -2.361 4.727 -0.278 400 HD1 PHE 58 2HD PHE 58 -3.820 2.656 0.550 401 HD2 PHE 58 1HD PHE 58 -0.666 2.468 -2.301 402 HE1 PHE 58 2HE PHE 58 -3.523 0.263 1.042 403 HE2 PHE 58 1HE PHE 58 -0.364 0.075 -1.815 404 HZ PHE 58 HZ PHE 58 -1.793 -1.030 -0.140 405 HA PRO 59 HA PRO 59 -3.874 5.171 -5.999 406 HB2 PRO 59 1HB PRO 59 -1.743 6.734 -6.618 407 HB3 PRO 59 2HB PRO 59 -3.285 7.391 -6.059 408 HG2 PRO 59 1HG PRO 59 -0.767 6.899 -4.518 409 HG3 PRO 59 2HG PRO 59 -1.857 8.296 -4.462 410 HD2 PRO 59 1HD PRO 59 -1.908 6.334 -2.597 411 HD3 PRO 59 2HD PRO 59 -3.364 7.225 -3.085 412 H SER 60 H SER 60 -1.660 3.685 -4.069 413 HA SER 60 HA SER 60 0.111 2.266 -4.384 414 HB2 SER 60 1HB SER 60 -1.231 1.440 -6.944 415 HB3 SER 60 2HB SER 60 -0.416 0.435 -5.746 416 HG SER 60 HG SER 60 -2.705 0.260 -5.638 417 H VAL 61 H VAL 61 0.454 4.912 -5.541 418 HA VAL 61 HA VAL 61 2.319 4.240 -7.725 419 HB VAL 61 HB VAL 61 1.988 6.457 -8.654 420 HG11 VAL 61 1HG1 VAL 61 0.302 5.640 -9.845 421 HG12 VAL 61 2HG1 VAL 61 0.064 4.405 -8.607 422 HG13 VAL 61 3HG1 VAL 61 -0.822 5.928 -8.517 423 HG21 VAL 61 1HG2 VAL 61 -0.052 7.748 -7.658 424 HG22 VAL 61 2HG2 VAL 61 0.340 6.847 -6.193 425 HG23 VAL 61 3HG2 VAL 61 1.542 7.913 -6.921 426 H LEU 62 H LEU 62 1.814 5.870 -4.706 427 HA LEU 62 HA LEU 62 4.438 7.139 -4.794 428 HB2 LEU 62 1HB LEU 62 2.298 7.177 -2.671 429 HB3 LEU 62 2HB LEU 62 3.795 8.106 -2.627 430 HG LEU 62 HG LEU 62 1.666 8.441 -4.736 431 HD11 LEU 62 1HD1 LEU 62 1.854 10.686 -3.022 432 HD12 LEU 62 2HD1 LEU 62 1.633 9.256 -2.014 433 HD13 LEU 62 3HD1 LEU 62 0.474 9.621 -3.292 434 HD21 LEU 62 1HD2 LEU 62 3.534 10.612 -4.112 435 HD22 LEU 62 2HD2 LEU 62 2.979 10.001 -5.671 436 HD23 LEU 62 3HD2 LEU 62 4.284 9.178 -4.815 437 H VAL 63 H VAL 63 3.845 4.146 -4.558 438 HA VAL 63 HA VAL 63 5.624 3.684 -2.258 439 HB VAL 63 HB VAL 63 4.465 1.603 -1.748 440 HG11 VAL 63 1HG1 VAL 63 3.092 4.214 -1.651 441 HG12 VAL 63 2HG1 VAL 63 2.101 2.796 -1.302 442 HG13 VAL 63 3HG1 VAL 63 3.548 3.120 -0.345 443 HG21 VAL 63 1HG2 VAL 63 2.981 2.285 -4.216 444 HG22 VAL 63 2HG2 VAL 63 3.471 0.713 -3.586 445 HG23 VAL 63 3HG2 VAL 63 2.063 1.533 -2.912 446 H GLU 64 H GLU 64 6.980 1.815 -2.420 447 HA GLU 64 HA GLU 64 7.378 0.905 -5.195 448 HB2 GLU 64 1HB GLU 64 9.737 0.857 -4.836 449 HB3 GLU 64 2HB GLU 64 9.162 2.426 -4.290 450 HG2 GLU 64 1HG GLU 64 9.387 1.837 -2.024 451 HG3 GLU 64 2HG GLU 64 9.577 0.127 -2.409 452 H GLU 65 H GLU 65 7.818 -1.250 -5.557 453 HA GLU 65 HA GLU 65 6.893 -3.066 -3.529 454 HB2 GLU 65 1HB GLU 65 7.748 -3.330 -6.388 455 HB3 GLU 65 2HB GLU 65 7.609 -4.769 -5.388 456 HG2 GLU 65 1HG GLU 65 5.333 -4.594 -5.203 457 HG3 GLU 65 2HG GLU 65 5.336 -2.852 -5.470 458 H LEU 66 H LEU 66 8.059 -4.373 -2.243 459 HA LEU 66 HA LEU 66 10.928 -3.982 -2.157 460 HB2 LEU 66 1HB LEU 66 8.989 -5.453 -0.391 461 HB3 LEU 66 2HB LEU 66 10.732 -5.492 -0.133 462 HG LEU 66 HG LEU 66 9.301 -2.867 -0.246 463 HD11 LEU 66 1HD1 LEU 66 8.369 -3.038 1.788 464 HD12 LEU 66 2HD1 LEU 66 9.681 -4.031 2.422 465 HD13 LEU 66 3HD1 LEU 66 8.402 -4.771 1.459 466 HD21 LEU 66 1HD2 LEU 66 11.938 -3.644 0.088 467 HD22 LEU 66 2HD2 LEU 66 11.392 -3.265 1.722 468 HD23 LEU 66 3HD2 LEU 66 11.257 -2.056 0.444 469 H SER 67 H SER 67 11.798 -5.063 -3.892 470 HA SER 67 HA SER 67 11.234 -7.933 -4.134 471 HB2 SER 67 1HB SER 67 12.271 -7.782 -6.347 472 HB3 SER 67 2HB SER 67 10.997 -6.573 -6.184 473 HG SER 67 HG SER 67 12.783 -5.578 -7.067 474 H SER 68 H SER 68 13.970 -5.662 -4.043 475 HA SER 68 HA SER 68 16.195 -5.993 -3.614 476 HB2 SER 68 1HB SER 68 14.832 -6.321 -1.364 477 HB3 SER 68 2HB SER 68 15.449 -7.967 -1.498 478 HG SER 68 HG SER 68 17.218 -5.818 -1.827 479 H GLY 69 H GLY 69 15.405 -7.575 -5.726 480 HA2 GLY 69 1HA GLY 69 16.267 -10.300 -5.291 481 HA3 GLY 69 2HA GLY 69 15.792 -9.585 -6.825 482 HA PRO 70 HA PRO 70 20.023 -9.622 -8.002 483 HB2 PRO 70 1HB PRO 70 19.958 -7.724 -9.941 484 HB3 PRO 70 2HB PRO 70 19.275 -9.340 -10.156 485 HG2 PRO 70 1HG PRO 70 17.892 -6.773 -9.478 486 HG3 PRO 70 2HG PRO 70 17.400 -8.042 -10.613 487 HD2 PRO 70 1HD PRO 70 16.344 -7.820 -8.130 488 HD3 PRO 70 2HD PRO 70 16.554 -9.385 -8.942 489 H SER 71 H SER 71 20.945 -8.798 -6.067 490 HA SER 71 HA SER 71 20.989 -6.332 -4.999 491 HB2 SER 71 1HB SER 71 23.118 -6.806 -4.065 492 HB3 SER 71 2HB SER 71 22.354 -8.378 -4.302 493 HG SER 71 HG SER 71 24.529 -8.325 -5.048 494 H SER 72 H SER 72 22.220 -4.420 -5.218 495 HA SER 72 HA SER 72 22.333 -3.264 -7.686 496 HB2 SER 72 1HB SER 72 22.624 -2.143 -5.421 497 HB3 SER 72 2HB SER 72 24.326 -2.595 -5.517 498 HG SER 72 HG SER 72 24.107 -0.540 -6.348 499 H GLY 73 H GLY 73 25.198 -4.521 -5.960 500 HA2 GLY 73 1HA GLY 73 26.265 -5.639 -8.391 501 HA3 GLY 73 2HA GLY 73 27.122 -4.200 -7.856 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -1.046 -29.293 5.027 2 HA2 GLY 1 1HA GLY 1 -2.618 -28.032 2.959 3 HA3 GLY 1 2HA GLY 1 -3.498 -28.286 4.459 4 H SER 2 H SER 2 -3.040 -25.751 3.389 5 HA SER 2 HA SER 2 -0.815 -24.573 4.828 6 HB2 SER 2 1HB SER 2 -2.971 -23.305 3.120 7 HB3 SER 2 2HB SER 2 -1.584 -22.452 3.798 8 HG SER 2 HG SER 2 -1.020 -23.028 1.746 9 H SER 3 H SER 3 -1.191 -22.633 6.196 10 HA SER 3 HA SER 3 -3.331 -23.204 8.092 11 HB2 SER 3 1HB SER 3 -2.123 -21.655 9.587 12 HB3 SER 3 2HB SER 3 -1.063 -22.927 8.979 13 HG SER 3 HG SER 3 -0.030 -20.934 8.810 14 H GLY 4 H GLY 4 -2.084 -20.486 6.175 15 HA2 GLY 4 1HA GLY 4 -4.650 -19.433 5.655 16 HA3 GLY 4 2HA GLY 4 -3.927 -18.550 6.992 17 H SER 5 H SER 5 -2.863 -16.780 6.439 18 HA SER 5 HA SER 5 -2.345 -16.121 3.726 19 HB2 SER 5 1HB SER 5 -1.612 -14.813 6.343 20 HB3 SER 5 2HB SER 5 -1.103 -14.147 4.791 21 HG SER 5 HG SER 5 -3.616 -14.226 5.955 22 H SER 6 H SER 6 -1.019 -17.911 3.066 23 HA SER 6 HA SER 6 1.407 -18.667 4.160 24 HB2 SER 6 1HB SER 6 0.285 -18.744 1.384 25 HB3 SER 6 2HB SER 6 1.973 -19.185 1.642 26 HG SER 6 HG SER 6 1.344 -20.999 2.488 27 H GLY 7 H GLY 7 0.889 -16.314 1.526 28 HA2 GLY 7 1HA GLY 7 3.357 -14.959 2.395 29 HA3 GLY 7 2HA GLY 7 3.120 -15.353 0.699 30 H VAL 8 H VAL 8 3.127 -12.840 2.649 31 HA VAL 8 HA VAL 8 0.821 -11.532 1.360 32 HB VAL 8 HB VAL 8 2.163 -10.799 3.966 33 HG11 VAL 8 1HG1 VAL 8 1.411 -8.785 3.011 34 HG12 VAL 8 2HG1 VAL 8 -0.073 -9.528 2.412 35 HG13 VAL 8 3HG1 VAL 8 0.145 -9.262 4.142 36 HG21 VAL 8 1HG2 VAL 8 0.318 -11.680 5.091 37 HG22 VAL 8 2HG2 VAL 8 -0.668 -11.732 3.630 38 HG23 VAL 8 3HG2 VAL 8 0.655 -12.879 3.842 39 H CYS 9 H CYS 9 1.101 -9.555 0.375 40 HA CYS 9 HA CYS 9 3.848 -8.902 -0.334 41 HB2 CYS 9 1HB CYS 9 1.729 -9.067 -1.913 42 HB3 CYS 9 2HB CYS 9 1.506 -7.394 -1.415 43 HG CYS 9 HG CYS 9 3.813 -6.429 -2.489 44 H PHE 10 H PHE 10 4.747 -6.826 -0.125 45 HA PHE 10 HA PHE 10 3.321 -4.921 1.578 46 HB2 PHE 10 1HB PHE 10 6.049 -6.076 2.169 47 HB3 PHE 10 2HB PHE 10 5.430 -4.616 2.931 48 HD1 PHE 10 2HD PHE 10 4.981 -8.252 2.606 49 HD2 PHE 10 1HD PHE 10 3.821 -4.719 4.677 50 HE1 PHE 10 2HE PHE 10 3.869 -9.625 4.318 51 HE2 PHE 10 1HE PHE 10 2.708 -6.086 6.393 52 HZ PHE 10 HZ PHE 10 2.730 -8.542 6.214 53 H VAL 11 H VAL 11 3.813 -2.798 1.201 54 HA VAL 11 HA VAL 11 5.918 -2.239 -0.781 55 HB VAL 11 HB VAL 11 4.489 -0.545 -1.822 56 HG11 VAL 11 1HG1 VAL 11 3.922 -2.152 -3.242 57 HG12 VAL 11 2HG1 VAL 11 4.151 -3.362 -1.977 58 HG13 VAL 11 3HG1 VAL 11 2.574 -2.603 -2.199 59 HG21 VAL 11 1HG2 VAL 11 3.114 -0.256 0.330 60 HG22 VAL 11 2HG2 VAL 11 2.273 -0.130 -1.216 61 HG23 VAL 11 3HG2 VAL 11 2.156 -1.612 -0.267 62 H LYS 12 H LYS 12 6.912 -0.199 -0.639 63 HA LYS 12 HA LYS 12 6.591 1.089 1.985 64 HB2 LYS 12 1HB LYS 12 8.813 0.124 1.518 65 HB3 LYS 12 2HB LYS 12 8.952 1.149 0.095 66 HG2 LYS 12 1HG LYS 12 8.545 3.071 1.839 67 HG3 LYS 12 2HG LYS 12 9.145 1.861 2.975 68 HD2 LYS 12 1HD LYS 12 11.072 2.997 2.327 69 HD3 LYS 12 2HD LYS 12 11.080 1.562 1.299 70 HE2 LYS 12 1HE LYS 12 9.923 2.973 -0.452 71 HE3 LYS 12 2HE LYS 12 10.281 4.370 0.562 72 HZ1 LYS 12 1HZ LYS 12 12.009 4.225 -1.005 73 HZ2 LYS 12 2HZ LYS 12 12.204 2.560 -0.778 74 HZ3 LYS 12 3HZ LYS 12 12.668 3.640 0.439 75 H ALA 13 H ALA 13 5.947 3.148 2.124 76 HA ALA 13 HA ALA 13 4.999 4.516 -0.181 77 HB1 ALA 13 1HB ALA 13 3.766 4.951 1.736 78 HB2 ALA 13 2HB ALA 13 5.205 5.213 2.723 79 HB3 ALA 13 3HB ALA 13 4.718 6.423 1.536 80 H LEU 14 H LEU 14 6.552 5.100 -1.619 81 HA LEU 14 HA LEU 14 9.123 5.996 -1.062 82 HB2 LEU 14 1HB LEU 14 7.346 6.695 -3.394 83 HB3 LEU 14 2HB LEU 14 9.085 6.975 -3.329 84 HG LEU 14 HG LEU 14 8.030 4.201 -2.981 85 HD11 LEU 14 1HD1 LEU 14 8.418 5.583 -5.632 86 HD12 LEU 14 2HD1 LEU 14 6.882 5.037 -4.960 87 HD13 LEU 14 3HD1 LEU 14 8.121 3.861 -5.397 88 HD21 LEU 14 1HD2 LEU 14 10.238 3.995 -4.462 89 HD22 LEU 14 2HD2 LEU 14 10.280 4.101 -2.702 90 HD23 LEU 14 3HD2 LEU 14 10.578 5.539 -3.680 91 H TYR 15 H TYR 15 6.097 7.781 -1.273 92 HA TYR 15 HA TYR 15 7.494 10.129 -0.178 93 HB2 TYR 15 1HB TYR 15 5.246 10.230 -2.199 94 HB3 TYR 15 2HB TYR 15 6.104 11.607 -1.516 95 HD1 TYR 15 1HD TYR 15 6.351 8.760 -3.833 96 HD2 TYR 15 2HD TYR 15 8.277 12.242 -2.326 97 HE1 TYR 15 1HE TYR 15 7.978 8.649 -5.674 98 HE2 TYR 15 2HE TYR 15 9.909 12.141 -4.163 99 HH TYR 15 HH TYR 15 9.688 9.652 -6.684 100 H ASP 16 H ASP 16 6.235 11.484 1.184 101 HA ASP 16 HA ASP 16 4.497 10.092 2.915 102 HB2 ASP 16 1HB ASP 16 4.055 12.421 3.856 103 HB3 ASP 16 2HB ASP 16 5.731 11.879 3.855 104 H TYR 17 H TYR 17 2.424 9.616 2.672 105 HA TYR 17 HA TYR 17 0.845 11.136 0.718 106 HB2 TYR 17 1HB TYR 17 1.069 8.657 0.423 107 HB3 TYR 17 2HB TYR 17 0.206 8.446 1.943 108 HD1 TYR 17 1HD TYR 17 -2.125 9.685 2.066 109 HD2 TYR 17 2HD TYR 17 -0.141 8.625 -1.545 110 HE1 TYR 17 1HE TYR 17 -4.270 9.781 0.867 111 HE2 TYR 17 2HE TYR 17 -2.281 8.720 -2.755 112 HH TYR 17 HH TYR 17 -4.514 9.881 -2.457 113 H GLU 18 H GLU 18 -0.736 12.436 1.372 114 HA GLU 18 HA GLU 18 -1.565 12.303 4.190 115 HB2 GLU 18 1HB GLU 18 -1.473 14.560 2.202 116 HB3 GLU 18 2HB GLU 18 -2.431 14.671 3.672 117 HG2 GLU 18 1HG GLU 18 0.545 14.279 3.486 118 HG3 GLU 18 2HG GLU 18 -0.304 15.733 4.008 119 H GLY 19 H GLY 19 -3.314 11.009 4.297 120 HA2 GLY 19 1HA GLY 19 -5.280 10.835 2.239 121 HA3 GLY 19 2HA GLY 19 -5.401 10.144 3.850 122 H GLN 20 H GLN 20 -6.695 12.376 1.768 123 HA GLN 20 HA GLN 20 -7.351 14.524 3.456 124 HB2 GLN 20 1HB GLN 20 -8.883 13.450 1.082 125 HB3 GLN 20 2HB GLN 20 -9.109 15.033 1.814 126 HG2 GLN 20 1HG GLN 20 -6.579 14.067 0.501 127 HG3 GLN 20 2HG GLN 20 -7.777 15.127 -0.238 128 HE21 GLN 20 1HE2 GLN 20 -7.459 17.227 -0.056 129 HE22 GLN 20 2HE2 GLN 20 -6.421 18.001 1.088 130 H THR 21 H THR 21 -8.927 11.433 2.859 131 HA THR 21 HA THR 21 -10.736 12.005 5.113 132 HB THR 21 HB THR 21 -12.467 10.622 4.018 133 HG1 THR 21 1HG THR 21 -11.850 9.444 2.381 134 HG21 THR 21 1HG2 THR 21 -12.506 13.065 3.763 135 HG22 THR 21 2HG2 THR 21 -13.145 12.254 2.333 136 HG23 THR 21 3HG2 THR 21 -11.514 12.925 2.312 137 H ASP 22 H ASP 22 -11.474 10.113 6.285 138 HA ASP 22 HA ASP 22 -9.471 8.422 7.116 139 HB2 ASP 22 1HB ASP 22 -12.464 8.018 7.174 140 HB3 ASP 22 2HB ASP 22 -11.327 6.966 8.012 141 H ASP 23 H ASP 23 -11.965 7.788 4.675 142 HA ASP 23 HA ASP 23 -11.582 5.166 4.090 143 HB2 ASP 23 1HB ASP 23 -11.955 7.443 2.136 144 HB3 ASP 23 2HB ASP 23 -12.120 5.742 1.710 145 H GLU 24 H GLU 24 -9.523 7.852 3.065 146 HA GLU 24 HA GLU 24 -7.762 6.162 1.548 147 HB2 GLU 24 1HB GLU 24 -7.637 9.046 2.413 148 HB3 GLU 24 2HB GLU 24 -6.312 8.270 1.555 149 HG2 GLU 24 1HG GLU 24 -9.114 8.325 0.483 150 HG3 GLU 24 2HG GLU 24 -7.946 9.606 0.166 151 H LEU 25 H LEU 25 -5.276 6.586 2.093 152 HA LEU 25 HA LEU 25 -4.903 5.962 4.948 153 HB2 LEU 25 1HB LEU 25 -4.630 4.107 3.107 154 HB3 LEU 25 2HB LEU 25 -3.060 4.873 2.875 155 HG LEU 25 HG LEU 25 -2.596 4.470 5.301 156 HD11 LEU 25 1HD1 LEU 25 -4.026 3.397 6.681 157 HD12 LEU 25 2HD1 LEU 25 -4.708 2.408 5.391 158 HD13 LEU 25 3HD1 LEU 25 -5.229 4.081 5.588 159 HD21 LEU 25 1HD2 LEU 25 -1.629 3.008 3.673 160 HD22 LEU 25 2HD2 LEU 25 -3.139 2.112 3.504 161 HD23 LEU 25 3HD2 LEU 25 -2.223 2.021 5.009 162 H SER 26 H SER 26 -3.313 7.017 6.005 163 HA SER 26 HA SER 26 -1.626 8.838 4.415 164 HB2 SER 26 1HB SER 26 -1.689 10.417 6.233 165 HB3 SER 26 2HB SER 26 -3.350 9.945 5.873 166 HG SER 26 HG SER 26 -3.095 9.845 8.074 167 H PHE 27 H PHE 27 0.421 8.220 4.373 168 HA PHE 27 HA PHE 27 1.631 7.162 6.832 169 HB2 PHE 27 1HB PHE 27 3.038 5.758 5.046 170 HB3 PHE 27 2HB PHE 27 1.545 5.148 5.752 171 HD1 PHE 27 2HD PHE 27 2.898 6.937 2.799 172 HD2 PHE 27 1HD PHE 27 -0.263 4.579 4.400 173 HE1 PHE 27 2HE PHE 27 1.934 6.707 0.548 174 HE2 PHE 27 1HE PHE 27 -1.232 4.344 2.151 175 HZ PHE 27 HZ PHE 27 -0.134 5.410 0.221 176 HA PRO 28 HA PRO 28 4.774 10.140 6.064 177 HB2 PRO 28 1HB PRO 28 6.814 9.006 7.450 178 HB3 PRO 28 2HB PRO 28 5.436 9.785 8.235 179 HG2 PRO 28 1HG PRO 28 5.940 6.876 7.745 180 HG3 PRO 28 2HG PRO 28 5.309 7.673 9.198 181 HD2 PRO 28 1HD PRO 28 3.706 6.419 7.412 182 HD3 PRO 28 2HD PRO 28 3.179 7.842 8.333 183 H GLU 29 H GLU 29 6.962 10.370 5.159 184 HA GLU 29 HA GLU 29 7.279 8.899 2.783 185 HB2 GLU 29 1HB GLU 29 8.113 11.140 2.887 186 HB3 GLU 29 2HB GLU 29 9.148 10.755 4.254 187 HG2 GLU 29 1HG GLU 29 10.319 9.122 2.680 188 HG3 GLU 29 2HG GLU 29 9.471 9.963 1.384 189 H GLY 30 H GLY 30 7.544 6.726 3.033 190 HA2 GLY 30 1HA GLY 30 9.278 5.041 3.004 191 HA3 GLY 30 2HA GLY 30 10.053 5.888 4.334 192 H ALA 31 H ALA 31 6.686 4.844 3.859 193 HA ALA 31 HA ALA 31 6.921 3.315 6.369 194 HB1 ALA 31 1HB ALA 31 4.923 4.086 7.090 195 HB2 ALA 31 2HB ALA 31 5.320 5.436 6.027 196 HB3 ALA 31 3HB ALA 31 4.240 4.160 5.465 197 H ILE 32 H ILE 32 6.412 1.207 6.343 198 HA ILE 32 HA ILE 32 5.875 -0.061 3.820 199 HB ILE 32 HB ILE 32 5.958 -1.347 6.549 200 HG12 ILE 32 1HG1 ILE 32 8.018 0.011 5.875 201 HG13 ILE 32 2HG1 ILE 32 8.285 -1.677 6.295 202 HG21 ILE 32 1HG2 ILE 32 5.966 -2.364 3.743 203 HG22 ILE 32 2HG2 ILE 32 6.792 -3.275 5.006 204 HG23 ILE 32 3HG2 ILE 32 5.067 -2.942 5.146 205 HD11 ILE 32 1HD1 ILE 32 9.335 -0.533 4.137 206 HD12 ILE 32 2HD1 ILE 32 8.894 -2.240 4.196 207 HD13 ILE 32 3HD1 ILE 32 7.805 -1.074 3.445 208 H ILE 33 H ILE 33 4.057 -1.204 3.210 209 HA ILE 33 HA ILE 33 1.697 -0.977 4.952 210 HB ILE 33 HB ILE 33 1.720 -0.444 1.979 211 HG12 ILE 33 1HG1 ILE 33 1.035 1.483 4.197 212 HG13 ILE 33 2HG1 ILE 33 2.658 1.352 3.528 213 HG21 ILE 33 1HG2 ILE 33 -0.383 -1.233 2.185 214 HG22 ILE 33 2HG2 ILE 33 -0.425 -0.973 3.928 215 HG23 ILE 33 3HG2 ILE 33 -0.698 0.378 2.828 216 HD11 ILE 33 1HD1 ILE 33 1.335 1.694 1.259 217 HD12 ILE 33 2HD1 ILE 33 0.202 2.496 2.346 218 HD13 ILE 33 3HD1 ILE 33 1.874 3.047 2.252 219 H ARG 34 H ARG 34 0.385 -2.730 5.015 220 HA ARG 34 HA ARG 34 1.334 -5.127 3.667 221 HB2 ARG 34 1HB ARG 34 0.838 -5.234 6.066 222 HB3 ARG 34 2HB ARG 34 -0.825 -4.759 5.750 223 HG2 ARG 34 1HG ARG 34 -0.935 -6.856 4.275 224 HG3 ARG 34 2HG ARG 34 0.542 -7.342 5.110 225 HD2 ARG 34 1HD ARG 34 -2.076 -6.640 6.434 226 HD3 ARG 34 2HD ARG 34 -1.468 -8.274 6.168 227 HE ARG 34 HE ARG 34 0.332 -6.592 7.651 228 HH11 ARG 34 2HH1 ARG 34 -2.388 -8.756 7.847 229 HH12 ARG 34 1HH1 ARG 34 -2.097 -9.181 9.501 230 HH21 ARG 34 2HH2 ARG 34 0.726 -7.144 9.828 231 HH22 ARG 34 1HH2 ARG 34 -0.325 -8.263 10.627 232 H ILE 35 H ILE 35 0.624 -5.380 1.644 233 HA ILE 35 HA ILE 35 -1.770 -4.302 0.617 234 HB ILE 35 HB ILE 35 -0.117 -6.589 -0.462 235 HG12 ILE 35 1HG1 ILE 35 1.174 -4.521 -0.208 236 HG13 ILE 35 2HG1 ILE 35 0.895 -4.876 -1.909 237 HG21 ILE 35 1HG2 ILE 35 -2.573 -6.170 -1.261 238 HG22 ILE 35 2HG2 ILE 35 -1.840 -4.834 -2.147 239 HG23 ILE 35 3HG2 ILE 35 -1.295 -6.486 -2.433 240 HD11 ILE 35 1HD1 ILE 35 0.303 -2.514 -0.481 241 HD12 ILE 35 2HD1 ILE 35 0.017 -2.871 -2.185 242 HD13 ILE 35 3HD1 ILE 35 -1.225 -3.234 -0.987 243 H LEU 36 H LEU 36 -3.597 -4.882 1.703 244 HA LEU 36 HA LEU 36 -4.150 -7.608 2.421 245 HB2 LEU 36 1HB LEU 36 -5.955 -5.193 2.408 246 HB3 LEU 36 2HB LEU 36 -6.319 -6.746 3.157 247 HG LEU 36 HG LEU 36 -3.988 -5.043 4.006 248 HD11 LEU 36 1HD1 LEU 36 -6.689 -5.115 5.327 249 HD12 LEU 36 2HD1 LEU 36 -6.192 -3.845 4.209 250 HD13 LEU 36 3HD1 LEU 36 -5.313 -4.085 5.719 251 HD21 LEU 36 1HD2 LEU 36 -5.504 -7.271 5.361 252 HD22 LEU 36 2HD2 LEU 36 -4.151 -6.373 6.049 253 HD23 LEU 36 3HD2 LEU 36 -3.902 -7.399 4.636 254 H ASN 37 H ASN 37 -5.659 -5.299 0.159 255 HA ASN 37 HA ASN 37 -6.531 -7.606 -1.452 256 HB2 ASN 37 1HB ASN 37 -8.055 -5.179 -0.584 257 HB3 ASN 37 2HB ASN 37 -8.440 -5.927 -2.132 258 HD21 ASN 37 1HD2 ASN 37 -8.202 -6.499 1.324 259 HD22 ASN 37 2HD2 ASN 37 -9.328 -7.809 1.372 260 H LYS 38 H LYS 38 -5.703 -7.613 -3.427 261 HA LYS 38 HA LYS 38 -4.399 -5.228 -4.456 262 HB2 LYS 38 1HB LYS 38 -4.416 -8.127 -5.221 263 HB3 LYS 38 2HB LYS 38 -3.845 -6.922 -6.367 264 HG2 LYS 38 1HG LYS 38 -2.397 -6.158 -4.291 265 HG3 LYS 38 2HG LYS 38 -2.640 -7.842 -3.819 266 HD2 LYS 38 1HD LYS 38 -0.740 -8.069 -5.065 267 HD3 LYS 38 2HD LYS 38 -1.946 -8.268 -6.338 268 HE2 LYS 38 1HE LYS 38 -0.488 -6.735 -7.273 269 HE3 LYS 38 2HE LYS 38 -1.737 -5.696 -6.589 270 HZ1 LYS 38 1HZ LYS 38 -0.297 -4.795 -5.169 271 HZ2 LYS 38 2HZ LYS 38 0.921 -5.466 -6.132 272 HZ3 LYS 38 3HZ LYS 38 0.390 -6.283 -4.750 273 H GLU 39 H GLU 39 -7.151 -4.926 -4.326 274 HA GLU 39 HA GLU 39 -8.519 -5.586 -6.697 275 HB2 GLU 39 1HB GLU 39 -8.936 -3.521 -4.560 276 HB3 GLU 39 2HB GLU 39 -9.950 -3.530 -5.996 277 HG2 GLU 39 1HG GLU 39 -10.964 -5.509 -5.439 278 HG3 GLU 39 2HG GLU 39 -9.607 -6.053 -4.456 279 H ASN 40 H ASN 40 -7.163 -5.127 -8.449 280 HA ASN 40 HA ASN 40 -6.789 -2.258 -9.012 281 HB2 ASN 40 1HB ASN 40 -4.724 -3.802 -8.740 282 HB3 ASN 40 2HB ASN 40 -5.176 -4.433 -10.321 283 HD21 ASN 40 1HD2 ASN 40 -4.867 -1.267 -8.741 284 HD22 ASN 40 2HD2 ASN 40 -4.012 -0.515 -10.040 285 H GLN 41 H GLN 41 -7.673 -5.398 -10.351 286 HA GLN 41 HA GLN 41 -8.051 -5.043 -12.963 287 HB2 GLN 41 1HB GLN 41 -8.835 -7.001 -11.584 288 HB3 GLN 41 2HB GLN 41 -10.288 -6.079 -11.221 289 HG2 GLN 41 1HG GLN 41 -10.771 -7.594 -12.998 290 HG3 GLN 41 2HG GLN 41 -10.758 -5.956 -13.649 291 HE21 GLN 41 1HE2 GLN 41 -10.085 -6.133 -15.671 292 HE22 GLN 41 2HE2 GLN 41 -8.664 -6.965 -16.192 293 H ASP 42 H ASP 42 -10.117 -3.618 -10.473 294 HA ASP 42 HA ASP 42 -11.969 -2.432 -12.260 295 HB2 ASP 42 1HB ASP 42 -11.263 -1.962 -9.374 296 HB3 ASP 42 2HB ASP 42 -12.414 -0.920 -10.206 297 H ASP 43 H ASP 43 -12.061 -0.414 -13.156 298 HA ASP 43 HA ASP 43 -9.788 0.853 -14.008 299 HB2 ASP 43 1HB ASP 43 -12.591 1.867 -13.607 300 HB3 ASP 43 2HB ASP 43 -11.327 2.920 -14.238 301 H ASP 44 H ASP 44 -11.197 0.982 -10.891 302 HA ASP 44 HA ASP 44 -10.480 3.454 -9.912 303 HB2 ASP 44 1HB ASP 44 -11.646 1.407 -8.764 304 HB3 ASP 44 2HB ASP 44 -10.012 1.017 -8.232 305 H GLY 45 H GLY 45 -8.489 0.511 -9.530 306 HA2 GLY 45 1HA GLY 45 -6.193 0.264 -9.733 307 HA3 GLY 45 2HA GLY 45 -6.089 1.947 -10.230 308 H PHE 46 H PHE 46 -7.556 0.748 -7.257 309 HA PHE 46 HA PHE 46 -5.401 2.080 -5.751 310 HB2 PHE 46 1HB PHE 46 -8.376 2.123 -5.355 311 HB3 PHE 46 2HB PHE 46 -7.298 2.369 -3.985 312 HD1 PHE 46 2HD PHE 46 -7.586 3.577 -7.508 313 HD2 PHE 46 1HD PHE 46 -6.903 4.547 -3.421 314 HE1 PHE 46 2HE PHE 46 -7.369 5.952 -8.112 315 HE2 PHE 46 1HE PHE 46 -6.686 6.924 -4.018 316 HZ PHE 46 HZ PHE 46 -6.918 7.629 -6.366 317 H TRP 47 H TRP 47 -4.786 1.155 -3.765 318 HA TRP 47 HA TRP 47 -5.596 -1.662 -3.456 319 HB2 TRP 47 1HB TRP 47 -2.938 -0.306 -3.051 320 HB3 TRP 47 2HB TRP 47 -3.300 -1.858 -2.302 321 HD1 TRP 47 HD TRP 47 -5.051 -2.530 -5.200 322 HE1 TRP 47 1HE TRP 47 -3.623 -3.515 -7.102 323 HE3 TRP 47 3HE TRP 47 -0.416 -1.176 -3.520 324 HZ2 TRP 47 2HZ TRP 47 -0.893 -3.695 -7.797 325 HZ3 TRP 47 3HZ TRP 47 1.552 -1.794 -4.862 326 HH2 TRP 47 HH TRP 47 1.316 -3.028 -6.955 327 H GLU 48 H GLU 48 -5.626 -2.518 -1.284 328 HA GLU 48 HA GLU 48 -6.121 -0.444 0.751 329 HB2 GLU 48 1HB GLU 48 -8.175 -1.633 -0.039 330 HB3 GLU 48 2HB GLU 48 -7.482 -3.135 0.557 331 HG2 GLU 48 1HG GLU 48 -7.340 -1.980 2.820 332 HG3 GLU 48 2HG GLU 48 -8.396 -0.751 2.127 333 H GLY 49 H GLY 49 -4.809 -0.512 2.447 334 HA2 GLY 49 1HA GLY 49 -3.829 -3.092 3.416 335 HA3 GLY 49 2HA GLY 49 -2.624 -1.913 2.916 336 H GLU 50 H GLU 50 -2.686 -2.916 5.495 337 HA GLU 50 HA GLU 50 -3.817 -0.718 7.086 338 HB2 GLU 50 1HB GLU 50 -4.409 -3.140 7.612 339 HB3 GLU 50 2HB GLU 50 -2.746 -3.326 8.151 340 HG2 GLU 50 1HG GLU 50 -3.065 -1.644 9.850 341 HG3 GLU 50 2HG GLU 50 -4.699 -1.329 9.271 342 H PHE 51 H PHE 51 -2.546 0.568 8.331 343 HA PHE 51 HA PHE 51 0.306 -0.050 8.547 344 HB2 PHE 51 1HB PHE 51 0.286 1.356 6.624 345 HB3 PHE 51 2HB PHE 51 -0.858 2.470 7.365 346 HD1 PHE 51 2HD PHE 51 2.421 0.996 8.378 347 HD2 PHE 51 1HD PHE 51 0.077 4.505 7.823 348 HE1 PHE 51 2HE PHE 51 4.293 2.370 9.189 349 HE2 PHE 51 1HE PHE 51 1.946 5.885 8.633 350 HZ PHE 51 HZ PHE 51 4.057 4.818 9.319 351 H ASN 52 H ASN 52 1.154 0.454 10.481 352 HA ASN 52 HA ASN 52 1.060 0.876 12.740 353 HB2 ASN 52 1HB ASN 52 1.714 3.061 11.452 354 HB3 ASN 52 2HB ASN 52 0.140 3.632 11.999 355 HD21 ASN 52 1HD2 ASN 52 3.368 3.342 12.761 356 HD22 ASN 52 2HD2 ASN 52 3.275 3.682 14.452 357 H GLY 53 H GLY 53 -1.417 -0.185 11.698 358 HA2 GLY 53 1HA GLY 53 -3.443 -0.700 12.701 359 HA3 GLY 53 2HA GLY 53 -3.123 0.536 13.908 360 H ARG 54 H ARG 54 -3.200 0.941 10.398 361 HA ARG 54 HA ARG 54 -5.711 2.434 10.635 362 HB2 ARG 54 1HB ARG 54 -3.119 3.478 9.506 363 HB3 ARG 54 2HB ARG 54 -4.676 4.173 9.077 364 HG2 ARG 54 1HG ARG 54 -4.943 4.294 11.703 365 HG3 ARG 54 2HG ARG 54 -3.179 4.296 11.633 366 HD2 ARG 54 1HD ARG 54 -3.100 6.301 10.474 367 HD3 ARG 54 2HD ARG 54 -4.751 6.136 9.878 368 HE ARG 54 HE ARG 54 -4.669 6.392 12.714 369 HH11 ARG 54 2HH1 ARG 54 -4.476 8.189 9.739 370 HH12 ARG 54 1HH1 ARG 54 -5.043 9.667 10.443 371 HH21 ARG 54 2HH2 ARG 54 -5.417 8.332 13.652 372 HH22 ARG 54 1HH2 ARG 54 -5.577 9.748 12.669 373 H ILE 55 H ILE 55 -7.105 1.832 9.118 374 HA ILE 55 HA ILE 55 -6.080 0.412 6.759 375 HB ILE 55 HB ILE 55 -8.865 0.415 7.929 376 HG12 ILE 55 1HG1 ILE 55 -6.819 -1.810 7.883 377 HG13 ILE 55 2HG1 ILE 55 -7.087 -0.758 9.268 378 HG21 ILE 55 1HG2 ILE 55 -9.566 -0.946 6.232 379 HG22 ILE 55 2HG2 ILE 55 -8.396 0.044 5.362 380 HG23 ILE 55 3HG2 ILE 55 -7.947 -1.569 5.914 381 HD11 ILE 55 1HD1 ILE 55 -8.225 -3.058 9.212 382 HD12 ILE 55 2HD1 ILE 55 -9.177 -1.655 9.700 383 HD13 ILE 55 3HD1 ILE 55 -9.342 -2.310 8.071 384 H GLY 56 H GLY 56 -6.219 1.308 4.807 385 HA2 GLY 56 1HA GLY 56 -8.371 3.110 4.121 386 HA3 GLY 56 2HA GLY 56 -6.800 3.889 4.232 387 H VAL 57 H VAL 57 -7.310 4.357 1.930 388 HA VAL 57 HA VAL 57 -6.412 2.124 0.228 389 HB VAL 57 HB VAL 57 -7.776 3.006 -1.604 390 HG11 VAL 57 1HG1 VAL 57 -10.056 2.768 -0.070 391 HG12 VAL 57 2HG1 VAL 57 -9.154 1.442 -0.807 392 HG13 VAL 57 3HG1 VAL 57 -8.838 1.903 0.867 393 HG21 VAL 57 1HG2 VAL 57 -7.770 5.360 -0.331 394 HG22 VAL 57 2HG2 VAL 57 -8.984 4.924 -1.533 395 HG23 VAL 57 3HG2 VAL 57 -9.346 4.761 0.185 396 H PHE 58 H PHE 58 -5.225 2.736 -1.680 397 HA PHE 58 HA PHE 58 -4.189 5.460 -1.766 398 HB2 PHE 58 1HB PHE 58 -1.829 4.359 -2.021 399 HB3 PHE 58 2HB PHE 58 -2.489 4.647 -0.415 400 HD1 PHE 58 2HD PHE 58 -4.006 2.603 0.452 401 HD2 PHE 58 1HD PHE 58 -0.841 2.331 -2.382 402 HE1 PHE 58 2HE PHE 58 -3.734 0.218 0.990 403 HE2 PHE 58 1HE PHE 58 -0.565 -0.056 -1.848 404 HZ PHE 58 HZ PHE 58 -2.012 -1.114 -0.160 405 HA PRO 59 HA PRO 59 -4.192 4.871 -6.112 406 HB2 PRO 59 1HB PRO 59 -2.056 6.357 -6.887 407 HB3 PRO 59 2HB PRO 59 -3.565 7.072 -6.307 408 HG2 PRO 59 1HG PRO 59 -1.000 6.609 -4.835 409 HG3 PRO 59 2HG PRO 59 -2.062 8.029 -4.812 410 HD2 PRO 59 1HD PRO 59 -2.079 6.165 -2.848 411 HD3 PRO 59 2HD PRO 59 -3.536 7.059 -3.328 412 H SER 60 H SER 60 -1.764 3.596 -4.187 413 HA SER 60 HA SER 60 -0.119 2.048 -4.484 414 HB2 SER 60 1HB SER 60 -0.658 0.212 -5.866 415 HB3 SER 60 2HB SER 60 -2.221 0.888 -5.408 416 HG SER 60 HG SER 60 -2.541 1.555 -7.410 417 H VAL 61 H VAL 61 0.240 4.671 -5.718 418 HA VAL 61 HA VAL 61 2.127 3.914 -7.855 419 HB VAL 61 HB VAL 61 1.777 6.053 -8.920 420 HG11 VAL 61 1HG1 VAL 61 -1.005 5.644 -8.861 421 HG12 VAL 61 2HG1 VAL 61 0.156 5.026 -10.038 422 HG13 VAL 61 3HG1 VAL 61 -0.261 4.064 -8.619 423 HG21 VAL 61 1HG2 VAL 61 1.375 7.484 -7.057 424 HG22 VAL 61 2HG2 VAL 61 -0.048 7.561 -8.095 425 HG23 VAL 61 3HG2 VAL 61 -0.086 6.600 -6.617 426 H LEU 62 H LEU 62 1.559 5.687 -4.931 427 HA LEU 62 HA LEU 62 4.164 6.991 -5.047 428 HB2 LEU 62 1HB LEU 62 2.002 7.089 -2.948 429 HB3 LEU 62 2HB LEU 62 3.481 8.047 -2.936 430 HG LEU 62 HG LEU 62 1.390 8.241 -5.098 431 HD11 LEU 62 1HD1 LEU 62 1.499 9.422 -2.404 432 HD12 LEU 62 2HD1 LEU 62 0.123 9.139 -3.470 433 HD13 LEU 62 3HD1 LEU 62 1.158 10.544 -3.722 434 HD21 LEU 62 1HD2 LEU 62 3.159 10.496 -4.482 435 HD22 LEU 62 2HD2 LEU 62 2.676 9.822 -6.038 436 HD23 LEU 62 3HD2 LEU 62 3.980 9.070 -5.118 437 H VAL 63 H VAL 63 3.556 3.995 -4.639 438 HA VAL 63 HA VAL 63 5.346 3.671 -2.323 439 HB VAL 63 HB VAL 63 4.202 1.665 -1.647 440 HG11 VAL 63 1HG1 VAL 63 1.818 2.701 -1.312 441 HG12 VAL 63 2HG1 VAL 63 3.224 3.409 -0.515 442 HG13 VAL 63 3HG1 VAL 63 2.579 4.143 -1.984 443 HG21 VAL 63 1HG2 VAL 63 2.933 0.456 -3.015 444 HG22 VAL 63 2HG2 VAL 63 1.837 1.813 -3.275 445 HG23 VAL 63 3HG2 VAL 63 3.268 1.630 -4.288 446 H GLU 64 H GLU 64 6.629 1.698 -2.355 447 HA GLU 64 HA GLU 64 7.072 0.677 -5.084 448 HB2 GLU 64 1HB GLU 64 9.422 0.698 -4.758 449 HB3 GLU 64 2HB GLU 64 8.841 2.273 -4.234 450 HG2 GLU 64 1HG GLU 64 9.142 1.763 -1.974 451 HG3 GLU 64 2HG GLU 64 9.268 0.034 -2.291 452 H GLU 65 H GLU 65 7.563 -1.493 -5.311 453 HA GLU 65 HA GLU 65 6.593 -3.206 -3.232 454 HB2 GLU 65 1HB GLU 65 7.731 -3.681 -5.975 455 HB3 GLU 65 2HB GLU 65 7.390 -5.019 -4.887 456 HG2 GLU 65 1HG GLU 65 5.080 -4.548 -4.869 457 HG3 GLU 65 2HG GLU 65 5.321 -2.976 -5.629 458 H LEU 66 H LEU 66 7.707 -4.622 -1.943 459 HA LEU 66 HA LEU 66 10.537 -4.044 -1.588 460 HB2 LEU 66 1HB LEU 66 8.582 -5.659 0.038 461 HB3 LEU 66 2HB LEU 66 10.282 -5.454 0.456 462 HG LEU 66 HG LEU 66 8.487 -3.075 0.135 463 HD11 LEU 66 1HD1 LEU 66 8.801 -3.766 2.880 464 HD12 LEU 66 2HD1 LEU 66 8.083 -5.131 2.025 465 HD13 LEU 66 3HD1 LEU 66 7.316 -3.545 1.954 466 HD21 LEU 66 1HD2 LEU 66 11.114 -3.685 1.427 467 HD22 LEU 66 2HD2 LEU 66 10.139 -2.327 1.989 468 HD23 LEU 66 3HD2 LEU 66 10.688 -2.385 0.313 469 H SER 67 H SER 67 12.177 -5.468 -1.903 470 HA SER 67 HA SER 67 11.805 -8.266 -2.252 471 HB2 SER 67 1HB SER 67 10.897 -7.492 -4.419 472 HB3 SER 67 2HB SER 67 12.422 -6.674 -4.753 473 HG SER 67 HG SER 67 12.441 -9.406 -4.121 474 H SER 68 H SER 68 13.771 -9.399 -2.432 475 HA SER 68 HA SER 68 16.110 -7.773 -1.741 476 HB2 SER 68 1HB SER 68 15.383 -9.618 -0.200 477 HB3 SER 68 2HB SER 68 15.778 -10.769 -1.477 478 HG SER 68 HG SER 68 17.532 -10.551 -0.082 479 H GLY 69 H GLY 69 18.184 -8.267 -2.667 480 HA2 GLY 69 1HA GLY 69 18.492 -10.035 -4.867 481 HA3 GLY 69 2HA GLY 69 18.213 -8.397 -5.440 482 HA PRO 70 HA PRO 70 22.705 -9.239 -3.901 483 HB2 PRO 70 1HB PRO 70 23.866 -10.237 -6.143 484 HB3 PRO 70 2HB PRO 70 23.161 -11.263 -4.889 485 HG2 PRO 70 1HG PRO 70 21.993 -10.397 -7.506 486 HG3 PRO 70 2HG PRO 70 21.954 -11.995 -6.737 487 HD2 PRO 70 1HD PRO 70 19.855 -10.286 -6.654 488 HD3 PRO 70 2HD PRO 70 20.219 -11.416 -5.334 489 H SER 71 H SER 71 21.631 -8.351 -7.174 490 HA SER 71 HA SER 71 23.681 -6.692 -7.944 491 HB2 SER 71 1HB SER 71 21.937 -7.189 -9.504 492 HB3 SER 71 2HB SER 71 20.713 -6.461 -8.464 493 HG SER 71 HG SER 71 21.919 -5.272 -10.388 494 H SER 72 H SER 72 24.600 -5.353 -6.476 495 HA SER 72 HA SER 72 23.288 -3.857 -4.521 496 HB2 SER 72 1HB SER 72 25.844 -4.349 -4.926 497 HB3 SER 72 2HB SER 72 25.795 -2.807 -5.780 498 HG SER 72 HG SER 72 25.426 -1.776 -3.941 499 H GLY 73 H GLY 73 24.473 -2.796 -7.715 500 HA2 GLY 73 1HA GLY 73 23.337 -0.191 -7.493 501 HA3 GLY 73 2HA GLY 73 23.968 -0.926 -8.959 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -8.421 -24.553 -9.465 2 HA2 GLY 1 1HA GLY 1 -6.338 -24.448 -8.189 3 HA3 GLY 1 2HA GLY 1 -6.405 -22.700 -8.358 4 H SER 2 H SER 2 -6.117 -22.782 -5.997 5 HA SER 2 HA SER 2 -8.697 -22.621 -4.691 6 HB2 SER 2 1HB SER 2 -7.698 -25.038 -4.496 7 HB3 SER 2 2HB SER 2 -6.641 -24.299 -3.294 8 HG SER 2 HG SER 2 -9.363 -23.755 -3.097 9 H SER 3 H SER 3 -8.265 -22.043 -2.247 10 HA SER 3 HA SER 3 -6.653 -19.664 -2.298 11 HB2 SER 3 1HB SER 3 -8.437 -20.945 -0.238 12 HB3 SER 3 2HB SER 3 -7.435 -19.550 0.161 13 HG SER 3 HG SER 3 -9.005 -19.409 -2.142 14 H GLY 4 H GLY 4 -4.569 -19.557 -1.817 15 HA2 GLY 4 1HA GLY 4 -3.247 -21.816 -0.566 16 HA3 GLY 4 2HA GLY 4 -2.469 -20.394 -1.244 17 H SER 5 H SER 5 -2.237 -21.862 1.392 18 HA SER 5 HA SER 5 -3.249 -20.228 3.450 19 HB2 SER 5 1HB SER 5 -0.878 -22.105 3.386 20 HB3 SER 5 2HB SER 5 -1.471 -21.328 4.854 21 HG SER 5 HG SER 5 -2.959 -22.794 4.953 22 H SER 6 H SER 6 0.068 -20.421 2.150 23 HA SER 6 HA SER 6 0.796 -17.951 3.461 24 HB2 SER 6 1HB SER 6 2.426 -19.788 3.273 25 HB3 SER 6 2HB SER 6 2.360 -19.667 1.515 26 HG SER 6 HG SER 6 2.914 -17.290 2.140 27 H GLY 7 H GLY 7 1.437 -16.031 2.423 28 HA2 GLY 7 1HA GLY 7 1.751 -15.279 -0.096 29 HA3 GLY 7 2HA GLY 7 0.016 -15.559 -0.084 30 H VAL 8 H VAL 8 2.548 -13.405 0.712 31 HA VAL 8 HA VAL 8 0.598 -11.371 1.440 32 HB VAL 8 HB VAL 8 2.019 -10.626 3.379 33 HG11 VAL 8 1HG1 VAL 8 -0.123 -12.180 3.368 34 HG12 VAL 8 2HG1 VAL 8 1.019 -13.342 4.047 35 HG13 VAL 8 3HG1 VAL 8 0.740 -11.800 4.858 36 HG21 VAL 8 1HG2 VAL 8 3.523 -12.985 2.542 37 HG22 VAL 8 2HG2 VAL 8 4.029 -11.604 3.516 38 HG23 VAL 8 3HG2 VAL 8 3.170 -12.948 4.270 39 H CYS 9 H CYS 9 1.360 -9.232 1.179 40 HA CYS 9 HA CYS 9 4.013 -8.940 -0.037 41 HB2 CYS 9 1HB CYS 9 2.204 -9.161 -1.799 42 HB3 CYS 9 2HB CYS 9 1.547 -7.643 -1.200 43 HG CYS 9 HG CYS 9 3.245 -6.035 -2.337 44 H PHE 10 H PHE 10 4.712 -6.655 -0.168 45 HA PHE 10 HA PHE 10 3.338 -4.790 1.582 46 HB2 PHE 10 1HB PHE 10 6.123 -5.805 2.183 47 HB3 PHE 10 2HB PHE 10 5.389 -4.402 2.952 48 HD1 PHE 10 2HD PHE 10 4.977 -8.054 2.458 49 HD2 PHE 10 1HD PHE 10 4.034 -4.648 4.830 50 HE1 PHE 10 2HE PHE 10 3.967 -9.520 4.156 51 HE2 PHE 10 1HE PHE 10 3.022 -6.109 6.532 52 HZ PHE 10 HZ PHE 10 2.987 -8.549 6.196 53 H VAL 11 H VAL 11 4.402 -2.638 1.587 54 HA VAL 11 HA VAL 11 6.286 -2.128 -0.562 55 HB VAL 11 HB VAL 11 4.885 -0.468 -1.679 56 HG11 VAL 11 1HG1 VAL 11 3.562 -3.174 -1.501 57 HG12 VAL 11 2HG1 VAL 11 3.339 -2.000 -2.799 58 HG13 VAL 11 3HG1 VAL 11 4.916 -2.748 -2.546 59 HG21 VAL 11 1HG2 VAL 11 2.289 -1.091 -0.882 60 HG22 VAL 11 2HG2 VAL 11 3.193 -0.906 0.621 61 HG23 VAL 11 3HG2 VAL 11 3.168 0.404 -0.560 62 H LYS 12 H LYS 12 7.337 -0.145 -0.389 63 HA LYS 12 HA LYS 12 6.922 1.225 2.177 64 HB2 LYS 12 1HB LYS 12 9.158 0.173 1.678 65 HB3 LYS 12 2HB LYS 12 9.355 1.356 0.392 66 HG2 LYS 12 1HG LYS 12 9.028 3.133 2.169 67 HG3 LYS 12 2HG LYS 12 9.212 1.835 3.352 68 HD2 LYS 12 1HD LYS 12 11.363 2.749 3.122 69 HD3 LYS 12 2HD LYS 12 11.393 1.278 2.146 70 HE2 LYS 12 1HE LYS 12 12.333 2.729 0.661 71 HE3 LYS 12 2HE LYS 12 10.635 2.960 0.249 72 HZ1 LYS 12 1HZ LYS 12 11.917 4.661 2.285 73 HZ2 LYS 12 2HZ LYS 12 10.562 4.986 1.327 74 HZ3 LYS 12 3HZ LYS 12 12.108 5.011 0.641 75 H ALA 13 H ALA 13 6.136 3.224 2.199 76 HA ALA 13 HA ALA 13 5.380 4.566 -0.178 77 HB1 ALA 13 1HB ALA 13 5.581 5.966 2.457 78 HB2 ALA 13 2HB ALA 13 4.370 6.138 1.185 79 HB3 ALA 13 3HB ALA 13 4.375 4.702 2.210 80 H LEU 14 H LEU 14 6.962 5.233 -1.521 81 HA LEU 14 HA LEU 14 9.504 6.122 -0.813 82 HB2 LEU 14 1HB LEU 14 7.855 6.851 -3.229 83 HB3 LEU 14 2HB LEU 14 9.589 7.120 -3.065 84 HG LEU 14 HG LEU 14 8.540 4.344 -2.786 85 HD11 LEU 14 1HD1 LEU 14 7.400 5.053 -4.765 86 HD12 LEU 14 2HD1 LEU 14 8.781 4.069 -5.249 87 HD13 LEU 14 3HD1 LEU 14 8.857 5.825 -5.390 88 HD21 LEU 14 1HD2 LEU 14 10.678 3.724 -3.472 89 HD22 LEU 14 2HD2 LEU 14 10.961 5.138 -2.457 90 HD23 LEU 14 3HD2 LEU 14 11.000 5.292 -4.214 91 H TYR 15 H TYR 15 6.464 7.841 -1.004 92 HA TYR 15 HA TYR 15 7.736 10.149 0.260 93 HB2 TYR 15 1HB TYR 15 5.797 10.559 -2.007 94 HB3 TYR 15 2HB TYR 15 6.859 11.740 -1.250 95 HD1 TYR 15 1HD TYR 15 6.745 8.839 -3.530 96 HD2 TYR 15 2HD TYR 15 9.113 12.014 -1.977 97 HE1 TYR 15 1HE TYR 15 8.435 8.422 -5.268 98 HE2 TYR 15 2HE TYR 15 10.809 11.607 -3.711 99 HH TYR 15 HH TYR 15 11.455 10.280 -5.378 100 H ASP 16 H ASP 16 6.507 11.093 1.796 101 HA ASP 16 HA ASP 16 4.417 9.824 3.012 102 HB2 ASP 16 1HB ASP 16 5.243 11.494 4.345 103 HB3 ASP 16 2HB ASP 16 5.394 12.632 3.009 104 H TYR 17 H TYR 17 2.188 9.920 2.962 105 HA TYR 17 HA TYR 17 1.003 11.311 0.651 106 HB2 TYR 17 1HB TYR 17 1.051 8.966 0.119 107 HB3 TYR 17 2HB TYR 17 0.389 8.541 1.694 108 HD1 TYR 17 1HD TYR 17 -1.966 9.667 2.212 109 HD2 TYR 17 2HD TYR 17 -0.388 9.005 -1.684 110 HE1 TYR 17 1HE TYR 17 -4.242 9.751 1.283 111 HE2 TYR 17 2HE TYR 17 -2.659 9.088 -2.624 112 HH TYR 17 HH TYR 17 -5.472 9.057 -0.638 113 H GLU 18 H GLU 18 -0.865 12.408 0.991 114 HA GLU 18 HA GLU 18 -1.867 12.458 3.757 115 HB2 GLU 18 1HB GLU 18 -2.806 14.709 3.092 116 HB3 GLU 18 2HB GLU 18 -1.052 14.607 3.165 117 HG2 GLU 18 1HG GLU 18 -0.815 14.722 0.873 118 HG3 GLU 18 2HG GLU 18 -2.461 14.169 0.572 119 H GLY 19 H GLY 19 -3.857 11.745 4.163 120 HA2 GLY 19 1HA GLY 19 -5.587 11.111 1.875 121 HA3 GLY 19 2HA GLY 19 -5.705 10.399 3.477 122 H GLN 20 H GLN 20 -7.115 12.530 1.383 123 HA GLN 20 HA GLN 20 -7.925 14.660 3.006 124 HB2 GLN 20 1HB GLN 20 -9.338 13.364 0.670 125 HB3 GLN 20 2HB GLN 20 -9.811 14.896 1.391 126 HG2 GLN 20 1HG GLN 20 -7.051 14.456 0.313 127 HG3 GLN 20 2HG GLN 20 -8.387 14.950 -0.726 128 HE21 GLN 20 1HE2 GLN 20 -9.149 17.015 -0.619 129 HE22 GLN 20 2HE2 GLN 20 -8.400 18.262 0.314 130 H THR 21 H THR 21 -9.249 11.429 2.588 131 HA THR 21 HA THR 21 -10.973 11.908 4.919 132 HB THR 21 HB THR 21 -12.785 10.610 3.921 133 HG1 THR 21 1HG THR 21 -10.934 10.372 1.802 134 HG21 THR 21 1HG2 THR 21 -12.606 12.397 1.692 135 HG22 THR 21 2HG2 THR 21 -11.977 13.198 3.132 136 HG23 THR 21 3HG2 THR 21 -13.607 12.526 3.138 137 H ASP 22 H ASP 22 -11.649 9.917 6.011 138 HA ASP 22 HA ASP 22 -9.616 8.275 6.762 139 HB2 ASP 22 1HB ASP 22 -12.587 7.887 6.730 140 HB3 ASP 22 2HB ASP 22 -11.544 6.562 7.242 141 H ASP 23 H ASP 23 -11.931 7.661 4.146 142 HA ASP 23 HA ASP 23 -11.357 5.135 3.377 143 HB2 ASP 23 1HB ASP 23 -11.435 7.295 1.287 144 HB3 ASP 23 2HB ASP 23 -12.115 5.671 1.222 145 H GLU 24 H GLU 24 -9.363 7.983 2.745 146 HA GLU 24 HA GLU 24 -7.406 6.488 1.251 147 HB2 GLU 24 1HB GLU 24 -7.339 9.299 2.359 148 HB3 GLU 24 2HB GLU 24 -6.113 8.608 1.306 149 HG2 GLU 24 1HG GLU 24 -7.526 8.576 -0.533 150 HG3 GLU 24 2HG GLU 24 -8.978 8.688 0.460 151 H LEU 25 H LEU 25 -5.027 6.772 1.951 152 HA LEU 25 HA LEU 25 -4.805 6.183 4.829 153 HB2 LEU 25 1HB LEU 25 -4.480 4.311 2.998 154 HB3 LEU 25 2HB LEU 25 -2.875 5.030 2.878 155 HG LEU 25 HG LEU 25 -2.622 4.626 5.348 156 HD11 LEU 25 1HD1 LEU 25 -4.173 3.544 6.585 157 HD12 LEU 25 2HD1 LEU 25 -4.745 2.577 5.226 158 HD13 LEU 25 3HD1 LEU 25 -5.271 4.251 5.399 159 HD21 LEU 25 1HD2 LEU 25 -3.046 2.246 3.544 160 HD22 LEU 25 2HD2 LEU 25 -2.171 2.219 5.075 161 HD23 LEU 25 3HD2 LEU 25 -1.559 3.178 3.726 162 H SER 26 H SER 26 -3.367 7.345 5.945 163 HA SER 26 HA SER 26 -1.530 9.073 4.424 164 HB2 SER 26 1HB SER 26 -1.670 10.679 6.191 165 HB3 SER 26 2HB SER 26 -3.322 10.180 5.830 166 HG SER 26 HG SER 26 -1.690 9.350 7.994 167 H PHE 27 H PHE 27 0.510 8.430 4.474 168 HA PHE 27 HA PHE 27 1.596 7.362 6.985 169 HB2 PHE 27 1HB PHE 27 3.062 5.935 5.270 170 HB3 PHE 27 2HB PHE 27 1.528 5.348 5.904 171 HD1 PHE 27 2HD PHE 27 2.957 7.244 3.040 172 HD2 PHE 27 1HD PHE 27 -0.129 4.672 4.445 173 HE1 PHE 27 2HE PHE 27 2.100 7.024 0.744 174 HE2 PHE 27 1HE PHE 27 -0.992 4.448 2.152 175 HZ PHE 27 HZ PHE 27 0.122 5.626 0.298 176 HA PRO 28 HA PRO 28 4.851 10.249 6.369 177 HB2 PRO 28 1HB PRO 28 6.852 9.009 7.720 178 HB3 PRO 28 2HB PRO 28 5.485 9.785 8.528 179 HG2 PRO 28 1HG PRO 28 5.927 6.888 7.915 180 HG3 PRO 28 2HG PRO 28 5.302 7.636 9.397 181 HD2 PRO 28 1HD PRO 28 3.686 6.499 7.545 182 HD3 PRO 28 2HD PRO 28 3.184 7.893 8.524 183 H GLU 29 H GLU 29 7.319 10.211 5.809 184 HA GLU 29 HA GLU 29 7.549 8.951 3.250 185 HB2 GLU 29 1HB GLU 29 8.471 11.199 3.732 186 HB3 GLU 29 2HB GLU 29 9.631 10.468 4.832 187 HG2 GLU 29 1HG GLU 29 10.487 9.134 2.891 188 HG3 GLU 29 2HG GLU 29 9.459 10.119 1.852 189 H GLY 30 H GLY 30 7.761 6.776 3.295 190 HA2 GLY 30 1HA GLY 30 9.346 4.982 3.262 191 HA3 GLY 30 2HA GLY 30 10.164 5.726 4.627 192 H ALA 31 H ALA 31 6.742 4.909 4.108 193 HA ALA 31 HA ALA 31 6.821 3.408 6.636 194 HB1 ALA 31 1HB ALA 31 4.196 4.023 5.475 195 HB2 ALA 31 2HB ALA 31 4.775 4.193 7.132 196 HB3 ALA 31 3HB ALA 31 5.156 5.430 5.934 197 H ILE 32 H ILE 32 5.972 1.341 6.779 198 HA ILE 32 HA ILE 32 5.809 -0.087 4.234 199 HB ILE 32 HB ILE 32 5.902 -1.245 7.020 200 HG12 ILE 32 1HG1 ILE 32 7.910 0.149 6.386 201 HG13 ILE 32 2HG1 ILE 32 8.259 -1.538 6.746 202 HG21 ILE 32 1HG2 ILE 32 6.606 -2.582 4.422 203 HG22 ILE 32 2HG2 ILE 32 6.348 -3.325 5.999 204 HG23 ILE 32 3HG2 ILE 32 4.986 -2.638 5.116 205 HD11 ILE 32 1HD1 ILE 32 7.752 -0.808 3.921 206 HD12 ILE 32 2HD1 ILE 32 9.280 -0.312 4.649 207 HD13 ILE 32 3HD1 ILE 32 8.837 -2.018 4.605 208 H ILE 33 H ILE 33 3.933 -0.697 3.395 209 HA ILE 33 HA ILE 33 1.585 -0.851 5.173 210 HB ILE 33 HB ILE 33 1.646 -0.074 2.254 211 HG12 ILE 33 1HG1 ILE 33 0.676 1.694 4.465 212 HG13 ILE 33 2HG1 ILE 33 2.408 1.552 4.186 213 HG21 ILE 33 1HG2 ILE 33 -0.809 0.414 3.734 214 HG22 ILE 33 2HG2 ILE 33 -0.567 -0.340 2.159 215 HG23 ILE 33 3HG2 ILE 33 -0.401 -1.299 3.629 216 HD11 ILE 33 1HD1 ILE 33 1.882 2.140 1.761 217 HD12 ILE 33 2HD1 ILE 33 0.300 2.638 2.361 218 HD13 ILE 33 3HD1 ILE 33 1.760 3.423 2.964 219 H ARG 34 H ARG 34 0.479 -2.708 5.218 220 HA ARG 34 HA ARG 34 1.451 -4.942 3.662 221 HB2 ARG 34 1HB ARG 34 0.846 -5.080 6.106 222 HB3 ARG 34 2HB ARG 34 -0.838 -4.909 5.629 223 HG2 ARG 34 1HG ARG 34 -0.651 -6.959 4.291 224 HG3 ARG 34 2HG ARG 34 1.020 -7.138 4.828 225 HD2 ARG 34 1HD ARG 34 -1.337 -7.000 6.699 226 HD3 ARG 34 2HD ARG 34 -0.659 -8.510 6.091 227 HE ARG 34 HE ARG 34 1.158 -8.235 7.487 228 HH11 ARG 34 2HH1 ARG 34 -0.796 -5.353 7.476 229 HH12 ARG 34 1HH1 ARG 34 0.016 -4.641 8.831 230 HH21 ARG 34 2HH2 ARG 34 2.235 -7.307 9.271 231 HH22 ARG 34 1HH2 ARG 34 1.741 -5.752 9.850 232 H ILE 35 H ILE 35 0.688 -5.414 1.719 233 HA ILE 35 HA ILE 35 -1.679 -4.221 0.666 234 HB ILE 35 HB ILE 35 0.022 -6.451 -0.456 235 HG12 ILE 35 1HG1 ILE 35 1.139 -4.221 -0.082 236 HG13 ILE 35 2HG1 ILE 35 1.123 -4.769 -1.754 237 HG21 ILE 35 1HG2 ILE 35 -1.060 -6.086 -2.552 238 HG22 ILE 35 2HG2 ILE 35 -2.312 -6.344 -1.338 239 HG23 ILE 35 3HG2 ILE 35 -1.961 -4.713 -1.910 240 HD11 ILE 35 1HD1 ILE 35 0.576 -2.313 -1.239 241 HD12 ILE 35 2HD1 ILE 35 -0.440 -3.185 -2.387 242 HD13 ILE 35 3HD1 ILE 35 -0.998 -2.929 -0.734 243 H LEU 36 H LEU 36 -3.533 -4.842 1.658 244 HA LEU 36 HA LEU 36 -4.063 -7.585 2.337 245 HB2 LEU 36 1HB LEU 36 -5.756 -5.098 2.385 246 HB3 LEU 36 2HB LEU 36 -6.354 -6.682 2.873 247 HG LEU 36 HG LEU 36 -3.964 -5.419 4.185 248 HD11 LEU 36 1HD1 LEU 36 -5.733 -3.813 4.430 249 HD12 LEU 36 2HD1 LEU 36 -5.522 -4.667 5.958 250 HD13 LEU 36 3HD1 LEU 36 -6.871 -5.076 4.898 251 HD21 LEU 36 1HD2 LEU 36 -4.407 -7.851 4.468 252 HD22 LEU 36 2HD2 LEU 36 -5.963 -7.439 5.190 253 HD23 LEU 36 3HD2 LEU 36 -4.465 -6.934 5.973 254 H ASN 37 H ASN 37 -5.426 -5.275 -0.006 255 HA ASN 37 HA ASN 37 -6.054 -7.515 -1.772 256 HB2 ASN 37 1HB ASN 37 -8.089 -5.405 -1.017 257 HB3 ASN 37 2HB ASN 37 -8.326 -6.703 -2.184 258 HD21 ASN 37 1HD2 ASN 37 -8.288 -5.815 1.126 259 HD22 ASN 37 2HD2 ASN 37 -8.789 -7.338 1.770 260 H LYS 38 H LYS 38 -5.057 -7.057 -3.611 261 HA LYS 38 HA LYS 38 -4.932 -4.249 -4.492 262 HB2 LYS 38 1HB LYS 38 -3.014 -5.114 -5.945 263 HB3 LYS 38 2HB LYS 38 -2.718 -4.998 -4.215 264 HG2 LYS 38 1HG LYS 38 -3.067 -7.380 -3.963 265 HG3 LYS 38 2HG LYS 38 -3.465 -7.523 -5.677 266 HD2 LYS 38 1HD LYS 38 -0.812 -6.756 -4.468 267 HD3 LYS 38 2HD LYS 38 -1.193 -8.219 -5.379 268 HE2 LYS 38 1HE LYS 38 -1.773 -6.676 -7.314 269 HE3 LYS 38 2HE LYS 38 -1.004 -5.390 -6.384 270 HZ1 LYS 38 1HZ LYS 38 1.012 -6.826 -6.309 271 HZ2 LYS 38 2HZ LYS 38 0.607 -6.279 -7.857 272 HZ3 LYS 38 3HZ LYS 38 0.259 -7.872 -7.405 273 H GLU 39 H GLU 39 -6.996 -6.490 -4.917 274 HA GLU 39 HA GLU 39 -6.937 -7.151 -7.675 275 HB2 GLU 39 1HB GLU 39 -9.307 -7.048 -5.800 276 HB3 GLU 39 2HB GLU 39 -9.255 -7.870 -7.353 277 HG2 GLU 39 1HG GLU 39 -7.391 -9.277 -6.426 278 HG3 GLU 39 2HG GLU 39 -7.746 -8.568 -4.852 279 H ASN 40 H ASN 40 -6.556 -5.219 -8.801 280 HA ASN 40 HA ASN 40 -8.444 -3.037 -8.583 281 HB2 ASN 40 1HB ASN 40 -6.022 -2.634 -8.978 282 HB3 ASN 40 2HB ASN 40 -6.174 -3.419 -10.547 283 HD21 ASN 40 1HD2 ASN 40 -7.495 -0.770 -8.615 284 HD22 ASN 40 2HD2 ASN 40 -7.776 0.294 -9.947 285 H GLN 41 H GLN 41 -9.895 -5.188 -9.237 286 HA GLN 41 HA GLN 41 -10.177 -5.521 -12.072 287 HB2 GLN 41 1HB GLN 41 -10.742 -7.229 -10.248 288 HB3 GLN 41 2HB GLN 41 -12.215 -6.301 -9.996 289 HG2 GLN 41 1HG GLN 41 -12.765 -6.648 -12.398 290 HG3 GLN 41 2HG GLN 41 -11.369 -7.719 -12.509 291 HE21 GLN 41 1HE2 GLN 41 -11.348 -9.517 -10.887 292 HE22 GLN 41 2HE2 GLN 41 -12.852 -10.302 -10.561 293 H ASP 42 H ASP 42 -12.006 -3.848 -9.536 294 HA ASP 42 HA ASP 42 -13.612 -2.541 -11.623 295 HB2 ASP 42 1HB ASP 42 -14.111 -3.214 -8.756 296 HB3 ASP 42 2HB ASP 42 -14.919 -1.805 -9.439 297 H ASP 43 H ASP 43 -11.877 -1.834 -8.599 298 HA ASP 43 HA ASP 43 -12.080 0.883 -8.482 299 HB2 ASP 43 1HB ASP 43 -10.759 -0.801 -6.984 300 HB3 ASP 43 2HB ASP 43 -9.399 -0.385 -8.024 301 H ASP 44 H ASP 44 -10.633 2.615 -9.122 302 HA ASP 44 HA ASP 44 -10.080 2.560 -11.907 303 HB2 ASP 44 1HB ASP 44 -10.753 4.584 -10.528 304 HB3 ASP 44 2HB ASP 44 -9.092 4.628 -9.943 305 H GLY 45 H GLY 45 -7.910 2.936 -9.095 306 HA2 GLY 45 1HA GLY 45 -5.945 1.180 -10.117 307 HA3 GLY 45 2HA GLY 45 -5.503 2.837 -10.501 308 H PHE 46 H PHE 46 -7.189 1.745 -7.603 309 HA PHE 46 HA PHE 46 -4.830 2.547 -6.030 310 HB2 PHE 46 1HB PHE 46 -7.764 2.957 -5.453 311 HB3 PHE 46 2HB PHE 46 -6.516 3.137 -4.225 312 HD1 PHE 46 2HD PHE 46 -6.874 4.222 -7.781 313 HD2 PHE 46 1HD PHE 46 -6.093 5.333 -3.747 314 HE1 PHE 46 2HE PHE 46 -6.515 6.549 -8.494 315 HE2 PHE 46 1HE PHE 46 -5.735 7.662 -4.454 316 HZ PHE 46 HZ PHE 46 -5.944 8.272 -6.831 317 H TRP 47 H TRP 47 -4.414 1.396 -4.097 318 HA TRP 47 HA TRP 47 -5.585 -1.304 -4.082 319 HB2 TRP 47 1HB TRP 47 -2.865 -0.269 -3.325 320 HB3 TRP 47 2HB TRP 47 -3.448 -1.813 -2.709 321 HD1 TRP 47 HD TRP 47 -4.973 -2.269 -5.727 322 HE1 TRP 47 1HE TRP 47 -3.471 -3.248 -7.573 323 HE3 TRP 47 3HE TRP 47 -0.401 -1.199 -3.705 324 HZ2 TRP 47 2HZ TRP 47 -0.712 -3.530 -8.102 325 HZ3 TRP 47 3HZ TRP 47 1.620 -1.858 -4.945 326 HH2 TRP 47 HH TRP 47 1.466 -2.999 -7.097 327 H GLU 48 H GLU 48 -5.370 -2.346 -1.800 328 HA GLU 48 HA GLU 48 -6.139 -0.397 0.261 329 HB2 GLU 48 1HB GLU 48 -8.064 -1.738 -0.916 330 HB3 GLU 48 2HB GLU 48 -7.519 -3.049 0.120 331 HG2 GLU 48 1HG GLU 48 -8.092 -1.912 2.070 332 HG3 GLU 48 2HG GLU 48 -8.171 -0.355 1.247 333 H GLY 49 H GLY 49 -4.880 -0.584 1.986 334 HA2 GLY 49 1HA GLY 49 -4.140 -3.219 2.975 335 HA3 GLY 49 2HA GLY 49 -2.807 -2.195 2.460 336 H GLU 50 H GLU 50 -3.075 -3.152 5.074 337 HA GLU 50 HA GLU 50 -4.024 -0.860 6.628 338 HB2 GLU 50 1HB GLU 50 -4.712 -3.150 7.303 339 HB3 GLU 50 2HB GLU 50 -3.023 -3.544 7.593 340 HG2 GLU 50 1HG GLU 50 -3.162 -1.416 9.149 341 HG3 GLU 50 2HG GLU 50 -4.873 -1.839 9.163 342 H PHE 51 H PHE 51 -2.701 0.227 8.115 343 HA PHE 51 HA PHE 51 0.180 -0.025 7.563 344 HB2 PHE 51 1HB PHE 51 -0.718 2.114 6.827 345 HB3 PHE 51 2HB PHE 51 -1.417 2.397 8.418 346 HD1 PHE 51 2HD PHE 51 1.958 1.212 7.375 347 HD2 PHE 51 1HD PHE 51 -0.338 4.199 9.356 348 HE1 PHE 51 2HE PHE 51 4.031 2.332 8.082 349 HE2 PHE 51 1HE PHE 51 1.732 5.324 10.065 350 HZ PHE 51 HZ PHE 51 3.920 4.390 9.429 351 H ASN 52 H ASN 52 -1.180 -1.626 9.502 352 HA ASN 52 HA ASN 52 -0.792 -2.415 11.603 353 HB2 ASN 52 1HB ASN 52 1.571 -1.646 11.112 354 HB3 ASN 52 2HB ASN 52 1.178 -0.153 11.961 355 HD21 ASN 52 1HD2 ASN 52 3.055 -0.962 13.241 356 HD22 ASN 52 2HD2 ASN 52 2.712 -1.997 14.581 357 H GLY 53 H GLY 53 -2.895 -0.584 11.094 358 HA2 GLY 53 1HA GLY 53 -4.106 -0.129 13.407 359 HA3 GLY 53 2HA GLY 53 -2.964 1.207 13.399 360 H ARG 54 H ARG 54 -3.088 1.600 10.523 361 HA ARG 54 HA ARG 54 -5.765 2.818 10.369 362 HB2 ARG 54 1HB ARG 54 -3.062 3.756 9.542 363 HB3 ARG 54 2HB ARG 54 -4.433 4.236 8.550 364 HG2 ARG 54 1HG ARG 54 -4.641 4.613 11.486 365 HG3 ARG 54 2HG ARG 54 -3.591 5.701 10.575 366 HD2 ARG 54 1HD ARG 54 -5.435 6.321 9.132 367 HD3 ARG 54 2HD ARG 54 -6.490 5.164 9.942 368 HE ARG 54 HE ARG 54 -5.334 7.166 11.671 369 HH11 ARG 54 2HH1 ARG 54 -8.010 6.302 9.619 370 HH12 ARG 54 1HH1 ARG 54 -9.115 7.400 10.378 371 HH21 ARG 54 2HH2 ARG 54 -6.779 8.614 12.679 372 HH22 ARG 54 1HH2 ARG 54 -8.414 8.715 12.118 373 H ILE 55 H ILE 55 -6.954 2.650 8.483 374 HA ILE 55 HA ILE 55 -5.856 0.925 6.369 375 HB ILE 55 HB ILE 55 -8.599 0.662 7.605 376 HG12 ILE 55 1HG1 ILE 55 -7.567 -1.785 7.797 377 HG13 ILE 55 2HG1 ILE 55 -6.055 -0.882 7.800 378 HG21 ILE 55 1HG2 ILE 55 -8.442 0.392 5.087 379 HG22 ILE 55 2HG2 ILE 55 -7.455 -1.033 5.404 380 HG23 ILE 55 3HG2 ILE 55 -9.119 -0.967 5.985 381 HD11 ILE 55 1HD1 ILE 55 -8.127 -1.109 9.862 382 HD12 ILE 55 2HD1 ILE 55 -6.391 -0.832 10.012 383 HD13 ILE 55 3HD1 ILE 55 -7.469 0.510 9.628 384 H GLY 56 H GLY 56 -6.230 1.616 4.346 385 HA2 GLY 56 1HA GLY 56 -8.517 3.185 3.631 386 HA3 GLY 56 2HA GLY 56 -7.059 4.161 3.734 387 H VAL 57 H VAL 57 -7.342 4.587 1.467 388 HA VAL 57 HA VAL 57 -6.365 2.370 -0.212 389 HB VAL 57 HB VAL 57 -7.631 3.304 -2.103 390 HG11 VAL 57 1HG1 VAL 57 -9.805 2.504 -1.444 391 HG12 VAL 57 2HG1 VAL 57 -8.570 1.503 -0.680 392 HG13 VAL 57 3HG1 VAL 57 -9.415 2.733 0.260 393 HG21 VAL 57 1HG2 VAL 57 -8.400 5.320 -0.049 394 HG22 VAL 57 2HG2 VAL 57 -7.982 5.545 -1.748 395 HG23 VAL 57 3HG2 VAL 57 -9.562 4.898 -1.307 396 H PHE 58 H PHE 58 -4.818 2.851 -1.739 397 HA PHE 58 HA PHE 58 -3.851 5.625 -1.838 398 HB2 PHE 58 1HB PHE 58 -1.500 4.500 -1.988 399 HB3 PHE 58 2HB PHE 58 -2.250 4.730 -0.412 400 HD1 PHE 58 2HD PHE 58 -3.786 2.689 0.339 401 HD2 PHE 58 1HD PHE 58 -0.568 2.459 -2.436 402 HE1 PHE 58 2HE PHE 58 -3.573 0.280 0.791 403 HE2 PHE 58 1HE PHE 58 -0.350 0.049 -1.989 404 HZ PHE 58 HZ PHE 58 -1.853 -1.043 -0.373 405 HA PRO 59 HA PRO 59 -3.632 5.151 -6.193 406 HB2 PRO 59 1HB PRO 59 -1.439 6.627 -6.811 407 HB3 PRO 59 2HB PRO 59 -2.968 7.348 -6.294 408 HG2 PRO 59 1HG PRO 59 -0.492 6.809 -4.699 409 HG3 PRO 59 2HG PRO 59 -1.536 8.243 -4.695 410 HD2 PRO 59 1HD PRO 59 -1.682 6.328 -2.786 411 HD3 PRO 59 2HD PRO 59 -3.099 7.255 -3.319 412 H SER 60 H SER 60 -1.477 3.659 -4.188 413 HA SER 60 HA SER 60 0.245 2.171 -4.442 414 HB2 SER 60 1HB SER 60 -0.241 0.368 -5.966 415 HB3 SER 60 2HB SER 60 -1.770 0.942 -5.302 416 HG SER 60 HG SER 60 -2.354 1.245 -7.286 417 H VAL 61 H VAL 61 0.849 4.718 -5.511 418 HA VAL 61 HA VAL 61 2.692 3.943 -7.674 419 HB VAL 61 HB VAL 61 2.451 6.176 -8.664 420 HG11 VAL 61 1HG1 VAL 61 -0.267 5.733 -8.979 421 HG12 VAL 61 2HG1 VAL 61 1.032 5.044 -9.955 422 HG13 VAL 61 3HG1 VAL 61 0.387 4.145 -8.581 423 HG21 VAL 61 1HG2 VAL 61 1.787 7.692 -7.097 424 HG22 VAL 61 2HG2 VAL 61 0.222 7.352 -7.834 425 HG23 VAL 61 3HG2 VAL 61 0.672 6.568 -6.320 426 H LEU 62 H LEU 62 2.078 5.835 -4.809 427 HA LEU 62 HA LEU 62 4.694 7.076 -4.842 428 HB2 LEU 62 1HB LEU 62 2.555 7.065 -2.718 429 HB3 LEU 62 2HB LEU 62 4.013 8.054 -2.702 430 HG LEU 62 HG LEU 62 1.812 8.266 -4.755 431 HD11 LEU 62 1HD1 LEU 62 0.786 9.835 -3.513 432 HD12 LEU 62 2HD1 LEU 62 2.298 10.454 -2.850 433 HD13 LEU 62 3HD1 LEU 62 1.568 9.000 -2.170 434 HD21 LEU 62 1HD2 LEU 62 4.487 9.175 -4.756 435 HD22 LEU 62 2HD2 LEU 62 3.456 10.582 -4.495 436 HD23 LEU 62 3HD2 LEU 62 3.204 9.552 -5.906 437 H VAL 63 H VAL 63 3.855 4.040 -4.349 438 HA VAL 63 HA VAL 63 5.740 3.648 -2.115 439 HB VAL 63 HB VAL 63 4.598 1.583 -1.561 440 HG11 VAL 63 1HG1 VAL 63 3.649 3.219 -0.279 441 HG12 VAL 63 2HG1 VAL 63 3.061 4.126 -1.674 442 HG13 VAL 63 3HG1 VAL 63 2.222 2.664 -1.154 443 HG21 VAL 63 1HG2 VAL 63 2.200 1.841 -3.090 444 HG22 VAL 63 2HG2 VAL 63 3.582 1.793 -4.186 445 HG23 VAL 63 3HG2 VAL 63 3.332 0.491 -3.023 446 H GLU 64 H GLU 64 7.062 1.720 -2.211 447 HA GLU 64 HA GLU 64 7.483 0.729 -4.952 448 HB2 GLU 64 1HB GLU 64 9.268 2.261 -4.517 449 HB3 GLU 64 2HB GLU 64 9.546 1.577 -2.921 450 HG2 GLU 64 1HG GLU 64 11.259 0.903 -4.527 451 HG3 GLU 64 2HG GLU 64 10.357 -0.476 -3.902 452 H GLU 65 H GLU 65 7.598 -1.421 -5.175 453 HA GLU 65 HA GLU 65 6.880 -3.153 -3.103 454 HB2 GLU 65 1HB GLU 65 7.959 -3.512 -5.861 455 HB3 GLU 65 2HB GLU 65 7.942 -4.903 -4.787 456 HG2 GLU 65 1HG GLU 65 5.482 -4.373 -4.408 457 HG3 GLU 65 2HG GLU 65 5.621 -3.301 -5.800 458 H LEU 66 H LEU 66 8.015 -4.539 -1.791 459 HA LEU 66 HA LEU 66 10.818 -3.856 -1.379 460 HB2 LEU 66 1HB LEU 66 8.964 -5.587 0.250 461 HB3 LEU 66 2HB LEU 66 10.599 -5.116 0.709 462 HG LEU 66 HG LEU 66 8.318 -3.181 0.323 463 HD11 LEU 66 1HD1 LEU 66 9.372 -3.641 3.018 464 HD12 LEU 66 2HD1 LEU 66 8.478 -4.998 2.335 465 HD13 LEU 66 3HD1 LEU 66 7.711 -3.416 2.467 466 HD21 LEU 66 1HD2 LEU 66 11.004 -2.697 0.276 467 HD22 LEU 66 2HD2 LEU 66 10.617 -2.455 1.980 468 HD23 LEU 66 3HD2 LEU 66 9.769 -1.527 0.742 469 H SER 67 H SER 67 12.464 -5.119 -1.954 470 HA SER 67 HA SER 67 11.846 -7.798 -2.993 471 HB2 SER 67 1HB SER 67 13.044 -5.906 -4.372 472 HB3 SER 67 2HB SER 67 14.469 -6.429 -3.473 473 HG SER 67 HG SER 67 14.499 -7.738 -5.185 474 H SER 68 H SER 68 11.922 -7.692 -0.286 475 HA SER 68 HA SER 68 14.559 -8.809 0.406 476 HB2 SER 68 1HB SER 68 13.593 -6.691 1.615 477 HB3 SER 68 2HB SER 68 12.613 -7.870 2.486 478 HG SER 68 HG SER 68 15.395 -8.226 2.256 479 H GLY 69 H GLY 69 14.607 -10.932 0.693 480 HA2 GLY 69 1HA GLY 69 12.579 -12.312 2.180 481 HA3 GLY 69 2HA GLY 69 12.511 -12.680 0.463 482 HA PRO 70 HA PRO 70 15.456 -15.863 1.167 483 HB2 PRO 70 1HB PRO 70 16.418 -16.137 -1.357 484 HB3 PRO 70 2HB PRO 70 14.815 -16.704 -0.873 485 HG2 PRO 70 1HG PRO 70 15.583 -14.187 -2.299 486 HG3 PRO 70 2HG PRO 70 14.233 -15.290 -2.625 487 HD2 PRO 70 1HD PRO 70 13.919 -12.958 -1.283 488 HD3 PRO 70 2HD PRO 70 12.934 -14.396 -0.944 489 H SER 71 H SER 71 16.949 -14.748 2.491 490 HA SER 71 HA SER 71 19.073 -13.240 1.173 491 HB2 SER 71 1HB SER 71 18.472 -13.711 4.102 492 HB3 SER 71 2HB SER 71 19.817 -12.740 3.503 493 HG SER 71 HG SER 71 18.475 -11.181 2.982 494 H SER 72 H SER 72 20.409 -14.672 0.182 495 HA SER 72 HA SER 72 21.740 -16.641 1.923 496 HB2 SER 72 1HB SER 72 20.134 -17.623 0.187 497 HB3 SER 72 2HB SER 72 21.291 -17.081 -1.029 498 HG SER 72 HG SER 72 22.331 -18.846 -0.610 499 H GLY 73 H GLY 73 23.712 -15.843 2.281 500 HA2 GLY 73 1HA GLY 73 25.801 -14.970 1.903 501 HA3 GLY 73 2HA GLY 73 25.667 -15.684 0.303 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -15.224 -15.780 0.262 2 HA2 GLY 1 1HA GLY 1 -15.545 -18.279 1.394 3 HA3 GLY 1 2HA GLY 1 -16.094 -18.442 -0.268 4 H SER 2 H SER 2 -13.821 -19.715 1.012 5 HA SER 2 HA SER 2 -11.558 -20.032 0.779 6 HB2 SER 2 1HB SER 2 -12.644 -20.806 -1.393 7 HB3 SER 2 2HB SER 2 -12.092 -19.286 -2.098 8 HG SER 2 HG SER 2 -9.965 -20.121 -1.042 9 H SER 3 H SER 3 -12.085 -17.449 1.698 10 HA SER 3 HA SER 3 -10.375 -15.662 0.150 11 HB2 SER 3 1HB SER 3 -12.634 -15.030 1.302 12 HB3 SER 3 2HB SER 3 -11.652 -14.916 2.762 13 HG SER 3 HG SER 3 -10.517 -13.272 1.888 14 H GLY 4 H GLY 4 -8.644 -14.468 1.202 15 HA2 GLY 4 1HA GLY 4 -6.772 -14.285 2.529 16 HA3 GLY 4 2HA GLY 4 -7.601 -15.270 3.726 17 H SER 5 H SER 5 -5.731 -15.418 0.729 18 HA SER 5 HA SER 5 -5.145 -18.240 1.210 19 HB2 SER 5 1HB SER 5 -4.375 -16.467 -1.121 20 HB3 SER 5 2HB SER 5 -4.128 -18.211 -1.022 21 HG SER 5 HG SER 5 -6.358 -18.489 -1.001 22 H SER 6 H SER 6 -2.777 -18.847 0.625 23 HA SER 6 HA SER 6 -1.111 -17.608 2.582 24 HB2 SER 6 1HB SER 6 -0.505 -19.706 0.486 25 HB3 SER 6 2HB SER 6 0.619 -19.211 1.751 26 HG SER 6 HG SER 6 -0.373 -20.557 3.004 27 H GLY 7 H GLY 7 1.027 -16.714 2.171 28 HA2 GLY 7 1HA GLY 7 2.606 -15.556 0.887 29 HA3 GLY 7 2HA GLY 7 1.537 -15.682 -0.502 30 H VAL 8 H VAL 8 2.957 -13.495 1.357 31 HA VAL 8 HA VAL 8 0.737 -11.584 1.065 32 HB VAL 8 HB VAL 8 1.555 -10.413 3.103 33 HG11 VAL 8 1HG1 VAL 8 0.226 -13.023 3.028 34 HG12 VAL 8 2HG1 VAL 8 0.869 -12.574 4.609 35 HG13 VAL 8 3HG1 VAL 8 -0.277 -11.513 3.787 36 HG21 VAL 8 1HG2 VAL 8 2.990 -12.889 3.927 37 HG22 VAL 8 2HG2 VAL 8 3.824 -11.729 2.893 38 HG23 VAL 8 3HG2 VAL 8 3.211 -11.225 4.468 39 H CYS 9 H CYS 9 1.473 -9.308 0.976 40 HA CYS 9 HA CYS 9 4.214 -9.016 -0.036 41 HB2 CYS 9 1HB CYS 9 1.679 -8.079 -1.383 42 HB3 CYS 9 2HB CYS 9 3.270 -7.448 -1.792 43 HG CYS 9 HG CYS 9 3.069 -9.158 -3.789 44 H PHE 10 H PHE 10 4.911 -6.723 -0.140 45 HA PHE 10 HA PHE 10 3.443 -4.902 1.599 46 HB2 PHE 10 1HB PHE 10 6.196 -5.974 2.188 47 HB3 PHE 10 2HB PHE 10 5.649 -4.428 2.830 48 HD1 PHE 10 2HD PHE 10 4.942 -8.056 2.791 49 HD2 PHE 10 1HD PHE 10 4.246 -4.321 4.709 50 HE1 PHE 10 2HE PHE 10 3.856 -9.225 4.664 51 HE2 PHE 10 1HE PHE 10 3.159 -5.484 6.586 52 HZ PHE 10 HZ PHE 10 2.962 -7.938 6.564 53 H VAL 11 H VAL 11 4.165 -2.704 1.458 54 HA VAL 11 HA VAL 11 6.098 -2.080 -0.639 55 HB VAL 11 HB VAL 11 4.487 -0.407 -1.630 56 HG11 VAL 11 1HG1 VAL 11 4.117 -3.371 -1.879 57 HG12 VAL 11 2HG1 VAL 11 3.178 -2.248 -2.866 58 HG13 VAL 11 3HG1 VAL 11 4.939 -2.257 -2.971 59 HG21 VAL 11 1HG2 VAL 11 2.172 -0.574 -1.239 60 HG22 VAL 11 2HG2 VAL 11 2.345 -2.094 -0.362 61 HG23 VAL 11 3HG2 VAL 11 2.912 -0.589 0.362 62 H LYS 12 H LYS 12 7.191 -0.213 -0.294 63 HA LYS 12 HA LYS 12 6.521 1.262 2.153 64 HB2 LYS 12 1HB LYS 12 8.771 0.271 2.032 65 HB3 LYS 12 2HB LYS 12 9.098 1.193 0.571 66 HG2 LYS 12 1HG LYS 12 8.531 3.242 2.087 67 HG3 LYS 12 2HG LYS 12 8.909 2.120 3.395 68 HD2 LYS 12 1HD LYS 12 10.954 3.144 2.962 69 HD3 LYS 12 2HD LYS 12 11.061 1.632 2.058 70 HE2 LYS 12 1HE LYS 12 10.503 2.770 0.007 71 HE3 LYS 12 2HE LYS 12 10.219 4.277 0.877 72 HZ1 LYS 12 1HZ LYS 12 12.611 4.131 1.581 73 HZ2 LYS 12 2HZ LYS 12 12.354 4.441 -0.061 74 HZ3 LYS 12 3HZ LYS 12 12.800 2.890 0.447 75 H ALA 13 H ALA 13 5.850 3.312 2.086 76 HA ALA 13 HA ALA 13 5.216 4.558 -0.382 77 HB1 ALA 13 1HB ALA 13 3.785 5.536 1.008 78 HB2 ALA 13 2HB ALA 13 4.718 5.029 2.417 79 HB3 ALA 13 3HB ALA 13 5.121 6.532 1.586 80 H LEU 14 H LEU 14 6.693 5.384 -1.708 81 HA LEU 14 HA LEU 14 9.289 6.170 -0.930 82 HB2 LEU 14 1HB LEU 14 7.718 6.796 -3.424 83 HB3 LEU 14 2HB LEU 14 9.437 7.126 -3.215 84 HG LEU 14 HG LEU 14 8.308 4.347 -3.006 85 HD11 LEU 14 1HD1 LEU 14 7.785 5.494 -5.217 86 HD12 LEU 14 2HD1 LEU 14 8.672 3.972 -5.291 87 HD13 LEU 14 3HD1 LEU 14 9.527 5.500 -5.495 88 HD21 LEU 14 1HD2 LEU 14 10.807 5.431 -2.468 89 HD22 LEU 14 2HD2 LEU 14 10.981 4.688 -4.058 90 HD23 LEU 14 3HD2 LEU 14 10.421 3.724 -2.691 91 H TYR 15 H TYR 15 6.282 7.923 -1.323 92 HA TYR 15 HA TYR 15 7.626 10.331 -0.290 93 HB2 TYR 15 1HB TYR 15 5.353 10.320 -2.285 94 HB3 TYR 15 2HB TYR 15 6.207 11.731 -1.670 95 HD1 TYR 15 1HD TYR 15 6.551 8.715 -3.782 96 HD2 TYR 15 2HD TYR 15 8.255 12.442 -2.636 97 HE1 TYR 15 1HE TYR 15 8.150 8.550 -5.644 98 HE2 TYR 15 2HE TYR 15 9.857 12.288 -4.496 99 HH TYR 15 HH TYR 15 10.662 11.006 -6.131 100 H ASP 16 H ASP 16 6.340 11.705 1.030 101 HA ASP 16 HA ASP 16 4.630 10.319 2.808 102 HB2 ASP 16 1HB ASP 16 4.587 13.302 2.678 103 HB3 ASP 16 2HB ASP 16 4.637 12.241 4.083 104 H TYR 17 H TYR 17 2.628 9.695 2.374 105 HA TYR 17 HA TYR 17 1.030 11.155 0.423 106 HB2 TYR 17 1HB TYR 17 1.161 8.693 0.280 107 HB3 TYR 17 2HB TYR 17 0.437 8.569 1.879 108 HD1 TYR 17 1HD TYR 17 -1.895 9.739 2.150 109 HD2 TYR 17 2HD TYR 17 -0.210 8.596 -1.585 110 HE1 TYR 17 1HE TYR 17 -4.138 9.751 1.141 111 HE2 TYR 17 2HE TYR 17 -2.448 8.605 -2.605 112 HH TYR 17 HH TYR 17 -5.336 8.964 -0.693 113 H GLU 18 H GLU 18 -0.852 12.217 0.866 114 HA GLU 18 HA GLU 18 -1.570 12.478 3.712 115 HB2 GLU 18 1HB GLU 18 -1.632 14.548 1.515 116 HB3 GLU 18 2HB GLU 18 -2.388 14.777 3.085 117 HG2 GLU 18 1HG GLU 18 -0.349 14.848 4.198 118 HG3 GLU 18 2HG GLU 18 0.513 14.083 2.864 119 H GLY 19 H GLY 19 -3.451 11.544 4.143 120 HA2 GLY 19 1HA GLY 19 -5.403 11.156 2.007 121 HA3 GLY 19 2HA GLY 19 -5.442 10.414 3.600 122 H GLN 20 H GLN 20 -7.300 12.184 1.830 123 HA GLN 20 HA GLN 20 -7.791 14.466 3.512 124 HB2 GLN 20 1HB GLN 20 -9.488 13.331 1.283 125 HB3 GLN 20 2HB GLN 20 -9.653 14.925 2.008 126 HG2 GLN 20 1HG GLN 20 -7.259 13.950 0.467 127 HG3 GLN 20 2HG GLN 20 -8.529 14.999 -0.162 128 HE21 GLN 20 1HE2 GLN 20 -8.874 17.035 1.090 129 HE22 GLN 20 2HE2 GLN 20 -7.469 17.851 1.679 130 H THR 21 H THR 21 -9.289 11.319 2.954 131 HA THR 21 HA THR 21 -10.851 11.713 5.417 132 HB THR 21 HB THR 21 -12.740 10.514 4.463 133 HG1 THR 21 1HG THR 21 -11.281 9.371 2.885 134 HG21 THR 21 1HG2 THR 21 -13.619 12.255 3.202 135 HG22 THR 21 2HG2 THR 21 -12.080 12.593 2.410 136 HG23 THR 21 3HG2 THR 21 -12.326 13.054 4.094 137 H ASP 22 H ASP 22 -11.574 9.651 6.398 138 HA ASP 22 HA ASP 22 -9.531 7.955 7.022 139 HB2 ASP 22 1HB ASP 22 -12.506 7.462 6.976 140 HB3 ASP 22 2HB ASP 22 -11.368 6.270 7.598 141 H ASP 23 H ASP 23 -11.900 7.539 4.421 142 HA ASP 23 HA ASP 23 -11.383 5.033 3.518 143 HB2 ASP 23 1HB ASP 23 -12.072 7.581 2.136 144 HB3 ASP 23 2HB ASP 23 -11.591 6.213 1.136 145 H GLU 24 H GLU 24 -9.415 7.912 2.900 146 HA GLU 24 HA GLU 24 -7.496 6.434 1.332 147 HB2 GLU 24 1HB GLU 24 -7.463 9.260 2.404 148 HB3 GLU 24 2HB GLU 24 -6.225 8.582 1.356 149 HG2 GLU 24 1HG GLU 24 -7.642 8.488 -0.476 150 HG3 GLU 24 2HG GLU 24 -9.094 8.575 0.520 151 H LEU 25 H LEU 25 -5.108 6.711 1.940 152 HA LEU 25 HA LEU 25 -4.773 6.189 4.821 153 HB2 LEU 25 1HB LEU 25 -4.525 4.274 3.024 154 HB3 LEU 25 2HB LEU 25 -2.926 4.985 2.820 155 HG LEU 25 HG LEU 25 -2.605 4.652 5.309 156 HD11 LEU 25 1HD1 LEU 25 -5.045 4.369 5.776 157 HD12 LEU 25 2HD1 LEU 25 -4.011 3.119 6.466 158 HD13 LEU 25 3HD1 LEU 25 -4.946 2.783 5.009 159 HD21 LEU 25 1HD2 LEU 25 -2.707 1.952 4.719 160 HD22 LEU 25 2HD2 LEU 25 -1.355 3.042 4.412 161 HD23 LEU 25 3HD2 LEU 25 -2.538 2.725 3.143 162 H SER 26 H SER 26 -3.281 7.364 5.851 163 HA SER 26 HA SER 26 -1.493 9.041 4.218 164 HB2 SER 26 1HB SER 26 -1.510 10.653 6.050 165 HB3 SER 26 2HB SER 26 -3.163 10.294 5.553 166 HG SER 26 HG SER 26 -2.997 10.244 7.806 167 H PHE 27 H PHE 27 0.543 8.386 4.227 168 HA PHE 27 HA PHE 27 1.700 7.399 6.740 169 HB2 PHE 27 1HB PHE 27 3.105 5.904 5.032 170 HB3 PHE 27 2HB PHE 27 1.588 5.349 5.733 171 HD1 PHE 27 2HD PHE 27 2.997 7.050 2.748 172 HD2 PHE 27 1HD PHE 27 -0.176 4.717 4.364 173 HE1 PHE 27 2HE PHE 27 2.067 6.757 0.489 174 HE2 PHE 27 1HE PHE 27 -1.110 4.419 2.107 175 HZ PHE 27 HZ PHE 27 0.011 5.440 0.166 176 HA PRO 28 HA PRO 28 4.886 10.314 5.896 177 HB2 PRO 28 1HB PRO 28 6.868 9.242 7.411 178 HB3 PRO 28 2HB PRO 28 5.476 10.082 8.105 179 HG2 PRO 28 1HG PRO 28 5.958 7.143 7.803 180 HG3 PRO 28 2HG PRO 28 5.293 8.032 9.186 181 HD2 PRO 28 1HD PRO 28 3.729 6.693 7.427 182 HD3 PRO 28 2HD PRO 28 3.193 8.174 8.246 183 H GLU 29 H GLU 29 7.177 10.420 5.138 184 HA GLU 29 HA GLU 29 7.531 8.896 2.806 185 HB2 GLU 29 1HB GLU 29 8.497 11.106 3.005 186 HB3 GLU 29 2HB GLU 29 9.494 10.590 4.358 187 HG2 GLU 29 1HG GLU 29 10.862 9.263 2.979 188 HG3 GLU 29 2HG GLU 29 9.729 9.359 1.632 189 H GLY 30 H GLY 30 7.644 6.716 3.074 190 HA2 GLY 30 1HA GLY 30 9.239 4.909 3.162 191 HA3 GLY 30 2HA GLY 30 10.017 5.723 4.512 192 H ALA 31 H ALA 31 6.593 4.966 3.939 193 HA ALA 31 HA ALA 31 6.613 3.461 6.473 194 HB1 ALA 31 1HB ALA 31 4.991 5.623 5.632 195 HB2 ALA 31 2HB ALA 31 3.965 4.192 5.738 196 HB3 ALA 31 3HB ALA 31 4.905 4.707 7.138 197 H ILE 32 H ILE 32 6.663 1.349 6.042 198 HA ILE 32 HA ILE 32 5.676 0.207 3.628 199 HB ILE 32 HB ILE 32 6.683 -0.977 6.201 200 HG12 ILE 32 1HG1 ILE 32 8.361 -1.932 4.485 201 HG13 ILE 32 2HG1 ILE 32 7.689 -0.745 3.373 202 HG21 ILE 32 1HG2 ILE 32 5.005 -2.519 5.536 203 HG22 ILE 32 2HG2 ILE 32 5.491 -2.419 3.844 204 HG23 ILE 32 3HG2 ILE 32 6.550 -3.195 5.022 205 HD11 ILE 32 1HD1 ILE 32 8.260 1.011 5.070 206 HD12 ILE 32 2HD1 ILE 32 9.141 -0.238 5.950 207 HD13 ILE 32 3HD1 ILE 32 9.634 0.203 4.316 208 H ILE 33 H ILE 33 3.919 -1.207 3.337 209 HA ILE 33 HA ILE 33 1.888 -1.221 5.456 210 HB ILE 33 HB ILE 33 1.248 -0.628 2.567 211 HG12 ILE 33 1HG1 ILE 33 0.849 1.367 4.751 212 HG13 ILE 33 2HG1 ILE 33 2.473 1.154 4.107 213 HG21 ILE 33 1HG2 ILE 33 -0.493 -0.505 5.025 214 HG22 ILE 33 2HG2 ILE 33 -0.991 -0.196 3.362 215 HG23 ILE 33 3HG2 ILE 33 -0.495 -1.818 3.846 216 HD11 ILE 33 1HD1 ILE 33 1.977 2.185 2.183 217 HD12 ILE 33 2HD1 ILE 33 0.369 1.465 2.089 218 HD13 ILE 33 3HD1 ILE 33 0.647 2.871 3.116 219 H ARG 34 H ARG 34 0.362 -2.934 5.321 220 HA ARG 34 HA ARG 34 1.435 -5.280 3.955 221 HB2 ARG 34 1HB ARG 34 0.965 -5.545 6.315 222 HB3 ARG 34 2HB ARG 34 -0.687 -4.987 6.086 223 HG2 ARG 34 1HG ARG 34 -1.383 -6.967 5.194 224 HG3 ARG 34 2HG ARG 34 0.213 -7.367 4.556 225 HD2 ARG 34 1HD ARG 34 0.969 -8.164 6.592 226 HD3 ARG 34 2HD ARG 34 -0.221 -7.243 7.509 227 HE ARG 34 HE ARG 34 -1.670 -9.038 6.015 228 HH11 ARG 34 2HH1 ARG 34 0.842 -9.210 8.419 229 HH12 ARG 34 1HH1 ARG 34 0.323 -10.742 9.040 230 HH21 ARG 34 2HH2 ARG 34 -2.362 -11.056 6.823 231 HH22 ARG 34 1HH2 ARG 34 -1.499 -11.792 8.130 232 H ILE 35 H ILE 35 0.756 -5.387 1.894 233 HA ILE 35 HA ILE 35 -1.640 -4.385 0.870 234 HB ILE 35 HB ILE 35 0.090 -6.628 -0.173 235 HG12 ILE 35 1HG1 ILE 35 1.409 -4.708 -0.240 236 HG13 ILE 35 2HG1 ILE 35 0.661 -4.705 -1.834 237 HG21 ILE 35 1HG2 ILE 35 -1.030 -6.376 -2.290 238 HG22 ILE 35 2HG2 ILE 35 -2.225 -6.725 -1.043 239 HG23 ILE 35 3HG2 ILE 35 -2.035 -5.079 -1.646 240 HD11 ILE 35 1HD1 ILE 35 0.505 -2.502 -1.097 241 HD12 ILE 35 2HD1 ILE 35 -1.100 -3.175 -0.804 242 HD13 ILE 35 3HD1 ILE 35 0.034 -2.984 0.533 243 H LEU 36 H LEU 36 -3.430 -4.975 2.055 244 HA LEU 36 HA LEU 36 -4.017 -7.657 2.793 245 HB2 LEU 36 1HB LEU 36 -5.734 -5.191 2.616 246 HB3 LEU 36 2HB LEU 36 -6.311 -6.738 3.233 247 HG LEU 36 HG LEU 36 -4.055 -5.137 4.439 248 HD11 LEU 36 1HD1 LEU 36 -5.643 -4.603 6.217 249 HD12 LEU 36 2HD1 LEU 36 -6.925 -5.418 5.322 250 HD13 LEU 36 3HD1 LEU 36 -6.177 -3.963 4.663 251 HD21 LEU 36 1HD2 LEU 36 -3.584 -7.038 5.490 252 HD22 LEU 36 2HD2 LEU 36 -4.998 -7.839 4.805 253 HD23 LEU 36 3HD2 LEU 36 -5.148 -6.905 6.294 254 H ASN 37 H ASN 37 -5.298 -5.520 0.250 255 HA ASN 37 HA ASN 37 -5.918 -7.889 -1.348 256 HB2 ASN 37 1HB ASN 37 -7.900 -5.713 -0.658 257 HB3 ASN 37 2HB ASN 37 -8.139 -6.872 -1.963 258 HD21 ASN 37 1HD2 ASN 37 -7.776 -6.508 1.502 259 HD22 ASN 37 2HD2 ASN 37 -8.554 -7.990 1.930 260 H LYS 38 H LYS 38 -4.884 -7.622 -3.203 261 HA LYS 38 HA LYS 38 -4.570 -4.900 -4.277 262 HB2 LYS 38 1HB LYS 38 -2.625 -5.682 -5.450 263 HB3 LYS 38 2HB LYS 38 -2.487 -6.180 -3.769 264 HG2 LYS 38 1HG LYS 38 -2.708 -8.393 -4.258 265 HG3 LYS 38 2HG LYS 38 -3.700 -8.092 -5.687 266 HD2 LYS 38 1HD LYS 38 -1.582 -8.911 -6.429 267 HD3 LYS 38 2HD LYS 38 -1.657 -7.190 -6.815 268 HE2 LYS 38 1HE LYS 38 0.469 -7.427 -5.916 269 HE3 LYS 38 2HE LYS 38 -0.478 -6.868 -4.539 270 HZ1 LYS 38 1HZ LYS 38 0.799 -8.644 -3.747 271 HZ2 LYS 38 2HZ LYS 38 0.484 -9.609 -5.100 272 HZ3 LYS 38 3HZ LYS 38 -0.743 -9.304 -3.976 273 H GLU 39 H GLU 39 -6.956 -6.575 -4.578 274 HA GLU 39 HA GLU 39 -6.886 -7.158 -7.456 275 HB2 GLU 39 1HB GLU 39 -8.689 -8.066 -5.227 276 HB3 GLU 39 2HB GLU 39 -9.174 -8.220 -6.909 277 HG2 GLU 39 1HG GLU 39 -7.586 -9.814 -7.367 278 HG3 GLU 39 2HG GLU 39 -6.532 -9.295 -6.053 279 H ASN 40 H ASN 40 -6.986 -4.925 -8.049 280 HA ASN 40 HA ASN 40 -9.720 -3.863 -7.911 281 HB2 ASN 40 1HB ASN 40 -7.918 -2.749 -6.338 282 HB3 ASN 40 2HB ASN 40 -7.418 -1.953 -7.827 283 HD21 ASN 40 1HD2 ASN 40 -8.214 0.006 -7.935 284 HD22 ASN 40 2HD2 ASN 40 -9.803 0.493 -7.460 285 H GLN 41 H GLN 41 -10.489 -3.639 -9.895 286 HA GLN 41 HA GLN 41 -8.663 -2.784 -12.035 287 HB2 GLN 41 1HB GLN 41 -9.856 -4.292 -13.596 288 HB3 GLN 41 2HB GLN 41 -9.000 -5.161 -12.329 289 HG2 GLN 41 1HG GLN 41 -11.046 -5.553 -11.138 290 HG3 GLN 41 2HG GLN 41 -11.943 -4.545 -12.273 291 HE21 GLN 41 1HE2 GLN 41 -12.512 -5.358 -14.254 292 HE22 GLN 41 2HE2 GLN 41 -12.335 -7.023 -14.678 293 H ASP 42 H ASP 42 -11.993 -3.029 -10.889 294 HA ASP 42 HA ASP 42 -13.407 -1.701 -12.793 295 HB2 ASP 42 1HB ASP 42 -14.473 -2.567 -10.796 296 HB3 ASP 42 2HB ASP 42 -13.637 -1.384 -9.794 297 H ASP 43 H ASP 43 -11.912 -0.041 -10.008 298 HA ASP 43 HA ASP 43 -12.098 2.497 -11.406 299 HB2 ASP 43 1HB ASP 43 -11.181 1.741 -8.630 300 HB3 ASP 43 2HB ASP 43 -11.089 3.385 -9.256 301 H ASP 44 H ASP 44 -9.963 3.918 -10.732 302 HA ASP 44 HA ASP 44 -8.057 3.568 -12.561 303 HB2 ASP 44 1HB ASP 44 -7.135 4.266 -9.790 304 HB3 ASP 44 2HB ASP 44 -6.637 4.958 -11.331 305 H GLY 45 H GLY 45 -7.387 2.423 -9.247 306 HA2 GLY 45 1HA GLY 45 -6.853 -0.192 -9.596 307 HA3 GLY 45 2HA GLY 45 -5.418 0.562 -10.276 308 H PHE 46 H PHE 46 -7.279 1.732 -7.518 309 HA PHE 46 HA PHE 46 -4.911 1.945 -5.927 310 HB2 PHE 46 1HB PHE 46 -7.834 2.420 -5.354 311 HB3 PHE 46 2HB PHE 46 -6.590 2.607 -4.121 312 HD1 PHE 46 2HD PHE 46 -6.807 3.579 -7.718 313 HD2 PHE 46 1HD PHE 46 -6.212 4.824 -3.692 314 HE1 PHE 46 2HE PHE 46 -6.390 5.876 -8.494 315 HE2 PHE 46 1HE PHE 46 -5.796 7.124 -4.461 316 HZ PHE 46 HZ PHE 46 -5.883 7.652 -6.865 317 H TRP 47 H TRP 47 -4.418 0.851 -4.002 318 HA TRP 47 HA TRP 47 -5.674 -1.803 -3.783 319 HB2 TRP 47 1HB TRP 47 -2.884 -0.905 -3.033 320 HB3 TRP 47 2HB TRP 47 -3.534 -2.512 -2.721 321 HD1 TRP 47 HD TRP 47 -5.022 -2.387 -5.773 322 HE1 TRP 47 1HE TRP 47 -3.523 -3.049 -7.758 323 HE3 TRP 47 3HE TRP 47 -0.447 -1.783 -3.572 324 HZ2 TRP 47 2HZ TRP 47 -0.766 -3.284 -8.316 325 HZ3 TRP 47 3HZ TRP 47 1.571 -2.248 -4.900 326 HH2 TRP 47 HH TRP 47 1.413 -2.983 -7.223 327 H GLU 48 H GLU 48 -5.494 -2.757 -1.522 328 HA GLU 48 HA GLU 48 -6.099 -0.672 0.472 329 HB2 GLU 48 1HB GLU 48 -8.067 -2.046 -0.318 330 HB3 GLU 48 2HB GLU 48 -7.290 -3.445 0.411 331 HG2 GLU 48 1HG GLU 48 -7.259 -2.026 2.561 332 HG3 GLU 48 2HG GLU 48 -8.466 -1.039 1.738 333 H GLY 49 H GLY 49 -4.880 -0.671 2.247 334 HA2 GLY 49 1HA GLY 49 -3.694 -3.158 3.209 335 HA3 GLY 49 2HA GLY 49 -2.576 -1.893 2.720 336 H GLU 50 H GLU 50 -3.051 -3.121 5.361 337 HA GLU 50 HA GLU 50 -4.115 -0.856 6.883 338 HB2 GLU 50 1HB GLU 50 -4.963 -3.092 7.448 339 HB3 GLU 50 2HB GLU 50 -3.326 -3.626 7.801 340 HG2 GLU 50 1HG GLU 50 -3.408 -1.568 9.461 341 HG3 GLU 50 2HG GLU 50 -5.139 -1.888 9.372 342 H PHE 51 H PHE 51 -2.858 0.480 8.029 343 HA PHE 51 HA PHE 51 -0.051 -0.274 8.478 344 HB2 PHE 51 1HB PHE 51 -0.004 1.219 6.596 345 HB3 PHE 51 2HB PHE 51 -1.089 2.350 7.398 346 HD1 PHE 51 2HD PHE 51 2.267 0.784 7.752 347 HD2 PHE 51 1HD PHE 51 -0.218 4.143 8.567 348 HE1 PHE 51 2HE PHE 51 4.208 1.998 8.653 349 HE2 PHE 51 1HE PHE 51 1.720 5.362 9.468 350 HZ PHE 51 HZ PHE 51 3.936 4.289 9.513 351 H ASN 52 H ASN 52 0.780 0.254 10.435 352 HA ASN 52 HA ASN 52 0.549 0.538 12.718 353 HB2 ASN 52 1HB ASN 52 0.213 3.215 11.404 354 HB3 ASN 52 2HB ASN 52 0.152 3.084 13.159 355 HD21 ASN 52 1HD2 ASN 52 2.085 4.501 11.630 356 HD22 ASN 52 2HD2 ASN 52 3.624 3.780 11.945 357 H GLY 53 H GLY 53 -1.834 -0.535 11.700 358 HA2 GLY 53 1HA GLY 53 -3.945 -0.975 12.516 359 HA3 GLY 53 2HA GLY 53 -3.644 0.203 13.786 360 H ARG 54 H ARG 54 -3.629 0.671 10.272 361 HA ARG 54 HA ARG 54 -6.077 2.260 10.482 362 HB2 ARG 54 1HB ARG 54 -3.418 3.255 9.475 363 HB3 ARG 54 2HB ARG 54 -4.936 4.011 9.010 364 HG2 ARG 54 1HG ARG 54 -5.316 4.099 11.606 365 HG3 ARG 54 2HG ARG 54 -3.556 3.984 11.642 366 HD2 ARG 54 1HD ARG 54 -3.403 5.937 10.173 367 HD3 ARG 54 2HD ARG 54 -5.163 6.049 10.141 368 HE ARG 54 HE ARG 54 -3.401 6.843 12.293 369 HH11 ARG 54 2HH1 ARG 54 -6.654 6.063 11.328 370 HH12 ARG 54 1HH1 ARG 54 -7.389 6.916 12.645 371 HH21 ARG 54 2HH2 ARG 54 -4.357 7.970 14.031 372 HH22 ARG 54 1HH2 ARG 54 -6.081 8.001 14.182 373 H ILE 55 H ILE 55 -7.439 1.649 8.947 374 HA ILE 55 HA ILE 55 -6.392 0.270 6.584 375 HB ILE 55 HB ILE 55 -9.222 0.427 7.629 376 HG12 ILE 55 1HG1 ILE 55 -7.324 -1.926 7.626 377 HG13 ILE 55 2HG1 ILE 55 -7.568 -0.874 9.016 378 HG21 ILE 55 1HG2 ILE 55 -8.678 0.076 5.080 379 HG22 ILE 55 2HG2 ILE 55 -8.322 -1.567 5.611 380 HG23 ILE 55 3HG2 ILE 55 -9.923 -0.880 5.883 381 HD11 ILE 55 1HD1 ILE 55 -9.974 -2.085 7.795 382 HD12 ILE 55 2HD1 ILE 55 -8.889 -3.144 8.697 383 HD13 ILE 55 3HD1 ILE 55 -9.606 -1.739 9.484 384 H GLY 56 H GLY 56 -6.377 1.204 4.645 385 HA2 GLY 56 1HA GLY 56 -8.371 3.190 3.934 386 HA3 GLY 56 2HA GLY 56 -6.726 3.798 4.046 387 H VAL 57 H VAL 57 -7.267 4.300 1.730 388 HA VAL 57 HA VAL 57 -6.447 2.027 0.051 389 HB VAL 57 HB VAL 57 -7.884 2.876 -1.768 390 HG11 VAL 57 1HG1 VAL 57 -9.025 1.927 0.816 391 HG12 VAL 57 2HG1 VAL 57 -10.122 2.351 -0.500 392 HG13 VAL 57 3HG1 VAL 57 -8.903 1.097 -0.735 393 HG21 VAL 57 1HG2 VAL 57 -8.338 5.014 0.173 394 HG22 VAL 57 2HG2 VAL 57 -8.511 5.020 -1.582 395 HG23 VAL 57 3HG2 VAL 57 -9.814 4.398 -0.570 396 H PHE 58 H PHE 58 -4.889 2.446 -1.422 397 HA PHE 58 HA PHE 58 -4.075 5.251 -1.791 398 HB2 PHE 58 1HB PHE 58 -1.697 4.229 -1.993 399 HB3 PHE 58 2HB PHE 58 -2.384 4.462 -0.389 400 HD1 PHE 58 2HD PHE 58 -3.819 2.354 0.439 401 HD2 PHE 58 1HD PHE 58 -0.648 2.239 -2.398 402 HE1 PHE 58 2HE PHE 58 -3.465 -0.029 0.936 403 HE2 PHE 58 1HE PHE 58 -0.290 -0.145 -1.906 404 HZ PHE 58 HZ PHE 58 -1.698 -1.282 -0.236 405 HA PRO 59 HA PRO 59 -4.085 4.531 -6.118 406 HB2 PRO 59 1HB PRO 59 -1.998 6.060 -6.943 407 HB3 PRO 59 2HB PRO 59 -3.527 6.745 -6.379 408 HG2 PRO 59 1HG PRO 59 -0.946 6.404 -4.902 409 HG3 PRO 59 2HG PRO 59 -2.051 7.790 -4.918 410 HD2 PRO 59 1HD PRO 59 -2.006 5.986 -2.900 411 HD3 PRO 59 2HD PRO 59 -3.491 6.820 -3.401 412 H SER 60 H SER 60 -1.482 3.527 -4.186 413 HA SER 60 HA SER 60 0.144 1.955 -4.431 414 HB2 SER 60 1HB SER 60 -0.397 0.066 -5.640 415 HB3 SER 60 2HB SER 60 -1.985 0.827 -5.531 416 HG SER 60 HG SER 60 -1.952 1.203 -7.609 417 H VAL 61 H VAL 61 0.317 4.600 -5.796 418 HA VAL 61 HA VAL 61 2.313 3.889 -7.848 419 HB VAL 61 HB VAL 61 1.887 5.976 -8.962 420 HG11 VAL 61 1HG1 VAL 61 -0.158 3.984 -8.551 421 HG12 VAL 61 2HG1 VAL 61 -0.869 5.554 -8.935 422 HG13 VAL 61 3HG1 VAL 61 0.310 4.826 -10.028 423 HG21 VAL 61 1HG2 VAL 61 1.467 7.412 -7.078 424 HG22 VAL 61 2HG2 VAL 61 0.090 7.501 -8.176 425 HG23 VAL 61 3HG2 VAL 61 -0.022 6.547 -6.697 426 H LEU 62 H LEU 62 1.639 5.652 -4.944 427 HA LEU 62 HA LEU 62 4.197 7.053 -5.039 428 HB2 LEU 62 1HB LEU 62 1.996 7.116 -2.980 429 HB3 LEU 62 2HB LEU 62 3.439 8.127 -2.966 430 HG LEU 62 HG LEU 62 1.342 8.201 -5.132 431 HD11 LEU 62 1HD1 LEU 62 1.100 10.556 -3.855 432 HD12 LEU 62 2HD1 LEU 62 1.491 9.505 -2.494 433 HD13 LEU 62 3HD1 LEU 62 0.095 9.147 -3.512 434 HD21 LEU 62 1HD2 LEU 62 3.964 9.151 -5.068 435 HD22 LEU 62 2HD2 LEU 62 2.953 10.563 -4.757 436 HD23 LEU 62 3HD2 LEU 62 2.695 9.596 -6.210 437 H VAL 63 H VAL 63 3.765 4.060 -4.645 438 HA VAL 63 HA VAL 63 5.446 3.829 -2.238 439 HB VAL 63 HB VAL 63 4.410 1.660 -1.740 440 HG11 VAL 63 1HG1 VAL 63 1.978 2.738 -1.381 441 HG12 VAL 63 2HG1 VAL 63 3.376 3.146 -0.385 442 HG13 VAL 63 3HG1 VAL 63 2.904 4.200 -1.719 443 HG21 VAL 63 1HG2 VAL 63 3.210 2.084 -4.337 444 HG22 VAL 63 2HG2 VAL 63 3.337 0.605 -3.384 445 HG23 VAL 63 3HG2 VAL 63 1.994 1.716 -3.114 446 H GLU 64 H GLU 64 6.626 1.670 -2.201 447 HA GLU 64 HA GLU 64 7.442 0.913 -4.928 448 HB2 GLU 64 1HB GLU 64 9.718 0.878 -4.317 449 HB3 GLU 64 2HB GLU 64 9.090 2.379 -3.650 450 HG2 GLU 64 1HG GLU 64 10.292 1.624 -1.874 451 HG3 GLU 64 2HG GLU 64 8.725 0.902 -1.512 452 H GLU 65 H GLU 65 8.550 -1.229 -5.013 453 HA GLU 65 HA GLU 65 7.119 -3.111 -3.284 454 HB2 GLU 65 1HB GLU 65 7.102 -3.190 -5.876 455 HB3 GLU 65 2HB GLU 65 8.711 -3.878 -5.712 456 HG2 GLU 65 1HG GLU 65 7.502 -5.511 -4.057 457 HG3 GLU 65 2HG GLU 65 6.073 -5.026 -4.968 458 H LEU 66 H LEU 66 8.127 -4.263 -1.771 459 HA LEU 66 HA LEU 66 10.947 -3.888 -1.334 460 HB2 LEU 66 1HB LEU 66 8.883 -5.532 0.121 461 HB3 LEU 66 2HB LEU 66 10.558 -5.354 0.642 462 HG LEU 66 HG LEU 66 8.844 -2.929 0.285 463 HD11 LEU 66 1HD1 LEU 66 8.088 -3.096 2.577 464 HD12 LEU 66 2HD1 LEU 66 8.905 -4.648 2.761 465 HD13 LEU 66 3HD1 LEU 66 7.537 -4.498 1.659 466 HD21 LEU 66 1HD2 LEU 66 10.319 -1.995 1.925 467 HD22 LEU 66 2HD2 LEU 66 11.297 -2.773 0.680 468 HD23 LEU 66 3HD2 LEU 66 11.051 -3.570 2.235 469 H SER 67 H SER 67 12.374 -4.999 -2.493 470 HA SER 67 HA SER 67 11.735 -7.732 -3.332 471 HB2 SER 67 1HB SER 67 13.831 -5.753 -4.233 472 HB3 SER 67 2HB SER 67 13.834 -7.440 -4.747 473 HG SER 67 HG SER 67 12.332 -6.967 -6.124 474 H SER 68 H SER 68 14.481 -5.932 -1.940 475 HA SER 68 HA SER 68 15.609 -8.431 -0.942 476 HB2 SER 68 1HB SER 68 17.593 -7.140 -0.429 477 HB3 SER 68 2HB SER 68 17.066 -6.739 -2.064 478 HG SER 68 HG SER 68 17.372 -5.118 0.050 479 H GLY 69 H GLY 69 16.699 -8.125 1.338 480 HA2 GLY 69 1HA GLY 69 14.531 -7.771 3.184 481 HA3 GLY 69 2HA GLY 69 16.180 -8.226 3.586 482 HA PRO 70 HA PRO 70 16.697 -4.247 5.373 483 HB2 PRO 70 1HB PRO 70 19.406 -4.081 5.304 484 HB3 PRO 70 2HB PRO 70 18.536 -5.124 6.435 485 HG2 PRO 70 1HG PRO 70 19.859 -5.828 3.843 486 HG3 PRO 70 2HG PRO 70 19.888 -6.700 5.387 487 HD2 PRO 70 1HD PRO 70 18.282 -7.428 3.332 488 HD3 PRO 70 2HD PRO 70 17.819 -7.652 5.031 489 H SER 71 H SER 71 15.841 -2.791 3.910 490 HA SER 71 HA SER 71 17.776 -1.606 2.039 491 HB2 SER 71 1HB SER 71 16.041 -1.308 0.363 492 HB3 SER 71 2HB SER 71 16.142 -3.015 0.795 493 HG SER 71 HG SER 71 14.129 -1.157 1.309 494 H SER 72 H SER 72 18.193 0.357 2.796 495 HA SER 72 HA SER 72 16.082 1.859 4.161 496 HB2 SER 72 1HB SER 72 19.079 2.047 4.111 497 HB3 SER 72 2HB SER 72 18.115 3.432 4.624 498 HG SER 72 HG SER 72 18.770 1.261 6.021 499 H GLY 73 H GLY 73 15.974 4.228 3.732 500 HA2 GLY 73 1HA GLY 73 15.841 4.652 0.858 501 HA3 GLY 73 2HA GLY 73 15.179 5.704 2.100 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -0.630 -18.833 13.989 2 HA2 GLY 1 1HA GLY 1 1.588 -19.284 12.927 3 HA3 GLY 1 2HA GLY 1 0.648 -20.750 13.165 4 H SER 2 H SER 2 2.696 -19.775 11.108 5 HA SER 2 HA SER 2 1.362 -19.598 8.615 6 HB2 SER 2 1HB SER 2 3.634 -20.135 7.667 7 HB3 SER 2 2HB SER 2 3.610 -18.768 8.780 8 HG SER 2 HG SER 2 5.329 -20.112 9.302 9 H SER 3 H SER 3 0.185 -21.149 7.727 10 HA SER 3 HA SER 3 1.261 -23.831 7.492 11 HB2 SER 3 1HB SER 3 -1.407 -23.335 8.838 12 HB3 SER 3 2HB SER 3 -0.768 -24.915 8.385 13 HG SER 3 HG SER 3 1.132 -24.047 9.762 14 H GLY 4 H GLY 4 1.063 -24.274 5.404 15 HA2 GLY 4 1HA GLY 4 -0.446 -24.907 3.610 16 HA3 GLY 4 2HA GLY 4 -1.458 -23.541 4.057 17 H SER 5 H SER 5 -1.465 -22.417 2.176 18 HA SER 5 HA SER 5 1.155 -21.549 1.141 19 HB2 SER 5 1HB SER 5 -0.191 -22.986 -0.416 20 HB3 SER 5 2HB SER 5 -1.429 -21.730 -0.424 21 HG SER 5 HG SER 5 0.578 -20.366 -1.013 22 H SER 6 H SER 6 1.555 -19.417 0.988 23 HA SER 6 HA SER 6 -0.654 -17.515 1.214 24 HB2 SER 6 1HB SER 6 1.592 -17.836 3.172 25 HB3 SER 6 2HB SER 6 0.923 -16.232 2.876 26 HG SER 6 HG SER 6 -1.180 -17.288 3.308 27 H GLY 7 H GLY 7 -0.008 -15.295 0.686 28 HA2 GLY 7 1HA GLY 7 2.549 -14.986 -0.678 29 HA3 GLY 7 2HA GLY 7 1.115 -14.873 -1.687 30 H VAL 8 H VAL 8 2.010 -13.641 1.539 31 HA VAL 8 HA VAL 8 0.548 -11.269 1.350 32 HB VAL 8 HB VAL 8 2.099 -10.417 3.146 33 HG11 VAL 8 1HG1 VAL 8 0.577 -11.349 4.464 34 HG12 VAL 8 2HG1 VAL 8 0.193 -12.528 3.209 35 HG13 VAL 8 3HG1 VAL 8 1.454 -12.877 4.393 36 HG21 VAL 8 1HG2 VAL 8 3.979 -11.971 2.196 37 HG22 VAL 8 2HG2 VAL 8 3.886 -11.640 3.926 38 HG23 VAL 8 3HG2 VAL 8 3.263 -13.160 3.284 39 H CYS 9 H CYS 9 1.172 -9.119 0.946 40 HA CYS 9 HA CYS 9 3.728 -8.722 -0.429 41 HB2 CYS 9 1HB CYS 9 0.998 -8.340 -1.569 42 HB3 CYS 9 2HB CYS 9 2.250 -7.187 -2.015 43 HG CYS 9 HG CYS 9 1.727 -10.247 -3.134 44 H PHE 10 H PHE 10 4.638 -6.728 -0.150 45 HA PHE 10 HA PHE 10 3.088 -4.747 1.378 46 HB2 PHE 10 1HB PHE 10 5.977 -5.498 1.877 47 HB3 PHE 10 2HB PHE 10 5.073 -4.251 2.729 48 HD1 PHE 10 2HD PHE 10 5.215 -7.895 2.090 49 HD2 PHE 10 1HD PHE 10 3.773 -4.774 4.599 50 HE1 PHE 10 2HE PHE 10 4.471 -9.567 3.735 51 HE2 PHE 10 1HE PHE 10 3.028 -6.440 6.249 52 HZ PHE 10 HZ PHE 10 3.375 -8.840 5.818 53 H VAL 11 H VAL 11 4.142 -2.554 1.336 54 HA VAL 11 HA VAL 11 5.829 -2.037 -0.976 55 HB VAL 11 HB VAL 11 4.344 -0.395 -1.964 56 HG11 VAL 11 1HG1 VAL 11 2.927 -3.028 -1.559 57 HG12 VAL 11 2HG1 VAL 11 2.642 -1.883 -2.872 58 HG13 VAL 11 3HG1 VAL 11 4.194 -2.712 -2.745 59 HG21 VAL 11 1HG2 VAL 11 1.981 -0.236 -1.186 60 HG22 VAL 11 2HG2 VAL 11 2.430 -1.194 0.225 61 HG23 VAL 11 3HG2 VAL 11 3.158 0.391 -0.033 62 H LYS 12 H LYS 12 6.898 -0.055 -0.899 63 HA LYS 12 HA LYS 12 6.764 1.287 1.712 64 HB2 LYS 12 1HB LYS 12 8.933 0.265 1.033 65 HB3 LYS 12 2HB LYS 12 8.984 1.363 -0.340 66 HG2 LYS 12 1HG LYS 12 8.818 3.238 1.396 67 HG3 LYS 12 2HG LYS 12 9.235 1.995 2.578 68 HD2 LYS 12 1HD LYS 12 11.308 2.867 2.026 69 HD3 LYS 12 2HD LYS 12 11.193 1.472 0.951 70 HE2 LYS 12 1HE LYS 12 10.179 4.093 -0.023 71 HE3 LYS 12 2HE LYS 12 11.924 3.857 0.070 72 HZ1 LYS 12 1HZ LYS 12 9.960 2.546 -1.657 73 HZ2 LYS 12 2HZ LYS 12 11.297 1.638 -1.157 74 HZ3 LYS 12 3HZ LYS 12 11.525 3.079 -2.013 75 H ALA 13 H ALA 13 5.975 3.279 1.841 76 HA ALA 13 HA ALA 13 4.971 4.651 -0.422 77 HB1 ALA 13 1HB ALA 13 5.100 5.131 2.483 78 HB2 ALA 13 2HB ALA 13 4.952 6.566 1.468 79 HB3 ALA 13 3HB ALA 13 3.746 5.284 1.363 80 H LEU 14 H LEU 14 6.522 5.183 -1.905 81 HA LEU 14 HA LEU 14 9.078 6.129 -1.441 82 HB2 LEU 14 1HB LEU 14 7.215 6.813 -3.710 83 HB3 LEU 14 2HB LEU 14 8.953 7.109 -3.705 84 HG LEU 14 HG LEU 14 7.927 4.327 -3.328 85 HD11 LEU 14 1HD1 LEU 14 6.800 5.404 -5.326 86 HD12 LEU 14 2HD1 LEU 14 7.735 3.943 -5.642 87 HD13 LEU 14 3HD1 LEU 14 8.407 5.523 -6.042 88 HD21 LEU 14 1HD2 LEU 14 10.363 5.367 -4.760 89 HD22 LEU 14 2HD2 LEU 14 10.034 3.713 -4.243 90 HD23 LEU 14 3HD2 LEU 14 10.338 4.969 -3.042 91 H TYR 15 H TYR 15 6.030 7.868 -1.470 92 HA TYR 15 HA TYR 15 7.399 10.183 -0.315 93 HB2 TYR 15 1HB TYR 15 5.289 10.565 -2.429 94 HB3 TYR 15 2HB TYR 15 6.410 11.754 -1.775 95 HD1 TYR 15 1HD TYR 15 6.058 8.894 -4.060 96 HD2 TYR 15 2HD TYR 15 8.656 11.938 -2.615 97 HE1 TYR 15 1HE TYR 15 7.605 8.447 -5.919 98 HE2 TYR 15 2HE TYR 15 10.210 11.500 -4.470 99 HH TYR 15 HH TYR 15 10.434 10.464 -6.480 100 H ASP 16 H ASP 16 6.285 11.172 1.285 101 HA ASP 16 HA ASP 16 4.260 9.901 2.647 102 HB2 ASP 16 1HB ASP 16 3.880 12.063 3.804 103 HB3 ASP 16 2HB ASP 16 5.588 11.651 3.678 104 H TYR 17 H TYR 17 2.109 9.748 2.477 105 HA TYR 17 HA TYR 17 0.786 11.376 0.407 106 HB2 TYR 17 1HB TYR 17 0.880 8.972 -0.132 107 HB3 TYR 17 2HB TYR 17 0.046 8.605 1.374 108 HD1 TYR 17 2HD TYR 17 -0.584 11.202 -1.236 109 HD2 TYR 17 1HD TYR 17 -2.055 7.795 0.844 110 HE1 TYR 17 2HE TYR 17 -2.747 11.444 -2.382 111 HE2 TYR 17 1HE TYR 17 -4.222 8.026 -0.297 112 HH TYR 17 HH TYR 17 -5.399 9.151 -1.803 113 H GLU 18 H GLU 18 -0.846 12.652 1.004 114 HA GLU 18 HA GLU 18 -1.801 12.455 3.774 115 HB2 GLU 18 1HB GLU 18 -2.540 14.784 3.492 116 HB3 GLU 18 2HB GLU 18 -0.820 14.601 3.178 117 HG2 GLU 18 1HG GLU 18 -1.545 14.393 0.702 118 HG3 GLU 18 2HG GLU 18 -3.043 15.137 1.259 119 H GLY 19 H GLY 19 -3.396 10.900 3.577 120 HA2 GLY 19 1HA GLY 19 -5.290 10.660 1.562 121 HA3 GLY 19 2HA GLY 19 -5.532 10.138 3.222 122 H GLN 20 H GLN 20 -6.902 11.899 0.894 123 HA GLN 20 HA GLN 20 -7.563 14.366 1.956 124 HB2 GLN 20 1HB GLN 20 -9.221 12.502 0.254 125 HB3 GLN 20 2HB GLN 20 -9.664 14.170 0.594 126 HG2 GLN 20 1HG GLN 20 -7.176 13.260 -0.835 127 HG3 GLN 20 2HG GLN 20 -8.613 13.952 -1.586 128 HE21 GLN 20 1HE2 GLN 20 -5.701 14.575 0.117 129 HE22 GLN 20 2HE2 GLN 20 -5.788 16.300 0.084 130 H THR 21 H THR 21 -9.215 11.256 2.421 131 HA THR 21 HA THR 21 -10.531 12.418 4.789 132 HB THR 21 HB THR 21 -12.455 10.922 4.384 133 HG1 THR 21 1HG THR 21 -11.474 10.465 1.774 134 HG21 THR 21 1HG2 THR 21 -12.828 13.099 3.609 135 HG22 THR 21 2HG2 THR 21 -13.234 12.086 2.223 136 HG23 THR 21 3HG2 THR 21 -11.682 12.921 2.281 137 H ASP 22 H ASP 22 -11.357 10.611 6.281 138 HA ASP 22 HA ASP 22 -9.192 9.180 7.280 139 HB2 ASP 22 1HB ASP 22 -12.159 8.954 7.697 140 HB3 ASP 22 2HB ASP 22 -11.055 7.825 8.476 141 H ASP 23 H ASP 23 -11.798 8.139 5.130 142 HA ASP 23 HA ASP 23 -11.444 5.436 5.037 143 HB2 ASP 23 1HB ASP 23 -12.169 7.441 2.933 144 HB3 ASP 23 2HB ASP 23 -11.951 5.752 2.480 145 H GLU 24 H GLU 24 -9.477 7.891 3.428 146 HA GLU 24 HA GLU 24 -7.832 6.016 2.039 147 HB2 GLU 24 1HB GLU 24 -7.530 8.953 2.651 148 HB3 GLU 24 2HB GLU 24 -6.323 8.045 1.753 149 HG2 GLU 24 1HG GLU 24 -8.037 7.470 0.082 150 HG3 GLU 24 2HG GLU 24 -9.197 8.462 0.965 151 H LEU 25 H LEU 25 -5.276 6.576 2.435 152 HA LEU 25 HA LEU 25 -4.777 6.079 5.295 153 HB2 LEU 25 1HB LEU 25 -4.579 4.127 3.532 154 HB3 LEU 25 2HB LEU 25 -3.012 4.872 3.223 155 HG LEU 25 HG LEU 25 -2.530 4.604 5.685 156 HD11 LEU 25 1HD1 LEU 25 -3.868 3.313 7.056 157 HD12 LEU 25 2HD1 LEU 25 -4.714 2.564 5.703 158 HD13 LEU 25 3HD1 LEU 25 -5.056 4.238 6.138 159 HD21 LEU 25 1HD2 LEU 25 -2.928 2.256 3.854 160 HD22 LEU 25 2HD2 LEU 25 -2.185 2.090 5.445 161 HD23 LEU 25 3HD2 LEU 25 -1.439 3.124 4.226 162 H SER 26 H SER 26 -3.242 7.296 6.214 163 HA SER 26 HA SER 26 -1.598 8.983 4.444 164 HB2 SER 26 1HB SER 26 -1.571 10.653 6.206 165 HB3 SER 26 2HB SER 26 -3.242 10.205 5.865 166 HG SER 26 HG SER 26 -1.629 9.390 8.045 167 H PHE 27 H PHE 27 0.451 8.377 4.355 168 HA PHE 27 HA PHE 27 1.769 7.478 6.822 169 HB2 PHE 27 1HB PHE 27 3.116 5.978 5.072 170 HB3 PHE 27 2HB PHE 27 1.655 5.403 5.868 171 HD1 PHE 27 2HD PHE 27 2.805 7.135 2.784 172 HD2 PHE 27 1HD PHE 27 -0.117 4.630 4.601 173 HE1 PHE 27 2HE PHE 27 1.761 6.766 0.587 174 HE2 PHE 27 1HE PHE 27 -1.166 4.256 2.406 175 HZ PHE 27 HZ PHE 27 -0.228 5.326 0.396 176 HA PRO 28 HA PRO 28 4.888 10.387 5.762 177 HB2 PRO 28 1HB PRO 28 7.018 9.278 7.029 178 HB3 PRO 28 2HB PRO 28 5.700 10.081 7.890 179 HG2 PRO 28 1HG PRO 28 6.162 7.159 7.435 180 HG3 PRO 28 2HG PRO 28 5.637 7.992 8.909 181 HD2 PRO 28 1HD PRO 28 3.910 6.703 7.270 182 HD3 PRO 28 2HD PRO 28 3.452 8.150 8.192 183 H GLU 29 H GLU 29 7.375 10.279 5.096 184 HA GLU 29 HA GLU 29 7.417 8.898 2.579 185 HB2 GLU 29 1HB GLU 29 8.358 11.194 2.946 186 HB3 GLU 29 2HB GLU 29 9.646 10.459 3.890 187 HG2 GLU 29 1HG GLU 29 10.500 9.315 1.998 188 HG3 GLU 29 2HG GLU 29 9.085 9.728 1.031 189 H GLY 30 H GLY 30 7.632 6.727 2.759 190 HA2 GLY 30 1HA GLY 30 9.279 4.966 2.701 191 HA3 GLY 30 2HA GLY 30 10.115 5.768 4.023 192 H ALA 31 H ALA 31 6.680 4.947 3.654 193 HA ALA 31 HA ALA 31 6.854 3.490 6.201 194 HB1 ALA 31 1HB ALA 31 4.163 3.969 5.255 195 HB2 ALA 31 2HB ALA 31 4.922 4.431 6.779 196 HB3 ALA 31 3HB ALA 31 5.094 5.463 5.359 197 H ILE 32 H ILE 32 6.225 1.390 6.375 198 HA ILE 32 HA ILE 32 5.862 -0.064 3.875 199 HB ILE 32 HB ILE 32 6.169 -1.196 6.656 200 HG12 ILE 32 1HG1 ILE 32 8.141 0.095 6.207 201 HG13 ILE 32 2HG1 ILE 32 8.549 -1.597 5.944 202 HG21 ILE 32 1HG2 ILE 32 7.023 -2.675 4.247 203 HG22 ILE 32 2HG2 ILE 32 6.260 -3.255 5.726 204 HG23 ILE 32 3HG2 ILE 32 5.285 -2.481 4.477 205 HD11 ILE 32 1HD1 ILE 32 9.475 -0.059 4.245 206 HD12 ILE 32 2HD1 ILE 32 8.432 -1.311 3.570 207 HD13 ILE 32 3HD1 ILE 32 7.828 0.335 3.755 208 H ILE 33 H ILE 33 3.955 -0.762 3.184 209 HA ILE 33 HA ILE 33 1.726 -0.878 5.110 210 HB ILE 33 HB ILE 33 1.571 -0.351 2.140 211 HG12 ILE 33 1HG1 ILE 33 0.798 1.614 4.265 212 HG13 ILE 33 2HG1 ILE 33 2.491 1.453 3.812 213 HG21 ILE 33 1HG2 ILE 33 -0.417 -1.040 4.167 214 HG22 ILE 33 2HG2 ILE 33 -0.817 0.400 3.232 215 HG23 ILE 33 3HG2 ILE 33 -0.511 -1.129 2.408 216 HD11 ILE 33 1HD1 ILE 33 0.183 2.358 2.135 217 HD12 ILE 33 2HD1 ILE 33 1.687 3.203 2.504 218 HD13 ILE 33 3HD1 ILE 33 1.699 1.815 1.416 219 H ARG 34 H ARG 34 0.489 -2.687 5.212 220 HA ARG 34 HA ARG 34 1.489 -5.030 3.800 221 HB2 ARG 34 1HB ARG 34 1.168 -5.234 6.199 222 HB3 ARG 34 2HB ARG 34 -0.514 -4.744 6.045 223 HG2 ARG 34 1HG ARG 34 -0.987 -6.769 4.761 224 HG3 ARG 34 2HG ARG 34 0.700 -7.261 4.923 225 HD2 ARG 34 1HD ARG 34 0.478 -7.780 7.142 226 HD3 ARG 34 2HD ARG 34 -0.824 -6.618 7.393 227 HE ARG 34 HE ARG 34 -1.652 -8.731 5.687 228 HH11 ARG 34 2HH1 ARG 34 -1.027 -7.946 9.021 229 HH12 ARG 34 1HH1 ARG 34 -2.132 -9.127 9.642 230 HH21 ARG 34 2HH2 ARG 34 -3.110 -10.290 6.493 231 HH22 ARG 34 1HH2 ARG 34 -3.315 -10.460 8.203 232 H ILE 35 H ILE 35 0.666 -5.337 1.831 233 HA ILE 35 HA ILE 35 -1.784 -4.343 0.900 234 HB ILE 35 HB ILE 35 -0.234 -6.706 -0.167 235 HG12 ILE 35 1HG1 ILE 35 1.224 -4.810 -0.121 236 HG13 ILE 35 2HG1 ILE 35 0.660 -4.984 -1.779 237 HG21 ILE 35 1HG2 ILE 35 -1.423 -6.474 -2.178 238 HG22 ILE 35 2HG2 ILE 35 -2.646 -6.376 -0.912 239 HG23 ILE 35 3HG2 ILE 35 -2.080 -4.907 -1.707 240 HD11 ILE 35 1HD1 ILE 35 0.335 -2.769 -1.580 241 HD12 ILE 35 2HD1 ILE 35 -1.187 -3.281 -0.850 242 HD13 ILE 35 3HD1 ILE 35 0.178 -2.838 0.175 243 H LEU 36 H LEU 36 -3.801 -4.980 1.249 244 HA LEU 36 HA LEU 36 -4.255 -7.678 2.332 245 HB2 LEU 36 1HB LEU 36 -5.870 -5.147 2.574 246 HB3 LEU 36 2HB LEU 36 -6.427 -6.724 3.130 247 HG LEU 36 HG LEU 36 -3.956 -5.344 4.170 248 HD11 LEU 36 1HD1 LEU 36 -5.330 -4.879 6.174 249 HD12 LEU 36 2HD1 LEU 36 -6.754 -5.420 5.286 250 HD13 LEU 36 3HD1 LEU 36 -5.864 -3.997 4.743 251 HD21 LEU 36 1HD2 LEU 36 -3.926 -7.762 4.416 252 HD22 LEU 36 2HD2 LEU 36 -5.525 -7.723 5.159 253 HD23 LEU 36 3HD2 LEU 36 -4.151 -6.984 5.982 254 H ASN 37 H ASN 37 -5.681 -5.261 0.144 255 HA ASN 37 HA ASN 37 -6.726 -7.474 -1.480 256 HB2 ASN 37 1HB ASN 37 -8.229 -5.149 -0.347 257 HB3 ASN 37 2HB ASN 37 -8.699 -5.781 -1.922 258 HD21 ASN 37 1HD2 ASN 37 -10.064 -5.781 0.703 259 HD22 ASN 37 2HD2 ASN 37 -10.458 -7.435 1.008 260 H LYS 38 H LYS 38 -5.845 -7.351 -3.426 261 HA LYS 38 HA LYS 38 -5.500 -4.704 -4.659 262 HB2 LYS 38 1HB LYS 38 -3.399 -5.639 -5.729 263 HB3 LYS 38 2HB LYS 38 -3.296 -5.280 -4.011 264 HG2 LYS 38 1HG LYS 38 -3.376 -7.555 -3.423 265 HG3 LYS 38 2HG LYS 38 -3.910 -8.034 -5.035 266 HD2 LYS 38 1HD LYS 38 -1.200 -6.960 -4.258 267 HD3 LYS 38 2HD LYS 38 -1.585 -8.600 -4.786 268 HE2 LYS 38 1HE LYS 38 -2.484 -7.399 -6.919 269 HE3 LYS 38 2HE LYS 38 -1.460 -6.071 -6.376 270 HZ1 LYS 38 1HZ LYS 38 -0.646 -8.165 -7.885 271 HZ2 LYS 38 2HZ LYS 38 -0.135 -8.619 -6.338 272 HZ3 LYS 38 3HZ LYS 38 0.373 -7.147 -6.998 273 H GLU 39 H GLU 39 -7.452 -7.029 -4.863 274 HA GLU 39 HA GLU 39 -7.046 -8.097 -7.500 275 HB2 GLU 39 1HB GLU 39 -9.257 -9.112 -7.199 276 HB3 GLU 39 2HB GLU 39 -8.226 -9.402 -5.805 277 HG2 GLU 39 1HG GLU 39 -9.354 -7.563 -4.621 278 HG3 GLU 39 2HG GLU 39 -10.426 -7.358 -6.006 279 H ASN 40 H ASN 40 -6.865 -5.418 -7.771 280 HA ASN 40 HA ASN 40 -9.378 -4.714 -9.138 281 HB2 ASN 40 1HB ASN 40 -8.889 -3.370 -7.041 282 HB3 ASN 40 2HB ASN 40 -7.494 -2.710 -7.890 283 HD21 ASN 40 1HD2 ASN 40 -10.378 -1.856 -6.959 284 HD22 ASN 40 2HD2 ASN 40 -10.901 -0.873 -8.280 285 H GLN 41 H GLN 41 -9.198 -4.272 -11.240 286 HA GLN 41 HA GLN 41 -6.561 -3.535 -12.308 287 HB2 GLN 41 1HB GLN 41 -7.278 -6.004 -12.643 288 HB3 GLN 41 2HB GLN 41 -8.407 -5.354 -13.825 289 HG2 GLN 41 1HG GLN 41 -6.588 -4.417 -15.105 290 HG3 GLN 41 2HG GLN 41 -5.427 -4.942 -13.888 291 HE21 GLN 41 1HE2 GLN 41 -5.123 -5.659 -16.505 292 HE22 GLN 41 2HE2 GLN 41 -5.404 -7.355 -16.684 293 H ASP 42 H ASP 42 -8.451 -1.658 -11.719 294 HA ASP 42 HA ASP 42 -9.248 -0.767 -14.401 295 HB2 ASP 42 1HB ASP 42 -10.975 -0.989 -11.962 296 HB3 ASP 42 2HB ASP 42 -11.285 0.290 -13.133 297 H ASP 43 H ASP 43 -9.964 1.644 -14.245 298 HA ASP 43 HA ASP 43 -7.802 3.215 -13.672 299 HB2 ASP 43 1HB ASP 43 -10.715 4.030 -13.561 300 HB3 ASP 43 2HB ASP 43 -9.355 5.145 -13.679 301 H ASP 44 H ASP 44 -10.027 1.857 -11.448 302 HA ASP 44 HA ASP 44 -9.030 3.598 -9.295 303 HB2 ASP 44 1HB ASP 44 -11.591 3.180 -9.836 304 HB3 ASP 44 2HB ASP 44 -11.320 1.729 -8.875 305 H GLY 45 H GLY 45 -7.236 1.748 -10.132 306 HA2 GLY 45 1HA GLY 45 -7.455 -0.725 -8.696 307 HA3 GLY 45 2HA GLY 45 -6.027 -0.123 -9.525 308 H PHE 46 H PHE 46 -7.967 1.049 -6.772 309 HA PHE 46 HA PHE 46 -5.600 1.868 -5.367 310 HB2 PHE 46 1HB PHE 46 -8.528 1.837 -4.639 311 HB3 PHE 46 2HB PHE 46 -7.280 2.367 -3.516 312 HD1 PHE 46 2HD PHE 46 -7.937 2.950 -7.145 313 HD2 PHE 46 1HD PHE 46 -7.254 4.644 -3.301 314 HE1 PHE 46 2HE PHE 46 -8.017 5.204 -8.128 315 HE2 PHE 46 1HE PHE 46 -7.334 6.901 -4.278 316 HZ PHE 46 HZ PHE 46 -7.714 7.183 -6.694 317 H TRP 47 H TRP 47 -4.608 0.915 -3.653 318 HA TRP 47 HA TRP 47 -5.441 -1.836 -3.046 319 HB2 TRP 47 1HB TRP 47 -2.787 -0.423 -2.906 320 HB3 TRP 47 2HB TRP 47 -3.061 -1.943 -2.060 321 HD1 TRP 47 HD TRP 47 -5.031 -2.597 -4.894 322 HE1 TRP 47 1HE TRP 47 -3.727 -3.720 -6.808 323 HE3 TRP 47 3HE TRP 47 -0.269 -1.528 -3.371 324 HZ2 TRP 47 2HZ TRP 47 -1.037 -4.103 -7.571 325 HZ3 TRP 47 3HZ TRP 47 1.613 -2.309 -4.749 326 HH2 TRP 47 HH TRP 47 1.235 -3.570 -6.805 327 H GLU 48 H GLU 48 -5.649 -2.558 -0.930 328 HA GLU 48 HA GLU 48 -5.844 -0.423 1.091 329 HB2 GLU 48 1HB GLU 48 -7.970 -1.629 0.372 330 HB3 GLU 48 2HB GLU 48 -7.313 -3.055 1.163 331 HG2 GLU 48 1HG GLU 48 -7.296 -1.936 3.287 332 HG3 GLU 48 2HG GLU 48 -7.786 -0.419 2.534 333 H GLY 49 H GLY 49 -4.762 -0.623 2.976 334 HA2 GLY 49 1HA GLY 49 -3.684 -3.204 3.784 335 HA3 GLY 49 2HA GLY 49 -2.499 -1.979 3.358 336 H GLU 50 H GLU 50 -2.681 -3.171 5.900 337 HA GLU 50 HA GLU 50 -3.890 -1.109 7.592 338 HB2 GLU 50 1HB GLU 50 -4.361 -3.496 8.087 339 HB3 GLU 50 2HB GLU 50 -2.646 -3.749 8.382 340 HG2 GLU 50 1HG GLU 50 -2.979 -1.793 10.098 341 HG3 GLU 50 2HG GLU 50 -4.663 -2.310 10.024 342 H PHE 51 H PHE 51 -2.694 0.471 8.402 343 HA PHE 51 HA PHE 51 0.194 0.016 8.760 344 HB2 PHE 51 1HB PHE 51 -0.040 1.437 6.836 345 HB3 PHE 51 2HB PHE 51 -1.191 2.472 7.675 346 HD1 PHE 51 2HD PHE 51 2.346 1.394 7.613 347 HD2 PHE 51 1HD PHE 51 -0.466 4.285 8.972 348 HE1 PHE 51 2HE PHE 51 4.195 2.840 8.351 349 HE2 PHE 51 1HE PHE 51 1.378 5.737 9.711 350 HZ PHE 51 HZ PHE 51 3.712 5.014 9.402 351 H ASN 52 H ASN 52 1.061 0.657 10.659 352 HA ASN 52 HA ASN 52 0.941 1.008 12.938 353 HB2 ASN 52 1HB ASN 52 1.504 3.215 11.757 354 HB3 ASN 52 2HB ASN 52 -0.159 3.686 12.099 355 HD21 ASN 52 1HD2 ASN 52 0.061 5.198 13.612 356 HD22 ASN 52 2HD2 ASN 52 0.876 4.985 15.121 357 H GLY 53 H GLY 53 -1.422 -0.281 11.989 358 HA2 GLY 53 1HA GLY 53 -3.401 -0.941 12.989 359 HA3 GLY 53 2HA GLY 53 -3.162 0.310 14.200 360 H ARG 54 H ARG 54 -3.363 0.672 10.683 361 HA ARG 54 HA ARG 54 -5.978 1.950 10.956 362 HB2 ARG 54 1HB ARG 54 -3.491 3.275 9.896 363 HB3 ARG 54 2HB ARG 54 -5.098 3.814 9.428 364 HG2 ARG 54 1HG ARG 54 -5.514 3.943 11.989 365 HG3 ARG 54 2HG ARG 54 -3.752 3.963 12.085 366 HD2 ARG 54 1HD ARG 54 -3.619 5.946 10.787 367 HD3 ARG 54 2HD ARG 54 -5.320 5.842 10.335 368 HE ARG 54 HE ARG 54 -5.849 6.899 12.286 369 HH11 ARG 54 2HH1 ARG 54 -2.641 5.579 12.566 370 HH12 ARG 54 1HH1 ARG 54 -2.333 6.311 14.106 371 HH21 ARG 54 2HH2 ARG 54 -5.456 7.869 14.312 372 HH22 ARG 54 1HH2 ARG 54 -3.935 7.613 15.098 373 H ILE 55 H ILE 55 -7.303 1.273 9.409 374 HA ILE 55 HA ILE 55 -6.157 -0.066 7.067 375 HB ILE 55 HB ILE 55 -8.993 -0.111 8.106 376 HG12 ILE 55 1HG1 ILE 55 -6.890 -2.283 8.197 377 HG13 ILE 55 2HG1 ILE 55 -7.277 -1.232 9.555 378 HG21 ILE 55 1HG2 ILE 55 -7.886 -2.056 6.132 379 HG22 ILE 55 2HG2 ILE 55 -9.556 -1.568 6.414 380 HG23 ILE 55 3HG2 ILE 55 -8.448 -0.479 5.580 381 HD11 ILE 55 1HD1 ILE 55 -9.176 -2.333 10.031 382 HD12 ILE 55 2HD1 ILE 55 -9.554 -2.639 8.335 383 HD13 ILE 55 3HD1 ILE 55 -8.373 -3.647 9.171 384 H GLY 56 H GLY 56 -5.950 1.128 5.295 385 HA2 GLY 56 1HA GLY 56 -8.201 2.785 4.438 386 HA3 GLY 56 2HA GLY 56 -6.654 3.589 4.653 387 H VAL 57 H VAL 57 -7.707 3.782 2.226 388 HA VAL 57 HA VAL 57 -6.372 1.726 0.594 389 HB VAL 57 HB VAL 57 -7.794 2.458 -1.264 390 HG11 VAL 57 1HG1 VAL 57 -10.044 2.017 0.306 391 HG12 VAL 57 2HG1 VAL 57 -9.059 0.794 -0.498 392 HG13 VAL 57 3HG1 VAL 57 -8.731 1.230 1.180 393 HG21 VAL 57 1HG2 VAL 57 -8.759 4.448 0.758 394 HG22 VAL 57 2HG2 VAL 57 -8.231 4.718 -0.903 395 HG23 VAL 57 3HG2 VAL 57 -9.785 3.946 -0.586 396 H PHE 58 H PHE 58 -5.085 2.358 -1.174 397 HA PHE 58 HA PHE 58 -4.321 5.188 -1.287 398 HB2 PHE 58 1HB PHE 58 -1.902 4.216 -1.632 399 HB3 PHE 58 2HB PHE 58 -2.535 4.470 -0.008 400 HD1 PHE 58 2HD PHE 58 -3.879 2.371 0.940 401 HD2 PHE 58 1HD PHE 58 -0.872 2.221 -2.068 402 HE1 PHE 58 2HE PHE 58 -3.475 0.002 1.468 403 HE2 PHE 58 1HE PHE 58 -0.463 -0.149 -1.546 404 HZ PHE 58 HZ PHE 58 -1.765 -1.261 0.224 405 HA PRO 59 HA PRO 59 -4.359 4.731 -5.649 406 HB2 PRO 59 1HB PRO 59 -2.316 6.348 -6.413 407 HB3 PRO 59 2HB PRO 59 -3.849 6.967 -5.787 408 HG2 PRO 59 1HG PRO 59 -1.238 6.593 -4.371 409 HG3 PRO 59 2HG PRO 59 -2.371 7.955 -4.288 410 HD2 PRO 59 1HD PRO 59 -2.258 6.036 -2.381 411 HD3 PRO 59 2HD PRO 59 -3.767 6.867 -2.811 412 H SER 60 H SER 60 -1.960 3.401 -3.805 413 HA SER 60 HA SER 60 -0.181 2.014 -4.181 414 HB2 SER 60 1HB SER 60 -1.501 1.061 -6.689 415 HB3 SER 60 2HB SER 60 -0.756 0.129 -5.390 416 HG SER 60 HG SER 60 -3.073 0.008 -5.425 417 H VAL 61 H VAL 61 -0.109 4.672 -5.501 418 HA VAL 61 HA VAL 61 1.723 4.023 -7.719 419 HB VAL 61 HB VAL 61 1.246 6.170 -8.699 420 HG11 VAL 61 1HG1 VAL 61 -0.572 4.090 -8.512 421 HG12 VAL 61 2HG1 VAL 61 -1.540 5.534 -8.212 422 HG13 VAL 61 3HG1 VAL 61 -0.593 5.398 -9.693 423 HG21 VAL 61 1HG2 VAL 61 0.915 7.718 -7.043 424 HG22 VAL 61 2HG2 VAL 61 -0.751 7.453 -7.557 425 HG23 VAL 61 3HG2 VAL 61 -0.138 6.657 -6.108 426 H LEU 62 H LEU 62 1.292 5.730 -4.723 427 HA LEU 62 HA LEU 62 3.842 7.108 -4.958 428 HB2 LEU 62 1HB LEU 62 1.889 7.014 -2.664 429 HB3 LEU 62 2HB LEU 62 3.290 8.076 -2.791 430 HG LEU 62 HG LEU 62 0.918 8.157 -4.652 431 HD11 LEU 62 1HD1 LEU 62 1.573 10.020 -2.378 432 HD12 LEU 62 2HD1 LEU 62 0.348 8.754 -2.310 433 HD13 LEU 62 3HD1 LEU 62 0.172 10.089 -3.448 434 HD21 LEU 62 1HD2 LEU 62 2.033 9.679 -5.837 435 HD22 LEU 62 2HD2 LEU 62 3.479 9.141 -4.983 436 HD23 LEU 62 3HD2 LEU 62 2.568 10.530 -4.389 437 H VAL 63 H VAL 63 2.966 4.050 -4.256 438 HA VAL 63 HA VAL 63 5.065 3.699 -2.218 439 HB VAL 63 HB VAL 63 4.016 1.613 -1.595 440 HG11 VAL 63 1HG1 VAL 63 1.609 3.313 -1.696 441 HG12 VAL 63 2HG1 VAL 63 2.414 2.561 -0.317 442 HG13 VAL 63 3HG1 VAL 63 3.051 4.056 -1.004 443 HG21 VAL 63 1HG2 VAL 63 2.796 1.842 -4.166 444 HG22 VAL 63 2HG2 VAL 63 2.804 0.467 -3.062 445 HG23 VAL 63 3HG2 VAL 63 1.536 1.687 -2.942 446 H GLU 64 H GLU 64 6.331 1.684 -2.380 447 HA GLU 64 HA GLU 64 6.747 0.890 -5.188 448 HB2 GLU 64 1HB GLU 64 8.698 2.032 -4.823 449 HB3 GLU 64 2HB GLU 64 8.674 1.736 -3.090 450 HG2 GLU 64 1HG GLU 64 9.150 -0.547 -4.939 451 HG3 GLU 64 2HG GLU 64 10.454 0.598 -4.629 452 H GLU 65 H GLU 65 6.680 -1.225 -5.616 453 HA GLU 65 HA GLU 65 5.990 -3.076 -3.553 454 HB2 GLU 65 1HB GLU 65 5.377 -3.018 -6.127 455 HB3 GLU 65 2HB GLU 65 6.831 -3.997 -6.265 456 HG2 GLU 65 1HG GLU 65 4.825 -5.370 -6.111 457 HG3 GLU 65 2HG GLU 65 5.906 -5.640 -4.745 458 H LEU 66 H LEU 66 7.310 -4.215 -2.308 459 HA LEU 66 HA LEU 66 10.160 -4.187 -2.813 460 HB2 LEU 66 1HB LEU 66 8.593 -5.452 -0.570 461 HB3 LEU 66 2HB LEU 66 10.344 -5.263 -0.631 462 HG LEU 66 HG LEU 66 8.618 -2.833 -0.781 463 HD11 LEU 66 1HD1 LEU 66 9.298 -4.305 1.761 464 HD12 LEU 66 2HD1 LEU 66 7.685 -4.078 1.086 465 HD13 LEU 66 3HD1 LEU 66 8.603 -2.687 1.662 466 HD21 LEU 66 1HD2 LEU 66 10.575 -1.962 0.568 467 HD22 LEU 66 2HD2 LEU 66 10.922 -2.433 -1.096 468 HD23 LEU 66 3HD2 LEU 66 11.368 -3.501 0.236 469 H SER 67 H SER 67 11.431 -5.908 -3.338 470 HA SER 67 HA SER 67 10.020 -8.395 -4.054 471 HB2 SER 67 1HB SER 67 11.048 -7.029 -5.932 472 HB3 SER 67 2HB SER 67 12.623 -7.427 -5.247 473 HG SER 67 HG SER 67 12.264 -9.567 -5.674 474 H SER 68 H SER 68 10.719 -10.293 -3.250 475 HA SER 68 HA SER 68 13.032 -10.199 -1.433 476 HB2 SER 68 1HB SER 68 10.645 -10.819 -0.614 477 HB3 SER 68 2HB SER 68 10.948 -12.368 -1.399 478 HG SER 68 HG SER 68 11.580 -12.442 0.774 479 H GLY 69 H GLY 69 14.164 -12.365 -1.184 480 HA2 GLY 69 1HA GLY 69 15.263 -14.187 -2.082 481 HA3 GLY 69 2HA GLY 69 14.111 -14.173 -3.409 482 HA PRO 70 HA PRO 70 18.186 -12.961 -5.179 483 HB2 PRO 70 1HB PRO 70 17.853 -14.375 -7.472 484 HB3 PRO 70 2HB PRO 70 18.494 -15.089 -5.988 485 HG2 PRO 70 1HG PRO 70 15.719 -15.209 -7.102 486 HG3 PRO 70 2HG PRO 70 16.687 -16.501 -6.369 487 HD2 PRO 70 1HD PRO 70 14.747 -15.185 -5.013 488 HD3 PRO 70 2HD PRO 70 16.207 -15.814 -4.222 489 H SER 71 H SER 71 17.207 -10.823 -5.314 490 HA SER 71 HA SER 71 15.418 -10.173 -7.447 491 HB2 SER 71 1HB SER 71 17.113 -8.418 -5.655 492 HB3 SER 71 2HB SER 71 15.913 -7.811 -6.796 493 HG SER 71 HG SER 71 14.536 -9.478 -5.519 494 H SER 72 H SER 72 18.852 -9.414 -6.853 495 HA SER 72 HA SER 72 19.414 -8.135 -9.237 496 HB2 SER 72 1HB SER 72 20.929 -8.454 -7.197 497 HB3 SER 72 2HB SER 72 21.365 -10.011 -7.902 498 HG SER 72 HG SER 72 21.504 -7.746 -9.530 499 H GLY 73 H GLY 73 18.553 -8.989 -11.078 500 HA2 GLY 73 1HA GLY 73 19.677 -11.581 -11.929 501 HA3 GLY 73 2HA GLY 73 17.972 -11.221 -12.162 Start of MODEL 8 1 H1 GLY 1 H GLY 1 4.734 -30.838 -3.976 2 HA2 GLY 1 1HA GLY 1 4.681 -28.370 -5.216 3 HA3 GLY 1 2HA GLY 1 3.628 -29.710 -5.644 4 H SER 2 H SER 2 3.607 -26.562 -4.831 5 HA SER 2 HA SER 2 0.797 -26.634 -4.147 6 HB2 SER 2 1HB SER 2 1.930 -26.804 -1.940 7 HB3 SER 2 2HB SER 2 2.759 -25.283 -2.276 8 HG SER 2 HG SER 2 -0.017 -25.315 -2.517 9 H SER 3 H SER 3 -0.173 -25.107 -5.294 10 HA SER 3 HA SER 3 1.398 -22.748 -6.100 11 HB2 SER 3 1HB SER 3 0.676 -24.358 -7.928 12 HB3 SER 3 2HB SER 3 -0.983 -23.870 -7.584 13 HG SER 3 HG SER 3 0.905 -22.593 -9.026 14 H GLY 4 H GLY 4 0.602 -20.753 -5.703 15 HA2 GLY 4 1HA GLY 4 -0.942 -19.108 -5.146 16 HA3 GLY 4 2HA GLY 4 -2.194 -20.340 -5.092 17 H SER 5 H SER 5 0.754 -19.423 -3.308 18 HA SER 5 HA SER 5 -0.500 -20.343 -0.834 19 HB2 SER 5 1HB SER 5 1.724 -20.092 0.163 20 HB3 SER 5 2HB SER 5 1.815 -21.059 -1.308 21 HG SER 5 HG SER 5 2.881 -19.493 -2.295 22 H SER 6 H SER 6 -0.829 -19.026 0.950 23 HA SER 6 HA SER 6 -1.445 -16.298 0.367 24 HB2 SER 6 1HB SER 6 -2.600 -17.932 2.040 25 HB3 SER 6 2HB SER 6 -1.341 -17.405 3.158 26 HG SER 6 HG SER 6 -3.575 -16.189 2.698 27 H GLY 7 H GLY 7 0.293 -15.025 -0.028 28 HA2 GLY 7 1HA GLY 7 2.286 -14.818 2.144 29 HA3 GLY 7 2HA GLY 7 2.744 -14.736 0.449 30 H VAL 8 H VAL 8 0.946 -13.102 3.004 31 HA VAL 8 HA VAL 8 0.005 -10.853 1.862 32 HB VAL 8 HB VAL 8 0.538 -9.611 3.918 33 HG11 VAL 8 1HG1 VAL 8 -1.359 -11.206 3.822 34 HG12 VAL 8 2HG1 VAL 8 -0.309 -12.443 4.516 35 HG13 VAL 8 3HG1 VAL 8 -0.703 -10.996 5.446 36 HG21 VAL 8 1HG2 VAL 8 2.595 -11.658 4.126 37 HG22 VAL 8 2HG2 VAL 8 2.496 -10.072 4.892 38 HG23 VAL 8 3HG2 VAL 8 1.677 -11.455 5.618 39 H CYS 9 H CYS 9 0.770 -9.282 0.618 40 HA CYS 9 HA CYS 9 3.629 -9.057 0.186 41 HB2 CYS 9 1HB CYS 9 1.198 -7.925 -1.169 42 HB3 CYS 9 2HB CYS 9 2.796 -7.270 -1.506 43 HG CYS 9 HG CYS 9 3.833 -9.530 -2.625 44 H PHE 10 H PHE 10 4.694 -6.944 0.153 45 HA PHE 10 HA PHE 10 3.506 -4.975 1.975 46 HB2 PHE 10 1HB PHE 10 6.211 -6.278 2.241 47 HB3 PHE 10 2HB PHE 10 5.847 -4.725 2.985 48 HD1 PHE 10 1HD PHE 10 4.157 -4.571 4.767 49 HD2 PHE 10 2HD PHE 10 5.372 -8.312 3.141 50 HE1 PHE 10 1HE PHE 10 3.183 -5.727 6.708 51 HE2 PHE 10 2HE PHE 10 4.399 -9.474 5.079 52 HZ PHE 10 HZ PHE 10 3.302 -8.182 6.865 53 H VAL 11 H VAL 11 4.231 -2.841 1.701 54 HA VAL 11 HA VAL 11 6.066 -2.312 -0.514 55 HB VAL 11 HB VAL 11 4.513 -0.595 -1.439 56 HG11 VAL 11 1HG1 VAL 11 4.719 -2.693 -2.581 57 HG12 VAL 11 2HG1 VAL 11 3.594 -3.466 -1.462 58 HG13 VAL 11 3HG1 VAL 11 3.018 -2.228 -2.578 59 HG21 VAL 11 1HG2 VAL 11 2.021 -1.213 -0.819 60 HG22 VAL 11 2HG2 VAL 11 2.769 -1.706 0.700 61 HG23 VAL 11 3HG2 VAL 11 2.942 -0.046 0.131 62 H LYS 12 H LYS 12 7.012 -0.240 -0.479 63 HA LYS 12 HA LYS 12 6.849 1.071 2.145 64 HB2 LYS 12 1HB LYS 12 9.068 0.337 1.673 65 HB3 LYS 12 2HB LYS 12 9.013 0.999 0.045 66 HG2 LYS 12 1HG LYS 12 9.195 3.207 0.817 67 HG3 LYS 12 2HG LYS 12 8.811 2.744 2.477 68 HD2 LYS 12 1HD LYS 12 10.918 1.953 2.889 69 HD3 LYS 12 2HD LYS 12 11.204 1.524 1.201 70 HE2 LYS 12 1HE LYS 12 11.826 3.664 0.624 71 HE3 LYS 12 2HE LYS 12 10.915 4.398 1.942 72 HZ1 LYS 12 1HZ LYS 12 12.580 3.360 3.474 73 HZ2 LYS 12 2HZ LYS 12 13.189 4.590 2.485 74 HZ3 LYS 12 3HZ LYS 12 13.507 2.971 2.112 75 H ALA 13 H ALA 13 6.788 3.354 2.294 76 HA ALA 13 HA ALA 13 5.389 4.601 0.053 77 HB1 ALA 13 1HB ALA 13 5.784 5.610 2.867 78 HB2 ALA 13 2HB ALA 13 4.738 6.320 1.636 79 HB3 ALA 13 3HB ALA 13 4.375 4.721 2.287 80 H LEU 14 H LEU 14 6.803 5.373 -1.413 81 HA LEU 14 HA LEU 14 9.377 6.335 -0.895 82 HB2 LEU 14 1HB LEU 14 7.538 7.055 -3.172 83 HB3 LEU 14 2HB LEU 14 9.282 7.305 -3.137 84 HG LEU 14 HG LEU 14 7.987 4.588 -2.997 85 HD11 LEU 14 1HD1 LEU 14 8.781 6.271 -5.332 86 HD12 LEU 14 2HD1 LEU 14 7.358 5.253 -5.113 87 HD13 LEU 14 3HD1 LEU 14 8.930 4.515 -5.416 88 HD21 LEU 14 1HD2 LEU 14 10.806 5.559 -3.395 89 HD22 LEU 14 2HD2 LEU 14 10.293 3.914 -3.771 90 HD23 LEU 14 3HD2 LEU 14 10.183 4.517 -2.116 91 H TYR 15 H TYR 15 6.275 8.008 -1.085 92 HA TYR 15 HA TYR 15 7.554 10.355 0.137 93 HB2 TYR 15 1HB TYR 15 5.350 10.619 -1.899 94 HB3 TYR 15 2HB TYR 15 6.420 11.871 -1.279 95 HD1 TYR 15 1HD TYR 15 6.244 8.905 -3.477 96 HD2 TYR 15 2HD TYR 15 8.535 12.285 -2.280 97 HE1 TYR 15 1HE TYR 15 7.751 8.554 -5.389 98 HE2 TYR 15 2HE TYR 15 10.047 11.944 -4.190 99 HH TYR 15 HH TYR 15 10.741 10.191 -5.697 100 H ASP 16 H ASP 16 6.483 11.221 1.820 101 HA ASP 16 HA ASP 16 4.484 9.821 3.147 102 HB2 ASP 16 1HB ASP 16 4.232 11.832 4.551 103 HB3 ASP 16 2HB ASP 16 5.926 11.437 4.276 104 H TYR 17 H TYR 17 2.507 9.421 2.408 105 HA TYR 17 HA TYR 17 1.156 11.308 0.669 106 HB2 TYR 17 1HB TYR 17 1.135 8.798 0.322 107 HB3 TYR 17 2HB TYR 17 0.081 8.691 1.727 108 HD1 TYR 17 2HD TYR 17 0.094 11.192 -1.035 109 HD2 TYR 17 1HD TYR 17 -1.979 8.009 0.881 110 HE1 TYR 17 2HE TYR 17 -1.858 11.605 -2.474 111 HE2 TYR 17 1HE TYR 17 -3.936 8.412 -0.554 112 HH TYR 17 HH TYR 17 -4.885 9.860 -2.010 113 H GLU 18 H GLU 18 -0.814 12.309 1.107 114 HA GLU 18 HA GLU 18 -1.588 12.361 3.951 115 HB2 GLU 18 1HB GLU 18 -1.145 14.573 2.002 116 HB3 GLU 18 2HB GLU 18 -2.421 14.768 3.195 117 HG2 GLU 18 1HG GLU 18 -0.860 14.513 4.995 118 HG3 GLU 18 2HG GLU 18 0.436 14.113 3.869 119 H GLY 19 H GLY 19 -3.125 10.682 3.426 120 HA2 GLY 19 1HA GLY 19 -5.056 10.596 1.529 121 HA3 GLY 19 2HA GLY 19 -5.354 10.114 3.193 122 H GLN 20 H GLN 20 -6.571 11.921 0.802 123 HA GLN 20 HA GLN 20 -7.172 14.391 2.014 124 HB2 GLN 20 1HB GLN 20 -8.670 12.865 -0.121 125 HB3 GLN 20 2HB GLN 20 -8.970 14.544 0.309 126 HG2 GLN 20 1HG GLN 20 -6.426 13.422 -0.842 127 HG3 GLN 20 2HG GLN 20 -7.619 14.407 -1.687 128 HE21 GLN 20 1HE2 GLN 20 -4.741 14.827 -1.116 129 HE22 GLN 20 2HE2 GLN 20 -4.655 16.366 -0.335 130 H THR 21 H THR 21 -8.901 11.306 1.942 131 HA THR 21 HA THR 21 -10.598 12.303 4.133 132 HB THR 21 HB THR 21 -12.455 10.908 3.265 133 HG1 THR 21 1HG THR 21 -12.133 9.636 1.604 134 HG21 THR 21 1HG2 THR 21 -11.478 13.367 2.190 135 HG22 THR 21 2HG2 THR 21 -13.146 12.825 2.367 136 HG23 THR 21 3HG2 THR 21 -12.247 12.446 0.899 137 H ASP 22 H ASP 22 -11.439 10.632 5.552 138 HA ASP 22 HA ASP 22 -9.575 8.950 6.614 139 HB2 ASP 22 1HB ASP 22 -12.582 8.661 6.588 140 HB3 ASP 22 2HB ASP 22 -11.524 7.657 7.576 141 H ASP 23 H ASP 23 -11.935 8.167 4.096 142 HA ASP 23 HA ASP 23 -11.636 5.467 3.841 143 HB2 ASP 23 1HB ASP 23 -12.129 7.652 1.868 144 HB3 ASP 23 2HB ASP 23 -11.812 6.031 1.256 145 H GLU 24 H GLU 24 -9.438 7.971 2.678 146 HA GLU 24 HA GLU 24 -7.672 6.067 1.424 147 HB2 GLU 24 1HB GLU 24 -7.445 9.031 1.949 148 HB3 GLU 24 2HB GLU 24 -6.187 8.095 1.155 149 HG2 GLU 24 1HG GLU 24 -8.948 7.945 0.073 150 HG3 GLU 24 2HG GLU 24 -8.007 9.408 -0.215 151 H LEU 25 H LEU 25 -5.180 6.666 2.034 152 HA LEU 25 HA LEU 25 -4.957 6.292 4.948 153 HB2 LEU 25 1HB LEU 25 -4.511 4.308 3.266 154 HB3 LEU 25 2HB LEU 25 -2.947 5.103 3.103 155 HG LEU 25 HG LEU 25 -2.717 4.906 5.608 156 HD11 LEU 25 1HD1 LEU 25 -4.102 3.130 6.660 157 HD12 LEU 25 2HD1 LEU 25 -5.130 3.142 5.228 158 HD13 LEU 25 3HD1 LEU 25 -5.007 4.584 6.236 159 HD21 LEU 25 1HD2 LEU 25 -2.010 2.587 5.515 160 HD22 LEU 25 2HD2 LEU 25 -1.571 3.420 4.023 161 HD23 LEU 25 3HD2 LEU 25 -2.961 2.334 4.052 162 H SER 26 H SER 26 -3.222 7.255 5.987 163 HA SER 26 HA SER 26 -1.594 9.084 4.347 164 HB2 SER 26 1HB SER 26 -2.693 9.660 7.109 165 HB3 SER 26 2HB SER 26 -1.722 10.752 6.122 166 HG SER 26 HG SER 26 -3.776 11.360 5.735 167 H PHE 27 H PHE 27 0.463 8.505 4.429 168 HA PHE 27 HA PHE 27 1.590 7.647 7.002 169 HB2 PHE 27 1HB PHE 27 3.093 6.152 5.373 170 HB3 PHE 27 2HB PHE 27 1.587 5.561 6.068 171 HD1 PHE 27 2HD PHE 27 3.101 7.024 3.034 172 HD2 PHE 27 1HD PHE 27 -0.247 4.998 4.707 173 HE1 PHE 27 2HE PHE 27 2.225 6.613 0.773 174 HE2 PHE 27 1HE PHE 27 -1.129 4.582 2.448 175 HZ PHE 27 HZ PHE 27 0.106 5.391 0.477 176 HA PRO 28 HA PRO 28 4.796 10.533 6.183 177 HB2 PRO 28 1HB PRO 28 6.872 9.370 7.489 178 HB3 PRO 28 2HB PRO 28 5.521 10.142 8.328 179 HG2 PRO 28 1HG PRO 28 5.998 7.238 7.777 180 HG3 PRO 28 2HG PRO 28 5.415 8.015 9.261 181 HD2 PRO 28 1HD PRO 28 3.753 6.797 7.504 182 HD3 PRO 28 2HD PRO 28 3.261 8.207 8.464 183 H GLU 29 H GLU 29 7.445 10.208 5.813 184 HA GLU 29 HA GLU 29 7.545 8.954 3.189 185 HB2 GLU 29 1HB GLU 29 8.406 11.244 3.472 186 HB3 GLU 29 2HB GLU 29 9.593 10.652 4.626 187 HG2 GLU 29 1HG GLU 29 10.416 9.145 2.738 188 HG3 GLU 29 2HG GLU 29 9.455 10.169 1.673 189 H GLY 30 H GLY 30 7.954 6.831 3.208 190 HA2 GLY 30 1HA GLY 30 9.568 5.090 3.276 191 HA3 GLY 30 2HA GLY 30 10.377 5.929 4.591 192 H ALA 31 H ALA 31 7.017 4.847 4.106 193 HA ALA 31 HA ALA 31 7.240 3.386 6.658 194 HB1 ALA 31 1HB ALA 31 4.550 4.167 5.744 195 HB2 ALA 31 2HB ALA 31 5.254 4.188 7.362 196 HB3 ALA 31 3HB ALA 31 5.612 5.490 6.228 197 H ILE 32 H ILE 32 6.799 1.269 6.645 198 HA ILE 32 HA ILE 32 6.204 -0.022 4.138 199 HB ILE 32 HB ILE 32 6.532 -1.254 6.876 200 HG12 ILE 32 1HG1 ILE 32 8.520 0.034 6.081 201 HG13 ILE 32 2HG1 ILE 32 8.827 -1.690 6.263 202 HG21 ILE 32 1HG2 ILE 32 7.124 -2.764 4.409 203 HG22 ILE 32 2HG2 ILE 32 6.408 -3.302 5.928 204 HG23 ILE 32 3HG2 ILE 32 5.423 -2.441 4.745 205 HD11 ILE 32 1HD1 ILE 32 9.375 -1.901 4.126 206 HD12 ILE 32 2HD1 ILE 32 7.943 -1.022 3.591 207 HD13 ILE 32 3HD1 ILE 32 9.396 -0.139 4.059 208 H ILE 33 H ILE 33 4.360 -1.067 3.551 209 HA ILE 33 HA ILE 33 2.099 -0.972 5.437 210 HB ILE 33 HB ILE 33 1.956 -0.458 2.464 211 HG12 ILE 33 1HG1 ILE 33 1.194 1.529 4.570 212 HG13 ILE 33 2HG1 ILE 33 2.892 1.335 4.148 213 HG21 ILE 33 1HG2 ILE 33 -0.038 -1.551 3.118 214 HG22 ILE 33 2HG2 ILE 33 -0.154 -0.605 4.602 215 HG23 ILE 33 3HG2 ILE 33 -0.422 0.169 3.040 216 HD11 ILE 33 1HD1 ILE 33 1.965 1.617 1.704 217 HD12 ILE 33 2HD1 ILE 33 0.650 2.435 2.549 218 HD13 ILE 33 3HD1 ILE 33 2.307 3.011 2.729 219 H ARG 34 H ARG 34 0.596 -2.655 5.315 220 HA ARG 34 HA ARG 34 1.637 -5.082 4.054 221 HB2 ARG 34 1HB ARG 34 1.178 -5.270 6.421 222 HB3 ARG 34 2HB ARG 34 -0.459 -4.671 6.190 223 HG2 ARG 34 1HG ARG 34 -1.041 -6.661 4.937 224 HG3 ARG 34 2HG ARG 34 0.615 -7.254 5.076 225 HD2 ARG 34 1HD ARG 34 -0.474 -8.396 6.772 226 HD3 ARG 34 2HD ARG 34 0.227 -7.020 7.623 227 HE ARG 34 HE ARG 34 -2.326 -6.275 6.827 228 HH11 ARG 34 2HH1 ARG 34 -0.843 -8.628 8.921 229 HH12 ARG 34 1HH1 ARG 34 -2.185 -8.693 10.015 230 HH21 ARG 34 2HH2 ARG 34 -4.100 -6.352 8.260 231 HH22 ARG 34 1HH2 ARG 34 -4.037 -7.399 9.638 232 H ILE 35 H ILE 35 0.969 -4.996 1.951 233 HA ILE 35 HA ILE 35 -1.498 -4.077 1.020 234 HB ILE 35 HB ILE 35 0.292 -6.182 -0.201 235 HG12 ILE 35 1HG1 ILE 35 1.328 -3.936 0.224 236 HG13 ILE 35 2HG1 ILE 35 1.268 -4.391 -1.475 237 HG21 ILE 35 1HG2 ILE 35 -1.060 -4.817 -2.214 238 HG22 ILE 35 2HG2 ILE 35 -1.339 -6.474 -1.683 239 HG23 ILE 35 3HG2 ILE 35 -2.287 -5.157 -0.993 240 HD11 ILE 35 1HD1 ILE 35 -1.104 -2.966 -0.863 241 HD12 ILE 35 2HD1 ILE 35 0.272 -2.057 -0.237 242 HD13 ILE 35 3HD1 ILE 35 0.216 -2.510 -1.940 243 H LEU 36 H LEU 36 -3.425 -4.811 1.623 244 HA LEU 36 HA LEU 36 -3.786 -7.601 2.355 245 HB2 LEU 36 1HB LEU 36 -5.643 -5.230 2.427 246 HB3 LEU 36 2HB LEU 36 -6.099 -6.855 2.931 247 HG LEU 36 HG LEU 36 -3.816 -5.378 4.211 248 HD11 LEU 36 1HD1 LEU 36 -5.171 -4.247 5.630 249 HD12 LEU 36 2HD1 LEU 36 -6.450 -5.458 5.554 250 HD13 LEU 36 3HD1 LEU 36 -6.256 -4.298 4.240 251 HD21 LEU 36 1HD2 LEU 36 -5.304 -7.118 5.914 252 HD22 LEU 36 2HD2 LEU 36 -3.616 -7.229 5.415 253 HD23 LEU 36 3HD2 LEU 36 -4.877 -7.983 4.437 254 H ASN 37 H ASN 37 -5.112 -5.286 0.007 255 HA ASN 37 HA ASN 37 -5.723 -7.530 -1.767 256 HB2 ASN 37 1HB ASN 37 -7.702 -5.362 -1.028 257 HB3 ASN 37 2HB ASN 37 -7.939 -6.547 -2.309 258 HD21 ASN 37 1HD2 ASN 37 -9.611 -7.677 -1.527 259 HD22 ASN 37 2HD2 ASN 37 -9.599 -8.545 -0.033 260 H LYS 38 H LYS 38 -4.711 -7.145 -3.612 261 HA LYS 38 HA LYS 38 -4.449 -4.355 -4.523 262 HB2 LYS 38 1HB LYS 38 -2.401 -4.990 -5.647 263 HB3 LYS 38 2HB LYS 38 -2.302 -5.447 -3.952 264 HG2 LYS 38 1HG LYS 38 -2.324 -7.678 -4.406 265 HG3 LYS 38 2HG LYS 38 -3.271 -7.482 -5.882 266 HD2 LYS 38 1HD LYS 38 -1.091 -8.126 -6.559 267 HD3 LYS 38 2HD LYS 38 -1.232 -6.401 -6.904 268 HE2 LYS 38 1HE LYS 38 -0.036 -7.437 -4.349 269 HE3 LYS 38 2HE LYS 38 0.926 -7.197 -5.807 270 HZ1 LYS 38 1HZ LYS 38 -0.503 -4.870 -5.475 271 HZ2 LYS 38 2HZ LYS 38 1.146 -5.098 -5.175 272 HZ3 LYS 38 3HZ LYS 38 0.026 -5.276 -3.920 273 H GLU 39 H GLU 39 -5.640 -7.485 -5.246 274 HA GLU 39 HA GLU 39 -5.785 -7.160 -8.091 275 HB2 GLU 39 1HB GLU 39 -6.787 -9.156 -6.113 276 HB3 GLU 39 2HB GLU 39 -7.535 -9.112 -7.703 277 HG2 GLU 39 1HG GLU 39 -5.898 -10.651 -8.065 278 HG3 GLU 39 2HG GLU 39 -5.047 -9.178 -8.527 279 H ASN 40 H ASN 40 -6.800 -5.082 -8.225 280 HA ASN 40 HA ASN 40 -9.720 -5.243 -7.901 281 HB2 ASN 40 1HB ASN 40 -8.616 -3.793 -6.149 282 HB3 ASN 40 2HB ASN 40 -8.113 -2.724 -7.455 283 HD21 ASN 40 1HD2 ASN 40 -9.302 -0.961 -7.127 284 HD22 ASN 40 2HD2 ASN 40 -11.028 -0.927 -7.047 285 H GLN 41 H GLN 41 -10.939 -4.393 -9.543 286 HA GLN 41 HA GLN 41 -9.467 -3.263 -11.830 287 HB2 GLN 41 1HB GLN 41 -11.807 -5.175 -11.914 288 HB3 GLN 41 2HB GLN 41 -11.071 -4.414 -13.318 289 HG2 GLN 41 1HG GLN 41 -9.038 -5.602 -12.999 290 HG3 GLN 41 2HG GLN 41 -9.565 -6.196 -11.425 291 HE21 GLN 41 1HE2 GLN 41 -9.725 -8.320 -11.653 292 HE22 GLN 41 2HE2 GLN 41 -10.619 -9.134 -12.886 293 H ASP 42 H ASP 42 -12.469 -3.360 -10.001 294 HA ASP 42 HA ASP 42 -14.130 -1.709 -11.373 295 HB2 ASP 42 1HB ASP 42 -14.931 -2.580 -9.332 296 HB3 ASP 42 2HB ASP 42 -13.593 -1.892 -8.416 297 H ASP 43 H ASP 43 -12.112 -0.369 -8.763 298 HA ASP 43 HA ASP 43 -12.334 2.288 -9.658 299 HB2 ASP 43 1HB ASP 43 -10.474 0.890 -7.755 300 HB3 ASP 43 2HB ASP 43 -10.244 2.591 -8.152 301 H ASP 44 H ASP 44 -9.983 3.489 -9.843 302 HA ASP 44 HA ASP 44 -9.111 2.852 -12.474 303 HB2 ASP 44 1HB ASP 44 -8.158 4.824 -10.403 304 HB3 ASP 44 2HB ASP 44 -7.358 4.649 -11.963 305 H GLY 45 H GLY 45 -7.417 2.794 -9.332 306 HA2 GLY 45 1HA GLY 45 -6.121 0.346 -9.798 307 HA3 GLY 45 2HA GLY 45 -5.041 1.642 -10.289 308 H PHE 46 H PHE 46 -7.346 1.491 -7.593 309 HA PHE 46 HA PHE 46 -5.154 2.215 -5.788 310 HB2 PHE 46 1HB PHE 46 -8.152 2.442 -5.568 311 HB3 PHE 46 2HB PHE 46 -7.095 2.666 -4.179 312 HD1 PHE 46 2HD PHE 46 -6.969 3.778 -7.741 313 HD2 PHE 46 1HD PHE 46 -6.904 4.879 -3.629 314 HE1 PHE 46 2HE PHE 46 -6.637 6.131 -8.379 315 HE2 PHE 46 1HE PHE 46 -6.573 7.234 -4.261 316 HZ PHE 46 HZ PHE 46 -6.438 7.862 -6.639 317 H TRP 47 H TRP 47 -4.674 1.048 -3.948 318 HA TRP 47 HA TRP 47 -5.885 -1.635 -3.805 319 HB2 TRP 47 1HB TRP 47 -3.073 -0.749 -3.134 320 HB3 TRP 47 2HB TRP 47 -3.712 -2.354 -2.792 321 HD1 TRP 47 HD TRP 47 -5.296 -2.015 -5.857 322 HE1 TRP 47 1HE TRP 47 -3.877 -2.773 -7.866 323 HE3 TRP 47 3HE TRP 47 -0.678 -1.942 -3.664 324 HZ2 TRP 47 2HZ TRP 47 -1.160 -3.274 -8.445 325 HZ3 TRP 47 3HZ TRP 47 1.279 -2.575 -5.014 326 HH2 TRP 47 HH TRP 47 1.041 -3.227 -7.355 327 H GLU 48 H GLU 48 -5.712 -2.641 -1.588 328 HA GLU 48 HA GLU 48 -6.173 -0.604 0.491 329 HB2 GLU 48 1HB GLU 48 -8.183 -2.001 -0.434 330 HB3 GLU 48 2HB GLU 48 -7.516 -3.282 0.569 331 HG2 GLU 48 1HG GLU 48 -7.862 -2.063 2.545 332 HG3 GLU 48 2HG GLU 48 -8.140 -0.561 1.665 333 H GLY 49 H GLY 49 -4.884 -0.742 2.206 334 HA2 GLY 49 1HA GLY 49 -3.877 -3.344 3.068 335 HA3 GLY 49 2HA GLY 49 -2.679 -2.150 2.590 336 H GLU 50 H GLU 50 -2.759 -3.262 5.146 337 HA GLU 50 HA GLU 50 -3.787 -1.054 6.798 338 HB2 GLU 50 1HB GLU 50 -4.689 -3.269 7.363 339 HB3 GLU 50 2HB GLU 50 -3.057 -3.874 7.608 340 HG2 GLU 50 1HG GLU 50 -2.939 -1.881 9.323 341 HG3 GLU 50 2HG GLU 50 -4.691 -2.074 9.311 342 H PHE 51 H PHE 51 -2.356 0.327 7.588 343 HA PHE 51 HA PHE 51 0.473 -0.453 7.651 344 HB2 PHE 51 1HB PHE 51 0.192 1.503 6.345 345 HB3 PHE 51 2HB PHE 51 -0.906 2.224 7.519 346 HD1 PHE 51 2HD PHE 51 2.435 0.649 7.982 347 HD2 PHE 51 1HD PHE 51 0.083 4.189 8.216 348 HE1 PHE 51 2HE PHE 51 4.326 1.834 9.017 349 HE2 PHE 51 1HE PHE 51 1.971 5.380 9.250 350 HZ PHE 51 HZ PHE 51 4.096 4.202 9.653 351 H ASN 52 H ASN 52 -1.446 1.880 9.537 352 HA ASN 52 HA ASN 52 -0.280 0.714 11.980 353 HB2 ASN 52 1HB ASN 52 -0.802 3.138 12.872 354 HB3 ASN 52 2HB ASN 52 0.674 2.818 11.966 355 HD21 ASN 52 1HD2 ASN 52 0.715 5.057 11.458 356 HD22 ASN 52 2HD2 ASN 52 -0.281 5.689 10.196 357 H GLY 53 H GLY 53 -1.992 -0.677 12.407 358 HA2 GLY 53 1HA GLY 53 -4.126 -1.316 13.019 359 HA3 GLY 53 2HA GLY 53 -3.998 0.088 14.068 360 H ARG 54 H ARG 54 -3.973 0.434 10.605 361 HA ARG 54 HA ARG 54 -6.793 1.231 10.612 362 HB2 ARG 54 1HB ARG 54 -4.463 2.943 9.760 363 HB3 ARG 54 2HB ARG 54 -6.103 3.242 9.201 364 HG2 ARG 54 1HG ARG 54 -6.726 3.297 11.691 365 HG3 ARG 54 2HG ARG 54 -4.992 3.473 11.969 366 HD2 ARG 54 1HD ARG 54 -5.659 5.673 11.861 367 HD3 ARG 54 2HD ARG 54 -5.188 5.370 10.190 368 HE ARG 54 HE ARG 54 -7.806 4.792 10.146 369 HH11 ARG 54 2HH1 ARG 54 -6.044 7.513 11.415 370 HH12 ARG 54 1HH1 ARG 54 -7.333 8.639 11.149 371 HH21 ARG 54 2HH2 ARG 54 -9.511 6.264 9.791 372 HH22 ARG 54 1HH2 ARG 54 -9.306 7.927 10.227 373 H ILE 55 H ILE 55 -7.708 1.428 8.445 374 HA ILE 55 HA ILE 55 -6.188 -0.001 6.375 375 HB ILE 55 HB ILE 55 -9.052 -0.584 7.139 376 HG12 ILE 55 1HG1 ILE 55 -6.743 -2.517 7.130 377 HG13 ILE 55 2HG1 ILE 55 -7.107 -1.533 8.543 378 HG21 ILE 55 1HG2 ILE 55 -9.355 -1.658 5.197 379 HG22 ILE 55 2HG2 ILE 55 -8.000 -0.686 4.625 380 HG23 ILE 55 3HG2 ILE 55 -7.724 -2.329 5.203 381 HD11 ILE 55 1HD1 ILE 55 -8.401 -3.243 9.144 382 HD12 ILE 55 2HD1 ILE 55 -9.542 -2.606 7.960 383 HD13 ILE 55 3HD1 ILE 55 -8.442 -3.910 7.512 384 H GLY 56 H GLY 56 -5.969 1.430 4.780 385 HA2 GLY 56 1HA GLY 56 -8.383 2.876 3.895 386 HA3 GLY 56 2HA GLY 56 -6.850 3.717 4.072 387 H VAL 57 H VAL 57 -7.446 4.194 1.749 388 HA VAL 57 HA VAL 57 -6.379 2.064 0.012 389 HB VAL 57 HB VAL 57 -7.706 3.143 -1.836 390 HG11 VAL 57 1HG1 VAL 57 -8.828 1.265 -1.361 391 HG12 VAL 57 2HG1 VAL 57 -8.700 1.519 0.381 392 HG13 VAL 57 3HG1 VAL 57 -9.972 2.326 -0.539 393 HG21 VAL 57 1HG2 VAL 57 -9.359 4.720 -1.417 394 HG22 VAL 57 2HG2 VAL 57 -9.379 4.386 0.314 395 HG23 VAL 57 3HG2 VAL 57 -8.027 5.267 -0.398 396 H PHE 58 H PHE 58 -5.038 2.698 -1.718 397 HA PHE 58 HA PHE 58 -4.143 5.481 -1.765 398 HB2 PHE 58 1HB PHE 58 -1.734 4.453 -1.938 399 HB3 PHE 58 2HB PHE 58 -2.465 4.727 -0.360 400 HD1 PHE 58 2HD PHE 58 -3.882 2.674 0.539 401 HD2 PHE 58 1HD PHE 58 -0.752 2.422 -2.335 402 HE1 PHE 58 2HE PHE 58 -3.564 0.299 1.098 403 HE2 PHE 58 1HE PHE 58 -0.430 0.046 -1.780 404 HZ PHE 58 HZ PHE 58 -1.836 -1.018 -0.061 405 HA PRO 59 HA PRO 59 -3.934 4.954 -6.115 406 HB2 PRO 59 1HB PRO 59 -1.825 6.532 -6.775 407 HB3 PRO 59 2HB PRO 59 -3.384 7.181 -6.254 408 HG2 PRO 59 1HG PRO 59 -0.870 6.793 -4.675 409 HG3 PRO 59 2HG PRO 59 -1.986 8.172 -4.681 410 HD2 PRO 59 1HD PRO 59 -2.017 6.281 -2.744 411 HD3 PRO 59 2HD PRO 59 -3.484 7.126 -3.277 412 H SER 60 H SER 60 -1.586 3.704 -4.101 413 HA SER 60 HA SER 60 0.159 2.256 -4.348 414 HB2 SER 60 1HB SER 60 -1.113 1.340 -6.915 415 HB3 SER 60 2HB SER 60 -0.293 0.382 -5.682 416 HG SER 60 HG SER 60 -2.116 0.183 -4.663 417 H VAL 61 H VAL 61 0.351 4.900 -5.680 418 HA VAL 61 HA VAL 61 2.306 4.214 -7.778 419 HB VAL 61 HB VAL 61 1.929 6.362 -8.788 420 HG11 VAL 61 1HG1 VAL 61 -0.891 5.655 -8.331 421 HG12 VAL 61 2HG1 VAL 61 0.020 5.781 -9.837 422 HG13 VAL 61 3HG1 VAL 61 0.151 4.328 -8.845 423 HG21 VAL 61 1HG2 VAL 61 1.596 7.798 -6.943 424 HG22 VAL 61 2HG2 VAL 61 0.091 7.842 -7.862 425 HG23 VAL 61 3HG2 VAL 61 0.196 6.883 -6.385 426 H LEU 62 H LEU 62 1.750 5.870 -4.787 427 HA LEU 62 HA LEU 62 4.299 7.261 -4.871 428 HB2 LEU 62 1HB LEU 62 2.269 7.061 -2.651 429 HB3 LEU 62 2HB LEU 62 3.662 8.140 -2.691 430 HG LEU 62 HG LEU 62 1.326 8.266 -4.597 431 HD11 LEU 62 1HD1 LEU 62 0.286 9.720 -3.239 432 HD12 LEU 62 2HD1 LEU 62 1.795 10.448 -2.688 433 HD13 LEU 62 3HD1 LEU 62 1.234 8.936 -1.975 434 HD21 LEU 62 1HD2 LEU 62 3.937 9.333 -4.748 435 HD22 LEU 62 2HD2 LEU 62 2.846 10.670 -4.382 436 HD23 LEU 62 3HD2 LEU 62 2.560 9.660 -5.801 437 H VAL 63 H VAL 63 3.444 4.169 -4.339 438 HA VAL 63 HA VAL 63 5.530 3.760 -2.295 439 HB VAL 63 HB VAL 63 4.435 1.719 -1.628 440 HG11 VAL 63 1HG1 VAL 63 2.084 2.755 -1.070 441 HG12 VAL 63 2HG1 VAL 63 3.555 3.394 -0.333 442 HG13 VAL 63 3HG1 VAL 63 2.824 4.223 -1.708 443 HG21 VAL 63 1HG2 VAL 63 3.230 0.587 -3.113 444 HG22 VAL 63 2HG2 VAL 63 1.939 1.769 -2.893 445 HG23 VAL 63 3HG2 VAL 63 3.128 1.991 -4.176 446 H GLU 64 H GLU 64 6.659 1.630 -2.478 447 HA GLU 64 HA GLU 64 6.958 0.799 -5.287 448 HB2 GLU 64 1HB GLU 64 9.324 0.746 -5.101 449 HB3 GLU 64 2HB GLU 64 8.816 2.305 -4.466 450 HG2 GLU 64 1HG GLU 64 9.144 0.057 -2.556 451 HG3 GLU 64 2HG GLU 64 10.592 0.805 -3.227 452 H GLU 65 H GLU 65 7.534 -1.368 -5.643 453 HA GLU 65 HA GLU 65 6.592 -3.174 -3.610 454 HB2 GLU 65 1HB GLU 65 7.491 -3.461 -6.453 455 HB3 GLU 65 2HB GLU 65 7.344 -4.889 -5.438 456 HG2 GLU 65 1HG GLU 65 5.270 -4.871 -6.348 457 HG3 GLU 65 2HG GLU 65 4.968 -3.856 -4.939 458 H LEU 66 H LEU 66 7.762 -4.377 -2.247 459 HA LEU 66 HA LEU 66 10.641 -4.012 -2.211 460 HB2 LEU 66 1HB LEU 66 8.900 -5.564 -0.303 461 HB3 LEU 66 2HB LEU 66 10.571 -5.066 -0.043 462 HG LEU 66 HG LEU 66 8.350 -3.072 -0.406 463 HD11 LEU 66 1HD1 LEU 66 9.259 -3.482 2.324 464 HD12 LEU 66 2HD1 LEU 66 8.429 -4.889 1.662 465 HD13 LEU 66 3HD1 LEU 66 7.623 -3.321 1.685 466 HD21 LEU 66 1HD2 LEU 66 10.727 -2.569 1.270 467 HD22 LEU 66 2HD2 LEU 66 9.874 -1.502 0.154 468 HD23 LEU 66 3HD2 LEU 66 11.009 -2.702 -0.467 469 H SER 67 H SER 67 11.727 -5.272 -3.596 470 HA SER 67 HA SER 67 10.881 -8.020 -4.058 471 HB2 SER 67 1HB SER 67 12.896 -6.199 -5.352 472 HB3 SER 67 2HB SER 67 12.917 -7.934 -5.664 473 HG SER 67 HG SER 67 10.739 -6.165 -6.101 474 H SER 68 H SER 68 12.187 -9.828 -3.686 475 HA SER 68 HA SER 68 13.874 -9.607 -1.363 476 HB2 SER 68 1HB SER 68 12.240 -11.507 -1.841 477 HB3 SER 68 2HB SER 68 13.418 -12.093 -3.015 478 HG SER 68 HG SER 68 14.947 -12.128 -1.256 479 H GLY 69 H GLY 69 14.338 -10.788 -4.697 480 HA2 GLY 69 1HA GLY 69 17.048 -11.353 -4.566 481 HA3 GLY 69 2HA GLY 69 16.210 -10.843 -6.025 482 HA PRO 70 HA PRO 70 19.118 -7.502 -4.116 483 HB2 PRO 70 1HB PRO 70 21.506 -8.158 -5.228 484 HB3 PRO 70 2HB PRO 70 20.996 -8.736 -3.637 485 HG2 PRO 70 1HG PRO 70 20.907 -10.140 -6.280 486 HG3 PRO 70 2HG PRO 70 21.399 -10.767 -4.695 487 HD2 PRO 70 1HD PRO 70 18.957 -11.253 -5.761 488 HD3 PRO 70 2HD PRO 70 19.223 -11.100 -4.012 489 H SER 71 H SER 71 18.491 -8.943 -7.171 490 HA SER 71 HA SER 71 19.330 -6.501 -8.580 491 HB2 SER 71 1HB SER 71 19.111 -7.897 -10.649 492 HB3 SER 71 2HB SER 71 20.328 -8.491 -9.519 493 HG SER 71 HG SER 71 18.298 -9.821 -10.512 494 H SER 72 H SER 72 17.737 -5.074 -8.762 495 HA SER 72 HA SER 72 14.968 -5.958 -8.900 496 HB2 SER 72 1HB SER 72 15.219 -4.127 -7.444 497 HB3 SER 72 2HB SER 72 16.299 -3.279 -8.551 498 HG SER 72 HG SER 72 13.896 -2.689 -8.341 499 H GLY 73 H GLY 73 13.886 -6.194 -10.739 500 HA2 GLY 73 1HA GLY 73 14.519 -4.515 -13.037 501 HA3 GLY 73 2HA GLY 73 14.758 -6.243 -13.249 Start of MODEL 9 1 H1 GLY 1 H GLY 1 0.898 -31.983 3.368 2 HA2 GLY 1 1HA GLY 1 0.626 -32.272 0.464 3 HA3 GLY 1 2HA GLY 1 -0.831 -32.390 1.441 4 H SER 2 H SER 2 -0.653 -30.478 -0.502 5 HA SER 2 HA SER 2 0.093 -27.979 0.810 6 HB2 SER 2 1HB SER 2 -0.816 -28.598 -2.007 7 HB3 SER 2 2HB SER 2 -0.493 -26.967 -1.421 8 HG SER 2 HG SER 2 1.298 -29.101 -1.821 9 H SER 3 H SER 3 -1.327 -26.509 1.562 10 HA SER 3 HA SER 3 -4.109 -27.308 1.746 11 HB2 SER 3 1HB SER 3 -2.936 -26.453 3.743 12 HB3 SER 3 2HB SER 3 -2.689 -24.909 2.929 13 HG SER 3 HG SER 3 -5.296 -25.874 3.063 14 H GLY 4 H GLY 4 -2.221 -24.603 0.444 15 HA2 GLY 4 1HA GLY 4 -4.059 -24.166 -1.679 16 HA3 GLY 4 2HA GLY 4 -4.286 -22.965 -0.416 17 H SER 5 H SER 5 -3.045 -21.202 -0.455 18 HA SER 5 HA SER 5 -0.357 -21.189 -1.401 19 HB2 SER 5 1HB SER 5 -0.651 -19.788 -3.373 20 HB3 SER 5 2HB SER 5 -1.561 -21.285 -3.571 21 HG SER 5 HG SER 5 -2.788 -18.979 -2.514 22 H SER 6 H SER 6 0.731 -19.393 -0.727 23 HA SER 6 HA SER 6 -0.699 -17.628 1.066 24 HB2 SER 6 1HB SER 6 1.438 -18.498 1.810 25 HB3 SER 6 2HB SER 6 2.241 -17.852 0.379 26 HG SER 6 HG SER 6 1.428 -16.571 2.691 27 H GLY 7 H GLY 7 -1.025 -15.458 0.819 28 HA2 GLY 7 1HA GLY 7 -0.017 -14.190 -1.637 29 HA3 GLY 7 2HA GLY 7 -1.743 -14.166 -1.304 30 H VAL 8 H VAL 8 1.405 -13.050 -0.204 31 HA VAL 8 HA VAL 8 0.085 -10.737 1.016 32 HB VAL 8 HB VAL 8 1.673 -10.826 2.936 33 HG11 VAL 8 1HG1 VAL 8 -0.750 -11.953 2.702 34 HG12 VAL 8 2HG1 VAL 8 0.199 -13.378 3.130 35 HG13 VAL 8 3HG1 VAL 8 0.186 -11.973 4.196 36 HG21 VAL 8 1HG2 VAL 8 3.420 -12.200 2.111 37 HG22 VAL 8 2HG2 VAL 8 2.660 -13.097 3.426 38 HG23 VAL 8 3HG2 VAL 8 2.306 -13.520 1.751 39 H CYS 9 H CYS 9 1.051 -8.859 0.539 40 HA CYS 9 HA CYS 9 3.867 -8.836 -0.240 41 HB2 CYS 9 1HB CYS 9 1.561 -8.024 -1.985 42 HB3 CYS 9 2HB CYS 9 3.132 -7.252 -2.170 43 HG CYS 9 HG CYS 9 4.211 -10.085 -2.317 44 H PHE 10 H PHE 10 4.926 -6.938 0.202 45 HA PHE 10 HA PHE 10 3.322 -4.841 1.513 46 HB2 PHE 10 1HB PHE 10 6.135 -5.739 2.174 47 HB3 PHE 10 2HB PHE 10 5.295 -4.394 2.938 48 HD1 PHE 10 2HD PHE 10 5.068 -8.056 2.369 49 HD2 PHE 10 1HD PHE 10 3.974 -4.747 4.813 50 HE1 PHE 10 2HE PHE 10 4.114 -9.601 4.029 51 HE2 PHE 10 1HE PHE 10 3.018 -6.287 6.476 52 HZ PHE 10 HZ PHE 10 3.086 -8.718 6.085 53 H VAL 11 H VAL 11 4.178 -2.664 1.383 54 HA VAL 11 HA VAL 11 6.129 -2.171 -0.734 55 HB VAL 11 HB VAL 11 4.694 -0.530 -1.852 56 HG11 VAL 11 1HG1 VAL 11 3.211 -2.091 -2.985 57 HG12 VAL 11 2HG1 VAL 11 4.781 -2.837 -2.684 58 HG13 VAL 11 3HG1 VAL 11 3.399 -3.249 -1.668 59 HG21 VAL 11 1HG2 VAL 11 2.702 0.153 -1.087 60 HG22 VAL 11 2HG2 VAL 11 2.191 -1.485 -0.679 61 HG23 VAL 11 3HG2 VAL 11 3.203 -0.573 0.441 62 H LYS 12 H LYS 12 7.168 -0.182 -0.594 63 HA LYS 12 HA LYS 12 6.768 1.218 1.957 64 HB2 LYS 12 1HB LYS 12 9.011 0.204 1.440 65 HB3 LYS 12 2HB LYS 12 9.163 1.356 0.120 66 HG2 LYS 12 1HG LYS 12 9.242 3.192 1.600 67 HG3 LYS 12 2HG LYS 12 8.715 2.206 2.966 68 HD2 LYS 12 1HD LYS 12 11.025 2.474 3.278 69 HD3 LYS 12 2HD LYS 12 10.851 0.857 2.593 70 HE2 LYS 12 1HE LYS 12 11.374 1.773 0.367 71 HE3 LYS 12 2HE LYS 12 11.602 3.364 1.091 72 HZ1 LYS 12 1HZ LYS 12 13.506 1.408 0.778 73 HZ2 LYS 12 2HZ LYS 12 13.150 1.392 2.432 74 HZ3 LYS 12 3HZ LYS 12 13.655 2.826 1.689 75 H ALA 13 H ALA 13 5.941 3.199 1.972 76 HA ALA 13 HA ALA 13 5.097 4.502 -0.389 77 HB1 ALA 13 1HB ALA 13 3.882 5.742 1.010 78 HB2 ALA 13 2HB ALA 13 4.517 4.717 2.298 79 HB3 ALA 13 3HB ALA 13 5.303 6.251 1.923 80 H LEU 14 H LEU 14 6.680 5.085 -1.793 81 HA LEU 14 HA LEU 14 9.217 6.026 -1.212 82 HB2 LEU 14 1HB LEU 14 7.437 6.648 -3.560 83 HB3 LEU 14 2HB LEU 14 9.150 7.056 -3.483 84 HG LEU 14 HG LEU 14 8.066 4.244 -3.347 85 HD11 LEU 14 1HD1 LEU 14 7.537 4.961 -5.512 86 HD12 LEU 14 2HD1 LEU 14 9.087 4.138 -5.681 87 HD13 LEU 14 3HD1 LEU 14 9.023 5.900 -5.661 88 HD21 LEU 14 1HD2 LEU 14 10.599 3.999 -4.156 89 HD22 LEU 14 2HD2 LEU 14 10.135 4.000 -2.454 90 HD23 LEU 14 3HD2 LEU 14 10.754 5.474 -3.201 91 H TYR 15 H TYR 15 6.182 7.793 -1.479 92 HA TYR 15 HA TYR 15 7.546 10.150 -0.361 93 HB2 TYR 15 1HB TYR 15 5.280 10.282 -2.355 94 HB3 TYR 15 2HB TYR 15 6.232 11.625 -1.731 95 HD1 TYR 15 1HD TYR 15 6.251 8.722 -3.991 96 HD2 TYR 15 2HD TYR 15 8.404 12.129 -2.627 97 HE1 TYR 15 1HE TYR 15 7.806 8.488 -5.882 98 HE2 TYR 15 2HE TYR 15 9.965 11.905 -4.515 99 HH TYR 15 HH TYR 15 9.419 10.337 -7.177 100 H ASP 16 H ASP 16 6.163 11.577 0.879 101 HA ASP 16 HA ASP 16 4.460 10.152 2.645 102 HB2 ASP 16 1HB ASP 16 3.919 12.594 3.414 103 HB3 ASP 16 2HB ASP 16 5.526 11.928 3.686 104 H TYR 17 H TYR 17 2.376 9.690 2.452 105 HA TYR 17 HA TYR 17 0.803 11.134 0.431 106 HB2 TYR 17 1HB TYR 17 0.942 8.759 -0.006 107 HB3 TYR 17 2HB TYR 17 0.426 8.385 1.635 108 HD1 TYR 17 1HD TYR 17 -1.926 9.354 2.309 109 HD2 TYR 17 2HD TYR 17 -0.634 8.751 -1.700 110 HE1 TYR 17 1HE TYR 17 -4.271 9.310 1.566 111 HE2 TYR 17 2HE TYR 17 -2.974 8.706 -2.454 112 HH TYR 17 HH TYR 17 -5.605 9.535 -0.333 113 H GLU 18 H GLU 18 -0.870 12.356 1.025 114 HA GLU 18 HA GLU 18 -1.769 12.191 3.826 115 HB2 GLU 18 1HB GLU 18 -1.640 14.561 1.958 116 HB3 GLU 18 2HB GLU 18 -2.455 14.592 3.515 117 HG2 GLU 18 1HG GLU 18 0.401 13.753 3.367 118 HG3 GLU 18 2HG GLU 18 -0.016 15.464 3.286 119 H GLY 19 H GLY 19 -3.573 10.975 3.794 120 HA2 GLY 19 1HA GLY 19 -5.427 10.953 1.629 121 HA3 GLY 19 2HA GLY 19 -5.666 10.217 3.207 122 H GLN 20 H GLN 20 -7.194 12.134 1.253 123 HA GLN 20 HA GLN 20 -7.688 14.483 2.779 124 HB2 GLN 20 1HB GLN 20 -9.303 13.190 0.576 125 HB3 GLN 20 2HB GLN 20 -9.616 14.788 1.240 126 HG2 GLN 20 1HG GLN 20 -8.423 15.065 -0.793 127 HG3 GLN 20 2HG GLN 20 -7.327 15.458 0.531 128 HE21 GLN 20 1HE2 GLN 20 -8.352 12.442 -1.037 129 HE22 GLN 20 2HE2 GLN 20 -6.755 11.870 -1.364 130 H THR 21 H THR 21 -9.190 11.315 2.589 131 HA THR 21 HA THR 21 -10.895 12.062 4.873 132 HB THR 21 HB THR 21 -12.648 10.570 4.050 133 HG1 THR 21 1HG THR 21 -11.061 10.309 1.695 134 HG21 THR 21 1HG2 THR 21 -12.066 12.267 1.673 135 HG22 THR 21 2HG2 THR 21 -12.266 13.058 3.236 136 HG23 THR 21 3HG2 THR 21 -13.567 12.067 2.577 137 H ASP 22 H ASP 22 -11.654 10.117 6.117 138 HA ASP 22 HA ASP 22 -9.496 8.661 7.095 139 HB2 ASP 22 1HB ASP 22 -11.420 7.112 7.984 140 HB3 ASP 22 2HB ASP 22 -11.265 8.762 8.583 141 H ASP 23 H ASP 23 -12.023 7.669 4.808 142 HA ASP 23 HA ASP 23 -11.523 5.037 4.439 143 HB2 ASP 23 1HB ASP 23 -11.943 7.040 2.210 144 HB3 ASP 23 2HB ASP 23 -12.217 5.303 2.098 145 H GLU 24 H GLU 24 -9.622 7.700 3.081 146 HA GLU 24 HA GLU 24 -7.827 6.008 1.653 147 HB2 GLU 24 1HB GLU 24 -7.643 8.902 2.492 148 HB3 GLU 24 2HB GLU 24 -6.427 8.100 1.508 149 HG2 GLU 24 1HG GLU 24 -9.327 8.322 0.746 150 HG3 GLU 24 2HG GLU 24 -8.076 9.452 0.229 151 H LEU 25 H LEU 25 -5.341 6.462 2.144 152 HA LEU 25 HA LEU 25 -4.913 5.901 5.005 153 HB2 LEU 25 1HB LEU 25 -4.626 4.032 3.164 154 HB3 LEU 25 2HB LEU 25 -3.064 4.816 2.940 155 HG LEU 25 HG LEU 25 -2.659 4.445 5.404 156 HD11 LEU 25 1HD1 LEU 25 -5.264 3.926 5.609 157 HD12 LEU 25 2HD1 LEU 25 -4.067 3.241 6.708 158 HD13 LEU 25 3HD1 LEU 25 -4.677 2.281 5.360 159 HD21 LEU 25 1HD2 LEU 25 -3.018 2.065 3.588 160 HD22 LEU 25 2HD2 LEU 25 -2.102 2.052 5.096 161 HD23 LEU 25 3HD2 LEU 25 -1.576 3.067 3.752 162 H SER 26 H SER 26 -3.435 7.107 6.023 163 HA SER 26 HA SER 26 -1.751 8.880 4.378 164 HB2 SER 26 1HB SER 26 -1.799 10.466 6.253 165 HB3 SER 26 2HB SER 26 -3.434 10.087 5.712 166 HG SER 26 HG SER 26 -3.083 8.336 7.500 167 H PHE 27 H PHE 27 0.310 8.308 4.365 168 HA PHE 27 HA PHE 27 1.529 7.358 6.862 169 HB2 PHE 27 1HB PHE 27 2.980 5.933 5.133 170 HB3 PHE 27 2HB PHE 27 1.494 5.311 5.842 171 HD1 PHE 27 2HD PHE 27 2.850 7.024 2.848 172 HD2 PHE 27 1HD PHE 27 -0.299 4.680 4.493 173 HE1 PHE 27 2HE PHE 27 1.915 6.706 0.595 174 HE2 PHE 27 1HE PHE 27 -1.239 4.357 2.242 175 HZ PHE 27 HZ PHE 27 -0.133 5.372 0.289 176 HA PRO 28 HA PRO 28 4.642 10.347 6.035 177 HB2 PRO 28 1HB PRO 28 6.731 9.235 7.366 178 HB3 PRO 28 2HB PRO 28 5.360 9.991 8.188 179 HG2 PRO 28 1HG PRO 28 5.894 7.091 7.670 180 HG3 PRO 28 2HG PRO 28 5.287 7.871 9.142 181 HD2 PRO 28 1HD PRO 28 3.660 6.605 7.387 182 HD3 PRO 28 2HD PRO 28 3.135 8.015 8.329 183 H GLU 29 H GLU 29 6.877 10.569 5.155 184 HA GLU 29 HA GLU 29 7.137 9.141 2.732 185 HB2 GLU 29 1HB GLU 29 7.947 11.470 3.123 186 HB3 GLU 29 2HB GLU 29 9.239 10.812 4.118 187 HG2 GLU 29 1HG GLU 29 9.993 9.505 2.128 188 HG3 GLU 29 2HG GLU 29 8.808 10.392 1.173 189 H GLY 30 H GLY 30 7.442 6.975 2.911 190 HA2 GLY 30 1HA GLY 30 9.140 5.276 2.853 191 HA3 GLY 30 2HA GLY 30 9.981 6.129 4.140 192 H ALA 31 H ALA 31 6.595 5.083 3.827 193 HA ALA 31 HA ALA 31 6.913 3.654 6.383 194 HB1 ALA 31 1HB ALA 31 5.116 4.753 7.073 195 HB2 ALA 31 2HB ALA 31 4.973 5.544 5.503 196 HB3 ALA 31 3HB ALA 31 4.171 3.999 5.788 197 H ILE 32 H ILE 32 6.261 1.552 6.573 198 HA ILE 32 HA ILE 32 5.926 0.087 4.096 199 HB ILE 32 HB ILE 32 6.072 -0.938 6.934 200 HG12 ILE 32 1HG1 ILE 32 8.122 0.235 6.205 201 HG13 ILE 32 2HG1 ILE 32 8.392 -1.491 6.422 202 HG21 ILE 32 1HG2 ILE 32 6.449 -2.460 4.363 203 HG22 ILE 32 2HG2 ILE 32 6.398 -3.110 6.001 204 HG23 ILE 32 3HG2 ILE 32 4.942 -2.429 5.277 205 HD11 ILE 32 1HD1 ILE 32 7.629 -0.970 3.717 206 HD12 ILE 32 2HD1 ILE 32 8.975 0.073 4.178 207 HD13 ILE 32 3HD1 ILE 32 9.117 -1.677 4.346 208 H ILE 33 H ILE 33 4.167 -1.167 3.530 209 HA ILE 33 HA ILE 33 1.771 -0.965 5.218 210 HB ILE 33 HB ILE 33 1.821 -0.466 2.239 211 HG12 ILE 33 1HG1 ILE 33 0.825 1.500 4.259 212 HG13 ILE 33 2HG1 ILE 33 2.562 1.342 4.020 213 HG21 ILE 33 1HG2 ILE 33 -0.658 0.253 3.170 214 HG22 ILE 33 2HG2 ILE 33 -0.272 -1.244 2.323 215 HG23 ILE 33 3HG2 ILE 33 -0.306 -1.212 4.086 216 HD11 ILE 33 1HD1 ILE 33 2.124 1.719 1.564 217 HD12 ILE 33 2HD1 ILE 33 0.485 2.180 2.027 218 HD13 ILE 33 3HD1 ILE 33 1.864 3.099 2.630 219 H ARG 34 H ARG 34 0.363 -2.697 5.114 220 HA ARG 34 HA ARG 34 1.456 -5.092 3.824 221 HB2 ARG 34 1HB ARG 34 1.084 -5.311 6.204 222 HB3 ARG 34 2HB ARG 34 -0.577 -4.761 6.034 223 HG2 ARG 34 1HG ARG 34 -1.008 -6.781 4.620 224 HG3 ARG 34 2HG ARG 34 0.605 -7.348 5.060 225 HD2 ARG 34 1HD ARG 34 -1.128 -8.335 6.485 226 HD3 ARG 34 2HD ARG 34 -0.009 -7.335 7.410 227 HE ARG 34 HE ARG 34 -2.352 -5.918 6.560 228 HH11 ARG 34 2HH1 ARG 34 -1.025 -8.024 8.994 229 HH12 ARG 34 1HH1 ARG 34 -2.141 -7.525 10.221 230 HH21 ARG 34 2HH2 ARG 34 -3.828 -5.252 8.167 231 HH22 ARG 34 1HH2 ARG 34 -3.736 -5.948 9.749 232 H ILE 35 H ILE 35 0.661 -5.477 1.865 233 HA ILE 35 HA ILE 35 -1.782 -4.445 0.892 234 HB ILE 35 HB ILE 35 -0.085 -6.701 -0.180 235 HG12 ILE 35 1HG1 ILE 35 1.074 -4.536 -0.071 236 HG13 ILE 35 2HG1 ILE 35 0.763 -5.008 -1.738 237 HG21 ILE 35 1HG2 ILE 35 -1.343 -5.841 -2.347 238 HG22 ILE 35 2HG2 ILE 35 -2.022 -7.095 -1.312 239 HG23 ILE 35 3HG2 ILE 35 -2.581 -5.429 -1.161 240 HD11 ILE 35 1HD1 ILE 35 -0.444 -2.816 -0.131 241 HD12 ILE 35 2HD1 ILE 35 0.189 -2.795 -1.777 242 HD13 ILE 35 3HD1 ILE 35 -1.374 -3.541 -1.442 243 H LEU 36 H LEU 36 -3.514 -5.037 2.153 244 HA LEU 36 HA LEU 36 -4.005 -7.750 2.920 245 HB2 LEU 36 1HB LEU 36 -5.667 -5.247 3.007 246 HB3 LEU 36 2HB LEU 36 -6.282 -6.811 3.536 247 HG LEU 36 HG LEU 36 -3.845 -5.498 4.726 248 HD11 LEU 36 1HD1 LEU 36 -5.942 -4.144 4.995 249 HD12 LEU 36 2HD1 LEU 36 -5.196 -4.683 6.499 250 HD13 LEU 36 3HD1 LEU 36 -6.626 -5.509 5.878 251 HD21 LEU 36 1HD2 LEU 36 -4.006 -7.120 6.421 252 HD22 LEU 36 2HD2 LEU 36 -4.217 -8.007 4.911 253 HD23 LEU 36 3HD2 LEU 36 -5.619 -7.617 5.909 254 H ASN 37 H ASN 37 -5.535 -5.533 0.590 255 HA ASN 37 HA ASN 37 -6.277 -7.846 -1.037 256 HB2 ASN 37 1HB ASN 37 -8.171 -6.922 0.569 257 HB3 ASN 37 2HB ASN 37 -8.335 -5.709 -0.698 258 HD21 ASN 37 1HD2 ASN 37 -10.157 -7.837 0.177 259 HD22 ASN 37 2HD2 ASN 37 -10.493 -8.774 -1.235 260 H LYS 38 H LYS 38 -5.416 -7.487 -2.964 261 HA LYS 38 HA LYS 38 -5.388 -4.729 -4.004 262 HB2 LYS 38 1HB LYS 38 -3.396 -5.298 -5.263 263 HB3 LYS 38 2HB LYS 38 -3.139 -5.656 -3.560 264 HG2 LYS 38 1HG LYS 38 -3.476 -8.008 -3.956 265 HG3 LYS 38 2HG LYS 38 -3.885 -7.697 -5.645 266 HD2 LYS 38 1HD LYS 38 -1.237 -6.906 -4.456 267 HD3 LYS 38 2HD LYS 38 -1.518 -8.500 -5.160 268 HE2 LYS 38 1HE LYS 38 -2.161 -6.009 -6.695 269 HE3 LYS 38 2HE LYS 38 -0.512 -6.630 -6.637 270 HZ1 LYS 38 1HZ LYS 38 -1.504 -7.547 -8.546 271 HZ2 LYS 38 2HZ LYS 38 -2.919 -7.971 -7.722 272 HZ3 LYS 38 3HZ LYS 38 -1.478 -8.801 -7.411 273 H GLU 39 H GLU 39 -7.578 -6.592 -4.259 274 HA GLU 39 HA GLU 39 -7.467 -7.466 -7.039 275 HB2 GLU 39 1HB GLU 39 -9.611 -7.804 -4.935 276 HB3 GLU 39 2HB GLU 39 -9.687 -8.467 -6.561 277 HG2 GLU 39 1HG GLU 39 -7.781 -9.871 -6.131 278 HG3 GLU 39 2HG GLU 39 -7.560 -9.139 -4.543 279 H ASN 40 H ASN 40 -7.545 -5.584 -8.228 280 HA ASN 40 HA ASN 40 -10.120 -4.177 -8.160 281 HB2 ASN 40 1HB ASN 40 -8.236 -2.871 -7.026 282 HB3 ASN 40 2HB ASN 40 -7.521 -2.721 -8.629 283 HD21 ASN 40 1HD2 ASN 40 -9.944 -1.624 -6.477 284 HD22 ASN 40 2HD2 ASN 40 -10.621 -0.409 -7.501 285 H GLN 41 H GLN 41 -10.869 -3.429 -10.148 286 HA GLN 41 HA GLN 41 -9.315 -4.296 -12.496 287 HB2 GLN 41 1HB GLN 41 -11.441 -4.871 -13.598 288 HB3 GLN 41 2HB GLN 41 -11.170 -5.829 -12.149 289 HG2 GLN 41 1HG GLN 41 -12.799 -3.334 -12.001 290 HG3 GLN 41 2HG GLN 41 -13.511 -4.823 -12.621 291 HE21 GLN 41 1HE2 GLN 41 -13.658 -6.632 -11.236 292 HE22 GLN 41 2HE2 GLN 41 -13.644 -6.442 -9.519 293 H ASP 42 H ASP 42 -11.364 -1.907 -11.029 294 HA ASP 42 HA ASP 42 -11.975 -0.340 -13.269 295 HB2 ASP 42 1HB ASP 42 -11.611 0.403 -10.364 296 HB3 ASP 42 2HB ASP 42 -12.186 1.534 -11.585 297 H ASP 43 H ASP 43 -11.107 1.958 -13.542 298 HA ASP 43 HA ASP 43 -8.348 1.776 -14.222 299 HB2 ASP 43 1HB ASP 43 -10.227 4.147 -14.211 300 HB3 ASP 43 2HB ASP 43 -8.609 4.154 -14.906 301 H ASP 44 H ASP 44 -10.042 2.779 -11.419 302 HA ASP 44 HA ASP 44 -8.516 4.725 -10.269 303 HB2 ASP 44 1HB ASP 44 -9.937 2.350 -9.116 304 HB3 ASP 44 2HB ASP 44 -8.982 3.390 -8.062 305 H GLY 45 H GLY 45 -7.936 1.239 -9.729 306 HA2 GLY 45 1HA GLY 45 -5.937 0.088 -9.566 307 HA3 GLY 45 2HA GLY 45 -5.099 1.558 -10.041 308 H PHE 46 H PHE 46 -7.291 1.177 -7.302 309 HA PHE 46 HA PHE 46 -5.074 1.944 -5.534 310 HB2 PHE 46 1HB PHE 46 -8.068 2.198 -5.246 311 HB3 PHE 46 2HB PHE 46 -6.955 2.486 -3.913 312 HD1 PHE 46 2HD PHE 46 -6.995 3.438 -7.524 313 HD2 PHE 46 1HD PHE 46 -6.734 4.720 -3.474 314 HE1 PHE 46 2HE PHE 46 -6.698 5.760 -8.282 315 HE2 PHE 46 1HE PHE 46 -6.438 7.044 -4.225 316 HZ PHE 46 HZ PHE 46 -6.418 7.566 -6.632 317 H TRP 47 H TRP 47 -4.582 0.783 -3.698 318 HA TRP 47 HA TRP 47 -5.822 -1.883 -3.524 319 HB2 TRP 47 1HB TRP 47 -3.011 -0.966 -2.922 320 HB3 TRP 47 2HB TRP 47 -3.634 -2.527 -2.396 321 HD1 TRP 47 HD TRP 47 -5.298 -2.895 -5.274 322 HE1 TRP 47 1HE TRP 47 -3.924 -3.712 -7.290 323 HE3 TRP 47 3HE TRP 47 -0.618 -1.682 -3.611 324 HZ2 TRP 47 2HZ TRP 47 -1.214 -3.828 -8.072 325 HZ3 TRP 47 3HZ TRP 47 1.311 -2.180 -5.054 326 HH2 TRP 47 HH TRP 47 1.018 -3.232 -7.238 327 H GLU 48 H GLU 48 -5.713 -2.867 -1.304 328 HA GLU 48 HA GLU 48 -6.262 -0.807 0.731 329 HB2 GLU 48 1HB GLU 48 -8.229 -2.189 -0.075 330 HB3 GLU 48 2HB GLU 48 -7.450 -3.579 0.667 331 HG2 GLU 48 1HG GLU 48 -7.617 -2.600 2.839 332 HG3 GLU 48 2HG GLU 48 -8.188 -1.077 2.161 333 H GLY 49 H GLY 49 -4.882 -0.768 2.371 334 HA2 GLY 49 1HA GLY 49 -3.768 -3.279 3.377 335 HA3 GLY 49 2HA GLY 49 -2.632 -2.057 2.827 336 H GLU 50 H GLU 50 -2.650 -3.040 5.440 337 HA GLU 50 HA GLU 50 -3.829 -0.850 7.005 338 HB2 GLU 50 1HB GLU 50 -4.328 -3.256 7.610 339 HB3 GLU 50 2HB GLU 50 -2.637 -3.412 8.065 340 HG2 GLU 50 1HG GLU 50 -2.901 -1.711 9.761 341 HG3 GLU 50 2HG GLU 50 -4.572 -1.447 9.269 342 H PHE 51 H PHE 51 -2.593 0.576 8.088 343 HA PHE 51 HA PHE 51 0.313 0.114 8.153 344 HB2 PHE 51 1HB PHE 51 0.232 1.716 6.489 345 HB3 PHE 51 2HB PHE 51 -1.210 2.480 7.149 346 HD1 PHE 51 2HD PHE 51 2.435 2.088 7.619 347 HD2 PHE 51 1HD PHE 51 -1.055 4.318 8.602 348 HE1 PHE 51 2HE PHE 51 3.838 3.813 8.673 349 HE2 PHE 51 1HE PHE 51 0.343 6.047 9.656 350 HZ PHE 51 HZ PHE 51 2.792 5.795 9.694 351 H ASN 52 H ASN 52 1.250 0.415 10.076 352 HA ASN 52 HA ASN 52 1.283 0.569 12.375 353 HB2 ASN 52 1HB ASN 52 1.904 2.855 11.354 354 HB3 ASN 52 2HB ASN 52 0.310 3.376 11.891 355 HD21 ASN 52 1HD2 ASN 52 3.507 2.508 12.833 356 HD22 ASN 52 2HD2 ASN 52 3.362 2.934 14.501 357 H GLY 53 H GLY 53 -1.239 -0.425 11.390 358 HA2 GLY 53 1HA GLY 53 -3.167 -1.095 12.508 359 HA3 GLY 53 2HA GLY 53 -2.823 0.094 13.756 360 H ARG 54 H ARG 54 -3.144 0.624 10.271 361 HA ARG 54 HA ARG 54 -5.689 1.996 10.710 362 HB2 ARG 54 1HB ARG 54 -3.194 3.248 9.579 363 HB3 ARG 54 2HB ARG 54 -4.795 3.877 9.214 364 HG2 ARG 54 1HG ARG 54 -5.088 3.936 11.787 365 HG3 ARG 54 2HG ARG 54 -3.325 3.848 11.811 366 HD2 ARG 54 1HD ARG 54 -3.592 6.113 11.769 367 HD3 ARG 54 2HD ARG 54 -3.559 5.789 10.036 368 HE ARG 54 HE ARG 54 -6.176 5.645 10.563 369 HH11 ARG 54 2HH1 ARG 54 -3.770 7.994 11.465 370 HH12 ARG 54 1HH1 ARG 54 -4.888 9.316 11.505 371 HH21 ARG 54 2HH2 ARG 54 -7.658 7.378 10.613 372 HH22 ARG 54 1HH2 ARG 54 -7.099 8.965 11.022 373 H ILE 55 H ILE 55 -7.085 1.211 9.290 374 HA ILE 55 HA ILE 55 -6.105 0.025 6.807 375 HB ILE 55 HB ILE 55 -8.858 -0.060 8.047 376 HG12 ILE 55 1HG1 ILE 55 -6.793 -2.256 7.824 377 HG13 ILE 55 2HG1 ILE 55 -7.024 -1.276 9.268 378 HG21 ILE 55 1HG2 ILE 55 -7.755 -1.552 5.669 379 HG22 ILE 55 2HG2 ILE 55 -9.353 -1.775 6.381 380 HG23 ILE 55 3HG2 ILE 55 -8.936 -0.244 5.612 381 HD11 ILE 55 1HD1 ILE 55 -8.357 -3.639 8.533 382 HD12 ILE 55 2HD1 ILE 55 -8.642 -2.617 9.943 383 HD13 ILE 55 3HD1 ILE 55 -9.540 -2.334 8.452 384 H GLY 56 H GLY 56 -6.313 0.981 4.887 385 HA2 GLY 56 1HA GLY 56 -8.489 2.814 4.349 386 HA3 GLY 56 2HA GLY 56 -6.902 3.567 4.400 387 H VAL 57 H VAL 57 -7.123 4.147 2.194 388 HA VAL 57 HA VAL 57 -6.465 1.937 0.380 389 HB VAL 57 HB VAL 57 -7.888 2.888 -1.384 390 HG11 VAL 57 1HG1 VAL 57 -10.141 2.483 0.005 391 HG12 VAL 57 2HG1 VAL 57 -9.067 1.173 -0.489 392 HG13 VAL 57 3HG1 VAL 57 -8.975 1.821 1.149 393 HG21 VAL 57 1HG2 VAL 57 -7.854 5.204 -0.228 394 HG22 VAL 57 2HG2 VAL 57 -9.305 4.703 -1.095 395 HG23 VAL 57 3HG2 VAL 57 -9.248 4.595 0.664 396 H PHE 58 H PHE 58 -5.128 2.480 -1.348 397 HA PHE 58 HA PHE 58 -4.167 5.247 -1.478 398 HB2 PHE 58 1HB PHE 58 -1.815 4.184 -1.780 399 HB3 PHE 58 2HB PHE 58 -2.465 4.361 -0.153 400 HD1 PHE 58 2HD PHE 58 -3.972 2.239 0.569 401 HD2 PHE 58 1HD PHE 58 -0.781 2.202 -2.248 402 HE1 PHE 58 2HE PHE 58 -3.664 -0.171 0.954 403 HE2 PHE 58 1HE PHE 58 -0.469 -0.209 -1.868 404 HZ PHE 58 HZ PHE 58 -1.911 -1.398 -0.264 405 HA PRO 59 HA PRO 59 -4.265 4.747 -5.835 406 HB2 PRO 59 1HB PRO 59 -2.156 6.265 -6.620 407 HB3 PRO 59 2HB PRO 59 -3.658 6.957 -5.996 408 HG2 PRO 59 1HG PRO 59 -1.060 6.481 -4.585 409 HG3 PRO 59 2HG PRO 59 -2.132 7.893 -4.511 410 HD2 PRO 59 1HD PRO 59 -2.096 5.988 -2.587 411 HD3 PRO 59 2HD PRO 59 -3.568 6.881 -3.019 412 H SER 60 H SER 60 -1.955 3.298 -3.989 413 HA SER 60 HA SER 60 -0.220 1.849 -4.360 414 HB2 SER 60 1HB SER 60 -1.920 1.043 -6.729 415 HB3 SER 60 2HB SER 60 -0.774 0.032 -5.850 416 HG SER 60 HG SER 60 -3.156 -0.088 -5.337 417 H VAL 61 H VAL 61 0.274 4.394 -5.465 418 HA VAL 61 HA VAL 61 1.978 3.644 -7.745 419 HB VAL 61 HB VAL 61 1.618 5.918 -8.692 420 HG11 VAL 61 1HG1 VAL 61 -0.439 3.808 -8.531 421 HG12 VAL 61 2HG1 VAL 61 -0.963 5.359 -9.189 422 HG13 VAL 61 3HG1 VAL 61 0.381 4.492 -9.934 423 HG21 VAL 61 1HG2 VAL 61 -0.184 6.102 -6.338 424 HG22 VAL 61 2HG2 VAL 61 0.838 7.333 -7.079 425 HG23 VAL 61 3HG2 VAL 61 -0.693 6.887 -7.832 426 H LEU 62 H LEU 62 1.481 5.593 -4.890 427 HA LEU 62 HA LEU 62 4.093 6.845 -5.109 428 HB2 LEU 62 1HB LEU 62 1.986 6.994 -2.958 429 HB3 LEU 62 2HB LEU 62 3.481 7.928 -2.975 430 HG LEU 62 HG LEU 62 1.328 8.137 -5.076 431 HD11 LEU 62 1HD1 LEU 62 1.618 10.466 -3.438 432 HD12 LEU 62 2HD1 LEU 62 1.264 9.066 -2.426 433 HD13 LEU 62 3HD1 LEU 62 0.180 9.492 -3.751 434 HD21 LEU 62 1HD2 LEU 62 2.622 9.644 -6.124 435 HD22 LEU 62 2HD2 LEU 62 3.940 8.847 -5.263 436 HD23 LEU 62 3HD2 LEU 62 3.229 10.326 -4.614 437 H VAL 63 H VAL 63 3.626 3.874 -4.688 438 HA VAL 63 HA VAL 63 5.421 3.606 -2.369 439 HB VAL 63 HB VAL 63 4.355 1.514 -1.746 440 HG11 VAL 63 1HG1 VAL 63 2.606 3.940 -1.959 441 HG12 VAL 63 2HG1 VAL 63 2.036 2.467 -1.172 442 HG13 VAL 63 3HG1 VAL 63 3.458 3.305 -0.552 443 HG21 VAL 63 1HG2 VAL 63 3.268 1.654 -4.353 444 HG22 VAL 63 2HG2 VAL 63 3.107 0.355 -3.171 445 HG23 VAL 63 3HG2 VAL 63 1.919 1.658 -3.217 446 H GLU 64 H GLU 64 6.901 1.852 -2.453 447 HA GLU 64 HA GLU 64 7.297 0.748 -5.157 448 HB2 GLU 64 1HB GLU 64 9.027 2.354 -4.778 449 HB3 GLU 64 2HB GLU 64 9.339 1.728 -3.165 450 HG2 GLU 64 1HG GLU 64 11.098 0.959 -4.517 451 HG3 GLU 64 2HG GLU 64 10.040 -0.427 -4.261 452 H GLU 65 H GLU 65 7.602 -1.401 -5.337 453 HA GLU 65 HA GLU 65 6.895 -3.124 -3.254 454 HB2 GLU 65 1HB GLU 65 8.256 -3.566 -5.899 455 HB3 GLU 65 2HB GLU 65 7.971 -4.900 -4.789 456 HG2 GLU 65 1HG GLU 65 5.634 -4.662 -4.942 457 HG3 GLU 65 2HG GLU 65 5.769 -3.089 -5.725 458 H LEU 66 H LEU 66 8.040 -4.364 -1.828 459 HA LEU 66 HA LEU 66 10.792 -3.534 -1.348 460 HB2 LEU 66 1HB LEU 66 8.813 -5.124 0.265 461 HB3 LEU 66 2HB LEU 66 10.492 -4.906 0.754 462 HG LEU 66 HG LEU 66 8.585 -2.616 0.310 463 HD11 LEU 66 1HD1 LEU 66 7.911 -4.254 2.138 464 HD12 LEU 66 2HD1 LEU 66 8.110 -2.565 2.605 465 HD13 LEU 66 3HD1 LEU 66 9.372 -3.738 2.981 466 HD21 LEU 66 1HD2 LEU 66 10.465 -1.436 0.455 467 HD22 LEU 66 2HD2 LEU 66 11.408 -2.859 0.896 468 HD23 LEU 66 3HD2 LEU 66 10.558 -1.943 2.142 469 H SER 67 H SER 67 12.530 -4.772 -1.706 470 HA SER 67 HA SER 67 12.124 -7.628 -2.282 471 HB2 SER 67 1HB SER 67 13.570 -7.544 -4.179 472 HB3 SER 67 2HB SER 67 12.418 -6.224 -4.376 473 HG SER 67 HG SER 67 15.108 -6.127 -4.160 474 H SER 68 H SER 68 13.934 -8.985 -1.871 475 HA SER 68 HA SER 68 15.673 -7.917 0.225 476 HB2 SER 68 1HB SER 68 16.105 -10.251 0.806 477 HB3 SER 68 2HB SER 68 14.368 -9.965 0.707 478 HG SER 68 HG SER 68 14.767 -10.713 -1.616 479 H GLY 69 H GLY 69 17.912 -9.104 0.271 480 HA2 GLY 69 1HA GLY 69 19.574 -10.098 -1.338 481 HA3 GLY 69 2HA GLY 69 19.066 -8.821 -2.434 482 HA PRO 70 HA PRO 70 22.834 -7.292 -0.273 483 HB2 PRO 70 1HB PRO 70 23.877 -6.100 -2.478 484 HB3 PRO 70 2HB PRO 70 24.122 -7.810 -2.104 485 HG2 PRO 70 1HG PRO 70 22.177 -6.544 -3.995 486 HG3 PRO 70 2HG PRO 70 23.180 -7.989 -4.222 487 HD2 PRO 70 1HD PRO 70 20.554 -8.126 -3.576 488 HD3 PRO 70 2HD PRO 70 21.736 -9.333 -3.030 489 H SER 71 H SER 71 22.177 -5.629 0.964 490 HA SER 71 HA SER 71 20.491 -3.538 0.134 491 HB2 SER 71 1HB SER 71 20.877 -4.244 2.510 492 HB3 SER 71 2HB SER 71 22.457 -3.465 2.433 493 HG SER 71 HG SER 71 20.034 -2.110 1.870 494 H SER 72 H SER 72 20.895 -1.868 -1.139 495 HA SER 72 HA SER 72 23.284 -0.317 -0.937 496 HB2 SER 72 1HB SER 72 24.067 -2.259 -2.316 497 HB3 SER 72 2HB SER 72 22.877 -1.811 -3.538 498 HG SER 72 HG SER 72 24.597 -0.724 -4.210 499 H GLY 73 H GLY 73 22.557 1.687 -1.147 500 HA2 GLY 73 1HA GLY 73 21.339 3.500 -1.850 501 HA3 GLY 73 2HA GLY 73 21.286 2.702 -3.415 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -8.565 -16.032 -14.488 2 HA2 GLY 1 1HA GLY 1 -7.551 -17.191 -16.330 3 HA3 GLY 1 2HA GLY 1 -6.609 -15.746 -16.669 4 H SER 2 H SER 2 -4.655 -15.459 -15.698 5 HA SER 2 HA SER 2 -3.462 -17.775 -14.493 6 HB2 SER 2 1HB SER 2 -2.503 -15.093 -15.388 7 HB3 SER 2 2HB SER 2 -1.509 -15.992 -14.242 8 HG SER 2 HG SER 2 -2.468 -17.406 -16.430 9 H SER 3 H SER 3 -2.079 -17.509 -12.493 10 HA SER 3 HA SER 3 -3.536 -17.217 -10.238 11 HB2 SER 3 1HB SER 3 -1.364 -16.715 -9.045 12 HB3 SER 3 2HB SER 3 -1.326 -18.131 -10.096 13 HG SER 3 HG SER 3 0.406 -17.122 -10.804 14 H GLY 4 H GLY 4 -4.485 -15.625 -9.140 15 HA2 GLY 4 1HA GLY 4 -4.165 -12.894 -10.076 16 HA3 GLY 4 2HA GLY 4 -5.357 -13.470 -8.920 17 H SER 5 H SER 5 -4.856 -13.532 -6.734 18 HA SER 5 HA SER 5 -2.760 -11.711 -5.938 19 HB2 SER 5 1HB SER 5 -4.876 -13.197 -4.370 20 HB3 SER 5 2HB SER 5 -3.702 -12.108 -3.632 21 HG SER 5 HG SER 5 -5.581 -11.418 -5.647 22 H SER 6 H SER 6 -1.093 -12.186 -4.448 23 HA SER 6 HA SER 6 -0.068 -14.897 -4.724 24 HB2 SER 6 1HB SER 6 1.260 -12.487 -3.465 25 HB3 SER 6 2HB SER 6 2.039 -13.998 -3.930 26 HG SER 6 HG SER 6 2.204 -13.257 -5.881 27 H GLY 7 H GLY 7 -0.913 -12.599 -2.157 28 HA2 GLY 7 1HA GLY 7 -2.141 -14.022 -0.336 29 HA3 GLY 7 2HA GLY 7 -0.531 -14.703 -0.152 30 H VAL 8 H VAL 8 1.234 -12.990 0.146 31 HA VAL 8 HA VAL 8 0.240 -10.739 1.756 32 HB VAL 8 HB VAL 8 0.879 -12.519 3.312 33 HG11 VAL 8 1HG1 VAL 8 2.814 -13.693 3.237 34 HG12 VAL 8 2HG1 VAL 8 2.732 -13.265 1.527 35 HG13 VAL 8 3HG1 VAL 8 3.748 -12.328 2.625 36 HG21 VAL 8 1HG2 VAL 8 2.997 -11.085 4.242 37 HG22 VAL 8 2HG2 VAL 8 2.223 -9.915 3.174 38 HG23 VAL 8 3HG2 VAL 8 1.305 -10.652 4.488 39 H CYS 9 H CYS 9 1.070 -8.884 1.080 40 HA CYS 9 HA CYS 9 3.780 -8.869 -0.059 41 HB2 CYS 9 1HB CYS 9 1.245 -7.900 -1.279 42 HB3 CYS 9 2HB CYS 9 2.684 -6.919 -1.524 43 HG CYS 9 HG CYS 9 2.699 -8.328 -3.790 44 H PHE 10 H PHE 10 4.719 -6.644 -0.139 45 HA PHE 10 HA PHE 10 3.601 -4.766 1.785 46 HB2 PHE 10 1HB PHE 10 6.260 -6.148 2.128 47 HB3 PHE 10 2HB PHE 10 5.892 -4.612 2.906 48 HD1 PHE 10 1HD PHE 10 4.222 -4.480 4.673 49 HD2 PHE 10 2HD PHE 10 5.248 -8.194 2.864 50 HE1 PHE 10 1HE PHE 10 3.141 -5.679 6.530 51 HE2 PHE 10 2HE PHE 10 4.168 -9.399 4.718 52 HZ PHE 10 HZ PHE 10 3.112 -8.142 6.553 53 H VAL 11 H VAL 11 4.273 -2.655 1.490 54 HA VAL 11 HA VAL 11 6.331 -2.101 -0.504 55 HB VAL 11 HB VAL 11 4.917 -0.586 -1.779 56 HG11 VAL 11 1HG1 VAL 11 3.751 -3.355 -1.519 57 HG12 VAL 11 2HG1 VAL 11 3.455 -2.252 -2.865 58 HG13 VAL 11 3HG1 VAL 11 5.082 -2.866 -2.568 59 HG21 VAL 11 1HG2 VAL 11 2.532 -0.428 -1.420 60 HG22 VAL 11 2HG2 VAL 11 2.626 -1.577 -0.085 61 HG23 VAL 11 3HG2 VAL 11 3.381 0.010 0.063 62 H LYS 12 H LYS 12 7.375 -0.179 -0.206 63 HA LYS 12 HA LYS 12 6.653 1.304 2.219 64 HB2 LYS 12 1HB LYS 12 8.900 0.495 2.275 65 HB3 LYS 12 2HB LYS 12 9.223 1.092 0.652 66 HG2 LYS 12 1HG LYS 12 8.670 3.415 1.731 67 HG3 LYS 12 2HG LYS 12 9.085 2.575 3.228 68 HD2 LYS 12 1HD LYS 12 11.147 3.372 2.633 69 HD3 LYS 12 2HD LYS 12 11.176 1.809 1.814 70 HE2 LYS 12 1HE LYS 12 10.525 2.852 -0.270 71 HE3 LYS 12 2HE LYS 12 10.363 4.414 0.530 72 HZ1 LYS 12 1HZ LYS 12 12.510 3.871 -0.763 73 HZ2 LYS 12 2HZ LYS 12 12.933 2.980 0.611 74 HZ3 LYS 12 3HZ LYS 12 12.632 4.639 0.740 75 H ALA 13 H ALA 13 5.947 3.345 2.147 76 HA ALA 13 HA ALA 13 5.258 4.550 -0.328 77 HB1 ALA 13 1HB ALA 13 4.636 4.939 2.404 78 HB2 ALA 13 2HB ALA 13 5.213 6.479 1.765 79 HB3 ALA 13 3HB ALA 13 3.860 5.655 0.990 80 H LEU 14 H LEU 14 6.796 5.278 -1.663 81 HA LEU 14 HA LEU 14 9.341 6.178 -0.905 82 HB2 LEU 14 1HB LEU 14 7.801 6.845 -3.409 83 HB3 LEU 14 2HB LEU 14 9.542 7.008 -3.187 84 HG LEU 14 HG LEU 14 8.170 4.345 -2.966 85 HD11 LEU 14 1HD1 LEU 14 9.253 5.644 -5.461 86 HD12 LEU 14 2HD1 LEU 14 7.569 5.235 -5.138 87 HD13 LEU 14 3HD1 LEU 14 8.768 3.955 -5.314 88 HD21 LEU 14 1HD2 LEU 14 10.236 3.493 -2.815 89 HD22 LEU 14 2HD2 LEU 14 10.714 5.134 -2.380 90 HD23 LEU 14 3HD2 LEU 14 10.880 4.580 -4.046 91 H TYR 15 H TYR 15 6.306 7.878 -1.378 92 HA TYR 15 HA TYR 15 7.553 10.283 -0.240 93 HB2 TYR 15 1HB TYR 15 5.490 10.418 -2.435 94 HB3 TYR 15 2HB TYR 15 6.476 11.727 -1.793 95 HD1 TYR 15 1HD TYR 15 6.537 8.667 -3.862 96 HD2 TYR 15 2HD TYR 15 8.670 12.134 -2.623 97 HE1 TYR 15 1HE TYR 15 8.205 8.264 -5.625 98 HE2 TYR 15 2HE TYR 15 10.343 11.742 -4.384 99 HH TYR 15 HH TYR 15 11.183 9.707 -5.702 100 H ASP 16 H ASP 16 6.448 11.156 1.398 101 HA ASP 16 HA ASP 16 4.447 9.942 2.769 102 HB2 ASP 16 1HB ASP 16 3.841 12.337 3.566 103 HB3 ASP 16 2HB ASP 16 5.461 11.722 3.884 104 H TYR 17 H TYR 17 2.257 9.820 2.736 105 HA TYR 17 HA TYR 17 0.900 11.101 0.455 106 HB2 TYR 17 1HB TYR 17 0.923 8.722 0.133 107 HB3 TYR 17 2HB TYR 17 0.380 8.438 1.783 108 HD1 TYR 17 1HD TYR 17 -1.946 9.556 2.378 109 HD2 TYR 17 2HD TYR 17 -0.640 8.633 -1.565 110 HE1 TYR 17 1HE TYR 17 -4.283 9.547 1.612 111 HE2 TYR 17 2HE TYR 17 -2.974 8.623 -2.342 112 HH TYR 17 HH TYR 17 -5.533 9.845 -0.491 113 H GLU 18 H GLU 18 -0.618 12.537 0.934 114 HA GLU 18 HA GLU 18 -1.646 12.627 3.683 115 HB2 GLU 18 1HB GLU 18 -0.498 14.624 2.374 116 HB3 GLU 18 2HB GLU 18 -2.120 14.833 1.730 117 HG2 GLU 18 1HG GLU 18 -1.793 14.570 4.670 118 HG3 GLU 18 2HG GLU 18 -1.323 16.084 3.899 119 H GLY 19 H GLY 19 -3.508 11.570 3.916 120 HA2 GLY 19 1HA GLY 19 -5.361 11.298 1.704 121 HA3 GLY 19 2HA GLY 19 -5.525 10.580 3.300 122 H GLN 20 H GLN 20 -7.293 12.278 1.446 123 HA GLN 20 HA GLN 20 -7.814 14.619 3.067 124 HB2 GLN 20 1HB GLN 20 -9.309 13.527 0.677 125 HB3 GLN 20 2HB GLN 20 -9.574 15.098 1.423 126 HG2 GLN 20 1HG GLN 20 -7.090 14.172 0.001 127 HG3 GLN 20 2HG GLN 20 -8.263 15.358 -0.571 128 HE21 GLN 20 1HE2 GLN 20 -8.179 17.428 0.177 129 HE22 GLN 20 2HE2 GLN 20 -6.913 18.028 1.187 130 H THR 21 H THR 21 -9.161 11.434 2.556 131 HA THR 21 HA THR 21 -11.106 11.976 4.702 132 HB THR 21 HB THR 21 -12.677 10.414 3.642 133 HG1 THR 21 1HG THR 21 -12.050 10.045 1.267 134 HG21 THR 21 1HG2 THR 21 -11.765 12.647 1.824 135 HG22 THR 21 2HG2 THR 21 -12.921 12.781 3.149 136 HG23 THR 21 3HG2 THR 21 -13.322 11.825 1.723 137 H ASP 22 H ASP 22 -11.805 10.014 5.871 138 HA ASP 22 HA ASP 22 -9.670 8.586 6.916 139 HB2 ASP 22 1HB ASP 22 -11.334 7.151 7.984 140 HB3 ASP 22 2HB ASP 22 -11.842 8.836 8.053 141 H ASP 23 H ASP 23 -11.979 7.633 4.403 142 HA ASP 23 HA ASP 23 -11.392 5.017 3.991 143 HB2 ASP 23 1HB ASP 23 -11.582 6.962 1.690 144 HB3 ASP 23 2HB ASP 23 -12.085 5.274 1.725 145 H GLU 24 H GLU 24 -9.450 7.777 2.934 146 HA GLU 24 HA GLU 24 -7.499 6.139 1.609 147 HB2 GLU 24 1HB GLU 24 -7.528 9.057 2.382 148 HB3 GLU 24 2HB GLU 24 -6.190 8.298 1.529 149 HG2 GLU 24 1HG GLU 24 -7.446 7.956 -0.396 150 HG3 GLU 24 2HG GLU 24 -8.978 8.147 0.455 151 H LEU 25 H LEU 25 -5.105 6.536 2.245 152 HA LEU 25 HA LEU 25 -4.848 6.204 5.162 153 HB2 LEU 25 1HB LEU 25 -4.494 4.189 3.501 154 HB3 LEU 25 2HB LEU 25 -2.911 4.934 3.289 155 HG LEU 25 HG LEU 25 -2.675 4.779 5.820 156 HD11 LEU 25 1HD1 LEU 25 -5.106 4.376 6.211 157 HD12 LEU 25 2HD1 LEU 25 -4.039 3.210 6.991 158 HD13 LEU 25 3HD1 LEU 25 -4.897 2.770 5.514 159 HD21 LEU 25 1HD2 LEU 25 -2.854 2.239 4.203 160 HD22 LEU 25 2HD2 LEU 25 -1.967 2.440 5.714 161 HD23 LEU 25 3HD2 LEU 25 -1.470 3.330 4.274 162 H SER 26 H SER 26 -3.359 7.416 6.175 163 HA SER 26 HA SER 26 -1.620 9.099 4.495 164 HB2 SER 26 1HB SER 26 -1.677 10.753 6.291 165 HB3 SER 26 2HB SER 26 -3.320 10.339 5.803 166 HG SER 26 HG SER 26 -2.730 10.395 8.166 167 H PHE 27 H PHE 27 0.434 8.502 4.515 168 HA PHE 27 HA PHE 27 1.624 7.610 7.048 169 HB2 PHE 27 1HB PHE 27 3.066 6.114 5.370 170 HB3 PHE 27 2HB PHE 27 1.569 5.533 6.093 171 HD1 PHE 27 2HD PHE 27 2.928 7.180 3.057 172 HD2 PHE 27 1HD PHE 27 -0.195 4.836 4.751 173 HE1 PHE 27 2HE PHE 27 1.997 6.803 0.811 174 HE2 PHE 27 1HE PHE 27 -1.131 4.455 2.507 175 HZ PHE 27 HZ PHE 27 -0.035 5.440 0.534 176 HA PRO 28 HA PRO 28 4.876 10.424 6.179 177 HB2 PRO 28 1HB PRO 28 7.003 9.148 7.283 178 HB3 PRO 28 2HB PRO 28 5.728 9.900 8.248 179 HG2 PRO 28 1HG PRO 28 6.098 7.022 7.512 180 HG3 PRO 28 2HG PRO 28 5.630 7.727 9.070 181 HD2 PRO 28 1HD PRO 28 3.830 6.642 7.362 182 HD3 PRO 28 2HD PRO 28 3.434 8.007 8.426 183 H GLU 29 H GLU 29 7.402 10.227 5.510 184 HA GLU 29 HA GLU 29 7.330 9.072 2.860 185 HB2 GLU 29 1HB GLU 29 8.266 11.281 3.081 186 HB3 GLU 29 2HB GLU 29 9.404 10.727 4.301 187 HG2 GLU 29 1HG GLU 29 10.668 9.522 2.724 188 HG3 GLU 29 2HG GLU 29 9.408 9.655 1.499 189 H GLY 30 H GLY 30 7.527 6.884 2.941 190 HA2 GLY 30 1HA GLY 30 9.143 5.117 2.715 191 HA3 GLY 30 2HA GLY 30 10.078 5.864 4.002 192 H ALA 31 H ALA 31 6.629 5.023 3.813 193 HA ALA 31 HA ALA 31 6.992 3.433 6.266 194 HB1 ALA 31 1HB ALA 31 4.272 3.891 5.979 195 HB2 ALA 31 2HB ALA 31 5.372 4.727 7.074 196 HB3 ALA 31 3HB ALA 31 5.025 5.407 5.485 197 H ILE 32 H ILE 32 6.740 1.307 6.116 198 HA ILE 32 HA ILE 32 5.921 0.086 3.658 199 HB ILE 32 HB ILE 32 6.713 -1.036 6.336 200 HG12 ILE 32 1HG1 ILE 32 8.574 -1.987 4.893 201 HG13 ILE 32 2HG1 ILE 32 7.975 -0.963 3.593 202 HG21 ILE 32 1HG2 ILE 32 5.346 -2.359 4.086 203 HG22 ILE 32 2HG2 ILE 32 6.750 -3.203 4.736 204 HG23 ILE 32 3HG2 ILE 32 5.402 -2.790 5.795 205 HD11 ILE 32 1HD1 ILE 32 8.446 0.450 6.107 206 HD12 ILE 32 2HD1 ILE 32 9.889 -0.260 5.382 207 HD13 ILE 32 3HD1 ILE 32 8.904 0.872 4.457 208 H ILE 33 H ILE 33 4.087 -1.089 3.218 209 HA ILE 33 HA ILE 33 1.963 -1.064 5.255 210 HB ILE 33 HB ILE 33 1.538 -0.473 2.324 211 HG12 ILE 33 1HG1 ILE 33 0.991 1.512 4.485 212 HG13 ILE 33 2HG1 ILE 33 2.659 1.281 3.973 213 HG21 ILE 33 1HG2 ILE 33 -0.745 -0.122 2.856 214 HG22 ILE 33 2HG2 ILE 33 -0.292 -1.664 3.580 215 HG23 ILE 33 3HG2 ILE 33 -0.428 -0.223 4.588 216 HD11 ILE 33 1HD1 ILE 33 2.324 2.281 1.986 217 HD12 ILE 33 2HD1 ILE 33 0.680 1.662 1.825 218 HD13 ILE 33 3HD1 ILE 33 1.001 3.054 2.859 219 H ARG 34 H ARG 34 0.635 -2.838 5.316 220 HA ARG 34 HA ARG 34 1.592 -5.177 3.880 221 HB2 ARG 34 1HB ARG 34 1.098 -5.190 6.352 222 HB3 ARG 34 2HB ARG 34 -0.605 -5.030 5.946 223 HG2 ARG 34 1HG ARG 34 -0.668 -7.155 4.931 224 HG3 ARG 34 2HG ARG 34 1.092 -7.278 4.910 225 HD2 ARG 34 1HD ARG 34 1.048 -7.260 7.405 226 HD3 ARG 34 2HD ARG 34 -0.712 -7.331 7.324 227 HE ARG 34 HE ARG 34 0.061 -9.449 5.831 228 HH11 ARG 34 2HH1 ARG 34 0.855 -8.369 9.044 229 HH12 ARG 34 1HH1 ARG 34 1.127 -9.967 9.655 230 HH21 ARG 34 2HH2 ARG 34 0.415 -11.559 6.624 231 HH22 ARG 34 1HH2 ARG 34 0.877 -11.781 8.278 232 H ILE 35 H ILE 35 0.824 -5.390 1.872 233 HA ILE 35 HA ILE 35 -1.624 -4.363 0.940 234 HB ILE 35 HB ILE 35 -0.030 -6.641 -0.239 235 HG12 ILE 35 1HG1 ILE 35 1.205 -4.447 0.188 236 HG13 ILE 35 2HG1 ILE 35 1.219 -5.048 -1.466 237 HG21 ILE 35 1HG2 ILE 35 -1.963 -6.720 -1.447 238 HG22 ILE 35 2HG2 ILE 35 -2.331 -5.017 -1.180 239 HG23 ILE 35 3HG2 ILE 35 -1.104 -5.479 -2.359 240 HD11 ILE 35 1HD1 ILE 35 -1.004 -3.251 -0.900 241 HD12 ILE 35 2HD1 ILE 35 0.585 -2.510 -0.703 242 HD13 ILE 35 3HD1 ILE 35 0.144 -3.258 -2.239 243 H LEU 36 H LEU 36 -3.637 -5.070 1.167 244 HA LEU 36 HA LEU 36 -4.058 -7.802 2.166 245 HB2 LEU 36 1HB LEU 36 -5.872 -5.396 2.253 246 HB3 LEU 36 2HB LEU 36 -6.262 -6.989 2.898 247 HG LEU 36 HG LEU 36 -3.950 -5.335 3.894 248 HD11 LEU 36 1HD1 LEU 36 -6.423 -4.413 4.111 249 HD12 LEU 36 2HD1 LEU 36 -5.258 -4.283 5.428 250 HD13 LEU 36 3HD1 LEU 36 -6.468 -5.565 5.446 251 HD21 LEU 36 1HD2 LEU 36 -4.017 -7.832 4.273 252 HD22 LEU 36 2HD2 LEU 36 -5.456 -7.556 5.256 253 HD23 LEU 36 3HD2 LEU 36 -3.916 -6.833 5.723 254 H ASN 37 H ASN 37 -5.383 -5.438 -0.135 255 HA ASN 37 HA ASN 37 -6.228 -7.681 -1.829 256 HB2 ASN 37 1HB ASN 37 -7.919 -5.460 -0.766 257 HB3 ASN 37 2HB ASN 37 -8.238 -6.052 -2.394 258 HD21 ASN 37 1HD2 ASN 37 -8.767 -6.522 0.887 259 HD22 ASN 37 2HD2 ASN 37 -9.507 -8.081 0.805 260 H LYS 38 H LYS 38 -5.942 -7.384 -3.990 261 HA LYS 38 HA LYS 38 -5.022 -4.736 -4.887 262 HB2 LYS 38 1HB LYS 38 -3.733 -7.414 -5.274 263 HB3 LYS 38 2HB LYS 38 -3.526 -6.162 -6.492 264 HG2 LYS 38 1HG LYS 38 -2.834 -4.695 -4.443 265 HG3 LYS 38 2HG LYS 38 -2.534 -6.261 -3.685 266 HD2 LYS 38 1HD LYS 38 -1.376 -5.392 -6.332 267 HD3 LYS 38 2HD LYS 38 -0.531 -5.278 -4.787 268 HE2 LYS 38 1HE LYS 38 -1.672 -7.880 -5.744 269 HE3 LYS 38 2HE LYS 38 -0.091 -7.324 -6.293 270 HZ1 LYS 38 1HZ LYS 38 -0.012 -8.805 -4.331 271 HZ2 LYS 38 2HZ LYS 38 -0.843 -7.633 -3.439 272 HZ3 LYS 38 3HZ LYS 38 0.696 -7.293 -4.056 273 H GLU 39 H GLU 39 -7.611 -5.373 -5.197 274 HA GLU 39 HA GLU 39 -8.097 -6.688 -7.712 275 HB2 GLU 39 1HB GLU 39 -10.457 -5.774 -7.321 276 HB3 GLU 39 2HB GLU 39 -9.841 -6.944 -6.162 277 HG2 GLU 39 1HG GLU 39 -9.449 -5.281 -4.538 278 HG3 GLU 39 2HG GLU 39 -9.672 -3.983 -5.709 279 H ASN 40 H ASN 40 -6.562 -5.238 -8.874 280 HA ASN 40 HA ASN 40 -7.584 -2.566 -9.437 281 HB2 ASN 40 1HB ASN 40 -5.087 -3.225 -9.072 282 HB3 ASN 40 2HB ASN 40 -5.162 -3.761 -10.748 283 HD21 ASN 40 1HD2 ASN 40 -4.343 -1.261 -8.829 284 HD22 ASN 40 2HD2 ASN 40 -4.516 0.046 -9.945 285 H GLN 41 H GLN 41 -9.527 -3.429 -10.478 286 HA GLN 41 HA GLN 41 -9.010 -4.362 -13.223 287 HB2 GLN 41 1HB GLN 41 -11.297 -4.868 -11.339 288 HB3 GLN 41 2HB GLN 41 -11.488 -5.075 -13.075 289 HG2 GLN 41 1HG GLN 41 -9.425 -6.485 -11.399 290 HG3 GLN 41 2HG GLN 41 -10.978 -7.170 -11.876 291 HE21 GLN 41 1HE2 GLN 41 -11.390 -7.307 -14.212 292 HE22 GLN 41 2HE2 GLN 41 -10.063 -7.657 -15.261 293 H ASP 42 H ASP 42 -11.373 -2.458 -11.350 294 HA ASP 42 HA ASP 42 -11.992 -0.910 -13.751 295 HB2 ASP 42 1HB ASP 42 -13.288 -0.814 -11.018 296 HB3 ASP 42 2HB ASP 42 -13.874 -0.021 -12.478 297 H ASP 43 H ASP 43 -12.641 1.517 -12.921 298 HA ASP 43 HA ASP 43 -10.307 2.942 -12.772 299 HB2 ASP 43 1HB ASP 43 -13.067 3.664 -11.784 300 HB3 ASP 43 2HB ASP 43 -11.735 4.816 -11.823 301 H ASP 44 H ASP 44 -11.842 1.196 -10.261 302 HA ASP 44 HA ASP 44 -10.580 2.640 -8.099 303 HB2 ASP 44 1HB ASP 44 -12.835 1.247 -8.131 304 HB3 ASP 44 2HB ASP 44 -11.752 -0.079 -7.718 305 H GLY 45 H GLY 45 -8.611 1.935 -9.808 306 HA2 GLY 45 1HA GLY 45 -7.425 -0.593 -9.158 307 HA3 GLY 45 2HA GLY 45 -6.669 0.712 -10.060 308 H PHE 46 H PHE 46 -7.955 0.568 -6.746 309 HA PHE 46 HA PHE 46 -5.322 1.488 -5.802 310 HB2 PHE 46 1HB PHE 46 -8.108 1.981 -4.769 311 HB3 PHE 46 2HB PHE 46 -6.689 2.248 -3.761 312 HD1 PHE 46 2HD PHE 46 -7.648 3.025 -7.287 313 HD2 PHE 46 1HD PHE 46 -6.099 4.448 -3.587 314 HE1 PHE 46 2HE PHE 46 -7.383 5.267 -8.265 315 HE2 PHE 46 1HE PHE 46 -5.832 6.693 -4.559 316 HZ PHE 46 HZ PHE 46 -6.473 7.104 -6.901 317 H TRP 47 H TRP 47 -4.391 0.543 -3.989 318 HA TRP 47 HA TRP 47 -5.431 -2.126 -3.352 319 HB2 TRP 47 1HB TRP 47 -2.672 -0.941 -2.979 320 HB3 TRP 47 2HB TRP 47 -3.135 -2.572 -2.500 321 HD1 TRP 47 HD TRP 47 -4.948 -2.645 -5.426 322 HE1 TRP 47 1HE TRP 47 -3.606 -3.370 -7.499 323 HE3 TRP 47 3HE TRP 47 -0.221 -1.843 -3.653 324 HZ2 TRP 47 2HZ TRP 47 -0.900 -3.575 -8.279 325 HZ3 TRP 47 3HZ TRP 47 1.690 -2.329 -5.125 326 HH2 TRP 47 HH TRP 47 1.355 -3.178 -7.390 327 H GLU 48 H GLU 48 -5.940 -2.735 -1.305 328 HA GLU 48 HA GLU 48 -5.995 -0.600 0.705 329 HB2 GLU 48 1HB GLU 48 -8.122 -1.770 0.066 330 HB3 GLU 48 2HB GLU 48 -7.453 -3.245 0.750 331 HG2 GLU 48 1HG GLU 48 -7.155 -1.836 2.894 332 HG3 GLU 48 2HG GLU 48 -8.315 -0.745 2.138 333 H GLY 49 H GLY 49 -4.666 -0.641 2.394 334 HA2 GLY 49 1HA GLY 49 -3.619 -3.223 3.325 335 HA3 GLY 49 2HA GLY 49 -2.479 -1.957 2.894 336 H GLU 50 H GLU 50 -2.513 -3.071 5.426 337 HA GLU 50 HA GLU 50 -3.794 -1.015 7.093 338 HB2 GLU 50 1HB GLU 50 -4.418 -3.278 7.697 339 HB3 GLU 50 2HB GLU 50 -2.728 -3.751 7.807 340 HG2 GLU 50 1HG GLU 50 -2.625 -1.846 9.596 341 HG3 GLU 50 2HG GLU 50 -4.365 -2.115 9.677 342 H PHE 51 H PHE 51 -2.613 0.361 8.295 343 HA PHE 51 HA PHE 51 0.203 -0.148 8.791 344 HB2 PHE 51 1HB PHE 51 0.191 0.955 6.584 345 HB3 PHE 51 2HB PHE 51 -0.705 2.306 7.271 346 HD1 PHE 51 2HD PHE 51 2.368 0.367 8.139 347 HD2 PHE 51 1HD PHE 51 0.545 4.181 7.643 348 HE1 PHE 51 2HE PHE 51 4.489 1.456 8.749 349 HE2 PHE 51 1HE PHE 51 2.663 5.276 8.251 350 HZ PHE 51 HZ PHE 51 4.638 3.913 8.806 351 H ASN 52 H ASN 52 0.922 0.785 10.641 352 HA ASN 52 HA ASN 52 0.754 1.695 12.725 353 HB2 ASN 52 1HB ASN 52 0.405 4.030 12.783 354 HB3 ASN 52 2HB ASN 52 1.033 3.709 11.169 355 HD21 ASN 52 1HD2 ASN 52 -0.207 4.132 9.417 356 HD22 ASN 52 2HD2 ASN 52 -1.775 4.854 9.497 357 H GLY 53 H GLY 53 -1.467 -0.005 11.829 358 HA2 GLY 53 1HA GLY 53 -3.376 -0.780 12.878 359 HA3 GLY 53 2HA GLY 53 -3.273 0.580 13.986 360 H ARG 54 H ARG 54 -3.245 1.171 10.574 361 HA ARG 54 HA ARG 54 -6.012 2.169 10.765 362 HB2 ARG 54 1HB ARG 54 -3.582 3.290 9.407 363 HB3 ARG 54 2HB ARG 54 -5.190 3.697 8.823 364 HG2 ARG 54 1HG ARG 54 -4.639 4.020 11.722 365 HG3 ARG 54 2HG ARG 54 -3.933 5.185 10.600 366 HD2 ARG 54 1HD ARG 54 -5.950 6.182 11.090 367 HD3 ARG 54 2HD ARG 54 -6.347 5.286 9.625 368 HE ARG 54 HE ARG 54 -6.937 3.566 11.661 369 HH11 ARG 54 2HH1 ARG 54 -7.889 6.807 10.817 370 HH12 ARG 54 1HH1 ARG 54 -9.460 6.672 11.535 371 HH21 ARG 54 2HH2 ARG 54 -9.002 3.377 12.611 372 HH22 ARG 54 1HH2 ARG 54 -10.092 4.721 12.556 373 H ILE 55 H ILE 55 -7.143 2.294 8.630 374 HA ILE 55 HA ILE 55 -6.259 0.282 6.700 375 HB ILE 55 HB ILE 55 -8.998 0.257 7.972 376 HG12 ILE 55 1HG1 ILE 55 -6.878 -1.894 8.023 377 HG13 ILE 55 2HG1 ILE 55 -7.074 -0.708 9.308 378 HG21 ILE 55 1HG2 ILE 55 -9.372 -1.741 6.569 379 HG22 ILE 55 2HG2 ILE 55 -9.148 -0.271 5.622 380 HG23 ILE 55 3HG2 ILE 55 -7.832 -1.436 5.767 381 HD11 ILE 55 1HD1 ILE 55 -8.200 -3.096 9.402 382 HD12 ILE 55 2HD1 ILE 55 -8.974 -1.667 10.088 383 HD13 ILE 55 3HD1 ILE 55 -9.463 -2.258 8.501 384 H GLY 56 H GLY 56 -6.128 1.449 4.889 385 HA2 GLY 56 1HA GLY 56 -8.528 2.879 4.005 386 HA3 GLY 56 2HA GLY 56 -7.020 3.779 4.082 387 H VAL 57 H VAL 57 -7.291 4.137 1.796 388 HA VAL 57 HA VAL 57 -6.288 1.865 0.222 389 HB VAL 57 HB VAL 57 -7.673 2.557 -1.688 390 HG11 VAL 57 1HG1 VAL 57 -9.221 1.947 0.828 391 HG12 VAL 57 2HG1 VAL 57 -9.839 1.761 -0.815 392 HG13 VAL 57 3HG1 VAL 57 -8.483 0.776 -0.265 393 HG21 VAL 57 1HG2 VAL 57 -8.282 4.782 0.093 394 HG22 VAL 57 2HG2 VAL 57 -8.423 4.664 -1.661 395 HG23 VAL 57 3HG2 VAL 57 -9.719 4.058 -0.629 396 H PHE 58 H PHE 58 -4.688 2.333 -1.194 397 HA PHE 58 HA PHE 58 -3.976 5.171 -1.544 398 HB2 PHE 58 1HB PHE 58 -1.564 4.188 -1.728 399 HB3 PHE 58 2HB PHE 58 -2.276 4.444 -0.138 400 HD1 PHE 58 2HD PHE 58 -3.528 2.397 0.879 401 HD2 PHE 58 1HD PHE 58 -0.644 2.142 -2.241 402 HE1 PHE 58 2HE PHE 58 -3.147 0.030 1.430 403 HE2 PHE 58 1HE PHE 58 -0.259 -0.227 -1.696 404 HZ PHE 58 HZ PHE 58 -1.510 -1.285 0.143 405 HA PRO 59 HA PRO 59 -3.867 4.515 -5.880 406 HB2 PRO 59 1HB PRO 59 -1.792 6.094 -6.636 407 HB3 PRO 59 2HB PRO 59 -3.346 6.742 -6.098 408 HG2 PRO 59 1HG PRO 59 -0.791 6.429 -4.568 409 HG3 PRO 59 2HG PRO 59 -1.922 7.794 -4.589 410 HD2 PRO 59 1HD PRO 59 -1.887 5.962 -2.596 411 HD3 PRO 59 2HD PRO 59 -3.376 6.775 -3.119 412 H SER 60 H SER 60 -1.580 3.228 -3.891 413 HA SER 60 HA SER 60 0.221 1.836 -4.136 414 HB2 SER 60 1HB SER 60 -1.338 0.903 -6.556 415 HB3 SER 60 2HB SER 60 -0.186 -0.039 -5.610 416 HG SER 60 HG SER 60 -1.821 0.667 -3.825 417 H VAL 61 H VAL 61 0.575 4.395 -5.369 418 HA VAL 61 HA VAL 61 2.417 3.650 -7.547 419 HB VAL 61 HB VAL 61 2.007 5.745 -8.652 420 HG11 VAL 61 1HG1 VAL 61 0.239 4.894 -9.698 421 HG12 VAL 61 2HG1 VAL 61 0.118 3.706 -8.399 422 HG13 VAL 61 3HG1 VAL 61 -0.803 5.208 -8.311 423 HG21 VAL 61 1HG2 VAL 61 0.576 6.386 -6.136 424 HG22 VAL 61 2HG2 VAL 61 1.597 7.406 -7.149 425 HG23 VAL 61 3HG2 VAL 61 -0.065 7.066 -7.632 426 H LEU 62 H LEU 62 1.831 5.542 -4.682 427 HA LEU 62 HA LEU 62 4.399 6.886 -4.840 428 HB2 LEU 62 1HB LEU 62 2.252 6.895 -2.726 429 HB3 LEU 62 2HB LEU 62 3.730 7.853 -2.652 430 HG LEU 62 HG LEU 62 1.627 8.127 -4.797 431 HD11 LEU 62 1HD1 LEU 62 2.008 10.281 -2.840 432 HD12 LEU 62 2HD1 LEU 62 1.263 8.814 -2.205 433 HD13 LEU 62 3HD1 LEU 62 0.531 9.654 -3.572 434 HD21 LEU 62 1HD2 LEU 62 3.340 10.395 -4.328 435 HD22 LEU 62 2HD2 LEU 62 3.029 9.512 -5.823 436 HD23 LEU 62 3HD2 LEU 62 4.288 8.960 -4.717 437 H VAL 63 H VAL 63 3.735 3.847 -4.286 438 HA VAL 63 HA VAL 63 5.631 3.586 -2.042 439 HB VAL 63 HB VAL 63 4.605 1.452 -1.484 440 HG11 VAL 63 1HG1 VAL 63 2.115 2.591 -1.259 441 HG12 VAL 63 2HG1 VAL 63 3.455 2.810 -0.131 442 HG13 VAL 63 3HG1 VAL 63 3.176 3.991 -1.410 443 HG21 VAL 63 1HG2 VAL 63 3.200 1.909 -4.032 444 HG22 VAL 63 2HG2 VAL 63 3.681 0.401 -3.255 445 HG23 VAL 63 3HG2 VAL 63 2.220 1.236 -2.729 446 H GLU 64 H GLU 64 6.811 1.433 -2.087 447 HA GLU 64 HA GLU 64 7.435 0.626 -4.846 448 HB2 GLU 64 1HB GLU 64 9.779 0.662 -4.421 449 HB3 GLU 64 2HB GLU 64 9.142 2.216 -3.903 450 HG2 GLU 64 1HG GLU 64 9.501 1.786 -1.687 451 HG3 GLU 64 2HG GLU 64 9.387 0.039 -1.895 452 H GLU 65 H GLU 65 8.111 -1.516 -5.128 453 HA GLU 65 HA GLU 65 7.083 -3.345 -3.158 454 HB2 GLU 65 1HB GLU 65 8.424 -3.798 -5.827 455 HB3 GLU 65 2HB GLU 65 7.780 -5.087 -4.819 456 HG2 GLU 65 1HG GLU 65 5.594 -4.486 -5.206 457 HG3 GLU 65 2HG GLU 65 6.012 -2.822 -5.612 458 H LEU 66 H LEU 66 8.194 -4.658 -1.805 459 HA LEU 66 HA LEU 66 11.060 -4.147 -1.542 460 HB2 LEU 66 1HB LEU 66 9.050 -5.437 0.291 461 HB3 LEU 66 2HB LEU 66 10.776 -5.358 0.639 462 HG LEU 66 HG LEU 66 9.126 -2.887 0.179 463 HD11 LEU 66 1HD1 LEU 66 9.776 -3.979 2.893 464 HD12 LEU 66 2HD1 LEU 66 8.275 -4.396 2.067 465 HD13 LEU 66 3HD1 LEU 66 8.633 -2.712 2.450 466 HD21 LEU 66 1HD2 LEU 66 11.893 -3.478 0.752 467 HD22 LEU 66 2HD2 LEU 66 11.188 -2.446 1.997 468 HD23 LEU 66 3HD2 LEU 66 11.138 -1.948 0.305 469 H SER 67 H SER 67 12.523 -5.935 -1.096 470 HA SER 67 HA SER 67 11.725 -8.617 -1.739 471 HB2 SER 67 1HB SER 67 11.930 -7.497 -3.994 472 HB3 SER 67 2HB SER 67 13.645 -7.273 -3.650 473 HG SER 67 HG SER 67 12.601 -9.835 -3.329 474 H SER 68 H SER 68 13.110 -10.078 -0.890 475 HA SER 68 HA SER 68 15.536 -9.008 0.377 476 HB2 SER 68 1HB SER 68 14.055 -11.572 1.007 477 HB3 SER 68 2HB SER 68 15.393 -10.880 1.925 478 HG SER 68 HG SER 68 13.522 -10.279 2.945 479 H GLY 69 H GLY 69 17.478 -10.273 0.359 480 HA2 GLY 69 1HA GLY 69 18.686 -12.221 -0.454 481 HA3 GLY 69 2HA GLY 69 17.609 -12.235 -1.843 482 HA PRO 70 HA PRO 70 21.549 -10.193 -3.142 483 HB2 PRO 70 1HB PRO 70 21.703 -11.492 -5.520 484 HB3 PRO 70 2HB PRO 70 22.345 -12.162 -4.016 485 HG2 PRO 70 1HG PRO 70 19.754 -12.748 -5.397 486 HG3 PRO 70 2HG PRO 70 20.896 -13.872 -4.636 487 HD2 PRO 70 1HD PRO 70 18.624 -13.051 -3.412 488 HD3 PRO 70 2HD PRO 70 20.107 -13.433 -2.515 489 H SER 71 H SER 71 21.453 -8.274 -4.118 490 HA SER 71 HA SER 71 19.270 -7.787 -6.036 491 HB2 SER 71 1HB SER 71 19.441 -6.479 -3.783 492 HB3 SER 71 2HB SER 71 20.721 -5.583 -4.602 493 HG SER 71 HG SER 71 18.581 -4.665 -4.818 494 H SER 72 H SER 72 22.664 -7.061 -5.320 495 HA SER 72 HA SER 72 23.046 -6.081 -8.048 496 HB2 SER 72 1HB SER 72 23.972 -4.887 -5.976 497 HB3 SER 72 2HB SER 72 25.152 -6.195 -5.891 498 HG SER 72 HG SER 72 26.082 -4.610 -7.102 499 H GLY 73 H GLY 73 23.285 -7.702 -9.469 500 HA2 GLY 73 1HA GLY 73 25.169 -9.867 -8.762 501 HA3 GLY 73 2HA GLY 73 23.777 -10.092 -9.810 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -12.115 -18.587 1.684 2 HA2 GLY 1 1HA GLY 1 -13.858 -20.264 1.937 3 HA3 GLY 1 2HA GLY 1 -12.683 -21.473 1.442 4 H SER 2 H SER 2 -11.312 -22.360 2.937 5 HA SER 2 HA SER 2 -12.110 -22.118 5.681 6 HB2 SER 2 1HB SER 2 -11.453 -24.290 4.724 7 HB3 SER 2 2HB SER 2 -9.822 -23.677 4.452 8 HG SER 2 HG SER 2 -9.647 -23.398 6.725 9 H SER 3 H SER 3 -8.947 -21.720 4.075 10 HA SER 3 HA SER 3 -8.207 -19.835 6.215 11 HB2 SER 3 1HB SER 3 -6.444 -21.554 4.454 12 HB3 SER 3 2HB SER 3 -5.849 -20.378 5.625 13 HG SER 3 HG SER 3 -6.446 -21.654 7.242 14 H GLY 4 H GLY 4 -7.689 -20.464 2.743 15 HA2 GLY 4 1HA GLY 4 -8.360 -18.538 1.282 16 HA3 GLY 4 2HA GLY 4 -7.407 -17.545 2.375 17 H SER 5 H SER 5 -6.894 -17.489 -0.309 18 HA SER 5 HA SER 5 -4.901 -19.326 -1.138 19 HB2 SER 5 1HB SER 5 -6.153 -18.056 -2.783 20 HB3 SER 5 2HB SER 5 -5.550 -16.537 -2.121 21 HG SER 5 HG SER 5 -3.685 -18.441 -2.954 22 H SER 6 H SER 6 -2.852 -19.472 -0.535 23 HA SER 6 HA SER 6 -1.674 -17.733 1.339 24 HB2 SER 6 1HB SER 6 0.324 -19.056 1.080 25 HB3 SER 6 2HB SER 6 -1.060 -20.144 0.989 26 HG SER 6 HG SER 6 0.797 -19.480 -0.933 27 H GLY 7 H GLY 7 -0.147 -16.126 1.151 28 HA2 GLY 7 1HA GLY 7 1.528 -15.295 -0.697 29 HA3 GLY 7 2HA GLY 7 0.017 -14.889 -1.496 30 H VAL 8 H VAL 8 2.340 -13.310 -0.275 31 HA VAL 8 HA VAL 8 0.672 -11.215 0.820 32 HB VAL 8 HB VAL 8 1.297 -12.652 2.792 33 HG11 VAL 8 1HG1 VAL 8 3.596 -13.164 1.899 34 HG12 VAL 8 2HG1 VAL 8 4.062 -11.533 2.387 35 HG13 VAL 8 3HG1 VAL 8 3.527 -12.698 3.599 36 HG21 VAL 8 1HG2 VAL 8 2.154 -10.666 4.141 37 HG22 VAL 8 2HG2 VAL 8 2.127 -9.768 2.623 38 HG23 VAL 8 3HG2 VAL 8 0.635 -10.448 3.272 39 H CYS 9 H CYS 9 1.514 -9.204 0.495 40 HA CYS 9 HA CYS 9 4.303 -8.982 -0.375 41 HB2 CYS 9 1HB CYS 9 1.865 -8.243 -1.950 42 HB3 CYS 9 2HB CYS 9 3.334 -7.294 -2.139 43 HG CYS 9 HG CYS 9 4.835 -9.727 -2.732 44 H PHE 10 H PHE 10 5.160 -6.819 -0.262 45 HA PHE 10 HA PHE 10 3.567 -4.919 1.300 46 HB2 PHE 10 1HB PHE 10 6.336 -5.891 2.029 47 HB3 PHE 10 2HB PHE 10 5.559 -4.489 2.757 48 HD1 PHE 10 2HD PHE 10 4.981 -8.118 2.151 49 HD2 PHE 10 1HD PHE 10 4.334 -4.762 4.687 50 HE1 PHE 10 2HE PHE 10 3.904 -9.583 3.808 51 HE2 PHE 10 1HE PHE 10 3.256 -6.222 6.349 52 HZ PHE 10 HZ PHE 10 3.039 -8.635 5.910 53 H VAL 11 H VAL 11 4.128 -2.754 1.032 54 HA VAL 11 HA VAL 11 6.199 -2.187 -0.982 55 HB VAL 11 HB VAL 11 4.769 -0.499 -2.014 56 HG11 VAL 11 1HG1 VAL 11 4.756 -2.721 -2.973 57 HG12 VAL 11 2HG1 VAL 11 3.485 -3.224 -1.857 58 HG13 VAL 11 3HG1 VAL 11 3.147 -2.010 -3.092 59 HG21 VAL 11 1HG2 VAL 11 2.198 -1.152 -1.135 60 HG22 VAL 11 2HG2 VAL 11 3.161 -0.965 0.331 61 HG23 VAL 11 3HG2 VAL 11 3.077 0.349 -0.843 62 H LYS 12 H LYS 12 7.318 -0.273 -0.738 63 HA LYS 12 HA LYS 12 6.962 1.049 1.858 64 HB2 LYS 12 1HB LYS 12 9.168 0.064 1.432 65 HB3 LYS 12 2HB LYS 12 9.332 1.042 -0.020 66 HG2 LYS 12 1HG LYS 12 8.832 2.439 2.551 67 HG3 LYS 12 2HG LYS 12 10.432 1.749 2.269 68 HD2 LYS 12 1HD LYS 12 9.196 3.383 0.110 69 HD3 LYS 12 2HD LYS 12 9.838 4.216 1.527 70 HE2 LYS 12 1HE LYS 12 11.971 2.896 1.157 71 HE3 LYS 12 2HE LYS 12 11.301 2.434 -0.406 72 HZ1 LYS 12 1HZ LYS 12 12.545 4.871 0.365 73 HZ2 LYS 12 2HZ LYS 12 11.003 5.161 -0.266 74 HZ3 LYS 12 3HZ LYS 12 12.147 4.315 -1.183 75 H ALA 13 H ALA 13 6.307 3.101 1.995 76 HA ALA 13 HA ALA 13 5.466 4.505 -0.341 77 HB1 ALA 13 1HB ALA 13 4.078 5.057 1.364 78 HB2 ALA 13 2HB ALA 13 5.351 4.956 2.582 79 HB3 ALA 13 3HB ALA 13 5.233 6.378 1.546 80 H LEU 14 H LEU 14 6.911 5.387 -1.678 81 HA LEU 14 HA LEU 14 9.509 6.201 -0.950 82 HB2 LEU 14 1HB LEU 14 7.858 6.997 -3.343 83 HB3 LEU 14 2HB LEU 14 9.596 7.234 -3.175 84 HG LEU 14 HG LEU 14 8.468 4.474 -2.996 85 HD11 LEU 14 1HD1 LEU 14 8.860 4.312 -5.481 86 HD12 LEU 14 2HD1 LEU 14 8.865 6.075 -5.510 87 HD13 LEU 14 3HD1 LEU 14 7.423 5.207 -4.987 88 HD21 LEU 14 1HD2 LEU 14 10.603 3.838 -3.215 89 HD22 LEU 14 2HD2 LEU 14 10.986 5.505 -2.781 90 HD23 LEU 14 3HD2 LEU 14 10.929 5.026 -4.478 91 H TYR 15 H TYR 15 6.447 7.863 -1.015 92 HA TYR 15 HA TYR 15 7.739 10.199 0.193 93 HB2 TYR 15 1HB TYR 15 5.599 10.496 -1.913 94 HB3 TYR 15 2HB TYR 15 6.593 11.759 -1.196 95 HD1 TYR 15 2HD TYR 15 8.937 12.028 -1.867 96 HD2 TYR 15 1HD TYR 15 6.437 9.114 -3.701 97 HE1 TYR 15 2HE TYR 15 10.557 11.803 -3.704 98 HE2 TYR 15 1HE TYR 15 8.051 8.880 -5.542 99 HH TYR 15 HH TYR 15 10.124 10.859 -6.434 100 H ASP 16 H ASP 16 6.368 11.459 1.530 101 HA ASP 16 HA ASP 16 4.503 9.967 3.025 102 HB2 ASP 16 1HB ASP 16 4.019 12.125 4.164 103 HB3 ASP 16 2HB ASP 16 5.742 11.774 4.055 104 H TYR 17 H TYR 17 2.390 9.636 2.774 105 HA TYR 17 HA TYR 17 1.001 11.144 0.668 106 HB2 TYR 17 1HB TYR 17 1.042 8.767 0.245 107 HB3 TYR 17 2HB TYR 17 0.435 8.425 1.861 108 HD1 TYR 17 1HD TYR 17 -1.903 9.464 2.429 109 HD2 TYR 17 2HD TYR 17 -0.450 8.860 -1.524 110 HE1 TYR 17 1HE TYR 17 -4.210 9.521 1.579 111 HE2 TYR 17 2HE TYR 17 -2.754 8.917 -2.386 112 HH TYR 17 HH TYR 17 -5.329 8.404 -0.780 113 H GLU 18 H GLU 18 -0.477 12.583 1.244 114 HA GLU 18 HA GLU 18 -1.529 12.503 3.984 115 HB2 GLU 18 1HB GLU 18 -0.334 14.563 2.842 116 HB3 GLU 18 2HB GLU 18 -1.934 14.841 2.169 117 HG2 GLU 18 1HG GLU 18 -1.650 14.400 5.099 118 HG3 GLU 18 2HG GLU 18 -1.210 15.962 4.412 119 H GLY 19 H GLY 19 -3.339 11.297 4.012 120 HA2 GLY 19 1HA GLY 19 -5.194 11.256 1.814 121 HA3 GLY 19 2HA GLY 19 -5.388 10.444 3.360 122 H GLN 20 H GLN 20 -7.043 12.353 1.546 123 HA GLN 20 HA GLN 20 -7.592 14.552 3.340 124 HB2 GLN 20 1HB GLN 20 -9.032 13.694 0.824 125 HB3 GLN 20 2HB GLN 20 -9.267 15.213 1.678 126 HG2 GLN 20 1HG GLN 20 -6.677 15.450 1.272 127 HG3 GLN 20 2HG GLN 20 -7.018 14.332 -0.047 128 HE21 GLN 20 1HE2 GLN 20 -7.986 17.421 1.352 129 HE22 GLN 20 2HE2 GLN 20 -8.475 18.148 -0.137 130 H THR 21 H THR 21 -9.103 11.517 2.390 131 HA THR 21 HA THR 21 -11.093 11.917 4.529 132 HB THR 21 HB THR 21 -12.607 10.420 3.275 133 HG1 THR 21 1HG THR 21 -10.382 10.296 1.593 134 HG21 THR 21 1HG2 THR 21 -11.623 12.949 1.996 135 HG22 THR 21 2HG2 THR 21 -13.104 12.670 2.914 136 HG23 THR 21 3HG2 THR 21 -12.944 12.027 1.280 137 H ASP 22 H ASP 22 -11.712 10.062 5.741 138 HA ASP 22 HA ASP 22 -9.684 8.474 6.682 139 HB2 ASP 22 1HB ASP 22 -12.650 7.892 6.608 140 HB3 ASP 22 2HB ASP 22 -11.489 6.966 7.555 141 H ASP 23 H ASP 23 -11.993 7.718 4.107 142 HA ASP 23 HA ASP 23 -11.473 5.090 3.608 143 HB2 ASP 23 1HB ASP 23 -12.010 7.372 1.722 144 HB3 ASP 23 2HB ASP 23 -11.803 5.727 1.128 145 H GLU 24 H GLU 24 -9.383 7.812 2.996 146 HA GLU 24 HA GLU 24 -7.522 6.269 1.404 147 HB2 GLU 24 1HB GLU 24 -7.411 9.080 2.503 148 HB3 GLU 24 2HB GLU 24 -6.135 8.361 1.531 149 HG2 GLU 24 1HG GLU 24 -7.444 8.317 -0.385 150 HG3 GLU 24 2HG GLU 24 -8.947 8.468 0.523 151 H LEU 25 H LEU 25 -5.105 6.567 2.098 152 HA LEU 25 HA LEU 25 -4.887 5.854 4.949 153 HB2 LEU 25 1HB LEU 25 -4.539 4.070 3.039 154 HB3 LEU 25 2HB LEU 25 -2.941 4.810 2.953 155 HG LEU 25 HG LEU 25 -2.775 4.322 5.458 156 HD11 LEU 25 1HD1 LEU 25 -5.260 3.846 5.622 157 HD12 LEU 25 2HD1 LEU 25 -4.182 2.691 6.403 158 HD13 LEU 25 3HD1 LEU 25 -4.912 2.301 4.846 159 HD21 LEU 25 1HD2 LEU 25 -1.539 3.107 3.719 160 HD22 LEU 25 2HD2 LEU 25 -2.903 2.005 3.530 161 HD23 LEU 25 3HD2 LEU 25 -2.012 2.053 5.052 162 H SER 26 H SER 26 -3.440 6.951 6.125 163 HA SER 26 HA SER 26 -1.627 8.778 4.693 164 HB2 SER 26 1HB SER 26 -2.788 9.035 7.478 165 HB3 SER 26 2HB SER 26 -1.690 10.187 6.718 166 HG SER 26 HG SER 26 -3.594 11.032 6.214 167 H PHE 27 H PHE 27 0.418 8.148 4.702 168 HA PHE 27 HA PHE 27 1.522 6.964 7.153 169 HB2 PHE 27 1HB PHE 27 2.992 5.635 5.365 170 HB3 PHE 27 2HB PHE 27 1.463 5.006 5.971 171 HD1 PHE 27 2HD PHE 27 2.947 6.951 3.181 172 HD2 PHE 27 1HD PHE 27 -0.267 4.495 4.506 173 HE1 PHE 27 2HE PHE 27 2.085 6.842 0.879 174 HE2 PHE 27 1HE PHE 27 -1.133 4.381 2.206 175 HZ PHE 27 HZ PHE 27 0.043 5.556 0.389 176 HA PRO 28 HA PRO 28 4.696 9.968 6.650 177 HB2 PRO 28 1HB PRO 28 6.661 8.778 8.098 178 HB3 PRO 28 2HB PRO 28 5.246 9.535 8.839 179 HG2 PRO 28 1HG PRO 28 5.768 6.642 8.273 180 HG3 PRO 28 2HG PRO 28 5.066 7.391 9.719 181 HD2 PRO 28 1HD PRO 28 3.553 6.207 7.811 182 HD3 PRO 28 2HD PRO 28 2.983 7.599 8.755 183 H GLU 29 H GLU 29 6.875 10.255 5.805 184 HA GLU 29 HA GLU 29 7.322 8.835 3.425 185 HB2 GLU 29 1HB GLU 29 8.093 11.146 3.807 186 HB3 GLU 29 2HB GLU 29 9.263 10.556 4.979 187 HG2 GLU 29 1HG GLU 29 10.159 9.118 3.046 188 HG3 GLU 29 2HG GLU 29 9.239 10.207 2.009 189 H GLY 30 H GLY 30 7.910 6.771 3.301 190 HA2 GLY 30 1HA GLY 30 9.618 5.120 3.410 191 HA3 GLY 30 2HA GLY 30 10.233 5.893 4.864 192 H ALA 31 H ALA 31 6.847 5.150 4.335 193 HA ALA 31 HA ALA 31 6.943 3.362 6.655 194 HB1 ALA 31 1HB ALA 31 5.139 5.367 5.826 195 HB2 ALA 31 2HB ALA 31 4.278 3.829 5.749 196 HB3 ALA 31 3HB ALA 31 5.043 4.336 7.254 197 H ILE 32 H ILE 32 6.302 1.254 6.583 198 HA ILE 32 HA ILE 32 6.035 0.086 3.917 199 HB ILE 32 HB ILE 32 6.403 -1.332 6.556 200 HG12 ILE 32 1HG1 ILE 32 8.328 0.079 6.146 201 HG13 ILE 32 2HG1 ILE 32 8.769 -1.594 5.821 202 HG21 ILE 32 1HG2 ILE 32 7.117 -3.215 5.125 203 HG22 ILE 32 2HG2 ILE 32 5.435 -2.757 4.868 204 HG23 ILE 32 3HG2 ILE 32 6.669 -2.272 3.705 205 HD11 ILE 32 1HD1 ILE 32 9.705 -0.152 4.140 206 HD12 ILE 32 2HD1 ILE 32 8.462 -1.172 3.417 207 HD13 ILE 32 3HD1 ILE 32 8.114 0.518 3.781 208 H ILE 33 H ILE 33 4.181 -0.705 3.158 209 HA ILE 33 HA ILE 33 1.909 -0.926 5.019 210 HB ILE 33 HB ILE 33 1.859 -0.481 2.031 211 HG12 ILE 33 1HG1 ILE 33 0.826 1.492 4.018 212 HG13 ILE 33 2HG1 ILE 33 2.566 1.390 3.777 213 HG21 ILE 33 1HG2 ILE 33 -0.576 -0.030 2.463 214 HG22 ILE 33 2HG2 ILE 33 -0.078 -1.711 2.640 215 HG23 ILE 33 3HG2 ILE 33 -0.341 -0.715 4.071 216 HD11 ILE 33 1HD1 ILE 33 0.722 1.689 1.446 217 HD12 ILE 33 2HD1 ILE 33 1.214 3.086 2.403 218 HD13 ILE 33 3HD1 ILE 33 2.430 2.108 1.582 219 H ARG 34 H ARG 34 0.546 -2.712 4.924 220 HA ARG 34 HA ARG 34 1.754 -5.084 3.701 221 HB2 ARG 34 1HB ARG 34 1.290 -5.155 6.122 222 HB3 ARG 34 2HB ARG 34 -0.415 -4.873 5.797 223 HG2 ARG 34 1HG ARG 34 -0.513 -6.992 4.559 224 HG3 ARG 34 2HG ARG 34 1.185 -7.277 4.946 225 HD2 ARG 34 1HD ARG 34 -0.941 -6.848 7.034 226 HD3 ARG 34 2HD ARG 34 -0.489 -8.441 6.428 227 HE ARG 34 HE ARG 34 1.703 -6.845 7.429 228 HH11 ARG 34 2HH1 ARG 34 -0.734 -9.222 8.158 229 HH12 ARG 34 1HH1 ARG 34 0.102 -9.846 9.541 230 HH21 ARG 34 2HH2 ARG 34 2.813 -7.657 9.248 231 HH22 ARG 34 1HH2 ARG 34 2.120 -8.954 10.161 232 H ILE 35 H ILE 35 1.053 -5.111 1.614 233 HA ILE 35 HA ILE 35 -1.383 -4.325 0.598 234 HB ILE 35 HB ILE 35 0.330 -6.620 -0.361 235 HG12 ILE 35 1HG1 ILE 35 1.556 -4.515 -0.276 236 HG13 ILE 35 2HG1 ILE 35 1.224 -4.947 -1.950 237 HG21 ILE 35 1HG2 ILE 35 -2.224 -5.658 -1.255 238 HG22 ILE 35 2HG2 ILE 35 -1.007 -5.417 -2.508 239 HG23 ILE 35 3HG2 ILE 35 -1.277 -7.026 -1.839 240 HD11 ILE 35 1HD1 ILE 35 0.358 -2.938 -2.241 241 HD12 ILE 35 2HD1 ILE 35 -0.925 -3.355 -1.104 242 HD13 ILE 35 3HD1 ILE 35 0.545 -2.570 -0.527 243 H LEU 36 H LEU 36 -3.228 -4.879 1.638 244 HA LEU 36 HA LEU 36 -3.717 -7.577 2.528 245 HB2 LEU 36 1HB LEU 36 -5.515 -5.160 2.424 246 HB3 LEU 36 2HB LEU 36 -5.932 -6.697 3.178 247 HG LEU 36 HG LEU 36 -3.530 -5.156 4.090 248 HD11 LEU 36 1HD1 LEU 36 -6.106 -4.095 4.120 249 HD12 LEU 36 2HD1 LEU 36 -4.718 -3.554 5.063 250 HD13 LEU 36 3HD1 LEU 36 -5.845 -4.723 5.748 251 HD21 LEU 36 1HD2 LEU 36 -5.383 -7.182 5.326 252 HD22 LEU 36 2HD2 LEU 36 -4.169 -6.286 6.238 253 HD23 LEU 36 3HD2 LEU 36 -3.672 -7.373 4.940 254 H ASN 37 H ASN 37 -5.164 -5.412 0.097 255 HA ASN 37 HA ASN 37 -5.828 -7.754 -1.519 256 HB2 ASN 37 1HB ASN 37 -7.917 -5.627 -1.167 257 HB3 ASN 37 2HB ASN 37 -8.106 -7.287 -1.725 258 HD21 ASN 37 1HD2 ASN 37 -8.836 -8.719 -0.324 259 HD22 ASN 37 2HD2 ASN 37 -8.886 -8.522 1.391 260 H LYS 38 H LYS 38 -5.476 -7.434 -3.632 261 HA LYS 38 HA LYS 38 -5.263 -4.671 -4.618 262 HB2 LYS 38 1HB LYS 38 -3.277 -5.230 -5.887 263 HB3 LYS 38 2HB LYS 38 -3.002 -5.583 -4.186 264 HG2 LYS 38 1HG LYS 38 -2.963 -7.850 -4.518 265 HG3 LYS 38 2HG LYS 38 -3.960 -7.764 -5.972 266 HD2 LYS 38 1HD LYS 38 -1.789 -8.306 -6.719 267 HD3 LYS 38 2HD LYS 38 -1.997 -6.589 -7.072 268 HE2 LYS 38 1HE LYS 38 -0.544 -5.935 -5.406 269 HE3 LYS 38 2HE LYS 38 -0.781 -7.413 -4.474 270 HZ1 LYS 38 1HZ LYS 38 0.370 -7.918 -7.042 271 HZ2 LYS 38 2HZ LYS 38 0.906 -8.393 -5.510 272 HZ3 LYS 38 3HZ LYS 38 1.325 -6.871 -6.118 273 H GLU 39 H GLU 39 -7.430 -6.582 -4.834 274 HA GLU 39 HA GLU 39 -7.380 -7.709 -7.469 275 HB2 GLU 39 1HB GLU 39 -9.836 -8.090 -7.027 276 HB3 GLU 39 2HB GLU 39 -8.736 -8.826 -5.869 277 HG2 GLU 39 1HG GLU 39 -9.177 -7.099 -4.265 278 HG3 GLU 39 2HG GLU 39 -10.144 -6.204 -5.435 279 H ASN 40 H ASN 40 -6.749 -5.692 -8.561 280 HA ASN 40 HA ASN 40 -8.536 -3.485 -8.702 281 HB2 ASN 40 1HB ASN 40 -6.255 -3.066 -9.234 282 HB3 ASN 40 2HB ASN 40 -6.220 -4.363 -10.424 283 HD21 ASN 40 1HD2 ASN 40 -7.755 -1.264 -9.709 284 HD22 ASN 40 2HD2 ASN 40 -7.917 -0.764 -11.355 285 H GLN 41 H GLN 41 -10.573 -3.917 -9.353 286 HA GLN 41 HA GLN 41 -10.901 -5.265 -11.953 287 HB2 GLN 41 1HB GLN 41 -12.447 -5.451 -9.416 288 HB3 GLN 41 2HB GLN 41 -13.343 -5.553 -10.926 289 HG2 GLN 41 1HG GLN 41 -11.492 -7.318 -11.526 290 HG3 GLN 41 2HG GLN 41 -11.346 -7.426 -9.772 291 HE21 GLN 41 1HE2 GLN 41 -12.191 -9.517 -11.460 292 HE22 GLN 41 2HE2 GLN 41 -13.828 -9.898 -11.061 293 H ASP 42 H ASP 42 -12.615 -2.990 -9.803 294 HA ASP 42 HA ASP 42 -13.591 -1.580 -12.186 295 HB2 ASP 42 1HB ASP 42 -14.592 -1.882 -9.393 296 HB3 ASP 42 2HB ASP 42 -14.986 -0.400 -10.259 297 H ASP 43 H ASP 43 -12.259 -0.871 -8.958 298 HA ASP 43 HA ASP 43 -11.893 1.806 -9.059 299 HB2 ASP 43 1HB ASP 43 -9.717 1.396 -7.777 300 HB3 ASP 43 2HB ASP 43 -11.186 0.698 -7.099 301 H ASP 44 H ASP 44 -10.144 3.207 -9.658 302 HA ASP 44 HA ASP 44 -9.284 2.865 -12.311 303 HB2 ASP 44 1HB ASP 44 -8.272 4.755 -10.177 304 HB3 ASP 44 2HB ASP 44 -7.880 4.874 -11.890 305 H GLY 45 H GLY 45 -7.380 2.809 -9.291 306 HA2 GLY 45 1HA GLY 45 -5.818 0.595 -10.012 307 HA3 GLY 45 2HA GLY 45 -4.954 2.048 -10.494 308 H PHE 46 H PHE 46 -7.007 1.488 -7.656 309 HA PHE 46 HA PHE 46 -4.712 2.232 -5.975 310 HB2 PHE 46 1HB PHE 46 -7.681 2.567 -5.626 311 HB3 PHE 46 2HB PHE 46 -6.591 2.643 -4.245 312 HD1 PHE 46 2HD PHE 46 -6.770 4.043 -7.704 313 HD2 PHE 46 1HD PHE 46 -5.968 4.740 -3.582 314 HE1 PHE 46 2HE PHE 46 -6.324 6.412 -8.194 315 HE2 PHE 46 1HE PHE 46 -5.521 7.110 -4.066 316 HZ PHE 46 HZ PHE 46 -5.698 7.949 -6.374 317 H TRP 47 H TRP 47 -4.318 1.095 -4.032 318 HA TRP 47 HA TRP 47 -5.421 -1.637 -4.024 319 HB2 TRP 47 1HB TRP 47 -2.699 -0.603 -3.232 320 HB3 TRP 47 2HB TRP 47 -3.271 -2.208 -2.786 321 HD1 TRP 47 HD TRP 47 -4.762 -2.366 -5.849 322 HE1 TRP 47 1HE TRP 47 -3.231 -3.132 -7.772 323 HE3 TRP 47 3HE TRP 47 -0.221 -1.460 -3.682 324 HZ2 TRP 47 2HZ TRP 47 -0.465 -3.326 -8.299 325 HZ3 TRP 47 3HZ TRP 47 1.819 -1.964 -4.962 326 HH2 TRP 47 HH TRP 47 1.697 -2.878 -7.223 327 H GLU 48 H GLU 48 -5.053 -2.659 -1.719 328 HA GLU 48 HA GLU 48 -6.009 -0.717 0.281 329 HB2 GLU 48 1HB GLU 48 -7.709 -2.411 -0.666 330 HB3 GLU 48 2HB GLU 48 -6.827 -3.611 0.266 331 HG2 GLU 48 1HG GLU 48 -7.420 -2.642 2.303 332 HG3 GLU 48 2HG GLU 48 -7.889 -1.121 1.544 333 H GLY 49 H GLY 49 -4.943 -0.663 2.164 334 HA2 GLY 49 1HA GLY 49 -3.402 -2.985 3.035 335 HA3 GLY 49 2HA GLY 49 -2.497 -1.516 2.704 336 H GLU 50 H GLU 50 -2.477 -2.711 5.205 337 HA GLU 50 HA GLU 50 -4.061 -0.811 6.807 338 HB2 GLU 50 1HB GLU 50 -4.754 -3.148 7.151 339 HB3 GLU 50 2HB GLU 50 -3.106 -3.568 7.598 340 HG2 GLU 50 1HG GLU 50 -3.340 -1.842 9.451 341 HG3 GLU 50 2HG GLU 50 -5.066 -1.864 9.094 342 H PHE 51 H PHE 51 -2.956 0.606 7.984 343 HA PHE 51 HA PHE 51 -0.266 -0.046 8.909 344 HB2 PHE 51 1HB PHE 51 0.169 1.060 6.805 345 HB3 PHE 51 2HB PHE 51 -0.929 2.372 7.221 346 HD1 PHE 51 2HD PHE 51 2.123 0.687 8.547 347 HD2 PHE 51 1HD PHE 51 -0.026 4.324 8.020 348 HE1 PHE 51 2HE PHE 51 3.999 1.935 9.536 349 HE2 PHE 51 1HE PHE 51 1.847 5.577 9.007 350 HZ PHE 51 HZ PHE 51 3.863 4.383 9.768 351 H ASN 52 H ASN 52 0.485 1.316 10.626 352 HA ASN 52 HA ASN 52 0.133 2.219 12.697 353 HB2 ASN 52 1HB ASN 52 -0.627 4.479 12.664 354 HB3 ASN 52 2HB ASN 52 0.182 4.203 11.124 355 HD21 ASN 52 1HD2 ASN 52 -2.825 4.802 12.716 356 HD22 ASN 52 2HD2 ASN 52 -3.761 5.093 11.293 357 H GLY 53 H GLY 53 -1.876 0.230 11.725 358 HA2 GLY 53 1HA GLY 53 -3.703 -0.782 12.704 359 HA3 GLY 53 2HA GLY 53 -3.698 0.491 13.916 360 H ARG 54 H ARG 54 -3.917 1.027 10.449 361 HA ARG 54 HA ARG 54 -6.768 1.647 10.706 362 HB2 ARG 54 1HB ARG 54 -6.603 3.833 10.023 363 HB3 ARG 54 2HB ARG 54 -5.111 3.686 10.941 364 HG2 ARG 54 1HG ARG 54 -3.850 3.352 8.904 365 HG3 ARG 54 2HG ARG 54 -5.337 3.389 7.953 366 HD2 ARG 54 1HD ARG 54 -4.746 5.698 9.730 367 HD3 ARG 54 2HD ARG 54 -3.808 5.530 8.246 368 HE ARG 54 HE ARG 54 -6.585 5.264 7.730 369 HH11 ARG 54 2HH1 ARG 54 -4.116 7.618 8.426 370 HH12 ARG 54 1HH1 ARG 54 -4.938 8.912 7.618 371 HH21 ARG 54 2HH2 ARG 54 -7.678 6.960 6.664 372 HH22 ARG 54 1HH2 ARG 54 -6.965 8.536 6.618 373 H ILE 55 H ILE 55 -7.893 1.761 8.669 374 HA ILE 55 HA ILE 55 -6.478 0.353 6.499 375 HB ILE 55 HB ILE 55 -9.389 0.100 7.263 376 HG12 ILE 55 1HG1 ILE 55 -7.215 -1.996 7.343 377 HG13 ILE 55 2HG1 ILE 55 -7.706 -1.054 8.746 378 HG21 ILE 55 1HG2 ILE 55 -8.228 -0.211 4.762 379 HG22 ILE 55 2HG2 ILE 55 -8.367 -1.852 5.390 380 HG23 ILE 55 3HG2 ILE 55 -9.797 -0.826 5.281 381 HD11 ILE 55 1HD1 ILE 55 -8.702 -3.360 8.522 382 HD12 ILE 55 2HD1 ILE 55 -9.841 -2.038 8.779 383 HD13 ILE 55 3HD1 ILE 55 -9.634 -2.723 7.167 384 H GLY 56 H GLY 56 -6.652 1.145 4.463 385 HA2 GLY 56 1HA GLY 56 -8.712 3.031 3.739 386 HA3 GLY 56 2HA GLY 56 -7.121 3.759 3.906 387 H VAL 57 H VAL 57 -6.951 4.296 1.735 388 HA VAL 57 HA VAL 57 -6.187 2.076 0.011 389 HB VAL 57 HB VAL 57 -7.510 2.948 -1.893 390 HG11 VAL 57 1HG1 VAL 57 -9.351 2.281 0.387 391 HG12 VAL 57 2HG1 VAL 57 -9.512 1.855 -1.318 392 HG13 VAL 57 3HG1 VAL 57 -8.268 1.088 -0.330 393 HG21 VAL 57 1HG2 VAL 57 -8.050 5.140 -1.517 394 HG22 VAL 57 2HG2 VAL 57 -9.562 4.368 -1.039 395 HG23 VAL 57 3HG2 VAL 57 -8.404 4.876 0.190 396 H PHE 58 H PHE 58 -4.813 2.668 -1.701 397 HA PHE 58 HA PHE 58 -3.948 5.468 -1.784 398 HB2 PHE 58 1HB PHE 58 -1.547 4.397 -2.023 399 HB3 PHE 58 2HB PHE 58 -2.234 4.722 -0.435 400 HD1 PHE 58 2HD PHE 58 -3.756 2.686 0.455 401 HD2 PHE 58 1HD PHE 58 -0.528 2.371 -2.302 402 HE1 PHE 58 2HE PHE 58 -3.472 0.319 1.063 403 HE2 PHE 58 1HE PHE 58 -0.240 0.003 -1.700 404 HZ PHE 58 HZ PHE 58 -1.712 -1.026 -0.014 405 HA PRO 59 HA PRO 59 -3.798 4.985 -6.141 406 HB2 PRO 59 1HB PRO 59 -1.668 6.525 -6.818 407 HB3 PRO 59 2HB PRO 59 -3.205 7.201 -6.266 408 HG2 PRO 59 1HG PRO 59 -0.676 6.746 -4.730 409 HG3 PRO 59 2HG PRO 59 -1.763 8.147 -4.706 410 HD2 PRO 59 1HD PRO 59 -1.804 6.237 -2.786 411 HD3 PRO 59 2HD PRO 59 -3.262 7.118 -3.289 412 H SER 60 H SER 60 -1.385 3.728 -4.175 413 HA SER 60 HA SER 60 0.286 2.206 -4.459 414 HB2 SER 60 1HB SER 60 -1.514 0.802 -5.280 415 HB3 SER 60 2HB SER 60 -1.397 1.528 -6.883 416 HG SER 60 HG SER 60 0.346 0.376 -7.298 417 H VAL 61 H VAL 61 0.564 4.881 -5.686 418 HA VAL 61 HA VAL 61 2.521 4.216 -7.789 419 HB VAL 61 HB VAL 61 2.174 6.360 -8.784 420 HG11 VAL 61 1HG1 VAL 61 0.170 4.415 -8.596 421 HG12 VAL 61 2HG1 VAL 61 -0.656 5.969 -8.464 422 HG13 VAL 61 3HG1 VAL 61 0.371 5.630 -9.858 423 HG21 VAL 61 1HG2 VAL 61 0.455 7.931 -7.842 424 HG22 VAL 61 2HG2 VAL 61 0.450 6.941 -6.383 425 HG23 VAL 61 3HG2 VAL 61 1.925 7.770 -6.881 426 H LEU 62 H LEU 62 1.908 5.951 -4.825 427 HA LEU 62 HA LEU 62 4.504 7.238 -4.832 428 HB2 LEU 62 1HB LEU 62 2.389 7.102 -2.689 429 HB3 LEU 62 2HB LEU 62 3.831 8.115 -2.647 430 HG LEU 62 HG LEU 62 1.598 8.375 -4.660 431 HD11 LEU 62 1HD1 LEU 62 1.524 9.071 -1.993 432 HD12 LEU 62 2HD1 LEU 62 0.515 9.740 -3.275 433 HD13 LEU 62 3HD1 LEU 62 1.998 10.566 -2.799 434 HD21 LEU 62 1HD2 LEU 62 4.274 9.458 -4.492 435 HD22 LEU 62 2HD2 LEU 62 3.057 10.735 -4.487 436 HD23 LEU 62 3HD2 LEU 62 3.097 9.559 -5.802 437 H VAL 63 H VAL 63 3.773 4.175 -4.513 438 HA VAL 63 HA VAL 63 5.639 3.712 -2.277 439 HB VAL 63 HB VAL 63 4.565 1.545 -1.916 440 HG11 VAL 63 1HG1 VAL 63 2.954 4.051 -1.773 441 HG12 VAL 63 2HG1 VAL 63 2.215 2.519 -1.305 442 HG13 VAL 63 3HG1 VAL 63 3.661 3.092 -0.474 443 HG21 VAL 63 1HG2 VAL 63 3.101 2.322 -4.366 444 HG22 VAL 63 2HG2 VAL 63 3.621 0.731 -3.812 445 HG23 VAL 63 3HG2 VAL 63 2.179 1.476 -3.123 446 H GLU 64 H GLU 64 6.842 1.615 -2.463 447 HA GLU 64 HA GLU 64 7.389 0.877 -5.252 448 HB2 GLU 64 1HB GLU 64 9.137 2.416 -4.751 449 HB3 GLU 64 2HB GLU 64 9.405 1.701 -3.168 450 HG2 GLU 64 1HG GLU 64 11.186 1.007 -4.554 451 HG3 GLU 64 2HG GLU 64 10.133 -0.390 -4.333 452 H GLU 65 H GLU 65 7.650 -1.255 -5.593 453 HA GLU 65 HA GLU 65 6.899 -3.128 -3.668 454 HB2 GLU 65 1HB GLU 65 8.388 -3.431 -6.272 455 HB3 GLU 65 2HB GLU 65 7.914 -4.809 -5.289 456 HG2 GLU 65 1HG GLU 65 5.575 -4.171 -5.498 457 HG3 GLU 65 2HG GLU 65 6.037 -2.766 -6.457 458 H LEU 66 H LEU 66 8.051 -4.666 -2.480 459 HA LEU 66 HA LEU 66 10.933 -4.146 -2.180 460 HB2 LEU 66 1HB LEU 66 9.143 -4.923 0.101 461 HB3 LEU 66 2HB LEU 66 10.796 -4.314 0.167 462 HG LEU 66 HG LEU 66 8.669 -2.542 -0.935 463 HD11 LEU 66 1HD1 LEU 66 9.141 -2.572 2.007 464 HD12 LEU 66 2HD1 LEU 66 7.974 -3.694 1.308 465 HD13 LEU 66 3HD1 LEU 66 7.765 -1.957 1.091 466 HD21 LEU 66 1HD2 LEU 66 10.981 -1.921 0.884 467 HD22 LEU 66 2HD2 LEU 66 10.068 -0.814 -0.142 468 HD23 LEU 66 3HD2 LEU 66 11.143 -2.009 -0.870 469 H SER 67 H SER 67 10.379 -6.045 -3.881 470 HA SER 67 HA SER 67 10.182 -8.608 -2.500 471 HB2 SER 67 1HB SER 67 9.991 -9.590 -4.719 472 HB3 SER 67 2HB SER 67 8.879 -8.228 -4.583 473 HG SER 67 HG SER 67 9.846 -7.748 -6.423 474 H SER 68 H SER 68 12.409 -7.557 -1.624 475 HA SER 68 HA SER 68 14.653 -7.856 -1.397 476 HB2 SER 68 1HB SER 68 13.764 -10.292 -1.805 477 HB3 SER 68 2HB SER 68 14.588 -10.126 -3.355 478 HG SER 68 HG SER 68 15.754 -9.808 -0.785 479 H GLY 69 H GLY 69 13.836 -5.977 -3.299 480 HA2 GLY 69 1HA GLY 69 14.818 -4.636 -4.890 481 HA3 GLY 69 2HA GLY 69 16.244 -5.656 -4.779 482 HA PRO 70 HA PRO 70 13.525 -6.445 -8.679 483 HB2 PRO 70 1HB PRO 70 14.537 -4.618 -10.414 484 HB3 PRO 70 2HB PRO 70 13.125 -4.300 -9.399 485 HG2 PRO 70 1HG PRO 70 15.976 -3.489 -8.985 486 HG3 PRO 70 2HG PRO 70 14.497 -2.540 -8.747 487 HD2 PRO 70 1HD PRO 70 15.831 -3.699 -6.695 488 HD3 PRO 70 2HD PRO 70 14.068 -3.491 -6.691 489 H SER 71 H SER 71 14.404 -8.223 -9.518 490 HA SER 71 HA SER 71 17.128 -8.072 -10.606 491 HB2 SER 71 1HB SER 71 17.326 -9.204 -8.459 492 HB3 SER 71 2HB SER 71 16.029 -10.316 -8.896 493 HG SER 71 HG SER 71 18.362 -10.969 -9.199 494 H SER 72 H SER 72 17.571 -9.552 -12.316 495 HA SER 72 HA SER 72 15.179 -10.213 -13.848 496 HB2 SER 72 1HB SER 72 16.937 -8.949 -14.988 497 HB3 SER 72 2HB SER 72 18.103 -10.226 -14.640 498 HG SER 72 HG SER 72 17.326 -10.503 -16.722 499 H GLY 73 H GLY 73 14.961 -12.274 -14.921 500 HA2 GLY 73 1HA GLY 73 16.336 -14.462 -13.487 501 HA3 GLY 73 2HA GLY 73 14.618 -14.514 -13.853 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -7.394 -32.926 4.765 2 HA2 GLY 1 1HA GLY 1 -8.774 -32.755 7.005 3 HA3 GLY 1 2HA GLY 1 -7.192 -32.289 7.612 4 H SER 2 H SER 2 -6.193 -30.373 6.734 5 HA SER 2 HA SER 2 -8.067 -28.529 5.421 6 HB2 SER 2 1HB SER 2 -8.144 -27.995 7.794 7 HB3 SER 2 2HB SER 2 -6.384 -27.911 7.861 8 HG SER 2 HG SER 2 -6.545 -25.920 7.248 9 H SER 3 H SER 3 -7.156 -27.046 4.032 10 HA SER 3 HA SER 3 -4.265 -26.856 3.817 11 HB2 SER 3 1HB SER 3 -5.949 -27.843 1.502 12 HB3 SER 3 2HB SER 3 -4.222 -27.488 1.447 13 HG SER 3 HG SER 3 -3.993 -29.490 2.025 14 H GLY 4 H GLY 4 -3.611 -25.230 2.163 15 HA2 GLY 4 1HA GLY 4 -5.414 -23.480 0.925 16 HA3 GLY 4 2HA GLY 4 -5.046 -22.833 2.517 17 H SER 5 H SER 5 -4.407 -21.337 0.362 18 HA SER 5 HA SER 5 -1.526 -21.191 0.589 19 HB2 SER 5 1HB SER 5 -2.851 -21.586 -2.105 20 HB3 SER 5 2HB SER 5 -1.161 -21.143 -1.865 21 HG SER 5 HG SER 5 -0.840 -23.213 -1.768 22 H SER 6 H SER 6 -1.431 -19.155 1.308 23 HA SER 6 HA SER 6 -2.640 -17.061 -0.365 24 HB2 SER 6 1HB SER 6 -4.063 -17.310 1.604 25 HB3 SER 6 2HB SER 6 -2.661 -17.149 2.662 26 HG SER 6 HG SER 6 -2.975 -15.086 2.556 27 H GLY 7 H GLY 7 -1.295 -15.448 -0.894 28 HA2 GLY 7 1HA GLY 7 1.320 -15.372 0.476 29 HA3 GLY 7 2HA GLY 7 1.077 -14.965 -1.216 30 H VAL 8 H VAL 8 2.144 -13.478 1.218 31 HA VAL 8 HA VAL 8 0.344 -11.152 1.111 32 HB VAL 8 HB VAL 8 1.498 -10.358 3.141 33 HG11 VAL 8 1HG1 VAL 8 -0.022 -12.881 2.998 34 HG12 VAL 8 2HG1 VAL 8 0.784 -12.547 4.532 35 HG13 VAL 8 3HG1 VAL 8 -0.372 -11.390 3.872 36 HG21 VAL 8 1HG2 VAL 8 3.424 -12.264 2.408 37 HG22 VAL 8 2HG2 VAL 8 3.433 -11.213 3.824 38 HG23 VAL 8 3HG2 VAL 8 2.730 -12.827 3.928 39 H CYS 9 H CYS 9 1.524 -9.008 1.322 40 HA CYS 9 HA CYS 9 4.188 -8.878 0.240 41 HB2 CYS 9 1HB CYS 9 1.789 -8.352 -1.449 42 HB3 CYS 9 2HB CYS 9 3.176 -7.286 -1.639 43 HG CYS 9 HG CYS 9 2.822 -9.694 -3.436 44 H PHE 10 H PHE 10 5.168 -6.922 0.614 45 HA PHE 10 HA PHE 10 3.508 -4.865 1.916 46 HB2 PHE 10 1HB PHE 10 6.316 -5.738 2.625 47 HB3 PHE 10 2HB PHE 10 5.506 -4.336 3.318 48 HD1 PHE 10 2HD PHE 10 4.994 -7.996 2.833 49 HD2 PHE 10 1HD PHE 10 4.374 -4.585 5.302 50 HE1 PHE 10 2HE PHE 10 3.998 -9.434 4.564 51 HE2 PHE 10 1HE PHE 10 3.378 -6.018 7.037 52 HZ PHE 10 HZ PHE 10 3.188 -8.445 6.669 53 H VAL 11 H VAL 11 4.305 -2.670 1.752 54 HA VAL 11 HA VAL 11 6.222 -2.186 -0.410 55 HB VAL 11 HB VAL 11 4.784 -0.564 -1.495 56 HG11 VAL 11 1HG1 VAL 11 3.460 -2.052 -2.669 57 HG12 VAL 11 2HG1 VAL 11 4.657 -3.123 -1.937 58 HG13 VAL 11 3HG1 VAL 11 3.048 -2.982 -1.229 59 HG21 VAL 11 1HG2 VAL 11 2.229 -1.053 -0.503 60 HG22 VAL 11 2HG2 VAL 11 3.239 -0.853 0.929 61 HG23 VAL 11 3HG2 VAL 11 3.184 0.416 -0.295 62 H LYS 12 H LYS 12 7.246 -0.167 -0.337 63 HA LYS 12 HA LYS 12 6.985 1.209 2.249 64 HB2 LYS 12 1HB LYS 12 9.185 0.342 1.992 65 HB3 LYS 12 2HB LYS 12 9.298 0.923 0.336 66 HG2 LYS 12 1HG LYS 12 9.235 3.247 1.205 67 HG3 LYS 12 2HG LYS 12 9.285 2.589 2.842 68 HD2 LYS 12 1HD LYS 12 11.412 1.416 2.195 69 HD3 LYS 12 2HD LYS 12 11.383 2.341 0.692 70 HE2 LYS 12 1HE LYS 12 12.715 3.682 1.991 71 HE3 LYS 12 2HE LYS 12 11.131 4.382 2.319 72 HZ1 LYS 12 1HZ LYS 12 11.210 2.573 4.230 73 HZ2 LYS 12 2HZ LYS 12 11.848 4.126 4.433 74 HZ3 LYS 12 3HZ LYS 12 12.874 2.832 4.068 75 H ALA 13 H ALA 13 6.240 3.225 2.305 76 HA ALA 13 HA ALA 13 5.393 4.548 -0.072 77 HB1 ALA 13 1HB ALA 13 3.980 5.211 1.541 78 HB2 ALA 13 2HB ALA 13 5.175 4.997 2.821 79 HB3 ALA 13 3HB ALA 13 5.188 6.461 1.838 80 H LEU 14 H LEU 14 6.989 5.214 -1.412 81 HA LEU 14 HA LEU 14 9.509 6.147 -0.715 82 HB2 LEU 14 1HB LEU 14 7.814 6.836 -3.109 83 HB3 LEU 14 2HB LEU 14 9.529 7.213 -2.959 84 HG LEU 14 HG LEU 14 8.428 4.408 -2.901 85 HD11 LEU 14 1HD1 LEU 14 7.929 4.896 -5.062 86 HD12 LEU 14 2HD1 LEU 14 9.638 4.512 -5.261 87 HD13 LEU 14 3HD1 LEU 14 9.118 6.194 -5.164 88 HD21 LEU 14 1HD2 LEU 14 11.192 5.579 -3.122 89 HD22 LEU 14 2HD2 LEU 14 10.820 3.899 -3.510 90 HD23 LEU 14 3HD2 LEU 14 10.563 4.504 -1.873 91 H TYR 15 H TYR 15 6.493 7.938 -1.176 92 HA TYR 15 HA TYR 15 7.777 10.258 0.108 93 HB2 TYR 15 1HB TYR 15 5.581 10.511 -1.939 94 HB3 TYR 15 2HB TYR 15 6.651 11.767 -1.326 95 HD1 TYR 15 1HD TYR 15 6.552 8.709 -3.423 96 HD2 TYR 15 2HD TYR 15 8.702 12.232 -2.390 97 HE1 TYR 15 1HE TYR 15 8.069 8.332 -5.322 98 HE2 TYR 15 2HE TYR 15 10.224 11.866 -4.287 99 HH TYR 15 HH TYR 15 10.154 10.673 -6.500 100 H ASP 16 H ASP 16 6.199 11.742 1.149 101 HA ASP 16 HA ASP 16 4.401 10.228 2.800 102 HB2 ASP 16 1HB ASP 16 4.015 12.351 3.963 103 HB3 ASP 16 2HB ASP 16 5.738 12.064 3.735 104 H TYR 17 H TYR 17 2.357 9.793 2.345 105 HA TYR 17 HA TYR 17 0.966 11.451 0.356 106 HB2 TYR 17 1HB TYR 17 1.198 9.027 -0.144 107 HB3 TYR 17 2HB TYR 17 0.274 8.664 1.309 108 HD1 TYR 17 2HD TYR 17 -0.153 11.065 -1.531 109 HD2 TYR 17 1HD TYR 17 -1.854 7.946 0.810 110 HE1 TYR 17 2HE TYR 17 -2.241 11.245 -2.819 111 HE2 TYR 17 1HE TYR 17 -3.946 8.116 -0.472 112 HH TYR 17 HH TYR 17 -5.000 10.367 -1.983 113 H GLU 18 H GLU 18 -0.840 12.549 0.863 114 HA GLU 18 HA GLU 18 -1.840 12.292 3.620 115 HB2 GLU 18 1HB GLU 18 -2.772 14.665 3.063 116 HB3 GLU 18 2HB GLU 18 -1.078 14.471 3.492 117 HG2 GLU 18 1HG GLU 18 -1.931 14.421 0.629 118 HG3 GLU 18 2HG GLU 18 -1.714 15.950 1.478 119 H GLY 19 H GLY 19 -3.455 10.799 3.366 120 HA2 GLY 19 1HA GLY 19 -5.225 10.562 1.236 121 HA3 GLY 19 2HA GLY 19 -5.565 10.039 2.879 122 H GLN 20 H GLN 20 -6.650 11.945 0.440 123 HA GLN 20 HA GLN 20 -7.426 14.339 1.609 124 HB2 GLN 20 1HB GLN 20 -8.524 12.664 -0.609 125 HB3 GLN 20 2HB GLN 20 -9.458 14.041 -0.041 126 HG2 GLN 20 1HG GLN 20 -6.583 14.377 -0.769 127 HG3 GLN 20 2HG GLN 20 -7.821 14.326 -2.023 128 HE21 GLN 20 1HE2 GLN 20 -6.051 16.342 -0.187 129 HE22 GLN 20 2HE2 GLN 20 -7.095 17.718 -0.149 130 H THR 21 H THR 21 -9.158 11.239 1.526 131 HA THR 21 HA THR 21 -10.849 12.233 3.729 132 HB THR 21 HB THR 21 -12.623 10.688 2.923 133 HG1 THR 21 1HG THR 21 -11.250 10.516 0.463 134 HG21 THR 21 1HG2 THR 21 -12.884 12.967 2.312 135 HG22 THR 21 2HG2 THR 21 -13.190 12.029 0.850 136 HG23 THR 21 3HG2 THR 21 -11.643 12.848 1.065 137 H ASP 22 H ASP 22 -11.724 10.494 5.130 138 HA ASP 22 HA ASP 22 -9.772 9.006 6.350 139 HB2 ASP 22 1HB ASP 22 -12.728 8.374 6.207 140 HB3 ASP 22 2HB ASP 22 -11.602 7.684 7.373 141 H ASP 23 H ASP 23 -12.097 7.850 3.918 142 HA ASP 23 HA ASP 23 -11.526 5.213 3.748 143 HB2 ASP 23 1HB ASP 23 -11.630 6.800 1.202 144 HB3 ASP 23 2HB ASP 23 -12.348 5.232 1.562 145 H GLU 24 H GLU 24 -9.563 7.836 2.414 146 HA GLU 24 HA GLU 24 -7.653 6.124 1.177 147 HB2 GLU 24 1HB GLU 24 -7.643 9.045 1.909 148 HB3 GLU 24 2HB GLU 24 -6.245 8.265 1.182 149 HG2 GLU 24 1HG GLU 24 -7.564 7.669 -0.767 150 HG3 GLU 24 2HG GLU 24 -8.994 8.395 -0.036 151 H LEU 25 H LEU 25 -5.224 6.529 1.829 152 HA LEU 25 HA LEU 25 -4.999 6.103 4.736 153 HB2 LEU 25 1HB LEU 25 -4.635 4.140 3.013 154 HB3 LEU 25 2HB LEU 25 -3.045 4.882 2.851 155 HG LEU 25 HG LEU 25 -2.783 4.621 5.338 156 HD11 LEU 25 1HD1 LEU 25 -4.313 3.584 6.637 157 HD12 LEU 25 2HD1 LEU 25 -4.864 2.526 5.338 158 HD13 LEU 25 3HD1 LEU 25 -5.425 4.197 5.413 159 HD21 LEU 25 1HD2 LEU 25 -1.869 2.533 5.103 160 HD22 LEU 25 2HD2 LEU 25 -2.043 2.998 3.410 161 HD23 LEU 25 3HD2 LEU 25 -3.227 1.923 4.156 162 H SER 26 H SER 26 -3.573 7.338 5.791 163 HA SER 26 HA SER 26 -1.790 9.040 4.182 164 HB2 SER 26 1HB SER 26 -3.055 9.497 6.890 165 HB3 SER 26 2HB SER 26 -1.802 10.540 6.217 166 HG SER 26 HG SER 26 -4.459 10.182 5.402 167 H PHE 27 H PHE 27 0.263 8.441 4.211 168 HA PHE 27 HA PHE 27 1.421 7.480 6.733 169 HB2 PHE 27 1HB PHE 27 2.884 6.028 5.036 170 HB3 PHE 27 2HB PHE 27 1.376 5.430 5.720 171 HD1 PHE 27 2HD PHE 27 2.741 7.213 2.759 172 HD2 PHE 27 1HD PHE 27 -0.331 4.718 4.327 173 HE1 PHE 27 2HE PHE 27 1.842 6.900 0.490 174 HE2 PHE 27 1HE PHE 27 -1.234 4.400 2.060 175 HZ PHE 27 HZ PHE 27 -0.148 5.492 0.138 176 HA PRO 28 HA PRO 28 4.544 10.473 5.933 177 HB2 PRO 28 1HB PRO 28 6.548 9.433 7.440 178 HB3 PRO 28 2HB PRO 28 5.134 10.230 8.140 179 HG2 PRO 28 1HG PRO 28 5.689 7.307 7.805 180 HG3 PRO 28 2HG PRO 28 4.999 8.163 9.197 181 HD2 PRO 28 1HD PRO 28 3.474 6.806 7.418 182 HD3 PRO 28 2HD PRO 28 2.899 8.264 8.253 183 H GLU 29 H GLU 29 7.026 10.475 5.438 184 HA GLU 29 HA GLU 29 7.368 8.949 3.029 185 HB2 GLU 29 1HB GLU 29 8.143 11.236 3.075 186 HB3 GLU 29 2HB GLU 29 9.178 10.900 4.456 187 HG2 GLU 29 1HG GLU 29 10.587 9.482 3.121 188 HG3 GLU 29 2HG GLU 29 9.504 9.648 1.741 189 H GLY 30 H GLY 30 7.800 6.834 3.266 190 HA2 GLY 30 1HA GLY 30 9.542 5.201 3.488 191 HA3 GLY 30 2HA GLY 30 10.190 6.130 4.832 192 H ALA 31 H ALA 31 6.897 4.964 4.169 193 HA ALA 31 HA ALA 31 6.962 3.617 6.787 194 HB1 ALA 31 1HB ALA 31 4.727 4.930 5.275 195 HB2 ALA 31 2HB ALA 31 4.418 3.780 6.576 196 HB3 ALA 31 3HB ALA 31 5.307 5.266 6.906 197 H ILE 32 H ILE 32 5.957 1.567 6.999 198 HA ILE 32 HA ILE 32 5.997 0.019 4.509 199 HB ILE 32 HB ILE 32 6.028 -0.990 7.355 200 HG12 ILE 32 1HG1 ILE 32 8.080 0.157 7.033 201 HG13 ILE 32 2HG1 ILE 32 8.442 -1.544 6.760 202 HG21 ILE 32 1HG2 ILE 32 5.275 -2.362 5.154 203 HG22 ILE 32 2HG2 ILE 32 7.011 -2.664 5.145 204 HG23 ILE 32 3HG2 ILE 32 6.049 -3.096 6.558 205 HD11 ILE 32 1HD1 ILE 32 8.034 0.569 4.659 206 HD12 ILE 32 2HD1 ILE 32 9.553 -0.207 5.109 207 HD13 ILE 32 3HD1 ILE 32 8.279 -1.147 4.332 208 H ILE 33 H ILE 33 4.162 -0.634 3.616 209 HA ILE 33 HA ILE 33 1.738 -0.715 5.291 210 HB ILE 33 HB ILE 33 1.921 -0.235 2.315 211 HG12 ILE 33 1HG1 ILE 33 0.869 1.777 4.252 212 HG13 ILE 33 2HG1 ILE 33 2.614 1.579 4.124 213 HG21 ILE 33 1HG2 ILE 33 -0.265 -0.992 4.055 214 HG22 ILE 33 2HG2 ILE 33 -0.582 0.533 3.228 215 HG23 ILE 33 3HG2 ILE 33 -0.200 -0.913 2.294 216 HD11 ILE 33 1HD1 ILE 33 1.214 1.835 1.563 217 HD12 ILE 33 2HD1 ILE 33 1.142 3.256 2.606 218 HD13 ILE 33 3HD1 ILE 33 2.704 2.589 2.131 219 H ARG 34 H ARG 34 0.626 -2.569 5.430 220 HA ARG 34 HA ARG 34 1.689 -4.906 4.064 221 HB2 ARG 34 1HB ARG 34 1.240 -5.012 6.482 222 HB3 ARG 34 2HB ARG 34 -0.460 -4.682 6.178 223 HG2 ARG 34 1HG ARG 34 -0.629 -6.776 4.913 224 HG3 ARG 34 2HG ARG 34 1.068 -7.109 5.263 225 HD2 ARG 34 1HD ARG 34 -0.958 -6.632 7.431 226 HD3 ARG 34 2HD ARG 34 -0.671 -8.232 6.749 227 HE ARG 34 HE ARG 34 1.713 -6.905 7.662 228 HH11 ARG 34 2HH1 ARG 34 -0.962 -8.945 8.557 229 HH12 ARG 34 1HH1 ARG 34 -0.140 -9.653 9.908 230 HH21 ARG 34 2HH2 ARG 34 2.806 -7.829 9.437 231 HH22 ARG 34 1HH2 ARG 34 2.004 -9.016 10.408 232 H ILE 35 H ILE 35 0.972 -5.007 2.004 233 HA ILE 35 HA ILE 35 -1.500 -4.144 1.044 234 HB ILE 35 HB ILE 35 0.234 -6.354 -0.068 235 HG12 ILE 35 1HG1 ILE 35 1.460 -4.252 0.170 236 HG13 ILE 35 2HG1 ILE 35 1.145 -4.588 -1.529 237 HG21 ILE 35 1HG2 ILE 35 -2.333 -5.452 -0.845 238 HG22 ILE 35 2HG2 ILE 35 -1.183 -4.900 -2.061 239 HG23 ILE 35 3HG2 ILE 35 -1.287 -6.614 -1.661 240 HD11 ILE 35 1HD1 ILE 35 -0.925 -3.069 -1.173 241 HD12 ILE 35 2HD1 ILE 35 -0.032 -2.496 0.236 242 HD13 ILE 35 3HD1 ILE 35 0.671 -2.347 -1.375 243 H LEU 36 H LEU 36 -3.493 -4.917 1.239 244 HA LEU 36 HA LEU 36 -3.848 -7.622 2.320 245 HB2 LEU 36 1HB LEU 36 -5.722 -5.265 2.211 246 HB3 LEU 36 2HB LEU 36 -6.152 -6.853 2.844 247 HG LEU 36 HG LEU 36 -3.959 -5.133 3.993 248 HD11 LEU 36 1HD1 LEU 36 -6.653 -5.498 5.241 249 HD12 LEU 36 2HD1 LEU 36 -6.372 -4.211 4.069 250 HD13 LEU 36 3HD1 LEU 36 -5.430 -4.267 5.558 251 HD21 LEU 36 1HD2 LEU 36 -3.605 -6.772 5.477 252 HD22 LEU 36 2HD2 LEU 36 -4.413 -7.806 4.298 253 HD23 LEU 36 3HD2 LEU 36 -5.325 -7.124 5.646 254 H ASN 37 H ASN 37 -5.151 -5.445 -0.170 255 HA ASN 37 HA ASN 37 -5.728 -7.786 -1.827 256 HB2 ASN 37 1HB ASN 37 -7.717 -5.713 -0.946 257 HB3 ASN 37 2HB ASN 37 -7.918 -6.548 -2.483 258 HD21 ASN 37 1HD2 ASN 37 -8.877 -6.566 0.601 259 HD22 ASN 37 2HD2 ASN 37 -9.233 -8.244 0.810 260 H LYS 38 H LYS 38 -5.504 -7.451 -4.007 261 HA LYS 38 HA LYS 38 -4.808 -4.725 -4.875 262 HB2 LYS 38 1HB LYS 38 -3.313 -7.290 -5.311 263 HB3 LYS 38 2HB LYS 38 -3.195 -5.991 -6.491 264 HG2 LYS 38 1HG LYS 38 -2.669 -4.569 -4.318 265 HG3 LYS 38 2HG LYS 38 -2.148 -6.146 -3.723 266 HD2 LYS 38 1HD LYS 38 -1.235 -5.258 -6.417 267 HD3 LYS 38 2HD LYS 38 -0.481 -4.546 -4.989 268 HE2 LYS 38 1HE LYS 38 -0.778 -7.503 -5.103 269 HE3 LYS 38 2HE LYS 38 0.458 -6.751 -6.111 270 HZ1 LYS 38 1HZ LYS 38 0.254 -6.829 -3.177 271 HZ2 LYS 38 2HZ LYS 38 1.088 -5.560 -3.921 272 HZ3 LYS 38 3HZ LYS 38 1.586 -7.158 -4.166 273 H GLU 39 H GLU 39 -7.343 -5.937 -5.118 274 HA GLU 39 HA GLU 39 -7.516 -6.740 -7.928 275 HB2 GLU 39 1HB GLU 39 -9.469 -6.857 -5.636 276 HB3 GLU 39 2HB GLU 39 -9.956 -7.154 -7.299 277 HG2 GLU 39 1HG GLU 39 -8.566 -9.065 -7.459 278 HG3 GLU 39 2HG GLU 39 -7.762 -8.687 -5.937 279 H ASN 40 H ASN 40 -7.345 -4.885 -9.105 280 HA ASN 40 HA ASN 40 -8.845 -2.520 -8.382 281 HB2 ASN 40 1HB ASN 40 -7.298 -2.993 -10.933 282 HB3 ASN 40 2HB ASN 40 -7.738 -1.448 -10.211 283 HD21 ASN 40 1HD2 ASN 40 -6.761 -0.920 -8.139 284 HD22 ASN 40 2HD2 ASN 40 -5.164 -1.486 -7.799 285 H GLN 41 H GLN 41 -10.510 -4.722 -8.820 286 HA GLN 41 HA GLN 41 -11.571 -5.050 -11.349 287 HB2 GLN 41 1HB GLN 41 -12.211 -6.400 -9.388 288 HB3 GLN 41 2HB GLN 41 -13.086 -5.023 -8.733 289 HG2 GLN 41 1HG GLN 41 -14.488 -5.067 -10.824 290 HG3 GLN 41 2HG GLN 41 -13.726 -6.612 -11.199 291 HE21 GLN 41 1HE2 GLN 41 -14.425 -8.419 -10.210 292 HE22 GLN 41 2HE2 GLN 41 -15.692 -8.464 -9.036 293 H ASP 42 H ASP 42 -12.395 -2.608 -8.914 294 HA ASP 42 HA ASP 42 -13.916 -1.165 -10.983 295 HB2 ASP 42 1HB ASP 42 -14.250 -1.356 -8.006 296 HB3 ASP 42 2HB ASP 42 -14.864 0.046 -8.878 297 H ASP 43 H ASP 43 -12.051 -0.462 -8.022 298 HA ASP 43 HA ASP 43 -11.504 2.187 -8.452 299 HB2 ASP 43 1HB ASP 43 -9.643 0.113 -7.272 300 HB3 ASP 43 2HB ASP 43 -9.463 1.855 -7.089 301 H ASP 44 H ASP 44 -10.348 3.339 -9.858 302 HA ASP 44 HA ASP 44 -9.399 2.464 -12.239 303 HB2 ASP 44 1HB ASP 44 -8.358 4.747 -10.556 304 HB3 ASP 44 2HB ASP 44 -7.892 4.488 -12.235 305 H GLY 45 H GLY 45 -7.327 3.012 -9.382 306 HA2 GLY 45 1HA GLY 45 -5.767 0.675 -9.926 307 HA3 GLY 45 2HA GLY 45 -4.921 2.145 -10.385 308 H PHE 46 H PHE 46 -7.050 1.396 -7.633 309 HA PHE 46 HA PHE 46 -4.850 2.218 -5.853 310 HB2 PHE 46 1HB PHE 46 -7.826 2.632 -5.625 311 HB3 PHE 46 2HB PHE 46 -6.758 2.774 -4.233 312 HD1 PHE 46 2HD PHE 46 -6.810 3.965 -7.774 313 HD2 PHE 46 1HD PHE 46 -6.174 4.910 -3.673 314 HE1 PHE 46 2HE PHE 46 -6.328 6.297 -8.390 315 HE2 PHE 46 1HE PHE 46 -5.691 7.245 -4.283 316 HZ PHE 46 HZ PHE 46 -5.766 7.940 -6.644 317 H TRP 47 H TRP 47 -4.360 0.966 -4.101 318 HA TRP 47 HA TRP 47 -5.709 -1.646 -3.980 319 HB2 TRP 47 1HB TRP 47 -2.926 -0.867 -3.081 320 HB3 TRP 47 2HB TRP 47 -3.627 -2.477 -2.940 321 HD1 TRP 47 HD TRP 47 -4.971 -2.159 -6.007 322 HE1 TRP 47 1HE TRP 47 -3.396 -2.644 -7.983 323 HE3 TRP 47 3HE TRP 47 -0.483 -1.609 -3.621 324 HZ2 TRP 47 2HZ TRP 47 -0.618 -2.777 -8.467 325 HZ3 TRP 47 3HZ TRP 47 1.587 -1.932 -4.913 326 HH2 TRP 47 HH TRP 47 1.518 -2.505 -7.285 327 H GLU 48 H GLU 48 -5.527 -2.682 -1.725 328 HA GLU 48 HA GLU 48 -6.124 -0.654 0.327 329 HB2 GLU 48 1HB GLU 48 -8.120 -1.957 -0.614 330 HB3 GLU 48 2HB GLU 48 -7.448 -3.357 0.210 331 HG2 GLU 48 1HG GLU 48 -7.681 -2.295 2.341 332 HG3 GLU 48 2HG GLU 48 -8.161 -0.778 1.583 333 H GLY 49 H GLY 49 -4.809 -0.746 2.018 334 HA2 GLY 49 1HA GLY 49 -3.883 -3.333 3.002 335 HA3 GLY 49 2HA GLY 49 -2.644 -2.205 2.472 336 H GLU 50 H GLU 50 -2.910 -3.247 5.105 337 HA GLU 50 HA GLU 50 -3.906 -0.973 6.659 338 HB2 GLU 50 1HB GLU 50 -4.621 -3.249 7.317 339 HB3 GLU 50 2HB GLU 50 -2.941 -3.677 7.605 340 HG2 GLU 50 1HG GLU 50 -2.889 -1.779 9.278 341 HG3 GLU 50 2HG GLU 50 -4.644 -1.729 9.122 342 H PHE 51 H PHE 51 -2.599 0.398 7.718 343 HA PHE 51 HA PHE 51 0.269 0.120 7.303 344 HB2 PHE 51 1HB PHE 51 -0.725 2.274 6.768 345 HB3 PHE 51 2HB PHE 51 -1.382 2.407 8.396 346 HD1 PHE 51 2HD PHE 51 2.005 1.317 7.332 347 HD2 PHE 51 1HD PHE 51 -0.345 4.290 9.271 348 HE1 PHE 51 2HE PHE 51 4.058 2.459 8.062 349 HE2 PHE 51 1HE PHE 51 1.705 5.437 10.003 350 HZ PHE 51 HZ PHE 51 3.910 4.521 9.400 351 H ASN 52 H ASN 52 -0.985 -1.663 9.169 352 HA ASN 52 HA ASN 52 -0.468 -2.602 11.181 353 HB2 ASN 52 1HB ASN 52 1.838 -1.658 10.668 354 HB3 ASN 52 2HB ASN 52 1.402 -0.285 11.681 355 HD21 ASN 52 1HD2 ASN 52 2.991 -0.720 13.184 356 HD22 ASN 52 2HD2 ASN 52 2.900 -2.058 14.273 357 H GLY 53 H GLY 53 -2.771 -1.290 11.116 358 HA2 GLY 53 1HA GLY 53 -3.804 -0.925 13.468 359 HA3 GLY 53 2HA GLY 53 -2.825 0.534 13.420 360 H ARG 54 H ARG 54 -3.193 1.157 10.677 361 HA ARG 54 HA ARG 54 -6.046 1.895 10.701 362 HB2 ARG 54 1HB ARG 54 -5.389 3.883 9.389 363 HB3 ARG 54 2HB ARG 54 -4.618 3.838 10.969 364 HG2 ARG 54 1HG ARG 54 -2.546 3.100 9.992 365 HG3 ARG 54 2HG ARG 54 -3.303 2.974 8.403 366 HD2 ARG 54 1HD ARG 54 -2.753 5.460 10.006 367 HD3 ARG 54 2HD ARG 54 -2.093 5.016 8.433 368 HE ARG 54 HE ARG 54 -4.051 5.723 7.430 369 HH11 ARG 54 2HH1 ARG 54 -4.396 5.720 10.894 370 HH12 ARG 54 1HH1 ARG 54 -5.881 6.611 10.878 371 HH21 ARG 54 2HH2 ARG 54 -6.006 6.897 7.395 372 HH22 ARG 54 1HH2 ARG 54 -6.797 7.280 8.887 373 H ILE 55 H ILE 55 -7.229 1.760 8.803 374 HA ILE 55 HA ILE 55 -5.925 0.289 6.605 375 HB ILE 55 HB ILE 55 -8.793 0.060 7.527 376 HG12 ILE 55 1HG1 ILE 55 -6.628 -2.046 7.572 377 HG13 ILE 55 2HG1 ILE 55 -7.007 -1.029 8.958 378 HG21 ILE 55 1HG2 ILE 55 -7.371 -0.834 5.097 379 HG22 ILE 55 2HG2 ILE 55 -8.461 -1.999 5.847 380 HG23 ILE 55 3HG2 ILE 55 -9.070 -0.426 5.335 381 HD11 ILE 55 1HD1 ILE 55 -8.066 -3.236 9.077 382 HD12 ILE 55 2HD1 ILE 55 -9.246 -1.926 9.042 383 HD13 ILE 55 3HD1 ILE 55 -8.945 -2.880 7.590 384 H GLY 56 H GLY 56 -6.292 0.948 4.529 385 HA2 GLY 56 1HA GLY 56 -8.383 2.738 3.790 386 HA3 GLY 56 2HA GLY 56 -6.860 3.595 3.978 387 H VAL 57 H VAL 57 -7.100 4.092 1.696 388 HA VAL 57 HA VAL 57 -6.039 1.915 0.027 389 HB VAL 57 HB VAL 57 -7.372 2.745 -1.884 390 HG11 VAL 57 1HG1 VAL 57 -9.368 1.623 -1.312 391 HG12 VAL 57 2HG1 VAL 57 -8.100 0.866 -0.346 392 HG13 VAL 57 3HG1 VAL 57 -9.199 2.030 0.395 393 HG21 VAL 57 1HG2 VAL 57 -8.482 4.576 0.217 394 HG22 VAL 57 2HG2 VAL 57 -7.867 4.974 -1.387 395 HG23 VAL 57 3HG2 VAL 57 -9.417 4.150 -1.217 396 H PHE 58 H PHE 58 -4.745 2.590 -1.753 397 HA PHE 58 HA PHE 58 -3.928 5.402 -1.768 398 HB2 PHE 58 1HB PHE 58 -1.507 4.330 -2.077 399 HB3 PHE 58 2HB PHE 58 -2.156 4.722 -0.488 400 HD1 PHE 58 2HD PHE 58 -3.563 2.772 0.616 401 HD2 PHE 58 1HD PHE 58 -0.604 2.248 -2.399 402 HE1 PHE 58 2HE PHE 58 -3.274 0.430 1.312 403 HE2 PHE 58 1HE PHE 58 -0.311 -0.095 -1.709 404 HZ PHE 58 HZ PHE 58 -1.646 -1.007 0.149 405 HA PRO 59 HA PRO 59 -3.781 5.019 -6.135 406 HB2 PRO 59 1HB PRO 59 -1.647 6.564 -6.792 407 HB3 PRO 59 2HB PRO 59 -3.177 7.235 -6.216 408 HG2 PRO 59 1HG PRO 59 -0.641 6.735 -4.707 409 HG3 PRO 59 2HG PRO 59 -1.721 8.140 -4.646 410 HD2 PRO 59 1HD PRO 59 -1.759 6.191 -2.767 411 HD3 PRO 59 2HD PRO 59 -3.216 7.088 -3.241 412 H SER 60 H SER 60 -1.449 3.624 -4.214 413 HA SER 60 HA SER 60 0.206 2.092 -4.535 414 HB2 SER 60 1HB SER 60 -0.272 0.362 -6.048 415 HB3 SER 60 2HB SER 60 -1.859 1.048 -5.700 416 HG SER 60 HG SER 60 -0.240 1.654 -7.954 417 H VAL 61 H VAL 61 0.726 4.770 -5.449 418 HA VAL 61 HA VAL 61 2.729 4.177 -7.527 419 HB VAL 61 HB VAL 61 2.400 6.279 -8.576 420 HG11 VAL 61 1HG1 VAL 61 -0.430 5.978 -8.409 421 HG12 VAL 61 2HG1 VAL 61 0.663 5.476 -9.701 422 HG13 VAL 61 3HG1 VAL 61 0.317 4.382 -8.361 423 HG21 VAL 61 1HG2 VAL 61 2.097 7.800 -6.828 424 HG22 VAL 61 2HG2 VAL 61 0.555 7.824 -7.684 425 HG23 VAL 61 3HG2 VAL 61 0.714 6.920 -6.178 426 H LEU 62 H LEU 62 1.880 5.880 -4.606 427 HA LEU 62 HA LEU 62 4.460 7.200 -4.430 428 HB2 LEU 62 1HB LEU 62 2.161 7.092 -2.482 429 HB3 LEU 62 2HB LEU 62 3.604 8.089 -2.306 430 HG LEU 62 HG LEU 62 1.568 8.364 -4.516 431 HD11 LEU 62 1HD1 LEU 62 0.728 10.265 -3.380 432 HD12 LEU 62 2HD1 LEU 62 2.013 10.199 -2.174 433 HD13 LEU 62 3HD1 LEU 62 0.768 8.950 -2.204 434 HD21 LEU 62 1HD2 LEU 62 2.967 9.781 -5.504 435 HD22 LEU 62 2HD2 LEU 62 4.220 9.203 -4.405 436 HD23 LEU 62 3HD2 LEU 62 3.274 10.633 -3.991 437 H VAL 63 H VAL 63 3.977 4.176 -4.294 438 HA VAL 63 HA VAL 63 5.625 3.744 -1.895 439 HB VAL 63 HB VAL 63 4.495 1.639 -1.441 440 HG11 VAL 63 1HG1 VAL 63 2.927 4.169 -1.517 441 HG12 VAL 63 2HG1 VAL 63 2.114 2.679 -1.032 442 HG13 VAL 63 3HG1 VAL 63 3.521 3.249 -0.134 443 HG21 VAL 63 1HG2 VAL 63 2.123 1.710 -2.856 444 HG22 VAL 63 2HG2 VAL 63 3.339 2.132 -4.061 445 HG23 VAL 63 3HG2 VAL 63 3.482 0.627 -3.154 446 H GLU 64 H GLU 64 6.774 1.604 -1.972 447 HA GLU 64 HA GLU 64 7.378 0.763 -4.721 448 HB2 GLU 64 1HB GLU 64 9.157 2.263 -4.204 449 HB3 GLU 64 2HB GLU 64 9.355 1.581 -2.596 450 HG2 GLU 64 1HG GLU 64 11.153 0.778 -3.878 451 HG3 GLU 64 2HG GLU 64 10.029 -0.570 -3.713 452 H GLU 65 H GLU 65 7.498 -1.382 -4.988 453 HA GLU 65 HA GLU 65 6.787 -3.127 -2.873 454 HB2 GLU 65 1HB GLU 65 6.464 -3.357 -5.460 455 HB3 GLU 65 2HB GLU 65 8.051 -4.110 -5.405 456 HG2 GLU 65 1HG GLU 65 6.986 -5.569 -3.530 457 HG3 GLU 65 2HG GLU 65 5.468 -5.054 -4.260 458 H LEU 66 H LEU 66 8.060 -3.814 -1.296 459 HA LEU 66 HA LEU 66 10.870 -3.504 -1.297 460 HB2 LEU 66 1HB LEU 66 9.079 -5.156 0.477 461 HB3 LEU 66 2HB LEU 66 10.787 -4.850 0.785 462 HG LEU 66 HG LEU 66 8.693 -2.687 0.629 463 HD11 LEU 66 1HD1 LEU 66 7.997 -3.686 2.547 464 HD12 LEU 66 2HD1 LEU 66 9.317 -2.722 3.207 465 HD13 LEU 66 3HD1 LEU 66 9.563 -4.434 2.861 466 HD21 LEU 66 1HD2 LEU 66 11.428 -2.521 0.435 467 HD22 LEU 66 2HD2 LEU 66 11.136 -2.230 2.150 468 HD23 LEU 66 3HD2 LEU 66 10.348 -1.220 0.938 469 H SER 67 H SER 67 8.788 -6.355 -1.677 470 HA SER 67 HA SER 67 9.248 -8.499 -2.323 471 HB2 SER 67 1HB SER 67 9.419 -7.265 -4.467 472 HB3 SER 67 2HB SER 67 11.150 -7.063 -4.193 473 HG SER 67 HG SER 67 10.175 -8.982 -5.485 474 H SER 68 H SER 68 10.610 -7.905 -0.030 475 HA SER 68 HA SER 68 13.234 -9.181 -0.453 476 HB2 SER 68 1HB SER 68 12.357 -7.082 1.518 477 HB3 SER 68 2HB SER 68 13.766 -8.095 1.835 478 HG SER 68 HG SER 68 14.330 -6.147 0.776 479 H GLY 69 H GLY 69 12.402 -11.285 -0.271 480 HA2 GLY 69 1HA GLY 69 10.981 -12.022 2.161 481 HA3 GLY 69 2HA GLY 69 11.335 -13.075 0.799 482 HA PRO 70 HA PRO 70 14.585 -14.930 3.079 483 HB2 PRO 70 1HB PRO 70 16.302 -15.611 1.089 484 HB3 PRO 70 2HB PRO 70 14.767 -16.444 1.361 485 HG2 PRO 70 1HG PRO 70 15.437 -14.308 -0.626 486 HG3 PRO 70 2HG PRO 70 14.486 -15.787 -0.852 487 HD2 PRO 70 1HD PRO 70 13.342 -13.359 -0.497 488 HD3 PRO 70 2HD PRO 70 12.592 -14.861 0.080 489 H SER 71 H SER 71 14.886 -11.950 1.712 490 HA SER 71 HA SER 71 16.311 -10.215 2.129 491 HB2 SER 71 1HB SER 71 18.105 -12.092 3.661 492 HB3 SER 71 2HB SER 71 17.920 -10.350 3.860 493 HG SER 71 HG SER 71 16.820 -11.812 5.426 494 H SER 72 H SER 72 16.495 -11.395 -0.267 495 HA SER 72 HA SER 72 19.339 -11.887 -0.783 496 HB2 SER 72 1HB SER 72 16.895 -12.316 -2.516 497 HB3 SER 72 2HB SER 72 18.551 -12.625 -3.038 498 HG SER 72 HG SER 72 18.461 -13.931 -0.879 499 H GLY 73 H GLY 73 20.388 -9.995 -1.000 500 HA2 GLY 73 1HA GLY 73 21.070 -8.327 -2.597 501 HA3 GLY 73 2HA GLY 73 19.386 -8.154 -3.070 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.825 -23.353 7.036 2 HA2 GLY 1 1HA GLY 1 -10.419 -23.621 4.611 3 HA3 GLY 1 2HA GLY 1 -10.128 -22.139 5.509 4 H SER 2 H SER 2 -7.988 -24.541 3.973 5 HA SER 2 HA SER 2 -5.967 -22.856 3.221 6 HB2 SER 2 1HB SER 2 -5.407 -24.493 1.471 7 HB3 SER 2 2HB SER 2 -5.852 -25.299 2.976 8 HG SER 2 HG SER 2 -6.974 -26.342 1.412 9 H SER 3 H SER 3 -8.818 -23.710 1.268 10 HA SER 3 HA SER 3 -8.413 -22.432 -1.056 11 HB2 SER 3 1HB SER 3 -10.574 -23.543 -0.078 12 HB3 SER 3 2HB SER 3 -11.016 -21.886 0.334 13 HG SER 3 HG SER 3 -10.504 -21.450 -1.976 14 H GLY 4 H GLY 4 -7.519 -20.528 -1.488 15 HA2 GLY 4 1HA GLY 4 -8.466 -18.074 -1.302 16 HA3 GLY 4 2HA GLY 4 -7.914 -18.290 0.353 17 H SER 5 H SER 5 -7.069 -17.168 -2.652 18 HA SER 5 HA SER 5 -4.383 -17.852 -2.937 19 HB2 SER 5 1HB SER 5 -4.198 -15.685 -4.209 20 HB3 SER 5 2HB SER 5 -5.518 -16.730 -4.733 21 HG SER 5 HG SER 5 -6.936 -15.322 -4.016 22 H SER 6 H SER 6 -2.891 -17.681 -1.400 23 HA SER 6 HA SER 6 -2.908 -15.324 0.352 24 HB2 SER 6 1HB SER 6 -2.854 -17.808 1.195 25 HB3 SER 6 2HB SER 6 -1.136 -17.700 0.808 26 HG SER 6 HG SER 6 -2.279 -16.893 2.995 27 H GLY 7 H GLY 7 -1.919 -13.838 -1.023 28 HA2 GLY 7 1HA GLY 7 0.915 -14.421 -1.629 29 HA3 GLY 7 2HA GLY 7 -0.111 -13.476 -2.697 30 H VAL 8 H VAL 8 0.809 -13.483 0.751 31 HA VAL 8 HA VAL 8 0.360 -10.865 1.372 32 HB VAL 8 HB VAL 8 1.158 -12.549 2.991 33 HG11 VAL 8 1HG1 VAL 8 3.992 -12.034 2.325 34 HG12 VAL 8 2HG1 VAL 8 3.222 -13.482 2.975 35 HG13 VAL 8 3HG1 VAL 8 3.112 -13.121 1.251 36 HG21 VAL 8 1HG2 VAL 8 3.026 -10.198 3.048 37 HG22 VAL 8 2HG2 VAL 8 1.295 -10.022 3.337 38 HG23 VAL 8 3HG2 VAL 8 2.269 -11.037 4.402 39 H CYS 9 H CYS 9 1.588 -8.952 1.373 40 HA CYS 9 HA CYS 9 4.108 -8.801 0.009 41 HB2 CYS 9 1HB CYS 9 2.123 -8.873 -1.745 42 HB3 CYS 9 2HB CYS 9 1.983 -7.173 -1.314 43 HG CYS 9 HG CYS 9 3.454 -6.951 -3.524 44 H PHE 10 H PHE 10 5.027 -6.655 0.058 45 HA PHE 10 HA PHE 10 3.626 -4.719 1.749 46 HB2 PHE 10 1HB PHE 10 6.433 -5.712 2.293 47 HB3 PHE 10 2HB PHE 10 5.628 -4.402 3.150 48 HD1 PHE 10 2HD PHE 10 5.766 -8.023 2.634 49 HD2 PHE 10 1HD PHE 10 3.924 -4.846 4.786 50 HE1 PHE 10 2HE PHE 10 4.832 -9.648 4.229 51 HE2 PHE 10 1HE PHE 10 2.988 -6.466 6.384 52 HZ PHE 10 HZ PHE 10 3.441 -8.870 6.106 53 H VAL 11 H VAL 11 4.221 -2.582 1.426 54 HA VAL 11 HA VAL 11 6.275 -2.054 -0.606 55 HB VAL 11 HB VAL 11 4.841 -0.438 -1.736 56 HG11 VAL 11 1HG1 VAL 11 3.323 -1.996 -2.832 57 HG12 VAL 11 2HG1 VAL 11 4.891 -2.752 -2.542 58 HG13 VAL 11 3HG1 VAL 11 3.518 -3.140 -1.505 59 HG21 VAL 11 1HG2 VAL 11 2.859 -1.266 0.358 60 HG22 VAL 11 2HG2 VAL 11 3.369 0.358 -0.105 61 HG23 VAL 11 3HG2 VAL 11 2.337 -0.583 -1.182 62 H LYS 12 H LYS 12 7.329 -0.088 -0.423 63 HA LYS 12 HA LYS 12 6.910 1.296 2.130 64 HB2 LYS 12 1HB LYS 12 9.155 0.345 1.681 65 HB3 LYS 12 2HB LYS 12 9.292 1.385 0.269 66 HG2 LYS 12 1HG LYS 12 8.882 3.309 1.955 67 HG3 LYS 12 2HG LYS 12 9.351 2.113 3.165 68 HD2 LYS 12 1HD LYS 12 11.394 3.035 2.693 69 HD3 LYS 12 2HD LYS 12 11.366 1.725 1.511 70 HE2 LYS 12 1HE LYS 12 10.239 4.365 0.728 71 HE3 LYS 12 2HE LYS 12 11.991 4.201 0.828 72 HZ1 LYS 12 1HZ LYS 12 11.586 3.612 -1.335 73 HZ2 LYS 12 2HZ LYS 12 10.104 2.873 -0.991 74 HZ3 LYS 12 3HZ LYS 12 11.551 2.092 -0.594 75 H ALA 13 H ALA 13 6.172 3.321 2.202 76 HA ALA 13 HA ALA 13 5.204 4.624 -0.106 77 HB1 ALA 13 1HB ALA 13 4.574 6.419 1.352 78 HB2 ALA 13 2HB ALA 13 4.277 4.893 2.186 79 HB3 ALA 13 3HB ALA 13 5.692 5.861 2.598 80 H LEU 14 H LEU 14 6.771 5.063 -1.608 81 HA LEU 14 HA LEU 14 9.334 5.992 -1.202 82 HB2 LEU 14 1HB LEU 14 7.468 6.672 -3.470 83 HB3 LEU 14 2HB LEU 14 9.216 6.894 -3.489 84 HG LEU 14 HG LEU 14 7.964 4.188 -3.111 85 HD11 LEU 14 1HD1 LEU 14 8.759 5.466 -5.723 86 HD12 LEU 14 2HD1 LEU 14 7.105 5.155 -5.198 87 HD13 LEU 14 3HD1 LEU 14 8.204 3.808 -5.492 88 HD21 LEU 14 1HD2 LEU 14 10.633 5.245 -3.200 89 HD22 LEU 14 2HD2 LEU 14 10.388 4.092 -4.513 90 HD23 LEU 14 3HD2 LEU 14 10.089 3.606 -2.843 91 H TYR 15 H TYR 15 6.327 7.825 -1.384 92 HA TYR 15 HA TYR 15 7.746 10.133 -0.259 93 HB2 TYR 15 1HB TYR 15 5.627 10.491 -2.368 94 HB3 TYR 15 2HB TYR 15 6.782 11.674 -1.765 95 HD1 TYR 15 1HD TYR 15 6.412 8.653 -3.861 96 HD2 TYR 15 2HD TYR 15 8.951 11.871 -2.719 97 HE1 TYR 15 1HE TYR 15 7.930 8.107 -5.718 98 HE2 TYR 15 2HE TYR 15 10.475 11.334 -4.573 99 HH TYR 15 HH TYR 15 9.950 8.504 -6.623 100 H ASP 16 H ASP 16 6.762 10.945 1.472 101 HA ASP 16 HA ASP 16 4.685 9.831 2.811 102 HB2 ASP 16 1HB ASP 16 4.336 12.108 3.871 103 HB3 ASP 16 2HB ASP 16 5.985 11.491 3.912 104 H TYR 17 H TYR 17 2.567 9.615 2.529 105 HA TYR 17 HA TYR 17 1.228 11.408 0.610 106 HB2 TYR 17 1HB TYR 17 1.411 9.077 -0.189 107 HB3 TYR 17 2HB TYR 17 0.552 8.527 1.246 108 HD1 TYR 17 2HD TYR 17 0.029 11.179 -1.346 109 HD2 TYR 17 1HD TYR 17 -1.630 7.930 0.843 110 HE1 TYR 17 2HE TYR 17 -2.112 11.493 -2.514 111 HE2 TYR 17 1HE TYR 17 -3.775 8.234 -0.321 112 HH TYR 17 HH TYR 17 -4.506 10.986 -2.138 113 H GLU 18 H GLU 18 -0.265 12.689 1.454 114 HA GLU 18 HA GLU 18 -1.380 12.021 4.085 115 HB2 GLU 18 1HB GLU 18 -0.189 14.276 3.478 116 HB3 GLU 18 2HB GLU 18 -1.743 14.682 2.761 117 HG2 GLU 18 1HG GLU 18 -1.718 13.640 5.538 118 HG3 GLU 18 2HG GLU 18 -1.155 15.286 5.258 119 H GLY 19 H GLY 19 -3.017 10.604 3.492 120 HA2 GLY 19 1HA GLY 19 -4.800 10.759 1.418 121 HA3 GLY 19 2HA GLY 19 -5.209 10.104 2.996 122 H GLN 20 H GLN 20 -6.512 11.957 0.852 123 HA GLN 20 HA GLN 20 -7.019 14.413 2.187 124 HB2 GLN 20 1HB GLN 20 -8.493 13.006 -0.042 125 HB3 GLN 20 2HB GLN 20 -8.885 14.624 0.523 126 HG2 GLN 20 1HG GLN 20 -6.121 13.951 -0.400 127 HG3 GLN 20 2HG GLN 20 -7.393 14.356 -1.552 128 HE21 GLN 20 1HE2 GLN 20 -5.165 15.534 0.756 129 HE22 GLN 20 2HE2 GLN 20 -5.543 17.213 0.602 130 H THR 21 H THR 21 -8.872 11.403 1.860 131 HA THR 21 HA THR 21 -10.622 12.337 4.041 132 HB THR 21 HB THR 21 -12.252 10.609 3.184 133 HG1 THR 21 1HG THR 21 -10.826 10.703 0.750 134 HG21 THR 21 1HG2 THR 21 -11.489 13.132 1.860 135 HG22 THR 21 2HG2 THR 21 -13.038 12.628 2.535 136 HG23 THR 21 3HG2 THR 21 -12.553 12.075 0.933 137 H ASP 22 H ASP 22 -11.651 10.364 5.216 138 HA ASP 22 HA ASP 22 -9.584 9.013 6.572 139 HB2 ASP 22 1HB ASP 22 -11.394 7.784 7.703 140 HB3 ASP 22 2HB ASP 22 -11.727 9.512 7.637 141 H ASP 23 H ASP 23 -11.999 7.832 4.241 142 HA ASP 23 HA ASP 23 -11.472 5.182 4.128 143 HB2 ASP 23 1HB ASP 23 -11.780 5.492 1.537 144 HB3 ASP 23 2HB ASP 23 -13.112 5.837 2.637 145 H GLU 24 H GLU 24 -9.515 7.736 2.659 146 HA GLU 24 HA GLU 24 -7.669 5.958 1.414 147 HB2 GLU 24 1HB GLU 24 -7.548 8.898 2.075 148 HB3 GLU 24 2HB GLU 24 -6.240 8.054 1.259 149 HG2 GLU 24 1HG GLU 24 -8.082 7.329 -0.410 150 HG3 GLU 24 2HG GLU 24 -8.989 8.676 0.276 151 H LEU 25 H LEU 25 -5.200 6.449 1.989 152 HA LEU 25 HA LEU 25 -4.899 6.044 4.892 153 HB2 LEU 25 1HB LEU 25 -4.566 4.051 3.231 154 HB3 LEU 25 2HB LEU 25 -3.010 4.822 2.929 155 HG LEU 25 HG LEU 25 -2.597 4.664 5.422 156 HD11 LEU 25 1HD1 LEU 25 -5.007 2.865 5.229 157 HD12 LEU 25 2HD1 LEU 25 -4.847 4.330 6.197 158 HD13 LEU 25 3HD1 LEU 25 -3.888 2.904 6.593 159 HD21 LEU 25 1HD2 LEU 25 -2.827 2.264 3.634 160 HD22 LEU 25 2HD2 LEU 25 -2.160 2.149 5.262 161 HD23 LEU 25 3HD2 LEU 25 -1.389 3.189 4.064 162 H SER 26 H SER 26 -3.472 7.317 5.897 163 HA SER 26 HA SER 26 -1.706 8.980 4.225 164 HB2 SER 26 1HB SER 26 -1.806 10.653 6.040 165 HB3 SER 26 2HB SER 26 -3.410 10.288 5.403 166 HG SER 26 HG SER 26 -2.845 10.274 7.860 167 H PHE 27 H PHE 27 0.350 8.399 4.324 168 HA PHE 27 HA PHE 27 1.468 7.589 6.917 169 HB2 PHE 27 1HB PHE 27 2.971 6.058 5.326 170 HB3 PHE 27 2HB PHE 27 1.459 5.485 6.022 171 HD1 PHE 27 2HD PHE 27 2.915 7.021 2.977 172 HD2 PHE 27 1HD PHE 27 -0.284 4.769 4.653 173 HE1 PHE 27 2HE PHE 27 2.053 6.571 0.717 174 HE2 PHE 27 1HE PHE 27 -1.151 4.315 2.395 175 HZ PHE 27 HZ PHE 27 0.017 5.217 0.424 176 HA PRO 28 HA PRO 28 4.675 10.460 6.048 177 HB2 PRO 28 1HB PRO 28 6.740 9.332 7.402 178 HB3 PRO 28 2HB PRO 28 5.382 10.126 8.208 179 HG2 PRO 28 1HG PRO 28 5.862 7.209 7.739 180 HG3 PRO 28 2HG PRO 28 5.267 8.025 9.197 181 HD2 PRO 28 1HD PRO 28 3.620 6.760 7.460 182 HD3 PRO 28 2HD PRO 28 3.120 8.195 8.377 183 H GLU 29 H GLU 29 7.257 10.257 5.597 184 HA GLU 29 HA GLU 29 7.400 8.931 3.035 185 HB2 GLU 29 1HB GLU 29 8.337 11.130 3.156 186 HB3 GLU 29 2HB GLU 29 9.326 10.698 4.543 187 HG2 GLU 29 1HG GLU 29 10.559 9.103 3.089 188 HG3 GLU 29 2HG GLU 29 9.644 9.723 1.716 189 H GLY 30 H GLY 30 7.768 6.802 3.036 190 HA2 GLY 30 1HA GLY 30 9.362 5.035 3.117 191 HA3 GLY 30 2HA GLY 30 10.132 5.831 4.480 192 H ALA 31 H ALA 31 6.712 5.037 3.988 193 HA ALA 31 HA ALA 31 6.778 3.566 6.528 194 HB1 ALA 31 1HB ALA 31 4.493 4.797 4.999 195 HB2 ALA 31 2HB ALA 31 4.294 3.816 6.451 196 HB3 ALA 31 3HB ALA 31 5.178 5.340 6.531 197 H ILE 32 H ILE 32 6.320 1.440 6.651 198 HA ILE 32 HA ILE 32 6.097 -0.035 4.163 199 HB ILE 32 HB ILE 32 6.254 -1.112 6.979 200 HG12 ILE 32 1HG1 ILE 32 8.214 0.276 6.421 201 HG13 ILE 32 2HG1 ILE 32 8.642 -1.426 6.559 202 HG21 ILE 32 1HG2 ILE 32 7.054 -2.543 4.472 203 HG22 ILE 32 2HG2 ILE 32 6.666 -3.209 6.057 204 HG23 ILE 32 3HG2 ILE 32 5.384 -2.557 5.037 205 HD11 ILE 32 1HD1 ILE 32 8.083 -0.086 3.931 206 HD12 ILE 32 2HD1 ILE 32 9.690 -0.182 4.652 207 HD13 ILE 32 3HD1 ILE 32 8.829 -1.658 4.216 208 H ILE 33 H ILE 33 4.235 -0.682 3.327 209 HA ILE 33 HA ILE 33 1.874 -0.810 5.081 210 HB ILE 33 HB ILE 33 1.944 -0.491 2.078 211 HG12 ILE 33 1HG1 ILE 33 1.023 1.635 3.974 212 HG13 ILE 33 2HG1 ILE 33 2.748 1.435 3.684 213 HG21 ILE 33 1HG2 ILE 33 -0.053 -1.637 3.085 214 HG22 ILE 33 2HG2 ILE 33 -0.387 -0.137 3.948 215 HG23 ILE 33 3HG2 ILE 33 -0.406 -0.162 2.185 216 HD11 ILE 33 1HD1 ILE 33 2.629 2.317 1.628 217 HD12 ILE 33 2HD1 ILE 33 1.080 1.550 1.272 218 HD13 ILE 33 3HD1 ILE 33 1.133 3.028 2.234 219 H ARG 34 H ARG 34 0.562 -2.600 5.084 220 HA ARG 34 HA ARG 34 1.739 -5.016 3.930 221 HB2 ARG 34 1HB ARG 34 1.265 -5.125 6.298 222 HB3 ARG 34 2HB ARG 34 -0.399 -4.625 6.028 223 HG2 ARG 34 1HG ARG 34 -0.737 -6.720 4.717 224 HG3 ARG 34 2HG ARG 34 0.877 -7.226 5.220 225 HD2 ARG 34 1HD ARG 34 -1.172 -6.396 7.241 226 HD3 ARG 34 2HD ARG 34 -1.173 -8.029 6.577 227 HE ARG 34 HE ARG 34 1.361 -7.786 7.370 228 HH11 ARG 34 2HH1 ARG 34 -1.625 -7.008 8.982 229 HH12 ARG 34 1HH1 ARG 34 -1.000 -7.313 10.568 230 HH21 ARG 34 2HH2 ARG 34 2.196 -8.190 9.454 231 HH22 ARG 34 1HH2 ARG 34 1.174 -7.984 10.836 232 H ILE 35 H ILE 35 1.087 -4.896 1.790 233 HA ILE 35 HA ILE 35 -1.366 -4.190 0.768 234 HB ILE 35 HB ILE 35 0.500 -6.342 -0.230 235 HG12 ILE 35 1HG1 ILE 35 1.492 -4.094 -0.095 236 HG13 ILE 35 2HG1 ILE 35 1.289 -4.605 -1.767 237 HG21 ILE 35 1HG2 ILE 35 -1.094 -6.886 -1.681 238 HG22 ILE 35 2HG2 ILE 35 -2.126 -5.567 -1.130 239 HG23 ILE 35 3HG2 ILE 35 -0.916 -5.276 -2.379 240 HD11 ILE 35 1HD1 ILE 35 -0.736 -3.239 -1.924 241 HD12 ILE 35 2HD1 ILE 35 -0.493 -2.707 -0.260 242 HD13 ILE 35 3HD1 ILE 35 0.684 -2.282 -1.502 243 H LEU 36 H LEU 36 -3.319 -4.893 1.305 244 HA LEU 36 HA LEU 36 -3.664 -7.673 2.162 245 HB2 LEU 36 1HB LEU 36 -5.510 -5.299 2.368 246 HB3 LEU 36 2HB LEU 36 -5.875 -6.918 2.960 247 HG LEU 36 HG LEU 36 -3.650 -5.154 3.980 248 HD11 LEU 36 1HD1 LEU 36 -5.106 -4.209 5.357 249 HD12 LEU 36 2HD1 LEU 36 -5.689 -5.785 5.891 250 HD13 LEU 36 3HD1 LEU 36 -6.407 -5.012 4.478 251 HD21 LEU 36 1HD2 LEU 36 -3.111 -7.497 4.212 252 HD22 LEU 36 2HD2 LEU 36 -4.696 -7.824 4.914 253 HD23 LEU 36 3HD2 LEU 36 -3.532 -6.829 5.789 254 H ASN 37 H ASN 37 -4.963 -5.301 -0.125 255 HA ASN 37 HA ASN 37 -5.994 -7.540 -1.729 256 HB2 ASN 37 1HB ASN 37 -7.400 -4.893 -1.307 257 HB3 ASN 37 2HB ASN 37 -7.961 -6.211 -2.332 258 HD21 ASN 37 1HD2 ASN 37 -7.518 -5.096 0.924 259 HD22 ASN 37 2HD2 ASN 37 -8.497 -6.299 1.686 260 H LYS 38 H LYS 38 -5.059 -7.579 -3.653 261 HA LYS 38 HA LYS 38 -3.873 -5.115 -4.713 262 HB2 LYS 38 1HB LYS 38 -3.293 -8.017 -5.020 263 HB3 LYS 38 2HB LYS 38 -2.938 -6.971 -6.389 264 HG2 LYS 38 1HG LYS 38 -1.759 -5.530 -4.504 265 HG3 LYS 38 2HG LYS 38 -1.661 -7.108 -3.718 266 HD2 LYS 38 1HD LYS 38 0.292 -7.140 -4.909 267 HD3 LYS 38 2HD LYS 38 -0.798 -7.852 -6.101 268 HE2 LYS 38 1HE LYS 38 -0.485 -4.893 -6.057 269 HE3 LYS 38 2HE LYS 38 0.831 -5.862 -6.717 270 HZ1 LYS 38 1HZ LYS 38 -0.623 -5.281 -8.487 271 HZ2 LYS 38 2HZ LYS 38 -1.988 -5.809 -7.639 272 HZ3 LYS 38 3HZ LYS 38 -0.844 -6.930 -8.183 273 H GLU 39 H GLU 39 -6.032 -7.773 -5.599 274 HA GLU 39 HA GLU 39 -6.531 -7.049 -8.247 275 HB2 GLU 39 1HB GLU 39 -8.075 -8.569 -6.181 276 HB3 GLU 39 2HB GLU 39 -8.846 -8.165 -7.708 277 HG2 GLU 39 1HG GLU 39 -6.213 -9.598 -7.541 278 HG3 GLU 39 2HG GLU 39 -7.765 -10.433 -7.568 279 H ASN 40 H ASN 40 -6.702 -4.795 -8.383 280 HA ASN 40 HA ASN 40 -8.483 -3.215 -6.894 281 HB2 ASN 40 1HB ASN 40 -7.653 -2.594 -9.724 282 HB3 ASN 40 2HB ASN 40 -7.995 -1.468 -8.414 283 HD21 ASN 40 1HD2 ASN 40 -6.291 -0.583 -7.521 284 HD22 ASN 40 2HD2 ASN 40 -4.703 -1.261 -7.452 285 H GLN 41 H GLN 41 -10.564 -3.894 -6.781 286 HA GLN 41 HA GLN 41 -12.065 -5.053 -8.821 287 HB2 GLN 41 1HB GLN 41 -12.555 -4.809 -6.277 288 HB3 GLN 41 2HB GLN 41 -13.336 -3.304 -6.741 289 HG2 GLN 41 1HG GLN 41 -14.746 -4.611 -8.328 290 HG3 GLN 41 2HG GLN 41 -14.048 -6.080 -7.648 291 HE21 GLN 41 1HE2 GLN 41 -15.375 -3.042 -6.371 292 HE22 GLN 41 2HE2 GLN 41 -16.425 -3.787 -5.219 293 H ASP 42 H ASP 42 -11.699 -1.657 -7.908 294 HA ASP 42 HA ASP 42 -13.422 -0.833 -10.114 295 HB2 ASP 42 1HB ASP 42 -11.977 0.990 -8.196 296 HB3 ASP 42 2HB ASP 42 -13.414 1.336 -9.155 297 H ASP 43 H ASP 43 -12.734 0.484 -11.811 298 HA ASP 43 HA ASP 43 -10.212 -0.077 -12.887 299 HB2 ASP 43 1HB ASP 43 -12.298 0.678 -14.128 300 HB3 ASP 43 2HB ASP 43 -11.899 2.317 -13.620 301 H ASP 44 H ASP 44 -11.204 2.292 -10.610 302 HA ASP 44 HA ASP 44 -9.625 4.447 -10.874 303 HB2 ASP 44 1HB ASP 44 -9.893 2.869 -8.305 304 HB3 ASP 44 2HB ASP 44 -9.448 4.569 -8.432 305 H GLY 45 H GLY 45 -8.478 1.430 -9.343 306 HA2 GLY 45 1HA GLY 45 -6.362 0.449 -9.806 307 HA3 GLY 45 2HA GLY 45 -5.799 2.008 -10.390 308 H PHE 46 H PHE 46 -7.386 1.121 -7.338 309 HA PHE 46 HA PHE 46 -5.014 2.154 -5.928 310 HB2 PHE 46 1HB PHE 46 -7.945 2.431 -5.297 311 HB3 PHE 46 2HB PHE 46 -6.713 2.646 -4.057 312 HD1 PHE 46 2HD PHE 46 -7.119 3.737 -7.606 313 HD2 PHE 46 1HD PHE 46 -6.316 4.844 -3.575 314 HE1 PHE 46 2HE PHE 46 -6.826 6.076 -8.310 315 HE2 PHE 46 1HE PHE 46 -6.023 7.185 -4.273 316 HZ PHE 46 HZ PHE 46 -6.276 7.804 -6.643 317 H TRP 47 H TRP 47 -4.295 1.065 -4.104 318 HA TRP 47 HA TRP 47 -5.320 -1.676 -3.841 319 HB2 TRP 47 1HB TRP 47 -2.627 -0.456 -3.241 320 HB3 TRP 47 2HB TRP 47 -3.080 -2.063 -2.683 321 HD1 TRP 47 HD TRP 47 -4.716 -2.457 -5.655 322 HE1 TRP 47 1HE TRP 47 -3.243 -3.246 -7.613 323 HE3 TRP 47 3HE TRP 47 -0.128 -1.216 -3.771 324 HZ2 TRP 47 2HZ TRP 47 -0.500 -3.331 -8.272 325 HZ3 TRP 47 3HZ TRP 47 1.870 -1.685 -5.129 326 HH2 TRP 47 HH TRP 47 1.686 -2.721 -7.332 327 H GLU 48 H GLU 48 -5.435 -2.627 -1.711 328 HA GLU 48 HA GLU 48 -5.931 -0.626 0.396 329 HB2 GLU 48 1HB GLU 48 -7.914 -1.964 -0.634 330 HB3 GLU 48 2HB GLU 48 -7.298 -3.296 0.332 331 HG2 GLU 48 1HG GLU 48 -7.841 -2.292 2.320 332 HG3 GLU 48 2HG GLU 48 -7.785 -0.667 1.639 333 H GLY 49 H GLY 49 -4.549 -0.751 2.029 334 HA2 GLY 49 1HA GLY 49 -3.683 -3.389 2.967 335 HA3 GLY 49 2HA GLY 49 -2.442 -2.230 2.512 336 H GLU 50 H GLU 50 -2.718 -3.373 5.087 337 HA GLU 50 HA GLU 50 -3.861 -1.265 6.748 338 HB2 GLU 50 1HB GLU 50 -4.040 -3.843 7.143 339 HB3 GLU 50 2HB GLU 50 -2.431 -3.667 7.829 340 HG2 GLU 50 1HG GLU 50 -3.492 -1.795 9.252 341 HG3 GLU 50 2HG GLU 50 -5.024 -2.536 8.791 342 H PHE 51 H PHE 51 -2.703 0.192 7.874 343 HA PHE 51 HA PHE 51 0.226 0.069 7.606 344 HB2 PHE 51 1HB PHE 51 -0.476 2.021 6.507 345 HB3 PHE 51 2HB PHE 51 -1.697 2.377 7.724 346 HD1 PHE 51 2HD PHE 51 1.998 2.046 7.370 347 HD2 PHE 51 1HD PHE 51 -1.258 3.998 9.294 348 HE1 PHE 51 2HE PHE 51 3.577 3.553 8.504 349 HE2 PHE 51 1HE PHE 51 0.316 5.510 10.431 350 HZ PHE 51 HZ PHE 51 2.737 5.288 10.038 351 H ASN 52 H ASN 52 -1.936 1.858 9.790 352 HA ASN 52 HA ASN 52 -0.502 0.652 12.063 353 HB2 ASN 52 1HB ASN 52 -0.497 2.747 13.217 354 HB3 ASN 52 2HB ASN 52 0.133 3.050 11.601 355 HD21 ASN 52 1HD2 ASN 52 -0.888 5.044 13.245 356 HD22 ASN 52 2HD2 ASN 52 -2.331 5.669 12.528 357 H GLY 53 H GLY 53 -2.492 -0.802 11.658 358 HA2 GLY 53 1HA GLY 53 -4.364 -1.638 12.726 359 HA3 GLY 53 2HA GLY 53 -4.394 -0.190 13.721 360 H ARG 54 H ARG 54 -4.235 0.700 10.516 361 HA ARG 54 HA ARG 54 -7.165 0.804 10.255 362 HB2 ARG 54 1HB ARG 54 -7.162 3.067 9.677 363 HB3 ARG 54 2HB ARG 54 -6.021 2.987 11.013 364 HG2 ARG 54 1HG ARG 54 -4.165 3.181 9.569 365 HG3 ARG 54 2HG ARG 54 -5.157 2.886 8.139 366 HD2 ARG 54 1HD ARG 54 -4.674 5.227 8.242 367 HD3 ARG 54 2HD ARG 54 -6.378 5.000 8.634 368 HE ARG 54 HE ARG 54 -4.822 5.033 10.995 369 HH11 ARG 54 2HH1 ARG 54 -6.063 7.126 8.505 370 HH12 ARG 54 1HH1 ARG 54 -6.107 8.528 9.523 371 HH21 ARG 54 2HH2 ARG 54 -4.875 6.871 12.345 372 HH22 ARG 54 1HH2 ARG 54 -5.430 8.381 11.707 373 H ILE 55 H ILE 55 -7.985 0.592 8.197 374 HA ILE 55 HA ILE 55 -6.025 -0.150 6.127 375 HB ILE 55 HB ILE 55 -8.896 -1.049 6.396 376 HG12 ILE 55 1HG1 ILE 55 -6.546 -2.886 6.563 377 HG13 ILE 55 2HG1 ILE 55 -6.959 -1.920 7.976 378 HG21 ILE 55 1HG2 ILE 55 -8.295 -0.942 4.082 379 HG22 ILE 55 2HG2 ILE 55 -6.759 -1.748 4.393 380 HG23 ILE 55 3HG2 ILE 55 -8.272 -2.634 4.577 381 HD11 ILE 55 1HD1 ILE 55 -8.360 -4.209 6.765 382 HD12 ILE 55 2HD1 ILE 55 -8.218 -3.721 8.454 383 HD13 ILE 55 3HD1 ILE 55 -9.375 -2.912 7.397 384 H GLY 56 H GLY 56 -5.823 1.243 4.511 385 HA2 GLY 56 1HA GLY 56 -8.205 2.781 3.686 386 HA3 GLY 56 2HA GLY 56 -6.633 3.549 3.854 387 H VAL 57 H VAL 57 -7.439 4.057 1.533 388 HA VAL 57 HA VAL 57 -6.356 1.988 -0.268 389 HB VAL 57 HB VAL 57 -7.820 2.857 -2.036 390 HG11 VAL 57 1HG1 VAL 57 -8.482 1.064 -0.252 391 HG12 VAL 57 2HG1 VAL 57 -9.646 2.289 0.255 392 HG13 VAL 57 3HG1 VAL 57 -9.682 1.666 -1.395 393 HG21 VAL 57 1HG2 VAL 57 -8.172 5.109 -1.478 394 HG22 VAL 57 2HG2 VAL 57 -9.745 4.344 -1.254 395 HG23 VAL 57 3HG2 VAL 57 -8.735 4.710 0.145 396 H PHE 58 H PHE 58 -4.700 2.557 -1.535 397 HA PHE 58 HA PHE 58 -4.024 5.420 -1.714 398 HB2 PHE 58 1HB PHE 58 -1.626 4.359 -2.101 399 HB3 PHE 58 2HB PHE 58 -2.248 4.644 -0.479 400 HD1 PHE 58 2HD PHE 58 -3.512 2.663 0.621 401 HD2 PHE 58 1HD PHE 58 -0.852 2.265 -2.678 402 HE1 PHE 58 2HE PHE 58 -3.212 0.280 1.155 403 HE2 PHE 58 1HE PHE 58 -0.548 -0.119 -2.150 404 HZ PHE 58 HZ PHE 58 -1.728 -1.114 -0.230 405 HA PRO 59 HA PRO 59 -4.005 5.165 -6.093 406 HB2 PRO 59 1HB PRO 59 -1.884 6.724 -6.760 407 HB3 PRO 59 2HB PRO 59 -3.397 7.381 -6.124 408 HG2 PRO 59 1HG PRO 59 -0.824 6.831 -4.697 409 HG3 PRO 59 2HG PRO 59 -1.898 8.236 -4.566 410 HD2 PRO 59 1HD PRO 59 -1.892 6.230 -2.746 411 HD3 PRO 59 2HD PRO 59 -3.358 7.145 -3.155 412 H SER 60 H SER 60 -1.680 3.659 -4.282 413 HA SER 60 HA SER 60 -0.036 2.135 -4.690 414 HB2 SER 60 1HB SER 60 -0.472 0.544 -6.449 415 HB3 SER 60 2HB SER 60 -2.020 1.026 -5.756 416 HG SER 60 HG SER 60 -0.926 2.274 -8.047 417 H VAL 61 H VAL 61 0.556 4.817 -5.443 418 HA VAL 61 HA VAL 61 2.508 4.303 -7.586 419 HB VAL 61 HB VAL 61 2.212 6.490 -8.503 420 HG11 VAL 61 1HG1 VAL 61 -0.588 6.209 -8.516 421 HG12 VAL 61 2HG1 VAL 61 0.565 5.626 -9.718 422 HG13 VAL 61 3HG1 VAL 61 0.080 4.583 -8.381 423 HG21 VAL 61 1HG2 VAL 61 0.065 7.054 -6.473 424 HG22 VAL 61 2HG2 VAL 61 1.742 7.553 -6.255 425 HG23 VAL 61 3HG2 VAL 61 0.807 8.174 -7.615 426 H LEU 62 H LEU 62 1.695 5.954 -4.613 427 HA LEU 62 HA LEU 62 4.315 7.183 -4.398 428 HB2 LEU 62 1HB LEU 62 2.038 7.091 -2.425 429 HB3 LEU 62 2HB LEU 62 3.491 8.078 -2.282 430 HG LEU 62 HG LEU 62 1.382 8.372 -4.422 431 HD11 LEU 62 1HD1 LEU 62 1.965 10.206 -2.108 432 HD12 LEU 62 2HD1 LEU 62 0.683 8.995 -2.095 433 HD13 LEU 62 3HD1 LEU 62 0.641 10.311 -3.268 434 HD21 LEU 62 1HD2 LEU 62 2.578 10.489 -4.898 435 HD22 LEU 62 2HD2 LEU 62 3.542 9.052 -5.240 436 HD23 LEU 62 3HD2 LEU 62 3.845 9.989 -3.777 437 H VAL 63 H VAL 63 3.905 4.209 -4.416 438 HA VAL 63 HA VAL 63 5.452 3.658 -1.979 439 HB VAL 63 HB VAL 63 4.301 1.527 -1.662 440 HG11 VAL 63 1HG1 VAL 63 2.060 2.449 -0.975 441 HG12 VAL 63 2HG1 VAL 63 3.462 3.322 -0.353 442 HG13 VAL 63 3HG1 VAL 63 2.548 3.974 -1.714 443 HG21 VAL 63 1HG2 VAL 63 3.201 2.173 -4.256 444 HG22 VAL 63 2HG2 VAL 63 3.241 0.629 -3.404 445 HG23 VAL 63 3HG2 VAL 63 1.933 1.772 -3.098 446 H GLU 64 H GLU 64 6.672 1.603 -2.112 447 HA GLU 64 HA GLU 64 7.272 0.793 -4.871 448 HB2 GLU 64 1HB GLU 64 9.028 2.310 -4.402 449 HB3 GLU 64 2HB GLU 64 9.224 1.699 -2.765 450 HG2 GLU 64 1HG GLU 64 11.049 0.979 -4.185 451 HG3 GLU 64 2HG GLU 64 10.096 -0.400 -3.641 452 H GLU 65 H GLU 65 7.480 -1.347 -5.154 453 HA GLU 65 HA GLU 65 6.775 -3.139 -3.096 454 HB2 GLU 65 1HB GLU 65 6.648 -3.353 -5.715 455 HB3 GLU 65 2HB GLU 65 8.242 -4.070 -5.531 456 HG2 GLU 65 1HG GLU 65 7.262 -5.696 -3.932 457 HG3 GLU 65 2HG GLU 65 5.672 -5.030 -4.298 458 H LEU 66 H LEU 66 7.958 -4.019 -1.539 459 HA LEU 66 HA LEU 66 10.835 -3.631 -1.530 460 HB2 LEU 66 1HB LEU 66 9.094 -4.921 0.562 461 HB3 LEU 66 2HB LEU 66 10.754 -4.364 0.762 462 HG LEU 66 HG LEU 66 8.665 -2.379 0.002 463 HD11 LEU 66 1HD1 LEU 66 9.103 -3.258 2.847 464 HD12 LEU 66 2HD1 LEU 66 7.730 -3.768 1.865 465 HD13 LEU 66 3HD1 LEU 66 7.954 -2.061 2.248 466 HD21 LEU 66 1HD2 LEU 66 10.273 -1.308 1.925 467 HD22 LEU 66 2HD2 LEU 66 10.549 -1.179 0.188 468 HD23 LEU 66 3HD2 LEU 66 11.370 -2.431 1.121 469 H SER 67 H SER 67 12.341 -5.180 -1.791 470 HA SER 67 HA SER 67 11.705 -7.981 -1.577 471 HB2 SER 67 1HB SER 67 12.394 -8.507 -3.921 472 HB3 SER 67 2HB SER 67 10.880 -7.607 -3.823 473 HG SER 67 HG SER 67 12.568 -5.733 -4.006 474 H SER 68 H SER 68 13.537 -9.300 -1.474 475 HA SER 68 HA SER 68 16.011 -7.840 -0.948 476 HB2 SER 68 1HB SER 68 15.012 -9.530 0.686 477 HB3 SER 68 2HB SER 68 15.518 -10.777 -0.454 478 HG SER 68 HG SER 68 17.226 -10.593 0.859 479 H GLY 69 H GLY 69 18.063 -8.665 -1.728 480 HA2 GLY 69 1HA GLY 69 17.861 -10.279 -4.183 481 HA3 GLY 69 2HA GLY 69 18.673 -8.721 -4.232 482 HA PRO 70 HA PRO 70 21.320 -11.810 -1.558 483 HB2 PRO 70 1HB PRO 70 20.881 -14.428 -2.130 484 HB3 PRO 70 2HB PRO 70 20.027 -13.570 -0.842 485 HG2 PRO 70 1HG PRO 70 19.119 -14.203 -3.624 486 HG3 PRO 70 2HG PRO 70 18.219 -14.319 -2.100 487 HD2 PRO 70 1HD PRO 70 17.924 -12.242 -3.812 488 HD3 PRO 70 2HD PRO 70 17.761 -12.060 -2.053 489 H SER 71 H SER 71 20.321 -12.792 -4.816 490 HA SER 71 HA SER 71 22.571 -14.026 -5.753 491 HB2 SER 71 1HB SER 71 20.332 -13.427 -6.953 492 HB3 SER 71 2HB SER 71 21.203 -11.988 -7.483 493 HG SER 71 HG SER 71 21.807 -13.316 -9.020 494 H SER 72 H SER 72 21.952 -10.518 -5.872 495 HA SER 72 HA SER 72 24.682 -9.991 -6.671 496 HB2 SER 72 1HB SER 72 22.224 -8.330 -6.264 497 HB3 SER 72 2HB SER 72 23.800 -7.538 -6.287 498 HG SER 72 HG SER 72 23.681 -7.668 -8.370 499 H GLY 73 H GLY 73 25.747 -8.042 -5.447 500 HA2 GLY 73 1HA GLY 73 25.369 -7.518 -2.769 501 HA3 GLY 73 2HA GLY 73 26.330 -8.988 -2.817 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -8.911 -27.719 2.721 2 HA2 GLY 1 1HA GLY 1 -6.568 -26.980 2.298 3 HA3 GLY 1 2HA GLY 1 -7.157 -26.378 0.755 4 H SER 2 H SER 2 -6.129 -24.374 1.588 5 HA SER 2 HA SER 2 -7.322 -22.993 3.783 6 HB2 SER 2 1HB SER 2 -5.957 -21.096 3.080 7 HB3 SER 2 2HB SER 2 -4.996 -22.574 3.039 8 HG SER 2 HG SER 2 -6.238 -21.319 0.814 9 H SER 3 H SER 3 -7.605 -22.749 0.257 10 HA SER 3 HA SER 3 -9.121 -21.715 -1.091 11 HB2 SER 3 1HB SER 3 -10.730 -22.655 1.243 12 HB3 SER 3 2HB SER 3 -11.509 -21.600 0.064 13 HG SER 3 HG SER 3 -10.035 -23.755 -0.911 14 H GLY 4 H GLY 4 -7.475 -19.960 0.299 15 HA2 GLY 4 1HA GLY 4 -9.141 -17.584 0.267 16 HA3 GLY 4 2HA GLY 4 -8.397 -17.948 1.817 17 H SER 5 H SER 5 -7.667 -15.627 1.007 18 HA SER 5 HA SER 5 -5.584 -15.472 -0.893 19 HB2 SER 5 1HB SER 5 -6.626 -13.694 1.268 20 HB3 SER 5 2HB SER 5 -5.042 -13.331 0.584 21 HG SER 5 HG SER 5 -5.949 -13.009 -1.378 22 H SER 6 H SER 6 -4.016 -17.007 -0.559 23 HA SER 6 HA SER 6 -2.673 -17.117 2.030 24 HB2 SER 6 1HB SER 6 -1.515 -19.080 1.127 25 HB3 SER 6 2HB SER 6 -3.259 -19.238 0.912 26 HG SER 6 HG SER 6 -1.287 -19.140 -0.955 27 H GLY 7 H GLY 7 -0.958 -15.895 2.424 28 HA2 GLY 7 1HA GLY 7 1.401 -15.539 1.613 29 HA3 GLY 7 2HA GLY 7 0.654 -14.973 0.126 30 H VAL 8 H VAL 8 2.172 -13.136 0.839 31 HA VAL 8 HA VAL 8 0.510 -11.025 1.851 32 HB VAL 8 HB VAL 8 1.158 -11.691 4.005 33 HG11 VAL 8 1HG1 VAL 8 3.601 -12.090 4.562 34 HG12 VAL 8 2HG1 VAL 8 2.804 -13.329 3.589 35 HG13 VAL 8 3HG1 VAL 8 3.882 -12.162 2.822 36 HG21 VAL 8 1HG2 VAL 8 2.582 -9.900 4.806 37 HG22 VAL 8 2HG2 VAL 8 3.190 -9.619 3.174 38 HG23 VAL 8 3HG2 VAL 8 1.499 -9.291 3.554 39 H CYS 9 H CYS 9 1.432 -8.930 1.542 40 HA CYS 9 HA CYS 9 3.985 -8.796 0.137 41 HB2 CYS 9 1HB CYS 9 1.342 -7.940 -1.040 42 HB3 CYS 9 2HB CYS 9 2.881 -7.320 -1.624 43 HG CYS 9 HG CYS 9 1.760 -10.543 -1.777 44 H PHE 10 H PHE 10 5.100 -6.977 0.570 45 HA PHE 10 HA PHE 10 3.686 -4.839 2.024 46 HB2 PHE 10 1HB PHE 10 6.458 -5.954 2.461 47 HB3 PHE 10 2HB PHE 10 5.912 -4.435 3.164 48 HD1 PHE 10 1HD PHE 10 3.962 -4.462 4.745 49 HD2 PHE 10 2HD PHE 10 5.918 -8.011 3.445 50 HE1 PHE 10 1HE PHE 10 2.993 -5.688 6.645 51 HE2 PHE 10 2HE PHE 10 4.952 -9.243 5.343 52 HZ PHE 10 HZ PHE 10 3.486 -8.082 6.945 53 H VAL 11 H VAL 11 4.258 -2.709 1.594 54 HA VAL 11 HA VAL 11 6.159 -2.253 -0.598 55 HB VAL 11 HB VAL 11 4.656 -0.713 -1.709 56 HG11 VAL 11 1HG1 VAL 11 4.485 -2.877 -2.590 57 HG12 VAL 11 2HG1 VAL 11 3.586 -3.471 -1.192 58 HG13 VAL 11 3HG1 VAL 11 2.815 -2.371 -2.335 59 HG21 VAL 11 1HG2 VAL 11 3.214 0.294 -0.289 60 HG22 VAL 11 2HG2 VAL 11 2.144 -1.012 -0.798 61 HG23 VAL 11 3HG2 VAL 11 3.033 -1.141 0.720 62 H LYS 12 H LYS 12 7.170 -0.239 -0.600 63 HA LYS 12 HA LYS 12 6.953 1.219 1.940 64 HB2 LYS 12 1HB LYS 12 9.163 0.175 0.971 65 HB3 LYS 12 2HB LYS 12 9.187 1.637 -0.007 66 HG2 LYS 12 1HG LYS 12 9.214 3.013 1.973 67 HG3 LYS 12 2HG LYS 12 9.054 1.587 3.001 68 HD2 LYS 12 1HD LYS 12 11.337 2.080 3.070 69 HD3 LYS 12 2HD LYS 12 11.219 0.781 1.881 70 HE2 LYS 12 1HE LYS 12 11.540 2.238 0.085 71 HE3 LYS 12 2HE LYS 12 11.129 3.659 1.044 72 HZ1 LYS 12 1HZ LYS 12 13.528 3.437 0.570 73 HZ2 LYS 12 2HZ LYS 12 13.557 2.006 1.470 74 HZ3 LYS 12 3HZ LYS 12 13.182 3.472 2.226 75 H ALA 13 H ALA 13 6.146 3.212 1.991 76 HA ALA 13 HA ALA 13 5.092 4.437 -0.346 77 HB1 ALA 13 1HB ALA 13 4.896 6.421 1.408 78 HB2 ALA 13 2HB ALA 13 3.826 5.019 1.451 79 HB3 ALA 13 3HB ALA 13 5.210 5.105 2.540 80 H LEU 14 H LEU 14 6.552 5.080 -1.844 81 HA LEU 14 HA LEU 14 9.099 6.081 -1.419 82 HB2 LEU 14 1HB LEU 14 7.177 6.708 -3.654 83 HB3 LEU 14 2HB LEU 14 8.901 7.071 -3.679 84 HG LEU 14 HG LEU 14 7.922 4.257 -3.337 85 HD11 LEU 14 1HD1 LEU 14 6.857 5.231 -5.354 86 HD12 LEU 14 2HD1 LEU 14 7.991 3.929 -5.712 87 HD13 LEU 14 3HD1 LEU 14 8.465 5.607 -5.975 88 HD21 LEU 14 1HD2 LEU 14 10.092 3.802 -3.333 89 HD22 LEU 14 2HD2 LEU 14 10.444 5.528 -3.420 90 HD23 LEU 14 3HD2 LEU 14 10.282 4.585 -4.902 91 H TYR 15 H TYR 15 6.013 7.786 -1.541 92 HA TYR 15 HA TYR 15 7.400 10.206 -0.591 93 HB2 TYR 15 1HB TYR 15 4.873 10.124 -2.249 94 HB3 TYR 15 2HB TYR 15 5.745 11.564 -1.735 95 HD1 TYR 15 1HD TYR 15 5.872 8.615 -3.952 96 HD2 TYR 15 2HD TYR 15 7.652 12.343 -2.934 97 HE1 TYR 15 1HE TYR 15 7.203 8.537 -6.019 98 HE2 TYR 15 2HE TYR 15 8.987 12.276 -4.998 99 HH TYR 15 HH TYR 15 8.342 10.454 -7.548 100 H ASP 16 H ASP 16 5.957 11.681 0.673 101 HA ASP 16 HA ASP 16 4.631 10.155 2.728 102 HB2 ASP 16 1HB ASP 16 4.228 12.559 3.644 103 HB3 ASP 16 2HB ASP 16 5.866 11.911 3.629 104 H TYR 17 H TYR 17 2.615 9.479 2.433 105 HA TYR 17 HA TYR 17 0.778 11.008 0.770 106 HB2 TYR 17 1HB TYR 17 1.070 8.456 0.684 107 HB3 TYR 17 2HB TYR 17 0.148 8.423 2.183 108 HD1 TYR 17 1HD TYR 17 -2.128 9.788 2.087 109 HD2 TYR 17 2HD TYR 17 -0.079 8.241 -1.306 110 HE1 TYR 17 1HE TYR 17 -4.225 9.845 0.803 111 HE2 TYR 17 2HE TYR 17 -2.170 8.296 -2.600 112 HH TYR 17 HH TYR 17 -4.367 8.652 -2.535 113 H GLU 18 H GLU 18 -0.605 12.424 1.585 114 HA GLU 18 HA GLU 18 -1.225 12.294 4.458 115 HB2 GLU 18 1HB GLU 18 -0.908 14.538 2.524 116 HB3 GLU 18 2HB GLU 18 -2.057 14.745 3.839 117 HG2 GLU 18 1HG GLU 18 -0.002 13.885 5.271 118 HG3 GLU 18 2HG GLU 18 0.898 14.551 3.910 119 H GLY 19 H GLY 19 -2.868 10.684 4.081 120 HA2 GLY 19 1HA GLY 19 -5.014 10.819 2.369 121 HA3 GLY 19 2HA GLY 19 -5.094 10.115 3.978 122 H GLN 20 H GLN 20 -6.678 12.139 2.079 123 HA GLN 20 HA GLN 20 -7.055 14.415 3.763 124 HB2 GLN 20 1HB GLN 20 -8.628 13.347 1.418 125 HB3 GLN 20 2HB GLN 20 -9.018 14.850 2.243 126 HG2 GLN 20 1HG GLN 20 -7.749 15.275 0.226 127 HG3 GLN 20 2HG GLN 20 -6.832 15.750 1.655 128 HE21 GLN 20 1HE2 GLN 20 -4.768 15.398 1.272 129 HE22 GLN 20 2HE2 GLN 20 -4.093 13.971 0.571 130 H THR 21 H THR 21 -8.765 11.375 3.259 131 HA THR 21 HA THR 21 -10.442 12.016 5.597 132 HB THR 21 HB THR 21 -12.145 10.441 4.588 133 HG1 THR 21 1HG THR 21 -10.341 9.817 2.940 134 HG21 THR 21 1HG2 THR 21 -11.538 12.925 2.981 135 HG22 THR 21 2HG2 THR 21 -12.370 12.906 4.536 136 HG23 THR 21 3HG2 THR 21 -13.102 12.127 3.134 137 H ASP 22 H ASP 22 -11.459 9.839 6.443 138 HA ASP 22 HA ASP 22 -9.294 8.280 7.415 139 HB2 ASP 22 1HB ASP 22 -11.054 6.919 8.503 140 HB3 ASP 22 2HB ASP 22 -11.274 8.645 8.780 141 H ASP 23 H ASP 23 -11.812 7.713 5.002 142 HA ASP 23 HA ASP 23 -11.509 5.043 4.480 143 HB2 ASP 23 1HB ASP 23 -11.947 5.784 2.004 144 HB3 ASP 23 2HB ASP 23 -13.185 6.041 3.230 145 H GLU 24 H GLU 24 -9.443 7.694 3.404 146 HA GLU 24 HA GLU 24 -7.756 5.951 1.839 147 HB2 GLU 24 1HB GLU 24 -7.654 8.870 2.558 148 HB3 GLU 24 2HB GLU 24 -6.311 8.081 1.744 149 HG2 GLU 24 1HG GLU 24 -7.951 7.370 -0.028 150 HG3 GLU 24 2HG GLU 24 -9.117 8.447 0.739 151 H LEU 25 H LEU 25 -5.254 6.402 2.269 152 HA LEU 25 HA LEU 25 -4.774 5.879 5.129 153 HB2 LEU 25 1HB LEU 25 -4.528 3.978 3.334 154 HB3 LEU 25 2HB LEU 25 -2.985 4.768 3.019 155 HG LEU 25 HG LEU 25 -2.442 4.453 5.454 156 HD11 LEU 25 1HD1 LEU 25 -5.001 4.018 5.892 157 HD12 LEU 25 2HD1 LEU 25 -3.758 3.235 6.868 158 HD13 LEU 25 3HD1 LEU 25 -4.540 2.348 5.559 159 HD21 LEU 25 1HD2 LEU 25 -1.309 2.661 4.789 160 HD22 LEU 25 2HD2 LEU 25 -2.245 2.702 3.294 161 HD23 LEU 25 3HD2 LEU 25 -2.786 1.706 4.646 162 H SER 26 H SER 26 -3.202 7.020 6.108 163 HA SER 26 HA SER 26 -1.582 8.810 4.416 164 HB2 SER 26 1HB SER 26 -1.598 10.422 6.239 165 HB3 SER 26 2HB SER 26 -3.256 9.984 5.830 166 HG SER 26 HG SER 26 -1.825 9.531 8.140 167 H PHE 27 H PHE 27 0.474 8.224 4.344 168 HA PHE 27 HA PHE 27 1.761 7.277 6.809 169 HB2 PHE 27 1HB PHE 27 3.152 5.836 5.042 170 HB3 PHE 27 2HB PHE 27 1.686 5.225 5.803 171 HD1 PHE 27 2HD PHE 27 2.953 6.914 2.756 172 HD2 PHE 27 1HD PHE 27 -0.152 4.595 4.515 173 HE1 PHE 27 2HE PHE 27 1.944 6.587 0.536 174 HE2 PHE 27 1HE PHE 27 -1.166 4.264 2.298 175 HZ PHE 27 HZ PHE 27 -0.119 5.262 0.305 176 HA PRO 28 HA PRO 28 4.834 10.276 5.861 177 HB2 PRO 28 1HB PRO 28 6.932 9.220 7.223 178 HB3 PRO 28 2HB PRO 28 5.562 10.000 8.023 179 HG2 PRO 28 1HG PRO 28 6.103 7.085 7.607 180 HG3 PRO 28 2HG PRO 28 5.500 7.916 9.053 181 HD2 PRO 28 1HD PRO 28 3.869 6.582 7.351 182 HD3 PRO 28 2HD PRO 28 3.344 8.024 8.244 183 H GLU 29 H GLU 29 6.888 10.564 4.785 184 HA GLU 29 HA GLU 29 7.195 8.956 2.504 185 HB2 GLU 29 1HB GLU 29 7.879 11.309 2.576 186 HB3 GLU 29 2HB GLU 29 9.145 10.914 3.731 187 HG2 GLU 29 1HG GLU 29 10.440 9.839 2.147 188 HG3 GLU 29 2HG GLU 29 9.075 9.577 1.062 189 H GLY 30 H GLY 30 7.656 6.837 2.790 190 HA2 GLY 30 1HA GLY 30 9.460 5.250 2.808 191 HA3 GLY 30 2HA GLY 30 10.253 6.227 4.035 192 H ALA 31 H ALA 31 6.935 4.964 3.825 193 HA ALA 31 HA ALA 31 7.392 3.640 6.419 194 HB1 ALA 31 1HB ALA 31 5.570 5.596 5.886 195 HB2 ALA 31 2HB ALA 31 4.607 4.134 5.664 196 HB3 ALA 31 3HB ALA 31 5.439 4.418 7.193 197 H ILE 32 H ILE 32 6.436 1.596 6.774 198 HA ILE 32 HA ILE 32 6.189 0.016 4.342 199 HB ILE 32 HB ILE 32 6.265 -0.857 7.232 200 HG12 ILE 32 1HG1 ILE 32 8.374 0.141 6.469 201 HG13 ILE 32 2HG1 ILE 32 8.551 -1.593 6.715 202 HG21 ILE 32 1HG2 ILE 32 6.192 -2.410 4.660 203 HG22 ILE 32 2HG2 ILE 32 6.771 -3.104 6.174 204 HG23 ILE 32 3HG2 ILE 32 5.107 -2.533 6.045 205 HD11 ILE 32 1HD1 ILE 32 9.507 -1.588 4.707 206 HD12 ILE 32 2HD1 ILE 32 7.867 -1.441 4.074 207 HD13 ILE 32 3HD1 ILE 32 8.857 0.000 4.301 208 H ILE 33 H ILE 33 4.381 -1.063 3.696 209 HA ILE 33 HA ILE 33 1.966 -0.802 5.354 210 HB ILE 33 HB ILE 33 2.021 -0.375 2.365 211 HG12 ILE 33 1HG1 ILE 33 1.362 1.748 4.382 212 HG13 ILE 33 2HG1 ILE 33 3.040 1.432 3.953 213 HG21 ILE 33 1HG2 ILE 33 -0.325 0.626 3.576 214 HG22 ILE 33 2HG2 ILE 33 -0.166 -0.726 2.456 215 HG23 ILE 33 3HG2 ILE 33 -0.072 -1.006 4.194 216 HD11 ILE 33 1HD1 ILE 33 1.189 1.786 1.696 217 HD12 ILE 33 2HD1 ILE 33 1.482 3.211 2.693 218 HD13 ILE 33 3HD1 ILE 33 2.834 2.378 1.927 219 H ARG 34 H ARG 34 0.690 -2.571 5.440 220 HA ARG 34 HA ARG 34 1.671 -4.980 4.144 221 HB2 ARG 34 1HB ARG 34 1.097 -5.005 6.548 222 HB3 ARG 34 2HB ARG 34 -0.570 -4.621 6.141 223 HG2 ARG 34 1HG ARG 34 -0.647 -6.745 4.822 224 HG3 ARG 34 2HG ARG 34 0.941 -7.136 5.485 225 HD2 ARG 34 1HD ARG 34 0.087 -7.184 7.707 226 HD3 ARG 34 2HD ARG 34 -1.456 -6.503 7.193 227 HE ARG 34 HE ARG 34 -1.252 -8.820 5.781 228 HH11 ARG 34 2HH1 ARG 34 -1.079 -7.997 9.159 229 HH12 ARG 34 1HH1 ARG 34 -1.707 -9.520 9.696 230 HH21 ARG 34 2HH2 ARG 34 -2.080 -10.829 6.476 231 HH22 ARG 34 1HH2 ARG 34 -2.275 -11.130 8.169 232 H ILE 35 H ILE 35 1.032 -5.150 2.074 233 HA ILE 35 HA ILE 35 -1.414 -4.168 1.051 234 HB ILE 35 HB ILE 35 0.450 -6.249 -0.097 235 HG12 ILE 35 1HG1 ILE 35 1.487 -4.042 0.251 236 HG13 ILE 35 2HG1 ILE 35 1.306 -4.407 -1.461 237 HG21 ILE 35 1HG2 ILE 35 -1.951 -6.221 -0.949 238 HG22 ILE 35 2HG2 ILE 35 -1.571 -4.638 -1.624 239 HG23 ILE 35 3HG2 ILE 35 -0.671 -6.060 -2.151 240 HD11 ILE 35 1HD1 ILE 35 0.175 -2.536 -1.762 241 HD12 ILE 35 2HD1 ILE 35 -1.012 -3.020 -0.550 242 HD13 ILE 35 3HD1 ILE 35 0.433 -2.133 -0.065 243 H LEU 36 H LEU 36 -3.173 -4.943 2.163 244 HA LEU 36 HA LEU 36 -3.551 -7.719 2.725 245 HB2 LEU 36 1HB LEU 36 -5.474 -5.400 2.765 246 HB3 LEU 36 2HB LEU 36 -5.850 -7.020 3.347 247 HG LEU 36 HG LEU 36 -3.561 -5.475 4.511 248 HD11 LEU 36 1HD1 LEU 36 -5.905 -4.262 4.483 249 HD12 LEU 36 2HD1 LEU 36 -4.874 -4.247 5.913 250 HD13 LEU 36 3HD1 LEU 36 -6.229 -5.372 5.815 251 HD21 LEU 36 1HD2 LEU 36 -3.458 -7.588 5.363 252 HD22 LEU 36 2HD2 LEU 36 -5.195 -7.858 5.210 253 HD23 LEU 36 3HD2 LEU 36 -4.569 -6.860 6.524 254 H ASN 37 H ASN 37 -4.820 -5.473 0.297 255 HA ASN 37 HA ASN 37 -5.429 -7.741 -1.428 256 HB2 ASN 37 1HB ASN 37 -7.480 -5.663 -0.635 257 HB3 ASN 37 2HB ASN 37 -7.685 -6.805 -1.960 258 HD21 ASN 37 1HD2 ASN 37 -8.799 -6.274 0.921 259 HD22 ASN 37 2HD2 ASN 37 -8.944 -7.876 1.553 260 H LYS 38 H LYS 38 -4.774 -7.347 -3.437 261 HA LYS 38 HA LYS 38 -4.607 -4.556 -4.351 262 HB2 LYS 38 1HB LYS 38 -2.513 -5.386 -5.636 263 HB3 LYS 38 2HB LYS 38 -2.359 -4.982 -3.931 264 HG2 LYS 38 1HG LYS 38 -1.261 -6.963 -3.932 265 HG3 LYS 38 2HG LYS 38 -2.899 -7.560 -3.653 266 HD2 LYS 38 1HD LYS 38 -2.273 -8.933 -5.371 267 HD3 LYS 38 2HD LYS 38 -2.956 -7.593 -6.296 268 HE2 LYS 38 1HE LYS 38 -0.546 -6.655 -6.261 269 HE3 LYS 38 2HE LYS 38 -0.081 -8.300 -5.829 270 HZ1 LYS 38 1HZ LYS 38 -1.212 -9.076 -7.846 271 HZ2 LYS 38 2HZ LYS 38 0.051 -8.007 -8.197 272 HZ3 LYS 38 3HZ LYS 38 -1.553 -7.475 -8.273 273 H GLU 39 H GLU 39 -6.452 -6.936 -4.787 274 HA GLU 39 HA GLU 39 -6.145 -7.241 -7.691 275 HB2 GLU 39 1HB GLU 39 -7.618 -8.825 -5.604 276 HB3 GLU 39 2HB GLU 39 -8.014 -8.987 -7.309 277 HG2 GLU 39 1HG GLU 39 -5.592 -9.524 -7.710 278 HG3 GLU 39 2HG GLU 39 -5.403 -9.607 -5.960 279 H ASN 40 H ASN 40 -6.984 -5.302 -8.417 280 HA ASN 40 HA ASN 40 -9.872 -4.948 -7.973 281 HB2 ASN 40 1HB ASN 40 -9.109 -3.102 -6.822 282 HB3 ASN 40 2HB ASN 40 -7.664 -2.946 -7.817 283 HD21 ASN 40 1HD2 ASN 40 -10.870 -1.942 -7.311 284 HD22 ASN 40 2HD2 ASN 40 -11.005 -0.888 -8.673 285 H GLN 41 H GLN 41 -10.953 -3.728 -9.727 286 HA GLN 41 HA GLN 41 -9.664 -4.248 -12.325 287 HB2 GLN 41 1HB GLN 41 -11.574 -5.758 -11.833 288 HB3 GLN 41 2HB GLN 41 -12.619 -4.350 -11.699 289 HG2 GLN 41 1HG GLN 41 -12.972 -5.229 -13.849 290 HG3 GLN 41 2HG GLN 41 -11.978 -3.789 -14.066 291 HE21 GLN 41 1HE2 GLN 41 -11.682 -7.291 -13.612 292 HE22 GLN 41 2HE2 GLN 41 -10.346 -7.493 -14.689 293 H ASP 42 H ASP 42 -12.051 -2.213 -10.657 294 HA ASP 42 HA ASP 42 -12.744 -0.342 -12.423 295 HB2 ASP 42 1HB ASP 42 -11.602 0.553 -9.782 296 HB3 ASP 42 2HB ASP 42 -12.962 1.232 -10.672 297 H ASP 43 H ASP 43 -11.933 1.594 -13.289 298 HA ASP 43 HA ASP 43 -9.278 1.496 -14.202 299 HB2 ASP 43 1HB ASP 43 -10.972 3.992 -14.105 300 HB3 ASP 43 2HB ASP 43 -9.709 3.585 -15.262 301 H ASP 44 H ASP 44 -10.619 2.683 -11.287 302 HA ASP 44 HA ASP 44 -8.955 4.752 -10.553 303 HB2 ASP 44 1HB ASP 44 -10.002 2.524 -8.793 304 HB3 ASP 44 2HB ASP 44 -9.361 4.059 -8.214 305 H GLY 45 H GLY 45 -8.418 1.306 -9.772 306 HA2 GLY 45 1HA GLY 45 -6.430 0.116 -9.728 307 HA3 GLY 45 2HA GLY 45 -5.596 1.555 -10.296 308 H PHE 46 H PHE 46 -7.510 0.815 -7.381 309 HA PHE 46 HA PHE 46 -5.212 1.735 -5.781 310 HB2 PHE 46 1HB PHE 46 -8.172 2.090 -5.304 311 HB3 PHE 46 2HB PHE 46 -6.963 2.361 -4.053 312 HD1 PHE 46 2HD PHE 46 -7.442 3.308 -7.635 313 HD2 PHE 46 1HD PHE 46 -6.420 4.551 -3.694 314 HE1 PHE 46 2HE PHE 46 -7.125 5.609 -8.446 315 HE2 PHE 46 1HE PHE 46 -6.103 6.854 -4.499 316 HZ PHE 46 HZ PHE 46 -6.454 7.385 -6.878 317 H TRP 47 H TRP 47 -4.820 0.682 -3.790 318 HA TRP 47 HA TRP 47 -6.062 -1.983 -3.580 319 HB2 TRP 47 1HB TRP 47 -3.214 -1.170 -2.965 320 HB3 TRP 47 2HB TRP 47 -3.898 -2.756 -2.620 321 HD1 TRP 47 HD TRP 47 -5.517 -2.526 -5.620 322 HE1 TRP 47 1HE TRP 47 -4.133 -3.258 -7.663 323 HE3 TRP 47 3HE TRP 47 -0.837 -2.208 -3.586 324 HZ2 TRP 47 2HZ TRP 47 -1.417 -3.650 -8.325 325 HZ3 TRP 47 3HZ TRP 47 1.101 -2.780 -4.991 326 HH2 TRP 47 HH TRP 47 0.814 -3.486 -7.311 327 H GLU 48 H GLU 48 -5.857 -2.931 -1.337 328 HA GLU 48 HA GLU 48 -6.347 -0.820 0.659 329 HB2 GLU 48 1HB GLU 48 -8.214 -2.514 -0.127 330 HB3 GLU 48 2HB GLU 48 -7.409 -3.591 1.005 331 HG2 GLU 48 1HG GLU 48 -7.963 -2.299 2.836 332 HG3 GLU 48 2HG GLU 48 -8.211 -0.849 1.866 333 H GLY 49 H GLY 49 -5.097 -0.773 2.421 334 HA2 GLY 49 1HA GLY 49 -3.773 -3.192 3.355 335 HA3 GLY 49 2HA GLY 49 -2.715 -1.911 2.783 336 H GLU 50 H GLU 50 -2.594 -2.865 5.387 337 HA GLU 50 HA GLU 50 -3.832 -0.707 6.959 338 HB2 GLU 50 1HB GLU 50 -4.341 -3.104 7.574 339 HB3 GLU 50 2HB GLU 50 -2.648 -3.274 8.018 340 HG2 GLU 50 1HG GLU 50 -2.880 -1.590 9.726 341 HG3 GLU 50 2HG GLU 50 -4.544 -1.279 9.234 342 H PHE 51 H PHE 51 -2.582 0.813 7.829 343 HA PHE 51 HA PHE 51 0.330 0.374 7.833 344 HB2 PHE 51 1HB PHE 51 -0.044 2.132 6.329 345 HB3 PHE 51 2HB PHE 51 -1.325 2.827 7.316 346 HD1 PHE 51 2HD PHE 51 2.304 2.006 7.638 347 HD2 PHE 51 1HD PHE 51 -0.834 4.781 8.398 348 HE1 PHE 51 2HE PHE 51 3.926 3.562 8.639 349 HE2 PHE 51 1HE PHE 51 0.784 6.341 9.399 350 HZ PHE 51 HZ PHE 51 3.167 5.732 9.522 351 H ASN 52 H ASN 52 -1.765 2.766 9.420 352 HA ASN 52 HA ASN 52 -0.516 2.018 11.981 353 HB2 ASN 52 1HB ASN 52 -0.072 4.348 11.039 354 HB3 ASN 52 2HB ASN 52 -1.768 4.692 11.361 355 HD21 ASN 52 1HD2 ASN 52 0.031 6.245 12.555 356 HD22 ASN 52 2HD2 ASN 52 0.148 5.886 14.241 357 H GLY 53 H GLY 53 -2.128 0.393 12.328 358 HA2 GLY 53 1HA GLY 53 -4.132 -0.415 13.114 359 HA3 GLY 53 2HA GLY 53 -4.199 1.100 14.003 360 H ARG 54 H ARG 54 -4.106 1.396 10.599 361 HA ARG 54 HA ARG 54 -7.022 1.519 10.392 362 HB2 ARG 54 1HB ARG 54 -7.066 3.723 9.526 363 HB3 ARG 54 2HB ARG 54 -6.076 3.798 10.978 364 HG2 ARG 54 1HG ARG 54 -4.068 3.568 9.447 365 HG3 ARG 54 2HG ARG 54 -5.184 3.874 8.114 366 HD2 ARG 54 1HD ARG 54 -4.345 5.986 8.605 367 HD3 ARG 54 2HD ARG 54 -5.884 5.951 9.465 368 HE ARG 54 HE ARG 54 -3.774 5.077 11.143 369 HH11 ARG 54 2HH1 ARG 54 -5.162 7.937 9.725 370 HH12 ARG 54 1HH1 ARG 54 -4.607 8.990 10.984 371 HH21 ARG 54 2HH2 ARG 54 -3.038 6.452 12.807 372 HH22 ARG 54 1HH2 ARG 54 -3.398 8.144 12.737 373 H ILE 55 H ILE 55 -7.826 1.091 8.364 374 HA ILE 55 HA ILE 55 -5.834 0.428 6.294 375 HB ILE 55 HB ILE 55 -8.439 -0.997 6.846 376 HG12 ILE 55 1HG1 ILE 55 -6.589 -2.909 7.084 377 HG13 ILE 55 2HG1 ILE 55 -5.595 -1.533 7.550 378 HG21 ILE 55 1HG2 ILE 55 -7.986 -2.403 5.022 379 HG22 ILE 55 2HG2 ILE 55 -7.676 -0.773 4.426 380 HG23 ILE 55 3HG2 ILE 55 -6.329 -1.818 4.874 381 HD11 ILE 55 1HD1 ILE 55 -8.066 -2.583 8.879 382 HD12 ILE 55 2HD1 ILE 55 -6.445 -2.395 9.549 383 HD13 ILE 55 3HD1 ILE 55 -7.430 -0.972 9.211 384 H GLY 56 H GLY 56 -5.998 1.663 4.550 385 HA2 GLY 56 1HA GLY 56 -8.679 2.630 3.772 386 HA3 GLY 56 2HA GLY 56 -7.275 3.687 3.742 387 H VAL 57 H VAL 57 -7.675 4.064 1.506 388 HA VAL 57 HA VAL 57 -6.728 1.858 -0.202 389 HB VAL 57 HB VAL 57 -8.183 2.670 -2.011 390 HG11 VAL 57 1HG1 VAL 57 -8.883 1.103 0.115 391 HG12 VAL 57 2HG1 VAL 57 -10.198 2.279 0.071 392 HG13 VAL 57 3HG1 VAL 57 -9.835 1.307 -1.355 393 HG21 VAL 57 1HG2 VAL 57 -8.832 4.733 0.013 394 HG22 VAL 57 2HG2 VAL 57 -8.703 4.867 -1.741 395 HG23 VAL 57 3HG2 VAL 57 -10.149 4.166 -1.014 396 H PHE 58 H PHE 58 -5.040 2.337 -1.456 397 HA PHE 58 HA PHE 58 -4.359 5.178 -1.840 398 HB2 PHE 58 1HB PHE 58 -1.946 4.133 -2.052 399 HB3 PHE 58 2HB PHE 58 -2.632 4.501 -0.472 400 HD1 PHE 58 2HD PHE 58 -4.038 2.510 0.576 401 HD2 PHE 58 1HD PHE 58 -0.981 2.079 -2.354 402 HE1 PHE 58 2HE PHE 58 -3.717 0.168 1.259 403 HE2 PHE 58 1HE PHE 58 -0.656 -0.264 -1.676 404 HZ PHE 58 HZ PHE 58 -2.024 -1.222 0.134 405 HA PRO 59 HA PRO 59 -4.220 4.544 -6.178 406 HB2 PRO 59 1HB PRO 59 -2.109 6.083 -6.918 407 HB3 PRO 59 2HB PRO 59 -3.652 6.761 -6.384 408 HG2 PRO 59 1HG PRO 59 -1.112 6.388 -4.844 409 HG3 PRO 59 2HG PRO 59 -2.215 7.777 -4.864 410 HD2 PRO 59 1HD PRO 59 -2.227 5.936 -2.879 411 HD3 PRO 59 2HD PRO 59 -3.696 6.782 -3.405 412 H SER 60 H SER 60 -1.883 3.286 -4.178 413 HA SER 60 HA SER 60 -0.137 1.834 -4.423 414 HB2 SER 60 1HB SER 60 -0.620 -0.068 -5.736 415 HB3 SER 60 2HB SER 60 -2.202 0.574 -5.295 416 HG SER 60 HG SER 60 -2.591 0.957 -7.324 417 H VAL 61 H VAL 61 0.105 4.423 -5.790 418 HA VAL 61 HA VAL 61 2.022 3.642 -7.891 419 HB VAL 61 HB VAL 61 1.574 5.650 -9.091 420 HG11 VAL 61 1HG1 VAL 61 -0.280 4.847 -10.030 421 HG12 VAL 61 2HG1 VAL 61 -0.324 3.668 -8.718 422 HG13 VAL 61 3HG1 VAL 61 -1.240 5.170 -8.586 423 HG21 VAL 61 1HG2 VAL 61 -0.098 6.436 -6.713 424 HG22 VAL 61 2HG2 VAL 61 1.335 7.247 -7.345 425 HG23 VAL 61 3HG2 VAL 61 -0.168 7.267 -8.267 426 H LEU 62 H LEU 62 1.465 5.364 -4.969 427 HA LEU 62 HA LEU 62 3.974 6.840 -5.168 428 HB2 LEU 62 1HB LEU 62 1.923 6.794 -2.960 429 HB3 LEU 62 2HB LEU 62 3.304 7.882 -3.071 430 HG LEU 62 HG LEU 62 1.024 7.833 -5.043 431 HD11 LEU 62 1HD1 LEU 62 1.358 9.195 -2.443 432 HD12 LEU 62 2HD1 LEU 62 -0.108 8.698 -3.288 433 HD13 LEU 62 3HD1 LEU 62 0.736 10.168 -3.776 434 HD21 LEU 62 1HD2 LEU 62 2.819 10.159 -4.654 435 HD22 LEU 62 2HD2 LEU 62 2.026 9.568 -6.114 436 HD23 LEU 62 3HD2 LEU 62 3.473 8.761 -5.507 437 H VAL 63 H VAL 63 3.342 3.786 -4.588 438 HA VAL 63 HA VAL 63 5.305 3.565 -2.399 439 HB VAL 63 HB VAL 63 4.275 1.458 -1.737 440 HG11 VAL 63 1HG1 VAL 63 2.682 3.966 -1.793 441 HG12 VAL 63 2HG1 VAL 63 1.901 2.497 -1.205 442 HG13 VAL 63 3HG1 VAL 63 3.367 3.091 -0.425 443 HG21 VAL 63 1HG2 VAL 63 3.301 0.436 -3.528 444 HG22 VAL 63 2HG2 VAL 63 1.865 1.156 -2.801 445 HG23 VAL 63 3HG2 VAL 63 2.646 1.941 -4.174 446 H GLU 64 H GLU 64 6.646 1.617 -2.458 447 HA GLU 64 HA GLU 64 7.020 0.568 -5.184 448 HB2 GLU 64 1HB GLU 64 9.378 0.758 -5.014 449 HB3 GLU 64 2HB GLU 64 8.726 2.309 -4.506 450 HG2 GLU 64 1HG GLU 64 9.091 1.772 -2.197 451 HG3 GLU 64 2HG GLU 64 9.580 0.131 -2.616 452 H GLU 65 H GLU 65 7.276 -1.585 -5.357 453 HA GLU 65 HA GLU 65 6.691 -3.252 -3.151 454 HB2 GLU 65 1HB GLU 65 7.635 -3.793 -5.955 455 HB3 GLU 65 2HB GLU 65 7.420 -5.096 -4.795 456 HG2 GLU 65 1HG GLU 65 5.125 -4.813 -4.703 457 HG3 GLU 65 2HG GLU 65 5.203 -3.165 -5.324 458 H LEU 66 H LEU 66 7.970 -4.624 -1.949 459 HA LEU 66 HA LEU 66 10.813 -3.938 -1.902 460 HB2 LEU 66 1HB LEU 66 8.979 -5.268 0.071 461 HB3 LEU 66 2HB LEU 66 10.730 -5.254 0.278 462 HG LEU 66 HG LEU 66 9.220 -2.688 -0.052 463 HD11 LEU 66 1HD1 LEU 66 8.443 -4.386 1.876 464 HD12 LEU 66 2HD1 LEU 66 8.461 -2.634 2.071 465 HD13 LEU 66 3HD1 LEU 66 9.797 -3.603 2.691 466 HD21 LEU 66 1HD2 LEU 66 11.922 -3.542 0.631 467 HD22 LEU 66 2HD2 LEU 66 11.253 -2.370 1.766 468 HD23 LEU 66 3HD2 LEU 66 11.337 -1.984 0.047 469 H SER 67 H SER 67 12.087 -5.188 -3.095 470 HA SER 67 HA SER 67 11.363 -7.885 -3.788 471 HB2 SER 67 1HB SER 67 13.968 -6.435 -4.310 472 HB3 SER 67 2HB SER 67 13.391 -7.891 -5.121 473 HG SER 67 HG SER 67 11.528 -6.498 -5.735 474 H SER 68 H SER 68 11.288 -8.872 -1.713 475 HA SER 68 HA SER 68 13.788 -10.041 -0.933 476 HB2 SER 68 1HB SER 68 13.633 -9.302 1.457 477 HB3 SER 68 2HB SER 68 14.019 -7.997 0.335 478 HG SER 68 HG SER 68 12.101 -7.995 2.064 479 H GLY 69 H GLY 69 13.503 -11.684 0.776 480 HA2 GLY 69 1HA GLY 69 10.884 -12.948 0.478 481 HA3 GLY 69 2HA GLY 69 12.350 -13.721 1.065 482 HA PRO 70 HA PRO 70 9.431 -12.353 4.566 483 HB2 PRO 70 1HB PRO 70 8.454 -14.796 5.235 484 HB3 PRO 70 2HB PRO 70 7.669 -13.738 4.058 485 HG2 PRO 70 1HG PRO 70 9.474 -16.080 3.592 486 HG3 PRO 70 2HG PRO 70 7.975 -15.638 2.754 487 HD2 PRO 70 1HD PRO 70 10.425 -15.130 1.720 488 HD3 PRO 70 2HD PRO 70 9.028 -14.074 1.428 489 H SER 71 H SER 71 11.966 -14.558 3.977 490 HA SER 71 HA SER 71 12.577 -15.898 6.197 491 HB2 SER 71 1HB SER 71 14.040 -15.278 4.082 492 HB3 SER 71 2HB SER 71 14.755 -14.110 5.194 493 HG SER 71 HG SER 71 15.431 -15.750 6.490 494 H SER 72 H SER 72 13.468 -12.459 5.855 495 HA SER 72 HA SER 72 13.736 -12.281 8.763 496 HB2 SER 72 1HB SER 72 15.012 -10.318 8.425 497 HB3 SER 72 2HB SER 72 15.516 -11.410 7.135 498 HG SER 72 HG SER 72 14.173 -9.011 6.996 499 H GLY 73 H GLY 73 12.098 -11.555 9.938 500 HA2 GLY 73 1HA GLY 73 10.206 -9.668 8.673 501 HA3 GLY 73 2HA GLY 73 9.680 -10.956 9.747 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.714 -28.333 -7.878 2 HA2 GLY 1 1HA GLY 1 -1.290 -27.429 -10.435 3 HA3 GLY 1 2HA GLY 1 -2.741 -27.151 -9.483 4 H SER 2 H SER 2 -1.851 -26.342 -7.087 5 HA SER 2 HA SER 2 0.123 -24.236 -7.475 6 HB2 SER 2 1HB SER 2 -2.283 -23.424 -8.061 7 HB3 SER 2 2HB SER 2 -2.538 -23.454 -6.316 8 HG SER 2 HG SER 2 -0.884 -21.971 -6.073 9 H SER 3 H SER 3 1.125 -23.586 -5.600 10 HA SER 3 HA SER 3 1.553 -25.251 -3.546 11 HB2 SER 3 1HB SER 3 2.707 -23.058 -3.905 12 HB3 SER 3 2HB SER 3 1.326 -22.258 -3.154 13 HG SER 3 HG SER 3 3.390 -23.646 -2.004 14 H GLY 4 H GLY 4 -0.788 -22.567 -3.256 15 HA2 GLY 4 1HA GLY 4 -3.069 -23.344 -2.486 16 HA3 GLY 4 2HA GLY 4 -2.189 -24.168 -1.208 17 H SER 5 H SER 5 -0.321 -22.207 -0.554 18 HA SER 5 HA SER 5 -2.065 -20.309 0.821 19 HB2 SER 5 1HB SER 5 -0.161 -19.891 2.286 20 HB3 SER 5 2HB SER 5 -0.434 -21.628 2.147 21 HG SER 5 HG SER 5 1.692 -21.447 1.806 22 H SER 6 H SER 6 -2.009 -18.145 0.524 23 HA SER 6 HA SER 6 -0.375 -17.169 -1.706 24 HB2 SER 6 1HB SER 6 -1.944 -15.274 -1.776 25 HB3 SER 6 2HB SER 6 -2.800 -16.812 -1.882 26 HG SER 6 HG SER 6 -2.797 -16.417 0.612 27 H GLY 7 H GLY 7 1.221 -15.730 -1.436 28 HA2 GLY 7 1HA GLY 7 1.856 -14.902 1.288 29 HA3 GLY 7 2HA GLY 7 2.913 -14.780 -0.110 30 H VAL 8 H VAL 8 1.661 -12.902 2.072 31 HA VAL 8 HA VAL 8 0.314 -10.901 0.518 32 HB VAL 8 HB VAL 8 -0.106 -11.212 2.943 33 HG11 VAL 8 1HG1 VAL 8 2.012 -9.678 4.025 34 HG12 VAL 8 2HG1 VAL 8 1.589 -11.356 4.370 35 HG13 VAL 8 3HG1 VAL 8 2.729 -10.981 3.077 36 HG21 VAL 8 1HG2 VAL 8 0.941 -8.444 2.723 37 HG22 VAL 8 2HG2 VAL 8 -0.256 -8.963 1.537 38 HG23 VAL 8 3HG2 VAL 8 -0.638 -9.018 3.258 39 H CYS 9 H CYS 9 1.081 -8.894 -0.131 40 HA CYS 9 HA CYS 9 3.996 -8.747 -0.424 41 HB2 CYS 9 1HB CYS 9 1.687 -7.767 -2.030 42 HB3 CYS 9 2HB CYS 9 3.167 -6.815 -2.067 43 HG CYS 9 HG CYS 9 2.926 -8.584 -4.309 44 H PHE 10 H PHE 10 5.101 -6.759 -0.078 45 HA PHE 10 HA PHE 10 3.667 -4.829 1.618 46 HB2 PHE 10 1HB PHE 10 6.314 -6.168 2.136 47 HB3 PHE 10 2HB PHE 10 5.902 -4.626 2.881 48 HD1 PHE 10 1HD PHE 10 4.157 -4.480 4.558 49 HD2 PHE 10 2HD PHE 10 5.218 -8.206 2.796 50 HE1 PHE 10 1HE PHE 10 2.956 -5.665 6.349 51 HE2 PHE 10 2HE PHE 10 4.018 -9.397 4.584 52 HZ PHE 10 HZ PHE 10 2.884 -8.127 6.363 53 H VAL 11 H VAL 11 4.227 -2.693 1.378 54 HA VAL 11 HA VAL 11 6.379 -2.038 -0.504 55 HB VAL 11 HB VAL 11 4.981 -0.433 -1.688 56 HG11 VAL 11 1HG1 VAL 11 3.186 -2.671 -2.040 57 HG12 VAL 11 2HG1 VAL 11 4.400 -2.016 -3.141 58 HG13 VAL 11 3HG1 VAL 11 4.863 -3.201 -1.920 59 HG21 VAL 11 1HG2 VAL 11 3.134 -1.030 0.480 60 HG22 VAL 11 2HG2 VAL 11 3.212 0.373 -0.586 61 HG23 VAL 11 3HG2 VAL 11 2.368 -1.084 -1.108 62 H LYS 12 H LYS 12 7.423 -0.127 -0.110 63 HA LYS 12 HA LYS 12 6.732 1.198 2.412 64 HB2 LYS 12 1HB LYS 12 8.989 0.374 2.344 65 HB3 LYS 12 2HB LYS 12 9.278 1.144 0.789 66 HG2 LYS 12 1HG LYS 12 8.890 3.352 1.955 67 HG3 LYS 12 2HG LYS 12 8.955 2.453 3.473 68 HD2 LYS 12 1HD LYS 12 11.149 3.096 3.267 69 HD3 LYS 12 2HD LYS 12 11.196 1.529 2.457 70 HE2 LYS 12 1HE LYS 12 11.381 2.466 0.365 71 HE3 LYS 12 2HE LYS 12 10.601 3.970 0.852 72 HZ1 LYS 12 1HZ LYS 12 13.070 4.066 0.425 73 HZ2 LYS 12 2HZ LYS 12 13.272 3.182 1.853 74 HZ3 LYS 12 3HZ LYS 12 12.547 4.710 1.900 75 H ALA 13 H ALA 13 6.338 3.367 2.559 76 HA ALA 13 HA ALA 13 5.401 4.689 0.211 77 HB1 ALA 13 1HB ALA 13 4.686 6.423 1.639 78 HB2 ALA 13 2HB ALA 13 4.476 4.931 2.558 79 HB3 ALA 13 3HB ALA 13 5.853 5.983 2.886 80 H LEU 14 H LEU 14 6.780 5.454 -1.259 81 HA LEU 14 HA LEU 14 9.450 6.216 -0.702 82 HB2 LEU 14 1HB LEU 14 7.693 6.757 -3.089 83 HB3 LEU 14 2HB LEU 14 9.418 7.115 -3.023 84 HG LEU 14 HG LEU 14 8.425 4.324 -2.572 85 HD11 LEU 14 1HD1 LEU 14 8.444 3.835 -4.871 86 HD12 LEU 14 2HD1 LEU 14 9.147 5.399 -5.283 87 HD13 LEU 14 3HD1 LEU 14 7.480 5.304 -4.715 88 HD21 LEU 14 1HD2 LEU 14 10.973 5.358 -3.803 89 HD22 LEU 14 2HD2 LEU 14 10.618 3.711 -3.280 90 HD23 LEU 14 3HD2 LEU 14 10.786 5.000 -2.086 91 H TYR 15 H TYR 15 6.429 7.960 -0.849 92 HA TYR 15 HA TYR 15 7.833 10.364 0.080 93 HB2 TYR 15 1HB TYR 15 5.583 10.449 -1.935 94 HB3 TYR 15 2HB TYR 15 6.549 11.802 -1.357 95 HD1 TYR 15 2HD TYR 15 8.828 12.137 -2.159 96 HD2 TYR 15 1HD TYR 15 6.452 8.913 -3.595 97 HE1 TYR 15 2HE TYR 15 10.401 11.815 -4.022 98 HE2 TYR 15 1HE TYR 15 8.019 8.581 -5.461 99 HH TYR 15 HH TYR 15 11.082 9.976 -5.558 100 H ASP 16 H ASP 16 6.732 11.600 1.568 101 HA ASP 16 HA ASP 16 4.938 10.367 3.276 102 HB2 ASP 16 1HB ASP 16 4.471 12.691 4.132 103 HB3 ASP 16 2HB ASP 16 6.177 12.261 4.049 104 H TYR 17 H TYR 17 2.986 9.628 2.767 105 HA TYR 17 HA TYR 17 1.372 10.908 0.740 106 HB2 TYR 17 1HB TYR 17 1.476 8.447 0.917 107 HB3 TYR 17 2HB TYR 17 0.745 8.539 2.515 108 HD1 TYR 17 1HD TYR 17 -1.545 9.945 2.536 109 HD2 TYR 17 2HD TYR 17 0.083 7.939 -0.845 110 HE1 TYR 17 1HE TYR 17 -3.784 9.851 1.522 111 HE2 TYR 17 2HE TYR 17 -2.151 7.841 -1.869 112 HH TYR 17 HH TYR 17 -4.913 9.461 -0.415 113 H GLU 18 H GLU 18 -0.551 11.977 1.035 114 HA GLU 18 HA GLU 18 -1.365 12.515 3.811 115 HB2 GLU 18 1HB GLU 18 -0.885 14.476 1.583 116 HB3 GLU 18 2HB GLU 18 -1.977 14.857 2.907 117 HG2 GLU 18 1HG GLU 18 0.790 13.920 3.502 118 HG3 GLU 18 2HG GLU 18 0.516 15.588 3.005 119 H GLY 19 H GLY 19 -3.273 11.514 3.988 120 HA2 GLY 19 1HA GLY 19 -5.095 11.362 1.734 121 HA3 GLY 19 2HA GLY 19 -5.319 10.620 3.311 122 H GLN 20 H GLN 20 -6.879 12.540 1.408 123 HA GLN 20 HA GLN 20 -7.342 14.835 3.087 124 HB2 GLN 20 1HB GLN 20 -8.490 13.834 0.504 125 HB3 GLN 20 2HB GLN 20 -9.298 15.124 1.385 126 HG2 GLN 20 1HG GLN 20 -6.856 16.149 1.379 127 HG3 GLN 20 2HG GLN 20 -6.711 15.138 -0.058 128 HE21 GLN 20 1HE2 GLN 20 -9.195 17.240 1.370 129 HE22 GLN 20 2HE2 GLN 20 -9.529 18.115 -0.082 130 H THR 21 H THR 21 -8.660 11.669 2.730 131 HA THR 21 HA THR 21 -10.605 12.264 4.838 132 HB THR 21 HB THR 21 -12.325 10.880 3.708 133 HG1 THR 21 1HG THR 21 -10.963 11.172 1.270 134 HG21 THR 21 1HG2 THR 21 -13.114 12.873 3.099 135 HG22 THR 21 2HG2 THR 21 -12.204 12.737 1.595 136 HG23 THR 21 3HG2 THR 21 -11.481 13.528 2.995 137 H ASP 22 H ASP 22 -11.418 10.309 5.913 138 HA ASP 22 HA ASP 22 -9.409 8.616 6.765 139 HB2 ASP 22 1HB ASP 22 -11.206 7.200 7.701 140 HB3 ASP 22 2HB ASP 22 -11.479 8.911 8.016 141 H ASP 23 H ASP 23 -11.798 8.096 4.208 142 HA ASP 23 HA ASP 23 -11.438 5.466 3.589 143 HB2 ASP 23 1HB ASP 23 -12.917 7.228 2.435 144 HB3 ASP 23 2HB ASP 23 -11.516 7.551 1.417 145 H GLU 24 H GLU 24 -9.219 8.103 3.010 146 HA GLU 24 HA GLU 24 -7.456 6.469 1.386 147 HB2 GLU 24 1HB GLU 24 -7.146 9.282 2.449 148 HB3 GLU 24 2HB GLU 24 -6.014 8.490 1.362 149 HG2 GLU 24 1HG GLU 24 -7.505 8.527 -0.421 150 HG3 GLU 24 2HG GLU 24 -8.898 8.788 0.627 151 H LEU 25 H LEU 25 -5.004 6.756 2.043 152 HA LEU 25 HA LEU 25 -4.767 6.053 4.894 153 HB2 LEU 25 1HB LEU 25 -4.467 4.254 2.987 154 HB3 LEU 25 2HB LEU 25 -2.858 4.964 2.887 155 HG LEU 25 HG LEU 25 -2.659 4.479 5.378 156 HD11 LEU 25 1HD1 LEU 25 -4.765 4.030 6.174 157 HD12 LEU 25 2HD1 LEU 25 -4.146 2.398 5.917 158 HD13 LEU 25 3HD1 LEU 25 -5.235 3.124 4.735 159 HD21 LEU 25 1HD2 LEU 25 -2.181 2.049 4.943 160 HD22 LEU 25 2HD2 LEU 25 -1.406 3.181 3.834 161 HD23 LEU 25 3HD2 LEU 25 -2.838 2.286 3.324 162 H SER 26 H SER 26 -3.290 7.136 6.046 163 HA SER 26 HA SER 26 -1.427 8.885 4.577 164 HB2 SER 26 1HB SER 26 -2.195 9.429 7.418 165 HB3 SER 26 2HB SER 26 -1.724 10.560 6.150 166 HG SER 26 HG SER 26 -3.828 9.753 5.156 167 H PHE 27 H PHE 27 0.599 8.206 4.663 168 HA PHE 27 HA PHE 27 1.616 7.103 7.188 169 HB2 PHE 27 1HB PHE 27 3.092 5.660 5.497 170 HB3 PHE 27 2HB PHE 27 1.533 5.097 6.089 171 HD1 PHE 27 2HD PHE 27 3.164 6.837 3.251 172 HD2 PHE 27 1HD PHE 27 -0.201 4.613 4.609 173 HE1 PHE 27 2HE PHE 27 2.357 6.650 0.935 174 HE2 PHE 27 1HE PHE 27 -1.013 4.422 2.294 175 HZ PHE 27 HZ PHE 27 0.266 5.442 0.454 176 HA PRO 28 HA PRO 28 4.925 9.944 6.655 177 HB2 PRO 28 1HB PRO 28 6.873 8.672 8.055 178 HB3 PRO 28 2HB PRO 28 5.499 9.470 8.829 179 HG2 PRO 28 1HG PRO 28 5.909 6.566 8.225 180 HG3 PRO 28 2HG PRO 28 5.260 7.323 9.691 181 HD2 PRO 28 1HD PRO 28 3.673 6.213 7.799 182 HD3 PRO 28 2HD PRO 28 3.169 7.614 8.766 183 H GLU 29 H GLU 29 7.018 10.211 5.687 184 HA GLU 29 HA GLU 29 7.396 8.812 3.311 185 HB2 GLU 29 1HB GLU 29 8.318 11.006 3.541 186 HB3 GLU 29 2HB GLU 29 9.292 10.519 4.922 187 HG2 GLU 29 1HG GLU 29 10.557 9.001 3.414 188 HG3 GLU 29 2HG GLU 29 9.657 9.678 2.058 189 H GLY 30 H GLY 30 7.591 6.627 3.423 190 HA2 GLY 30 1HA GLY 30 9.210 4.854 3.364 191 HA3 GLY 30 2HA GLY 30 10.040 5.621 4.710 192 H ALA 31 H ALA 31 6.623 4.752 4.242 193 HA ALA 31 HA ALA 31 6.788 3.199 6.740 194 HB1 ALA 31 1HB ALA 31 4.087 3.796 6.014 195 HB2 ALA 31 2HB ALA 31 4.988 4.282 7.451 196 HB3 ALA 31 3HB ALA 31 5.043 5.278 5.996 197 H ILE 32 H ILE 32 6.792 1.080 6.422 198 HA ILE 32 HA ILE 32 6.012 -0.130 3.968 199 HB ILE 32 HB ILE 32 6.771 -1.265 6.650 200 HG12 ILE 32 1HG1 ILE 32 8.739 -2.065 5.386 201 HG13 ILE 32 2HG1 ILE 32 8.098 -1.311 3.930 202 HG21 ILE 32 1HG2 ILE 32 6.897 -3.433 5.107 203 HG22 ILE 32 2HG2 ILE 32 5.458 -3.011 6.035 204 HG23 ILE 32 3HG2 ILE 32 5.547 -2.617 4.318 205 HD11 ILE 32 1HD1 ILE 32 8.581 0.809 4.655 206 HD12 ILE 32 2HD1 ILE 32 8.548 0.351 6.359 207 HD13 ILE 32 3HD1 ILE 32 9.916 -0.112 5.346 208 H ILE 33 H ILE 33 4.010 -0.522 3.321 209 HA ILE 33 HA ILE 33 1.898 -0.843 5.339 210 HB ILE 33 HB ILE 33 1.555 -0.277 2.394 211 HG12 ILE 33 1HG1 ILE 33 1.079 1.777 4.512 212 HG13 ILE 33 2HG1 ILE 33 2.733 1.478 3.988 213 HG21 ILE 33 1HG2 ILE 33 -0.689 -0.120 2.763 214 HG22 ILE 33 2HG2 ILE 33 -0.283 -1.328 3.981 215 HG23 ILE 33 3HG2 ILE 33 -0.493 0.360 4.448 216 HD11 ILE 33 1HD1 ILE 33 2.101 3.196 2.609 217 HD12 ILE 33 2HD1 ILE 33 1.734 1.792 1.606 218 HD13 ILE 33 3HD1 ILE 33 0.440 2.620 2.472 219 H ARG 34 H ARG 34 0.559 -2.608 5.351 220 HA ARG 34 HA ARG 34 1.556 -4.962 3.986 221 HB2 ARG 34 1HB ARG 34 0.941 -5.077 6.368 222 HB3 ARG 34 2HB ARG 34 -0.717 -4.656 5.957 223 HG2 ARG 34 1HG ARG 34 -0.687 -6.748 4.485 224 HG3 ARG 34 2HG ARG 34 0.772 -7.188 5.375 225 HD2 ARG 34 1HD ARG 34 -1.848 -6.501 6.692 226 HD3 ARG 34 2HD ARG 34 -1.367 -8.146 6.278 227 HE ARG 34 HE ARG 34 -0.414 -6.565 8.474 228 HH11 ARG 34 2HH1 ARG 34 0.348 -9.176 6.301 229 HH12 ARG 34 1HH1 ARG 34 1.480 -9.918 7.381 230 HH21 ARG 34 2HH2 ARG 34 1.075 -7.533 9.906 231 HH22 ARG 34 1HH2 ARG 34 1.892 -8.984 9.432 232 H ILE 35 H ILE 35 0.984 -4.917 1.866 233 HA ILE 35 HA ILE 35 -1.426 -3.964 0.813 234 HB ILE 35 HB ILE 35 0.491 -6.020 -0.286 235 HG12 ILE 35 1HG1 ILE 35 1.426 -3.771 -0.002 236 HG13 ILE 35 2HG1 ILE 35 1.241 -4.161 -1.709 237 HG21 ILE 35 1HG2 ILE 35 -1.575 -6.447 -1.364 238 HG22 ILE 35 2HG2 ILE 35 -1.911 -4.727 -1.552 239 HG23 ILE 35 3HG2 ILE 35 -0.617 -5.479 -2.485 240 HD11 ILE 35 1HD1 ILE 35 0.500 -1.975 -1.562 241 HD12 ILE 35 2HD1 ILE 35 -0.996 -2.908 -1.524 242 HD13 ILE 35 3HD1 ILE 35 -0.328 -2.252 -0.030 243 H LEU 36 H LEU 36 -3.400 -4.690 1.221 244 HA LEU 36 HA LEU 36 -3.823 -7.458 2.003 245 HB2 LEU 36 1HB LEU 36 -5.686 -5.096 1.849 246 HB3 LEU 36 2HB LEU 36 -6.169 -6.706 2.378 247 HG LEU 36 HG LEU 36 -3.955 -5.265 3.786 248 HD11 LEU 36 1HD1 LEU 36 -5.530 -3.586 3.967 249 HD12 LEU 36 2HD1 LEU 36 -5.868 -4.568 5.391 250 HD13 LEU 36 3HD1 LEU 36 -6.887 -4.712 3.959 251 HD21 LEU 36 1HD2 LEU 36 -6.038 -7.010 5.022 252 HD22 LEU 36 2HD2 LEU 36 -4.364 -6.740 5.506 253 HD23 LEU 36 3HD2 LEU 36 -4.725 -7.740 4.099 254 H ASN 37 H ASN 37 -5.029 -5.208 -0.476 255 HA ASN 37 HA ASN 37 -5.464 -7.502 -2.246 256 HB2 ASN 37 1HB ASN 37 -7.500 -5.324 -1.725 257 HB3 ASN 37 2HB ASN 37 -7.635 -6.552 -2.981 258 HD21 ASN 37 1HD2 ASN 37 -8.990 -5.791 -0.273 259 HD22 ASN 37 2HD2 ASN 37 -9.232 -7.335 0.464 260 H LYS 38 H LYS 38 -4.244 -7.148 -3.969 261 HA LYS 38 HA LYS 38 -3.790 -4.388 -4.861 262 HB2 LYS 38 1HB LYS 38 -1.874 -5.297 -6.104 263 HB3 LYS 38 2HB LYS 38 -1.770 -5.669 -4.388 264 HG2 LYS 38 1HG LYS 38 -2.226 -7.919 -4.718 265 HG3 LYS 38 2HG LYS 38 -2.947 -7.641 -6.305 266 HD2 LYS 38 1HD LYS 38 -0.908 -8.510 -6.909 267 HD3 LYS 38 2HD LYS 38 -0.535 -6.784 -6.896 268 HE2 LYS 38 1HE LYS 38 1.233 -7.692 -5.707 269 HE3 LYS 38 2HE LYS 38 0.126 -7.196 -4.427 270 HZ1 LYS 38 1HZ LYS 38 0.353 -9.947 -5.523 271 HZ2 LYS 38 2HZ LYS 38 -0.664 -9.461 -4.262 272 HZ3 LYS 38 3HZ LYS 38 1.014 -9.422 -4.057 273 H GLU 39 H GLU 39 -5.385 -7.299 -5.694 274 HA GLU 39 HA GLU 39 -5.595 -6.618 -8.516 275 HB2 GLU 39 1HB GLU 39 -7.137 -8.723 -8.437 276 HB3 GLU 39 2HB GLU 39 -5.394 -8.912 -8.312 277 HG2 GLU 39 1HG GLU 39 -5.472 -9.454 -6.081 278 HG3 GLU 39 2HG GLU 39 -7.015 -8.639 -5.828 279 H ASN 40 H ASN 40 -6.657 -4.542 -7.474 280 HA ASN 40 HA ASN 40 -9.261 -4.577 -6.499 281 HB2 ASN 40 1HB ASN 40 -7.788 -2.579 -6.532 282 HB3 ASN 40 2HB ASN 40 -8.018 -2.465 -8.275 283 HD21 ASN 40 1HD2 ASN 40 -8.721 -0.673 -5.990 284 HD22 ASN 40 2HD2 ASN 40 -10.401 -0.331 -6.202 285 H GLN 41 H GLN 41 -11.072 -5.304 -7.378 286 HA GLN 41 HA GLN 41 -11.278 -6.092 -10.086 287 HB2 GLN 41 1HB GLN 41 -12.570 -7.115 -8.231 288 HB3 GLN 41 2HB GLN 41 -13.505 -5.631 -8.094 289 HG2 GLN 41 1HG GLN 41 -14.018 -6.046 -10.611 290 HG3 GLN 41 2HG GLN 41 -13.544 -7.702 -10.237 291 HE21 GLN 41 1HE2 GLN 41 -15.752 -8.211 -10.814 292 HE22 GLN 41 2HE2 GLN 41 -17.000 -8.035 -9.633 293 H ASP 42 H ASP 42 -13.031 -3.523 -8.334 294 HA ASP 42 HA ASP 42 -14.309 -2.352 -10.471 295 HB2 ASP 42 1HB ASP 42 -14.800 -1.662 -8.213 296 HB3 ASP 42 2HB ASP 42 -13.163 -1.049 -7.996 297 H ASP 43 H ASP 43 -13.857 -0.407 -11.682 298 HA ASP 43 HA ASP 43 -11.088 -0.341 -12.578 299 HB2 ASP 43 1HB ASP 43 -13.010 -0.490 -14.193 300 HB3 ASP 43 2HB ASP 43 -13.458 1.147 -13.719 301 H ASP 44 H ASP 44 -10.924 0.658 -10.195 302 HA ASP 44 HA ASP 44 -11.222 3.571 -10.350 303 HB2 ASP 44 1HB ASP 44 -10.686 3.495 -7.900 304 HB3 ASP 44 2HB ASP 44 -12.157 2.635 -8.347 305 H GLY 45 H GLY 45 -8.801 1.087 -9.561 306 HA2 GLY 45 1HA GLY 45 -6.551 1.154 -10.275 307 HA3 GLY 45 2HA GLY 45 -6.724 2.876 -10.580 308 H PHE 46 H PHE 46 -7.606 1.171 -7.620 309 HA PHE 46 HA PHE 46 -5.394 2.537 -6.241 310 HB2 PHE 46 1HB PHE 46 -8.303 2.419 -5.476 311 HB3 PHE 46 2HB PHE 46 -7.050 2.701 -4.271 312 HD1 PHE 46 2HD PHE 46 -8.759 4.068 -7.210 313 HD2 PHE 46 1HD PHE 46 -5.868 4.783 -4.169 314 HE1 PHE 46 2HE PHE 46 -8.772 6.465 -7.766 315 HE2 PHE 46 1HE PHE 46 -5.878 7.181 -4.719 316 HZ PHE 46 HZ PHE 46 -7.330 8.025 -6.521 317 H TRP 47 H TRP 47 -4.650 1.518 -4.304 318 HA TRP 47 HA TRP 47 -5.210 -1.372 -4.265 319 HB2 TRP 47 1HB TRP 47 -2.727 0.225 -3.765 320 HB3 TRP 47 2HB TRP 47 -2.916 -1.341 -2.982 321 HD1 TRP 47 HD TRP 47 -4.578 -1.685 -6.191 322 HE1 TRP 47 1HE TRP 47 -3.036 -2.773 -7.941 323 HE3 TRP 47 3HE TRP 47 -0.107 -1.176 -3.764 324 HZ2 TRP 47 2HZ TRP 47 -0.289 -3.340 -8.253 325 HZ3 TRP 47 3HZ TRP 47 1.930 -2.018 -4.857 326 HH2 TRP 47 HH TRP 47 1.839 -3.078 -7.054 327 H GLU 48 H GLU 48 -5.759 -2.379 -2.385 328 HA GLU 48 HA GLU 48 -6.368 -0.622 -0.118 329 HB2 GLU 48 1HB GLU 48 -8.192 -2.004 -1.143 330 HB3 GLU 48 2HB GLU 48 -7.333 -3.442 -0.610 331 HG2 GLU 48 1HG GLU 48 -7.512 -2.595 1.726 332 HG3 GLU 48 2HG GLU 48 -8.538 -1.297 1.118 333 H GLY 49 H GLY 49 -5.072 -0.642 1.589 334 HA2 GLY 49 1HA GLY 49 -3.859 -3.157 2.451 335 HA3 GLY 49 2HA GLY 49 -2.764 -1.843 2.047 336 H GLU 50 H GLU 50 -2.937 -3.072 4.589 337 HA GLU 50 HA GLU 50 -4.142 -0.932 6.215 338 HB2 GLU 50 1HB GLU 50 -5.112 -3.065 6.753 339 HB3 GLU 50 2HB GLU 50 -3.525 -3.810 6.890 340 HG2 GLU 50 1HG GLU 50 -3.202 -1.977 8.753 341 HG3 GLU 50 2HG GLU 50 -4.963 -2.040 8.790 342 H PHE 51 H PHE 51 -2.944 0.071 7.808 343 HA PHE 51 HA PHE 51 -0.194 -0.729 8.270 344 HB2 PHE 51 1HB PHE 51 0.173 0.638 6.351 345 HB3 PHE 51 2HB PHE 51 -0.934 1.875 6.937 346 HD1 PHE 51 2HD PHE 51 2.345 0.280 7.554 347 HD2 PHE 51 1HD PHE 51 -0.184 3.618 8.316 348 HE1 PHE 51 2HE PHE 51 4.232 1.469 8.592 349 HE2 PHE 51 1HE PHE 51 1.700 4.812 9.355 350 HZ PHE 51 HZ PHE 51 3.911 3.737 9.495 351 H ASN 52 H ASN 52 0.655 0.053 10.187 352 HA ASN 52 HA ASN 52 0.375 0.517 12.428 353 HB2 ASN 52 1HB ASN 52 1.030 2.680 11.130 354 HB3 ASN 52 2HB ASN 52 -0.614 3.195 11.494 355 HD21 ASN 52 1HD2 ASN 52 2.492 3.308 12.525 356 HD22 ASN 52 2HD2 ASN 52 2.232 3.637 14.202 357 H GLY 53 H GLY 53 -1.939 -0.756 11.356 358 HA2 GLY 53 1HA GLY 53 -4.031 -1.304 12.154 359 HA3 GLY 53 2HA GLY 53 -3.816 -0.090 13.407 360 H ARG 54 H ARG 54 -3.688 0.441 9.920 361 HA ARG 54 HA ARG 54 -6.183 1.992 10.131 362 HB2 ARG 54 1HB ARG 54 -3.572 2.751 8.845 363 HB3 ARG 54 2HB ARG 54 -5.086 3.483 8.331 364 HG2 ARG 54 1HG ARG 54 -4.467 3.485 11.231 365 HG3 ARG 54 2HG ARG 54 -3.553 4.574 10.185 366 HD2 ARG 54 1HD ARG 54 -5.882 5.233 9.258 367 HD3 ARG 54 2HD ARG 54 -6.493 4.509 10.745 368 HE ARG 54 HE ARG 54 -4.437 6.317 11.375 369 HH11 ARG 54 2HH1 ARG 54 -7.711 6.275 10.193 370 HH12 ARG 54 1HH1 ARG 54 -8.101 7.836 10.835 371 HH21 ARG 54 2HH2 ARG 54 -4.939 8.373 12.226 372 HH22 ARG 54 1HH2 ARG 54 -6.523 9.029 11.991 373 H ILE 55 H ILE 55 -7.195 2.404 7.970 374 HA ILE 55 HA ILE 55 -6.561 0.426 5.925 375 HB ILE 55 HB ILE 55 -9.285 0.583 7.221 376 HG12 ILE 55 1HG1 ILE 55 -7.401 -1.773 7.055 377 HG13 ILE 55 2HG1 ILE 55 -7.469 -0.691 8.442 378 HG21 ILE 55 1HG2 ILE 55 -8.344 -1.109 4.908 379 HG22 ILE 55 2HG2 ILE 55 -9.940 -1.162 5.655 380 HG23 ILE 55 3HG2 ILE 55 -9.417 0.285 4.793 381 HD11 ILE 55 1HD1 ILE 55 -9.496 -1.480 9.129 382 HD12 ILE 55 2HD1 ILE 55 -9.983 -1.966 7.505 383 HD13 ILE 55 3HD1 ILE 55 -8.814 -2.934 8.401 384 H GLY 56 H GLY 56 -6.600 1.408 4.019 385 HA2 GLY 56 1HA GLY 56 -8.745 3.204 3.303 386 HA3 GLY 56 2HA GLY 56 -7.185 3.995 3.469 387 H VAL 57 H VAL 57 -7.340 4.542 1.223 388 HA VAL 57 HA VAL 57 -6.500 2.319 -0.510 389 HB VAL 57 HB VAL 57 -7.745 3.348 -2.392 390 HG11 VAL 57 1HG1 VAL 57 -9.786 2.328 -1.892 391 HG12 VAL 57 2HG1 VAL 57 -8.629 1.495 -0.852 392 HG13 VAL 57 3HG1 VAL 57 -9.680 2.743 -0.181 393 HG21 VAL 57 1HG2 VAL 57 -8.067 5.469 -0.554 394 HG22 VAL 57 2HG2 VAL 57 -8.643 5.373 -2.219 395 HG23 VAL 57 3HG2 VAL 57 -9.674 4.826 -0.896 396 H PHE 58 H PHE 58 -4.951 2.800 -2.036 397 HA PHE 58 HA PHE 58 -3.971 5.563 -2.150 398 HB2 PHE 58 1HB PHE 58 -1.609 4.481 -2.181 399 HB3 PHE 58 2HB PHE 58 -2.423 4.699 -0.635 400 HD1 PHE 58 2HD PHE 58 -3.978 2.614 0.019 401 HD2 PHE 58 1HD PHE 58 -0.580 2.472 -2.541 402 HE1 PHE 58 2HE PHE 58 -3.729 0.212 0.488 403 HE2 PHE 58 1HE PHE 58 -0.327 0.069 -2.077 404 HZ PHE 58 HZ PHE 58 -1.902 -1.064 -0.560 405 HA PRO 59 HA PRO 59 -3.630 4.954 -6.481 406 HB2 PRO 59 1HB PRO 59 -1.446 6.451 -7.084 407 HB3 PRO 59 2HB PRO 59 -3.002 7.159 -6.633 408 HG2 PRO 59 1HG PRO 59 -0.564 6.717 -4.953 409 HG3 PRO 59 2HG PRO 59 -1.633 8.130 -5.024 410 HD2 PRO 59 1HD PRO 59 -1.800 6.274 -3.059 411 HD3 PRO 59 2HD PRO 59 -3.217 7.157 -3.662 412 H SER 60 H SER 60 -1.430 3.637 -4.361 413 HA SER 60 HA SER 60 0.238 2.091 -4.510 414 HB2 SER 60 1HB SER 60 -0.087 0.327 -6.123 415 HB3 SER 60 2HB SER 60 -1.675 0.865 -5.576 416 HG SER 60 HG SER 60 -1.841 0.798 -7.748 417 H VAL 61 H VAL 61 0.766 4.728 -5.612 418 HA VAL 61 HA VAL 61 2.871 4.003 -7.544 419 HB VAL 61 HB VAL 61 2.639 6.148 -8.626 420 HG11 VAL 61 1HG1 VAL 61 0.550 4.172 -8.549 421 HG12 VAL 61 2HG1 VAL 61 -0.115 5.763 -8.926 422 HG13 VAL 61 3HG1 VAL 61 1.176 5.087 -9.920 423 HG21 VAL 61 1HG2 VAL 61 0.383 7.384 -7.844 424 HG22 VAL 61 2HG2 VAL 61 0.913 6.719 -6.300 425 HG23 VAL 61 3HG2 VAL 61 1.980 7.786 -7.213 426 H LEU 62 H LEU 62 1.923 5.900 -4.767 427 HA LEU 62 HA LEU 62 4.481 7.226 -4.550 428 HB2 LEU 62 1HB LEU 62 2.088 7.114 -2.724 429 HB3 LEU 62 2HB LEU 62 3.545 8.043 -2.378 430 HG LEU 62 HG LEU 62 1.736 8.493 -4.751 431 HD11 LEU 62 1HD1 LEU 62 1.991 10.403 -2.482 432 HD12 LEU 62 2HD1 LEU 62 0.931 9.005 -2.304 433 HD13 LEU 62 3HD1 LEU 62 0.657 10.157 -3.610 434 HD21 LEU 62 1HD2 LEU 62 3.396 9.724 -5.554 435 HD22 LEU 62 2HD2 LEU 62 4.395 9.345 -4.150 436 HD23 LEU 62 3HD2 LEU 62 3.316 10.741 -4.114 437 H VAL 63 H VAL 63 3.890 4.163 -4.261 438 HA VAL 63 HA VAL 63 5.559 3.821 -1.856 439 HB VAL 63 HB VAL 63 4.471 1.689 -1.415 440 HG11 VAL 63 1HG1 VAL 63 2.991 2.762 -0.152 441 HG12 VAL 63 2HG1 VAL 63 3.324 4.224 -1.082 442 HG13 VAL 63 3HG1 VAL 63 2.005 3.156 -1.560 443 HG21 VAL 63 1HG2 VAL 63 3.175 2.259 -4.014 444 HG22 VAL 63 2HG2 VAL 63 3.689 0.724 -3.315 445 HG23 VAL 63 3HG2 VAL 63 2.186 1.476 -2.782 446 H GLU 64 H GLU 64 6.753 1.697 -1.868 447 HA GLU 64 HA GLU 64 7.511 0.898 -4.595 448 HB2 GLU 64 1HB GLU 64 9.333 2.231 -4.074 449 HB3 GLU 64 2HB GLU 64 9.262 1.840 -2.362 450 HG2 GLU 64 1HG GLU 64 10.405 -0.135 -2.622 451 HG3 GLU 64 2HG GLU 64 9.947 -0.301 -4.316 452 H GLU 65 H GLU 65 7.783 -1.245 -4.915 453 HA GLU 65 HA GLU 65 6.849 -3.053 -2.926 454 HB2 GLU 65 1HB GLU 65 8.095 -3.474 -5.641 455 HB3 GLU 65 2HB GLU 65 7.555 -4.802 -4.625 456 HG2 GLU 65 1HG GLU 65 5.709 -4.528 -5.917 457 HG3 GLU 65 2HG GLU 65 5.313 -3.430 -4.596 458 H LEU 66 H LEU 66 7.933 -4.398 -1.586 459 HA LEU 66 HA LEU 66 10.753 -3.882 -1.187 460 HB2 LEU 66 1HB LEU 66 8.735 -5.552 0.293 461 HB3 LEU 66 2HB LEU 66 10.438 -5.482 0.741 462 HG LEU 66 HG LEU 66 8.750 -3.002 0.603 463 HD11 LEU 66 1HD1 LEU 66 9.216 -4.371 3.198 464 HD12 LEU 66 2HD1 LEU 66 7.915 -4.959 2.164 465 HD13 LEU 66 3HD1 LEU 66 7.919 -3.281 2.708 466 HD21 LEU 66 1HD2 LEU 66 10.993 -2.422 0.753 467 HD22 LEU 66 2HD2 LEU 66 11.380 -3.784 1.804 468 HD23 LEU 66 3HD2 LEU 66 10.468 -2.412 2.437 469 H SER 67 H SER 67 10.381 -5.079 -3.628 470 HA SER 67 HA SER 67 10.844 -7.926 -3.381 471 HB2 SER 67 1HB SER 67 10.814 -7.979 -5.778 472 HB3 SER 67 2HB SER 67 9.532 -6.880 -5.270 473 HG SER 67 HG SER 67 11.340 -5.230 -5.534 474 H SER 68 H SER 68 12.770 -6.537 -1.992 475 HA SER 68 HA SER 68 15.154 -6.608 -3.705 476 HB2 SER 68 1HB SER 68 15.051 -4.545 -2.541 477 HB3 SER 68 2HB SER 68 14.602 -5.331 -1.027 478 HG SER 68 HG SER 68 16.651 -5.999 -0.746 479 H GLY 69 H GLY 69 15.835 -8.680 -3.801 480 HA2 GLY 69 1HA GLY 69 16.902 -10.590 -3.087 481 HA3 GLY 69 2HA GLY 69 17.083 -9.824 -1.516 482 HA PRO 70 HA PRO 70 14.235 -13.400 -0.941 483 HB2 PRO 70 1HB PRO 70 15.300 -14.144 1.442 484 HB3 PRO 70 2HB PRO 70 15.957 -14.674 -0.111 485 HG2 PRO 70 1HG PRO 70 16.892 -12.473 1.689 486 HG3 PRO 70 2HG PRO 70 17.847 -13.682 0.811 487 HD2 PRO 70 1HD PRO 70 17.544 -11.142 -0.075 488 HD3 PRO 70 2HD PRO 70 17.720 -12.523 -1.177 489 H SER 71 H SER 71 12.288 -13.024 -0.103 490 HA SER 71 HA SER 71 12.087 -11.308 2.284 491 HB2 SER 71 1HB SER 71 11.293 -10.298 0.052 492 HB3 SER 71 2HB SER 71 9.952 -11.438 0.160 493 HG SER 71 HG SER 71 9.160 -10.381 1.854 494 H SER 72 H SER 72 11.154 -12.244 3.971 495 HA SER 72 HA SER 72 9.249 -14.437 3.507 496 HB2 SER 72 1HB SER 72 10.211 -15.705 5.346 497 HB3 SER 72 2HB SER 72 11.469 -15.351 4.161 498 HG SER 72 HG SER 72 12.110 -14.961 6.356 499 H GLY 73 H GLY 73 7.811 -14.854 5.346 500 HA2 GLY 73 1HA GLY 73 7.327 -12.380 6.890 501 HA3 GLY 73 2HA GLY 73 6.044 -13.417 6.283 Start of MODEL 16 1 H1 GLY 1 H GLY 1 7.158 -29.815 6.963 2 HA2 GLY 1 1HA GLY 1 4.861 -30.784 5.424 3 HA3 GLY 1 2HA GLY 1 4.596 -30.370 7.111 4 H SER 2 H SER 2 3.512 -28.516 7.163 5 HA SER 2 HA SER 2 3.623 -26.545 5.139 6 HB2 SER 2 1HB SER 2 2.123 -25.293 6.474 7 HB3 SER 2 2HB SER 2 1.739 -26.978 6.825 8 HG SER 2 HG SER 2 2.066 -25.370 8.643 9 H SER 3 H SER 3 4.791 -24.710 4.935 10 HA SER 3 HA SER 3 6.662 -24.019 7.097 11 HB2 SER 3 1HB SER 3 7.942 -25.212 5.410 12 HB3 SER 3 2HB SER 3 7.292 -24.175 4.140 13 HG SER 3 HG SER 3 8.519 -22.856 6.234 14 H GLY 4 H GLY 4 5.220 -22.346 7.702 15 HA2 GLY 4 1HA GLY 4 4.607 -20.130 7.751 16 HA3 GLY 4 2HA GLY 4 5.740 -19.858 6.435 17 H SER 5 H SER 5 4.538 -18.598 5.110 18 HA SER 5 HA SER 5 2.630 -19.810 3.427 19 HB2 SER 5 1HB SER 5 1.374 -19.297 5.692 20 HB3 SER 5 2HB SER 5 1.316 -17.659 5.040 21 HG SER 5 HG SER 5 -0.344 -19.545 4.497 22 H SER 6 H SER 6 2.178 -18.560 1.626 23 HA SER 6 HA SER 6 3.504 -15.929 1.549 24 HB2 SER 6 1HB SER 6 4.485 -17.929 0.190 25 HB3 SER 6 2HB SER 6 3.135 -17.624 -0.903 26 HG SER 6 HG SER 6 5.451 -16.262 -0.624 27 H GLY 7 H GLY 7 2.611 -14.388 -0.007 28 HA2 GLY 7 1HA GLY 7 0.544 -14.262 -1.581 29 HA3 GLY 7 2HA GLY 7 -0.316 -14.620 -0.091 30 H VAL 8 H VAL 8 0.579 -13.105 1.796 31 HA VAL 8 HA VAL 8 -0.408 -10.569 1.348 32 HB VAL 8 HB VAL 8 1.678 -11.369 3.383 33 HG11 VAL 8 1HG1 VAL 8 1.434 -9.366 4.423 34 HG12 VAL 8 2HG1 VAL 8 1.096 -8.838 2.773 35 HG13 VAL 8 3HG1 VAL 8 -0.233 -9.164 3.886 36 HG21 VAL 8 1HG2 VAL 8 -0.701 -12.502 3.208 37 HG22 VAL 8 2HG2 VAL 8 0.003 -12.079 4.769 38 HG23 VAL 8 3HG2 VAL 8 -1.204 -11.026 4.032 39 H CYS 9 H CYS 9 0.315 -8.812 0.343 40 HA CYS 9 HA CYS 9 3.119 -8.758 -0.523 41 HB2 CYS 9 1HB CYS 9 0.660 -7.340 -1.555 42 HB3 CYS 9 2HB CYS 9 2.287 -6.969 -2.111 43 HG CYS 9 HG CYS 9 0.319 -9.015 -3.465 44 H PHE 10 H PHE 10 4.148 -6.579 -0.633 45 HA PHE 10 HA PHE 10 3.190 -4.679 1.363 46 HB2 PHE 10 1HB PHE 10 5.934 -5.950 1.476 47 HB3 PHE 10 2HB PHE 10 5.404 -4.596 2.470 48 HD1 PHE 10 2HD PHE 10 5.111 -8.190 1.877 49 HD2 PHE 10 1HD PHE 10 3.866 -4.920 4.300 50 HE1 PHE 10 2HE PHE 10 4.236 -9.768 3.550 51 HE2 PHE 10 1HE PHE 10 2.990 -6.492 5.978 52 HZ PHE 10 HZ PHE 10 3.173 -8.919 5.603 53 H VAL 11 H VAL 11 3.869 -2.582 1.029 54 HA VAL 11 HA VAL 11 5.673 -2.105 -1.245 55 HB VAL 11 HB VAL 11 4.245 -0.274 -2.027 56 HG11 VAL 11 1HG1 VAL 11 3.354 -1.770 -3.402 57 HG12 VAL 11 2HG1 VAL 11 3.704 -3.047 -2.236 58 HG13 VAL 11 3HG1 VAL 11 2.157 -2.200 -2.181 59 HG21 VAL 11 1HG2 VAL 11 3.158 -0.224 0.419 60 HG22 VAL 11 2HG2 VAL 11 2.354 0.441 -1.002 61 HG23 VAL 11 3HG2 VAL 11 1.929 -1.169 -0.422 62 H LYS 12 H LYS 12 6.819 -0.138 -1.195 63 HA LYS 12 HA LYS 12 7.010 1.036 1.491 64 HB2 LYS 12 1HB LYS 12 9.029 -0.041 0.346 65 HB3 LYS 12 2HB LYS 12 9.018 1.346 -0.735 66 HG2 LYS 12 1HG LYS 12 9.067 2.731 1.459 67 HG3 LYS 12 2HG LYS 12 9.641 1.226 2.181 68 HD2 LYS 12 1HD LYS 12 11.632 2.213 1.594 69 HD3 LYS 12 2HD LYS 12 11.303 1.250 0.152 70 HE2 LYS 12 1HE LYS 12 11.822 3.276 -0.793 71 HE3 LYS 12 2HE LYS 12 10.072 3.424 -0.640 72 HZ1 LYS 12 1HZ LYS 12 10.472 4.586 1.501 73 HZ2 LYS 12 2HZ LYS 12 11.058 5.421 0.152 74 HZ3 LYS 12 3HZ LYS 12 12.129 4.582 1.157 75 H ALA 13 H ALA 13 6.404 3.072 1.842 76 HA ALA 13 HA ALA 13 5.264 4.627 -0.275 77 HB1 ALA 13 1HB ALA 13 5.546 4.926 2.671 78 HB2 ALA 13 2HB ALA 13 5.188 6.360 1.708 79 HB3 ALA 13 3HB ALA 13 4.100 4.972 1.662 80 H LEU 14 H LEU 14 6.718 5.385 -1.727 81 HA LEU 14 HA LEU 14 9.322 6.243 -1.191 82 HB2 LEU 14 1HB LEU 14 7.486 7.149 -3.404 83 HB3 LEU 14 2HB LEU 14 9.240 7.327 -3.378 84 HG LEU 14 HG LEU 14 7.960 4.617 -3.254 85 HD11 LEU 14 1HD1 LEU 14 6.973 5.480 -5.206 86 HD12 LEU 14 2HD1 LEU 14 8.378 4.567 -5.756 87 HD13 LEU 14 3HD1 LEU 14 8.447 6.328 -5.675 88 HD21 LEU 14 1HD2 LEU 14 10.042 3.813 -3.818 89 HD22 LEU 14 2HD2 LEU 14 10.466 5.204 -2.820 90 HD23 LEU 14 3HD2 LEU 14 10.540 5.325 -4.578 91 H TYR 15 H TYR 15 6.264 7.967 -1.108 92 HA TYR 15 HA TYR 15 7.639 10.220 0.170 93 HB2 TYR 15 1HB TYR 15 5.432 10.642 -1.841 94 HB3 TYR 15 2HB TYR 15 6.489 11.852 -1.123 95 HD1 TYR 15 1HD TYR 15 6.206 9.230 -3.662 96 HD2 TYR 15 2HD TYR 15 8.763 12.155 -1.927 97 HE1 TYR 15 1HE TYR 15 7.737 9.018 -5.575 98 HE2 TYR 15 2HE TYR 15 10.301 11.951 -3.836 99 HH TYR 15 HH TYR 15 10.035 9.433 -6.149 100 H ASP 16 H ASP 16 6.396 11.382 1.666 101 HA ASP 16 HA ASP 16 4.476 9.866 3.082 102 HB2 ASP 16 1HB ASP 16 4.148 12.029 4.373 103 HB3 ASP 16 2HB ASP 16 5.792 11.397 4.334 104 H TYR 17 H TYR 17 2.409 9.570 2.619 105 HA TYR 17 HA TYR 17 1.071 11.393 0.774 106 HB2 TYR 17 1HB TYR 17 1.039 8.846 0.531 107 HB3 TYR 17 2HB TYR 17 -0.064 8.837 1.903 108 HD1 TYR 17 2HD TYR 17 0.127 11.193 -0.979 109 HD2 TYR 17 1HD TYR 17 -2.123 8.193 1.030 110 HE1 TYR 17 2HE TYR 17 -1.762 11.598 -2.501 111 HE2 TYR 17 1HE TYR 17 -4.018 8.589 -0.487 112 HH TYR 17 HH TYR 17 -4.870 10.432 -1.926 113 H GLU 18 H GLU 18 -0.870 12.432 1.235 114 HA GLU 18 HA GLU 18 -1.542 12.594 4.100 115 HB2 GLU 18 1HB GLU 18 -0.563 14.673 3.341 116 HB3 GLU 18 2HB GLU 18 -1.667 14.738 1.974 117 HG2 GLU 18 1HG GLU 18 -2.726 16.178 3.362 118 HG3 GLU 18 2HG GLU 18 -3.478 14.676 3.897 119 H GLY 19 H GLY 19 -3.001 10.775 3.639 120 HA2 GLY 19 1HA GLY 19 -5.051 10.603 1.874 121 HA3 GLY 19 2HA GLY 19 -5.207 10.090 3.548 122 H GLN 20 H GLN 20 -6.915 11.600 1.417 123 HA GLN 20 HA GLN 20 -7.483 14.131 2.591 124 HB2 GLN 20 1HB GLN 20 -9.035 12.423 0.644 125 HB3 GLN 20 2HB GLN 20 -9.525 14.041 1.127 126 HG2 GLN 20 1HG GLN 20 -6.783 13.645 0.052 127 HG3 GLN 20 2HG GLN 20 -8.147 13.624 -1.065 128 HE21 GLN 20 1HE2 GLN 20 -6.372 15.530 -1.476 129 HE22 GLN 20 2HE2 GLN 20 -6.949 17.071 -0.951 130 H THR 21 H THR 21 -8.984 10.934 2.792 131 HA THR 21 HA THR 21 -10.371 11.817 5.223 132 HB THR 21 HB THR 21 -12.386 10.552 4.582 133 HG1 THR 21 1HG THR 21 -11.527 10.456 1.912 134 HG21 THR 21 1HG2 THR 21 -11.424 12.859 2.954 135 HG22 THR 21 2HG2 THR 21 -12.738 12.778 4.128 136 HG23 THR 21 3HG2 THR 21 -12.950 12.092 2.518 137 H ASP 22 H ASP 22 -11.411 9.776 6.301 138 HA ASP 22 HA ASP 22 -9.356 8.102 7.140 139 HB2 ASP 22 1HB ASP 22 -12.256 7.288 7.215 140 HB3 ASP 22 2HB ASP 22 -10.984 6.911 8.373 141 H ASP 23 H ASP 23 -11.805 7.606 4.645 142 HA ASP 23 HA ASP 23 -11.513 4.949 4.065 143 HB2 ASP 23 1HB ASP 23 -11.787 7.207 2.069 144 HB3 ASP 23 2HB ASP 23 -12.122 5.509 1.739 145 H GLU 24 H GLU 24 -9.405 7.603 3.054 146 HA GLU 24 HA GLU 24 -7.674 5.866 1.543 147 HB2 GLU 24 1HB GLU 24 -7.552 8.773 2.317 148 HB3 GLU 24 2HB GLU 24 -6.211 7.975 1.508 149 HG2 GLU 24 1HG GLU 24 -8.911 7.732 0.302 150 HG3 GLU 24 2HG GLU 24 -8.073 9.277 0.172 151 H LEU 25 H LEU 25 -5.167 6.406 2.085 152 HA LEU 25 HA LEU 25 -4.796 5.767 4.937 153 HB2 LEU 25 1HB LEU 25 -4.438 3.947 3.062 154 HB3 LEU 25 2HB LEU 25 -2.885 4.762 2.887 155 HG LEU 25 HG LEU 25 -2.530 4.344 5.356 156 HD11 LEU 25 1HD1 LEU 25 -3.921 3.020 6.581 157 HD12 LEU 25 2HD1 LEU 25 -4.532 2.158 5.169 158 HD13 LEU 25 3HD1 LEU 25 -5.108 3.787 5.525 159 HD21 LEU 25 1HD2 LEU 25 -1.243 2.993 4.005 160 HD22 LEU 25 2HD2 LEU 25 -2.642 2.225 3.255 161 HD23 LEU 25 3HD2 LEU 25 -2.181 1.799 4.904 162 H SER 26 H SER 26 -3.312 6.926 6.018 163 HA SER 26 HA SER 26 -1.628 8.771 4.453 164 HB2 SER 26 1HB SER 26 -2.679 9.203 7.258 165 HB3 SER 26 2HB SER 26 -1.786 10.363 6.275 166 HG SER 26 HG SER 26 -4.414 9.915 6.339 167 H PHE 27 H PHE 27 0.439 8.224 4.496 168 HA PHE 27 HA PHE 27 1.593 7.250 7.016 169 HB2 PHE 27 1HB PHE 27 3.111 5.864 5.312 170 HB3 PHE 27 2HB PHE 27 1.611 5.217 5.968 171 HD1 PHE 27 2HD PHE 27 3.037 6.984 3.038 172 HD2 PHE 27 1HD PHE 27 -0.134 4.584 4.558 173 HE1 PHE 27 2HE PHE 27 2.172 6.686 0.754 174 HE2 PHE 27 1HE PHE 27 -1.003 4.282 2.276 175 HZ PHE 27 HZ PHE 27 0.150 5.334 0.371 176 HA PRO 28 HA PRO 28 4.738 10.237 6.336 177 HB2 PRO 28 1HB PRO 28 6.833 9.055 7.595 178 HB3 PRO 28 2HB PRO 28 5.467 9.764 8.463 179 HG2 PRO 28 1HG PRO 28 5.998 6.897 7.784 180 HG3 PRO 28 2HG PRO 28 5.398 7.595 9.300 181 HD2 PRO 28 1HD PRO 28 3.762 6.426 7.486 182 HD3 PRO 28 2HD PRO 28 3.242 7.783 8.506 183 H GLU 29 H GLU 29 7.371 10.025 5.925 184 HA GLU 29 HA GLU 29 7.507 8.905 3.253 185 HB2 GLU 29 1HB GLU 29 8.367 11.182 3.746 186 HB3 GLU 29 2HB GLU 29 9.586 10.469 4.792 187 HG2 GLU 29 1HG GLU 29 10.632 9.374 2.947 188 HG3 GLU 29 2HG GLU 29 9.323 9.843 1.863 189 H GLY 30 H GLY 30 7.929 6.791 3.120 190 HA2 GLY 30 1HA GLY 30 9.526 5.040 3.093 191 HA3 GLY 30 2HA GLY 30 10.341 5.796 4.454 192 H ALA 31 H ALA 31 6.928 4.910 4.030 193 HA ALA 31 HA ALA 31 7.163 3.264 6.461 194 HB1 ALA 31 1HB ALA 31 4.484 4.096 5.543 195 HB2 ALA 31 2HB ALA 31 5.151 4.005 7.174 196 HB3 ALA 31 3HB ALA 31 5.542 5.377 6.136 197 H ILE 32 H ILE 32 6.407 1.187 6.480 198 HA ILE 32 HA ILE 32 5.942 -0.023 3.874 199 HB ILE 32 HB ILE 32 6.279 -1.326 6.578 200 HG12 ILE 32 1HG1 ILE 32 8.302 -0.153 5.845 201 HG13 ILE 32 2HG1 ILE 32 8.534 -1.896 5.778 202 HG21 ILE 32 1HG2 ILE 32 6.573 -2.694 3.930 203 HG22 ILE 32 2HG2 ILE 32 6.301 -3.398 5.524 204 HG23 ILE 32 3HG2 ILE 32 4.994 -2.545 4.703 205 HD11 ILE 32 1HD1 ILE 32 9.151 -1.719 3.668 206 HD12 ILE 32 2HD1 ILE 32 7.568 -1.058 3.256 207 HD13 ILE 32 3HD1 ILE 32 8.880 0.023 3.726 208 H ILE 33 H ILE 33 4.108 -1.113 3.275 209 HA ILE 33 HA ILE 33 1.821 -0.972 5.127 210 HB ILE 33 HB ILE 33 1.708 -0.536 2.141 211 HG12 ILE 33 1HG1 ILE 33 1.106 1.492 4.286 212 HG13 ILE 33 2HG1 ILE 33 2.719 1.313 3.606 213 HG21 ILE 33 1HG2 ILE 33 -0.523 -0.668 2.250 214 HG22 ILE 33 2HG2 ILE 33 -0.254 -1.518 3.771 215 HG23 ILE 33 3HG2 ILE 33 -0.594 0.213 3.776 216 HD11 ILE 33 1HD1 ILE 33 1.961 2.929 2.231 217 HD12 ILE 33 2HD1 ILE 33 1.328 1.544 1.343 218 HD13 ILE 33 3HD1 ILE 33 0.273 2.457 2.422 219 H ARG 34 H ARG 34 0.560 -2.754 5.286 220 HA ARG 34 HA ARG 34 1.477 -5.139 3.869 221 HB2 ARG 34 1HB ARG 34 1.336 -5.388 6.252 222 HB3 ARG 34 2HB ARG 34 -0.307 -4.761 6.274 223 HG2 ARG 34 1HG ARG 34 -1.058 -6.733 5.013 224 HG3 ARG 34 2HG ARG 34 0.589 -7.367 5.061 225 HD2 ARG 34 1HD ARG 34 -0.489 -8.447 6.829 226 HD3 ARG 34 2HD ARG 34 0.402 -7.137 7.604 227 HE ARG 34 HE ARG 34 -2.301 -6.443 6.923 228 HH11 ARG 34 2HH1 ARG 34 -0.243 -7.918 9.312 229 HH12 ARG 34 1HH1 ARG 34 -1.339 -7.632 10.623 230 HH21 ARG 34 2HH2 ARG 34 -3.753 -6.060 8.640 231 HH22 ARG 34 1HH2 ARG 34 -3.336 -6.575 10.239 232 H ILE 35 H ILE 35 0.546 -5.156 1.883 233 HA ILE 35 HA ILE 35 -1.876 -4.216 1.056 234 HB ILE 35 HB ILE 35 -0.482 -6.729 0.136 235 HG12 ILE 35 1HG1 ILE 35 0.858 -4.731 -0.170 236 HG13 ILE 35 2HG1 ILE 35 0.254 -5.265 -1.734 237 HG21 ILE 35 1HG2 ILE 35 -2.088 -5.562 -1.900 238 HG22 ILE 35 2HG2 ILE 35 -2.200 -7.173 -1.194 239 HG23 ILE 35 3HG2 ILE 35 -3.094 -5.832 -0.478 240 HD11 ILE 35 1HD1 ILE 35 -1.636 -3.565 -1.329 241 HD12 ILE 35 2HD1 ILE 35 -0.550 -2.891 -0.113 242 HD13 ILE 35 3HD1 ILE 35 -0.042 -2.976 -1.800 243 H LEU 36 H LEU 36 -3.811 -4.507 1.941 244 HA LEU 36 HA LEU 36 -4.481 -7.035 3.221 245 HB2 LEU 36 1HB LEU 36 -5.837 -4.356 3.093 246 HB3 LEU 36 2HB LEU 36 -6.611 -5.775 3.796 247 HG LEU 36 HG LEU 36 -4.052 -4.511 4.775 248 HD11 LEU 36 1HD1 LEU 36 -6.869 -3.995 5.338 249 HD12 LEU 36 2HD1 LEU 36 -5.442 -3.020 5.688 250 HD13 LEU 36 3HD1 LEU 36 -5.906 -4.327 6.778 251 HD21 LEU 36 1HD2 LEU 36 -4.894 -6.059 6.791 252 HD22 LEU 36 2HD2 LEU 36 -3.774 -6.619 5.549 253 HD23 LEU 36 3HD2 LEU 36 -5.491 -7.008 5.430 254 H ASN 37 H ASN 37 -5.812 -4.910 0.694 255 HA ASN 37 HA ASN 37 -6.824 -7.252 -0.706 256 HB2 ASN 37 1HB ASN 37 -8.580 -6.144 0.943 257 HB3 ASN 37 2HB ASN 37 -8.757 -4.998 -0.382 258 HD21 ASN 37 1HD2 ASN 37 -10.628 -6.974 0.709 259 HD22 ASN 37 2HD2 ASN 37 -11.085 -7.973 -0.625 260 H LYS 38 H LYS 38 -7.028 -6.967 -2.908 261 HA LYS 38 HA LYS 38 -6.402 -4.299 -3.974 262 HB2 LYS 38 1HB LYS 38 -5.144 -6.910 -4.837 263 HB3 LYS 38 2HB LYS 38 -4.945 -5.378 -5.678 264 HG2 LYS 38 1HG LYS 38 -4.147 -4.584 -3.285 265 HG3 LYS 38 2HG LYS 38 -3.786 -6.302 -3.110 266 HD2 LYS 38 1HD LYS 38 -2.854 -4.642 -5.445 267 HD3 LYS 38 2HD LYS 38 -1.898 -4.880 -3.981 268 HE2 LYS 38 1HE LYS 38 -2.974 -7.173 -5.600 269 HE3 LYS 38 2HE LYS 38 -1.414 -6.428 -5.941 270 HZ1 LYS 38 1HZ LYS 38 -2.202 -7.667 -3.359 271 HZ2 LYS 38 2HZ LYS 38 -0.699 -6.970 -3.703 272 HZ3 LYS 38 3HZ LYS 38 -1.188 -8.370 -4.517 273 H GLU 39 H GLU 39 -8.931 -5.692 -3.735 274 HA GLU 39 HA GLU 39 -9.962 -7.076 -5.775 275 HB2 GLU 39 1HB GLU 39 -11.081 -4.632 -4.423 276 HB3 GLU 39 2HB GLU 39 -12.003 -5.510 -5.634 277 HG2 GLU 39 1HG GLU 39 -11.813 -7.547 -4.273 278 HG3 GLU 39 2HG GLU 39 -10.949 -6.624 -3.045 279 H ASN 40 H ASN 40 -8.883 -3.741 -5.968 280 HA ASN 40 HA ASN 40 -9.909 -2.761 -8.249 281 HB2 ASN 40 1HB ASN 40 -8.290 -1.441 -7.145 282 HB3 ASN 40 2HB ASN 40 -7.058 -2.692 -7.279 283 HD21 ASN 40 1HD2 ASN 40 -5.508 -1.946 -8.531 284 HD22 ASN 40 2HD2 ASN 40 -5.724 -1.156 -10.053 285 H GLN 41 H GLN 41 -10.452 -3.987 -9.961 286 HA GLN 41 HA GLN 41 -8.603 -5.945 -11.035 287 HB2 GLN 41 1HB GLN 41 -11.228 -6.067 -10.860 288 HB3 GLN 41 2HB GLN 41 -11.162 -5.204 -12.391 289 HG2 GLN 41 1HG GLN 41 -11.313 -7.455 -12.978 290 HG3 GLN 41 2HG GLN 41 -9.610 -7.050 -13.187 291 HE21 GLN 41 1HE2 GLN 41 -11.782 -8.192 -10.619 292 HE22 GLN 41 2HE2 GLN 41 -10.706 -9.400 -10.014 293 H ASP 42 H ASP 42 -7.716 -3.241 -11.144 294 HA ASP 42 HA ASP 42 -6.539 -1.940 -12.605 295 HB2 ASP 42 1HB ASP 42 -6.368 -4.251 -13.839 296 HB3 ASP 42 2HB ASP 42 -7.511 -3.516 -14.959 297 H ASP 43 H ASP 43 -9.184 -1.317 -11.822 298 HA ASP 43 HA ASP 43 -10.230 0.030 -14.224 299 HB2 ASP 43 1HB ASP 43 -11.768 -1.600 -13.114 300 HB3 ASP 43 2HB ASP 43 -11.724 -0.593 -11.669 301 H ASP 44 H ASP 44 -8.885 0.459 -11.095 302 HA ASP 44 HA ASP 44 -9.256 3.367 -11.354 303 HB2 ASP 44 1HB ASP 44 -10.675 2.206 -9.532 304 HB3 ASP 44 2HB ASP 44 -9.152 2.012 -8.670 305 H GLY 45 H GLY 45 -7.377 0.839 -9.682 306 HA2 GLY 45 1HA GLY 45 -4.998 0.682 -9.933 307 HA3 GLY 45 2HA GLY 45 -4.954 2.412 -10.242 308 H PHE 46 H PHE 46 -6.921 1.237 -7.654 309 HA PHE 46 HA PHE 46 -4.916 2.215 -5.728 310 HB2 PHE 46 1HB PHE 46 -7.932 2.409 -5.591 311 HB3 PHE 46 2HB PHE 46 -6.841 2.871 -4.289 312 HD1 PHE 46 2HD PHE 46 -7.115 3.504 -7.961 313 HD2 PHE 46 1HD PHE 46 -6.512 5.120 -4.070 314 HE1 PHE 46 2HE PHE 46 -6.919 5.757 -8.930 315 HE2 PHE 46 1HE PHE 46 -6.316 7.376 -5.033 316 HZ PHE 46 HZ PHE 46 -6.518 7.696 -7.466 317 H TRP 47 H TRP 47 -4.671 1.107 -3.785 318 HA TRP 47 HA TRP 47 -6.023 -1.506 -3.630 319 HB2 TRP 47 1HB TRP 47 -3.128 -0.900 -2.992 320 HB3 TRP 47 2HB TRP 47 -3.923 -2.447 -2.715 321 HD1 TRP 47 HD TRP 47 -5.505 -2.272 -5.638 322 HE1 TRP 47 1HE TRP 47 -4.143 -2.910 -7.726 323 HE3 TRP 47 3HE TRP 47 -0.793 -1.686 -3.743 324 HZ2 TRP 47 2HZ TRP 47 -1.429 -3.136 -8.471 325 HZ3 TRP 47 3HZ TRP 47 1.131 -2.134 -5.209 326 HH2 TRP 47 HH TRP 47 0.818 -2.844 -7.524 327 H GLU 48 H GLU 48 -5.893 -2.472 -1.397 328 HA GLU 48 HA GLU 48 -6.177 -0.344 0.622 329 HB2 GLU 48 1HB GLU 48 -8.312 -1.434 0.049 330 HB3 GLU 48 2HB GLU 48 -7.627 -2.993 0.484 331 HG2 GLU 48 1HG GLU 48 -7.238 -2.010 2.790 332 HG3 GLU 48 2HG GLU 48 -8.280 -0.683 2.280 333 H GLY 49 H GLY 49 -4.816 -0.417 2.284 334 HA2 GLY 49 1HA GLY 49 -3.752 -3.008 3.154 335 HA3 GLY 49 2HA GLY 49 -2.610 -1.752 2.698 336 H GLU 50 H GLU 50 -2.575 -2.872 5.222 337 HA GLU 50 HA GLU 50 -3.785 -0.809 6.933 338 HB2 GLU 50 1HB GLU 50 -4.333 -3.206 7.409 339 HB3 GLU 50 2HB GLU 50 -2.634 -3.474 7.768 340 HG2 GLU 50 1HG GLU 50 -2.734 -1.937 9.618 341 HG3 GLU 50 2HG GLU 50 -4.399 -1.519 9.221 342 H PHE 51 H PHE 51 -2.537 0.203 8.551 343 HA PHE 51 HA PHE 51 0.338 -0.207 8.556 344 HB2 PHE 51 1HB PHE 51 0.352 1.371 6.828 345 HB3 PHE 51 2HB PHE 51 -0.989 2.279 7.518 346 HD1 PHE 51 2HD PHE 51 2.531 1.320 8.276 347 HD2 PHE 51 1HD PHE 51 -0.546 4.239 8.640 348 HE1 PHE 51 2HE PHE 51 4.128 2.869 9.326 349 HE2 PHE 51 1HE PHE 51 1.047 5.793 9.689 350 HZ PHE 51 HZ PHE 51 3.387 5.108 10.035 351 H ASN 52 H ASN 52 1.142 0.052 10.542 352 HA ASN 52 HA ASN 52 0.973 0.198 12.844 353 HB2 ASN 52 1HB ASN 52 1.916 2.394 11.855 354 HB3 ASN 52 2HB ASN 52 0.353 3.088 12.278 355 HD21 ASN 52 1HD2 ASN 52 1.065 4.444 13.849 356 HD22 ASN 52 2HD2 ASN 52 1.741 3.907 15.346 357 H GLY 53 H GLY 53 -1.537 -0.563 11.689 358 HA2 GLY 53 1HA GLY 53 -3.605 -1.002 12.667 359 HA3 GLY 53 2HA GLY 53 -3.257 0.214 13.887 360 H ARG 54 H ARG 54 -3.188 0.632 10.379 361 HA ARG 54 HA ARG 54 -5.636 2.230 10.517 362 HB2 ARG 54 1HB ARG 54 -2.943 3.204 9.583 363 HB3 ARG 54 2HB ARG 54 -4.439 3.957 9.049 364 HG2 ARG 54 1HG ARG 54 -4.936 4.119 11.604 365 HG3 ARG 54 2HG ARG 54 -3.187 3.937 11.752 366 HD2 ARG 54 1HD ARG 54 -3.308 6.207 11.602 367 HD3 ARG 54 2HD ARG 54 -3.203 5.813 9.886 368 HE ARG 54 HE ARG 54 -5.335 6.596 9.618 369 HH11 ARG 54 2HH1 ARG 54 -4.755 6.026 13.003 370 HH12 ARG 54 1HH1 ARG 54 -6.247 6.743 13.513 371 HH21 ARG 54 2HH2 ARG 54 -7.302 7.543 10.276 372 HH22 ARG 54 1HH2 ARG 54 -7.696 7.605 11.961 373 H ILE 55 H ILE 55 -6.962 1.542 8.986 374 HA ILE 55 HA ILE 55 -5.826 0.288 6.583 375 HB ILE 55 HB ILE 55 -8.625 0.075 7.698 376 HG12 ILE 55 1HG1 ILE 55 -6.439 -2.012 7.619 377 HG13 ILE 55 2HG1 ILE 55 -6.817 -1.041 9.037 378 HG21 ILE 55 1HG2 ILE 55 -9.012 -1.604 6.019 379 HG22 ILE 55 2HG2 ILE 55 -8.472 -0.121 5.234 380 HG23 ILE 55 3HG2 ILE 55 -7.351 -1.466 5.444 381 HD11 ILE 55 1HD1 ILE 55 -7.829 -3.472 8.603 382 HD12 ILE 55 2HD1 ILE 55 -8.679 -2.219 9.507 383 HD13 ILE 55 3HD1 ILE 55 -9.067 -2.498 7.810 384 H GLY 56 H GLY 56 -6.342 0.985 4.552 385 HA2 GLY 56 1HA GLY 56 -8.472 2.743 3.940 386 HA3 GLY 56 2HA GLY 56 -6.991 3.666 4.143 387 H VAL 57 H VAL 57 -7.921 3.986 1.773 388 HA VAL 57 HA VAL 57 -6.655 1.992 0.016 389 HB VAL 57 HB VAL 57 -8.021 2.926 -1.800 390 HG11 VAL 57 1HG1 VAL 57 -9.257 1.807 0.661 391 HG12 VAL 57 2HG1 VAL 57 -10.323 2.349 -0.637 392 HG13 VAL 57 3HG1 VAL 57 -9.111 1.106 -0.950 393 HG21 VAL 57 1HG2 VAL 57 -8.895 4.805 0.358 394 HG22 VAL 57 2HG2 VAL 57 -8.394 5.159 -1.295 395 HG23 VAL 57 3HG2 VAL 57 -9.970 4.429 -0.989 396 H PHE 58 H PHE 58 -5.145 2.598 -1.489 397 HA PHE 58 HA PHE 58 -4.324 5.422 -1.506 398 HB2 PHE 58 1HB PHE 58 -1.932 4.482 -1.732 399 HB3 PHE 58 2HB PHE 58 -2.675 4.472 -0.136 400 HD1 PHE 58 2HD PHE 58 -4.066 2.236 0.350 401 HD2 PHE 58 1HD PHE 58 -0.820 2.593 -2.380 402 HE1 PHE 58 2HE PHE 58 -3.660 -0.184 0.522 403 HE2 PHE 58 1HE PHE 58 -0.409 0.173 -2.213 404 HZ PHE 58 HZ PHE 58 -1.828 -1.219 -0.759 405 HA PRO 59 HA PRO 59 -4.238 5.149 -5.883 406 HB2 PRO 59 1HB PRO 59 -2.170 6.797 -6.497 407 HB3 PRO 59 2HB PRO 59 -3.725 7.389 -5.903 408 HG2 PRO 59 1HG PRO 59 -1.169 6.951 -4.408 409 HG3 PRO 59 2HG PRO 59 -2.305 8.308 -4.307 410 HD2 PRO 59 1HD PRO 59 -2.261 6.306 -2.484 411 HD3 PRO 59 2HD PRO 59 -3.754 7.157 -2.933 412 H SER 60 H SER 60 -1.776 3.872 -4.000 413 HA SER 60 HA SER 60 -0.022 2.464 -4.375 414 HB2 SER 60 1HB SER 60 -1.871 1.058 -5.198 415 HB3 SER 60 2HB SER 60 -1.671 1.743 -6.811 416 HG SER 60 HG SER 60 -0.340 0.130 -7.053 417 H VAL 61 H VAL 61 0.052 5.178 -5.594 418 HA VAL 61 HA VAL 61 1.910 4.653 -7.820 419 HB VAL 61 HB VAL 61 1.517 6.900 -8.595 420 HG11 VAL 61 1HG1 VAL 61 -1.283 6.429 -8.255 421 HG12 VAL 61 2HG1 VAL 61 -0.277 6.171 -9.682 422 HG13 VAL 61 3HG1 VAL 61 -0.454 4.890 -8.483 423 HG21 VAL 61 1HG2 VAL 61 -0.239 7.215 -6.162 424 HG22 VAL 61 2HG2 VAL 61 1.294 8.034 -6.464 425 HG23 VAL 61 3HG2 VAL 61 -0.107 8.382 -7.478 426 H LEU 62 H LEU 62 1.496 6.299 -4.750 427 HA LEU 62 HA LEU 62 4.096 7.546 -4.849 428 HB2 LEU 62 1HB LEU 62 2.178 7.255 -2.542 429 HB3 LEU 62 2HB LEU 62 3.591 8.307 -2.593 430 HG LEU 62 HG LEU 62 1.217 8.603 -4.427 431 HD11 LEU 62 1HD1 LEU 62 0.179 9.191 -2.504 432 HD12 LEU 62 2HD1 LEU 62 1.017 10.712 -2.807 433 HD13 LEU 62 3HD1 LEU 62 1.688 9.549 -1.664 434 HD21 LEU 62 1HD2 LEU 62 3.808 9.950 -4.107 435 HD22 LEU 62 2HD2 LEU 62 2.416 11.026 -4.230 436 HD23 LEU 62 3HD2 LEU 62 2.741 9.853 -5.507 437 H VAL 63 H VAL 63 3.024 4.459 -4.248 438 HA VAL 63 HA VAL 63 5.257 3.874 -2.418 439 HB VAL 63 HB VAL 63 4.125 1.867 -1.761 440 HG11 VAL 63 1HG1 VAL 63 2.824 4.465 -1.577 441 HG12 VAL 63 2HG1 VAL 63 1.709 3.116 -1.351 442 HG13 VAL 63 3HG1 VAL 63 3.136 3.263 -0.325 443 HG21 VAL 63 1HG2 VAL 63 3.026 0.858 -3.453 444 HG22 VAL 63 2HG2 VAL 63 1.644 1.748 -2.814 445 HG23 VAL 63 3HG2 VAL 63 2.541 2.385 -4.192 446 H GLU 64 H GLU 64 6.503 1.945 -2.802 447 HA GLU 64 HA GLU 64 6.535 1.127 -5.633 448 HB2 GLU 64 1HB GLU 64 8.885 1.148 -5.672 449 HB3 GLU 64 2HB GLU 64 8.442 2.635 -4.845 450 HG2 GLU 64 1HG GLU 64 9.019 1.741 -2.732 451 HG3 GLU 64 2HG GLU 64 9.168 0.112 -3.388 452 H GLU 65 H GLU 65 6.833 -1.020 -6.090 453 HA GLU 65 HA GLU 65 6.068 -2.897 -4.124 454 HB2 GLU 65 1HB GLU 65 7.216 -3.220 -6.894 455 HB3 GLU 65 2HB GLU 65 6.742 -4.588 -5.897 456 HG2 GLU 65 1HG GLU 65 4.510 -4.132 -6.082 457 HG3 GLU 65 2HG GLU 65 4.771 -2.411 -6.356 458 H LEU 66 H LEU 66 7.237 -3.858 -2.608 459 HA LEU 66 HA LEU 66 10.066 -3.471 -2.440 460 HB2 LEU 66 1HB LEU 66 8.028 -4.918 -0.793 461 HB3 LEU 66 2HB LEU 66 9.748 -5.138 -0.478 462 HG LEU 66 HG LEU 66 8.629 -2.373 -0.556 463 HD11 LEU 66 1HD1 LEU 66 7.061 -3.515 0.868 464 HD12 LEU 66 2HD1 LEU 66 8.148 -2.547 1.864 465 HD13 LEU 66 3HD1 LEU 66 8.373 -4.292 1.754 466 HD21 LEU 66 1HD2 LEU 66 10.801 -2.067 -0.114 467 HD22 LEU 66 2HD2 LEU 66 11.042 -3.749 0.358 468 HD23 LEU 66 3HD2 LEU 66 10.392 -2.591 1.519 469 H SER 67 H SER 67 10.853 -4.480 -4.336 470 HA SER 67 HA SER 67 10.751 -7.425 -4.286 471 HB2 SER 67 1HB SER 67 11.351 -5.646 -6.660 472 HB3 SER 67 2HB SER 67 11.158 -7.398 -6.680 473 HG SER 67 HG SER 67 8.972 -6.880 -5.776 474 H SER 68 H SER 68 12.512 -8.066 -3.195 475 HA SER 68 HA SER 68 15.109 -6.923 -3.994 476 HB2 SER 68 1HB SER 68 14.049 -7.767 -1.327 477 HB3 SER 68 2HB SER 68 15.776 -7.925 -1.644 478 HG SER 68 HG SER 68 15.591 -5.631 -2.350 479 H GLY 69 H GLY 69 15.574 -8.388 -5.615 480 HA2 GLY 69 1HA GLY 69 16.953 -10.303 -6.036 481 HA3 GLY 69 2HA GLY 69 16.201 -11.100 -4.662 482 HA PRO 70 HA PRO 70 14.150 -12.156 -8.847 483 HB2 PRO 70 1HB PRO 70 15.320 -14.564 -9.303 484 HB3 PRO 70 2HB PRO 70 15.977 -13.044 -9.922 485 HG2 PRO 70 1HG PRO 70 16.795 -14.619 -7.511 486 HG3 PRO 70 2HG PRO 70 17.812 -13.821 -8.725 487 HD2 PRO 70 1HD PRO 70 17.310 -12.728 -6.300 488 HD3 PRO 70 2HD PRO 70 17.558 -11.745 -7.757 489 H SER 71 H SER 71 12.855 -14.194 -9.255 490 HA SER 71 HA SER 71 11.327 -14.816 -6.972 491 HB2 SER 71 1HB SER 71 10.212 -16.487 -8.450 492 HB3 SER 71 2HB SER 71 10.332 -14.888 -9.184 493 HG SER 71 HG SER 71 11.091 -16.118 -10.762 494 H SER 72 H SER 72 12.787 -15.610 -5.413 495 HA SER 72 HA SER 72 13.961 -17.182 -4.255 496 HB2 SER 72 1HB SER 72 12.182 -18.958 -5.935 497 HB3 SER 72 2HB SER 72 13.203 -19.564 -4.631 498 HG SER 72 HG SER 72 10.836 -18.166 -4.516 499 H GLY 73 H GLY 73 15.354 -16.126 -6.412 500 HA2 GLY 73 1HA GLY 73 16.659 -18.408 -7.710 501 HA3 GLY 73 2HA GLY 73 16.851 -16.719 -8.156 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -4.631 -25.171 -2.167 2 HA2 GLY 1 1HA GLY 1 -6.057 -27.110 -2.017 3 HA3 GLY 1 2HA GLY 1 -5.277 -27.509 -0.494 4 H SER 2 H SER 2 -7.430 -25.178 -2.055 5 HA SER 2 HA SER 2 -9.117 -23.879 -1.251 6 HB2 SER 2 1HB SER 2 -9.201 -26.316 0.469 7 HB3 SER 2 2HB SER 2 -10.202 -24.939 0.930 8 HG SER 2 HG SER 2 -10.413 -26.647 -1.243 9 H SER 3 H SER 3 -6.438 -23.248 -0.415 10 HA SER 3 HA SER 3 -7.094 -21.679 1.965 11 HB2 SER 3 1HB SER 3 -4.877 -23.673 1.724 12 HB3 SER 3 2HB SER 3 -4.607 -22.211 2.673 13 HG SER 3 HG SER 3 -6.973 -23.605 3.128 14 H GLY 4 H GLY 4 -6.535 -19.614 1.720 15 HA2 GLY 4 1HA GLY 4 -5.612 -18.459 -0.567 16 HA3 GLY 4 2HA GLY 4 -5.385 -17.741 1.021 17 H SER 5 H SER 5 -3.556 -17.221 -0.910 18 HA SER 5 HA SER 5 -1.323 -19.058 -0.589 19 HB2 SER 5 1HB SER 5 -1.830 -18.042 -2.808 20 HB3 SER 5 2HB SER 5 -1.447 -16.458 -2.135 21 HG SER 5 HG SER 5 0.451 -18.472 -1.822 22 H SER 6 H SER 6 -0.157 -18.893 1.205 23 HA SER 6 HA SER 6 -0.087 -16.624 2.877 24 HB2 SER 6 1HB SER 6 1.391 -19.212 2.744 25 HB3 SER 6 2HB SER 6 2.068 -17.926 3.742 26 HG SER 6 HG SER 6 0.600 -19.315 4.877 27 H GLY 7 H GLY 7 1.784 -15.315 3.430 28 HA2 GLY 7 1HA GLY 7 3.920 -14.392 2.920 29 HA3 GLY 7 2HA GLY 7 3.792 -15.067 1.303 30 H VAL 8 H VAL 8 2.053 -12.759 3.394 31 HA VAL 8 HA VAL 8 0.899 -11.296 1.287 32 HB VAL 8 HB VAL 8 1.551 -10.384 4.093 33 HG11 VAL 8 1HG1 VAL 8 -0.095 -9.153 1.904 34 HG12 VAL 8 2HG1 VAL 8 -0.367 -8.771 3.605 35 HG13 VAL 8 3HG1 VAL 8 1.192 -8.421 2.860 36 HG21 VAL 8 1HG2 VAL 8 -0.591 -11.084 4.728 37 HG22 VAL 8 2HG2 VAL 8 -1.131 -11.253 3.058 38 HG23 VAL 8 3HG2 VAL 8 0.020 -12.406 3.733 39 H CYS 9 H CYS 9 1.513 -9.459 0.212 40 HA CYS 9 HA CYS 9 4.353 -8.944 0.096 41 HB2 CYS 9 1HB CYS 9 2.555 -9.000 -1.845 42 HB3 CYS 9 2HB CYS 9 2.369 -7.303 -1.419 43 HG CYS 9 HG CYS 9 5.567 -8.092 -1.748 44 H PHE 10 H PHE 10 5.101 -6.619 -0.035 45 HA PHE 10 HA PHE 10 3.612 -4.773 1.650 46 HB2 PHE 10 1HB PHE 10 6.339 -5.851 2.374 47 HB3 PHE 10 2HB PHE 10 5.673 -4.374 3.064 48 HD1 PHE 10 2HD PHE 10 5.131 -8.019 2.751 49 HD2 PHE 10 1HD PHE 10 4.159 -4.447 4.852 50 HE1 PHE 10 2HE PHE 10 3.977 -9.348 4.469 51 HE2 PHE 10 1HE PHE 10 3.004 -5.771 6.575 52 HZ PHE 10 HZ PHE 10 2.911 -8.225 6.384 53 H VAL 11 H VAL 11 4.060 -2.645 1.245 54 HA VAL 11 HA VAL 11 6.219 -2.071 -0.674 55 HB VAL 11 HB VAL 11 4.807 -0.484 -1.843 56 HG11 VAL 11 1HG1 VAL 11 3.305 -3.085 -1.612 57 HG12 VAL 11 2HG1 VAL 11 3.398 -2.010 -3.009 58 HG13 VAL 11 3HG1 VAL 11 4.825 -2.908 -2.489 59 HG21 VAL 11 1HG2 VAL 11 2.431 -1.415 -0.269 60 HG22 VAL 11 2HG2 VAL 11 3.403 -0.047 0.272 61 HG23 VAL 11 3HG2 VAL 11 2.595 0.011 -1.294 62 H LYS 12 H LYS 12 7.206 -0.051 -0.500 63 HA LYS 12 HA LYS 12 6.741 1.298 2.068 64 HB2 LYS 12 1HB LYS 12 8.992 0.432 1.791 65 HB3 LYS 12 2HB LYS 12 9.161 1.272 0.255 66 HG2 LYS 12 1HG LYS 12 9.014 3.420 1.413 67 HG3 LYS 12 2HG LYS 12 8.854 2.574 2.954 68 HD2 LYS 12 1HD LYS 12 11.104 2.981 2.965 69 HD3 LYS 12 2HD LYS 12 11.089 1.417 2.148 70 HE2 LYS 12 1HE LYS 12 11.162 2.553 -0.019 71 HE3 LYS 12 2HE LYS 12 11.171 4.115 0.798 72 HZ1 LYS 12 1HZ LYS 12 13.316 3.852 1.484 73 HZ2 LYS 12 2HZ LYS 12 13.384 2.996 0.027 74 HZ3 LYS 12 3HZ LYS 12 13.244 2.161 1.492 75 H ALA 13 H ALA 13 5.986 3.317 2.131 76 HA ALA 13 HA ALA 13 5.072 4.621 -0.204 77 HB1 ALA 13 1HB ALA 13 5.306 5.479 2.664 78 HB2 ALA 13 2HB ALA 13 4.695 6.559 1.410 79 HB3 ALA 13 3HB ALA 13 3.857 5.047 1.756 80 H LEU 14 H LEU 14 6.744 5.030 -1.624 81 HA LEU 14 HA LEU 14 9.249 6.047 -1.076 82 HB2 LEU 14 1HB LEU 14 7.528 6.612 -3.485 83 HB3 LEU 14 2HB LEU 14 9.270 6.864 -3.391 84 HG LEU 14 HG LEU 14 8.128 4.136 -2.935 85 HD11 LEU 14 1HD1 LEU 14 7.149 4.334 -4.968 86 HD12 LEU 14 2HD1 LEU 14 8.785 3.967 -5.513 87 HD13 LEU 14 3HD1 LEU 14 8.220 5.638 -5.484 88 HD21 LEU 14 1HD2 LEU 14 10.452 3.960 -4.382 89 HD22 LEU 14 2HD2 LEU 14 10.318 3.813 -2.629 90 HD23 LEU 14 3HD2 LEU 14 10.740 5.365 -3.355 91 H TYR 15 H TYR 15 6.209 7.779 -1.520 92 HA TYR 15 HA TYR 15 7.506 10.181 -0.433 93 HB2 TYR 15 1HB TYR 15 5.412 10.309 -2.599 94 HB3 TYR 15 2HB TYR 15 6.430 11.612 -1.998 95 HD1 TYR 15 1HD TYR 15 6.366 8.558 -4.058 96 HD2 TYR 15 2HD TYR 15 8.659 11.922 -2.820 97 HE1 TYR 15 1HE TYR 15 7.998 8.094 -5.839 98 HE2 TYR 15 2HE TYR 15 10.296 11.468 -4.598 99 HH TYR 15 HH TYR 15 9.743 9.612 -7.177 100 H ASP 16 H ASP 16 6.473 11.014 1.259 101 HA ASP 16 HA ASP 16 4.491 9.898 2.683 102 HB2 ASP 16 1HB ASP 16 5.366 11.696 3.799 103 HB3 ASP 16 2HB ASP 16 5.374 12.719 2.365 104 H TYR 17 H TYR 17 2.272 9.888 2.792 105 HA TYR 17 HA TYR 17 0.844 11.083 0.508 106 HB2 TYR 17 1HB TYR 17 1.025 8.667 0.187 107 HB3 TYR 17 2HB TYR 17 0.338 8.386 1.783 108 HD1 TYR 17 1HD TYR 17 -2.044 9.392 2.182 109 HD2 TYR 17 2HD TYR 17 -0.372 8.669 -1.663 110 HE1 TYR 17 1HE TYR 17 -4.303 9.371 1.210 111 HE2 TYR 17 2HE TYR 17 -2.627 8.647 -2.646 112 HH TYR 17 HH TYR 17 -5.514 8.881 -0.626 113 H GLU 18 H GLU 18 -0.469 12.621 1.210 114 HA GLU 18 HA GLU 18 -1.567 12.456 3.919 115 HB2 GLU 18 1HB GLU 18 -0.424 14.532 3.326 116 HB3 GLU 18 2HB GLU 18 -1.499 14.752 1.953 117 HG2 GLU 18 1HG GLU 18 -2.443 16.153 3.493 118 HG3 GLU 18 2HG GLU 18 -3.372 14.678 3.757 119 H GLY 19 H GLY 19 -3.346 11.180 3.862 120 HA2 GLY 19 1HA GLY 19 -5.190 11.093 1.708 121 HA3 GLY 19 2HA GLY 19 -5.452 10.440 3.318 122 H GLN 20 H GLN 20 -6.955 12.254 1.257 123 HA GLN 20 HA GLN 20 -7.442 14.695 2.619 124 HB2 GLN 20 1HB GLN 20 -9.086 13.242 0.540 125 HB3 GLN 20 2HB GLN 20 -9.394 14.884 1.089 126 HG2 GLN 20 1HG GLN 20 -6.823 13.996 -0.194 127 HG3 GLN 20 2HG GLN 20 -8.172 14.717 -1.072 128 HE21 GLN 20 1HE2 GLN 20 -8.158 16.835 -1.303 129 HE22 GLN 20 2HE2 GLN 20 -7.228 17.953 -0.370 130 H THR 21 H THR 21 -8.861 11.505 2.770 131 HA THR 21 HA THR 21 -10.498 12.400 5.039 132 HB THR 21 HB THR 21 -12.346 10.937 4.324 133 HG1 THR 21 1HG THR 21 -11.494 9.450 2.977 134 HG21 THR 21 1HG2 THR 21 -11.505 13.366 2.994 135 HG22 THR 21 2HG2 THR 21 -13.116 12.871 3.515 136 HG23 THR 21 3HG2 THR 21 -12.505 12.369 1.939 137 H ASP 22 H ASP 22 -11.439 10.360 6.181 138 HA ASP 22 HA ASP 22 -9.278 8.870 7.176 139 HB2 ASP 22 1HB ASP 22 -12.228 8.227 7.371 140 HB3 ASP 22 2HB ASP 22 -10.955 7.580 8.403 141 H ASP 23 H ASP 23 -11.782 8.070 4.813 142 HA ASP 23 HA ASP 23 -11.435 5.392 4.454 143 HB2 ASP 23 1HB ASP 23 -11.834 7.517 2.341 144 HB3 ASP 23 2HB ASP 23 -11.988 5.789 2.034 145 H GLU 24 H GLU 24 -9.368 7.976 3.213 146 HA GLU 24 HA GLU 24 -7.651 6.203 1.761 147 HB2 GLU 24 1HB GLU 24 -7.206 9.063 2.637 148 HB3 GLU 24 2HB GLU 24 -6.209 8.182 1.488 149 HG2 GLU 24 1HG GLU 24 -8.107 7.990 -0.027 150 HG3 GLU 24 2HG GLU 24 -9.121 8.853 1.128 151 H LEU 25 H LEU 25 -5.145 6.596 2.284 152 HA LEU 25 HA LEU 25 -4.776 5.989 5.143 153 HB2 LEU 25 1HB LEU 25 -4.511 4.134 3.288 154 HB3 LEU 25 2HB LEU 25 -2.928 4.882 3.087 155 HG LEU 25 HG LEU 25 -2.549 4.474 5.547 156 HD11 LEU 25 1HD1 LEU 25 -4.256 3.800 6.789 157 HD12 LEU 25 2HD1 LEU 25 -4.272 2.282 5.893 158 HD13 LEU 25 3HD1 LEU 25 -5.278 3.629 5.361 159 HD21 LEU 25 1HD2 LEU 25 -2.996 2.073 3.775 160 HD22 LEU 25 2HD2 LEU 25 -1.998 2.112 5.228 161 HD23 LEU 25 3HD2 LEU 25 -1.545 3.075 3.821 162 H SER 26 H SER 26 -3.303 7.165 6.198 163 HA SER 26 HA SER 26 -1.561 8.925 4.604 164 HB2 SER 26 1HB SER 26 -1.551 10.425 6.577 165 HB3 SER 26 2HB SER 26 -3.177 10.167 5.946 166 HG SER 26 HG SER 26 -2.000 8.914 8.204 167 H PHE 27 H PHE 27 0.487 8.308 4.570 168 HA PHE 27 HA PHE 27 1.690 7.261 7.037 169 HB2 PHE 27 1HB PHE 27 3.103 5.848 5.267 170 HB3 PHE 27 2HB PHE 27 1.604 5.243 5.962 171 HD1 PHE 27 2HD PHE 27 2.967 7.049 3.020 172 HD2 PHE 27 1HD PHE 27 -0.175 4.645 4.591 173 HE1 PHE 27 2HE PHE 27 2.021 6.814 0.761 174 HE2 PHE 27 1HE PHE 27 -1.125 4.406 2.334 175 HZ PHE 27 HZ PHE 27 -0.028 5.492 0.416 176 HA PRO 28 HA PRO 28 4.871 10.196 6.279 177 HB2 PRO 28 1HB PRO 28 6.939 8.998 7.568 178 HB3 PRO 28 2HB PRO 28 5.590 9.761 8.418 179 HG2 PRO 28 1HG PRO 28 6.053 6.866 7.815 180 HG3 PRO 28 2HG PRO 28 5.470 7.618 9.312 181 HD2 PRO 28 1HD PRO 28 3.806 6.441 7.529 182 HD3 PRO 28 2HD PRO 28 3.319 7.836 8.513 183 H GLU 29 H GLU 29 7.013 10.453 5.299 184 HA GLU 29 HA GLU 29 7.255 9.032 2.882 185 HB2 GLU 29 1HB GLU 29 8.071 11.281 3.002 186 HB3 GLU 29 2HB GLU 29 9.160 10.876 4.321 187 HG2 GLU 29 1HG GLU 29 10.300 9.300 2.684 188 HG3 GLU 29 2HG GLU 29 9.378 10.124 1.428 189 H GLY 30 H GLY 30 7.657 6.894 2.926 190 HA2 GLY 30 1HA GLY 30 9.325 5.195 2.863 191 HA3 GLY 30 2HA GLY 30 10.198 6.047 4.127 192 H ALA 31 H ALA 31 6.826 4.933 3.881 193 HA ALA 31 HA ALA 31 7.234 3.491 6.419 194 HB1 ALA 31 1HB ALA 31 5.653 5.421 6.488 195 HB2 ALA 31 2HB ALA 31 4.620 4.547 5.357 196 HB3 ALA 31 3HB ALA 31 4.938 3.878 6.957 197 H ILE 32 H ILE 32 6.485 1.404 6.631 198 HA ILE 32 HA ILE 32 6.148 -0.055 4.158 199 HB ILE 32 HB ILE 32 6.245 -1.009 7.021 200 HG12 ILE 32 1HG1 ILE 32 8.406 -0.302 6.522 201 HG13 ILE 32 2HG1 ILE 32 8.457 -1.999 6.057 202 HG21 ILE 32 1HG2 ILE 32 4.919 -2.498 5.564 203 HG22 ILE 32 2HG2 ILE 32 6.310 -2.647 4.492 204 HG23 ILE 32 3HG2 ILE 32 6.403 -3.254 6.145 205 HD11 ILE 32 1HD1 ILE 32 9.494 -0.956 4.287 206 HD12 ILE 32 2HD1 ILE 32 7.835 -1.111 3.707 207 HD13 ILE 32 3HD1 ILE 32 8.410 0.434 4.334 208 H ILE 33 H ILE 33 4.339 -1.094 3.454 209 HA ILE 33 HA ILE 33 1.912 -0.884 5.102 210 HB ILE 33 HB ILE 33 2.008 -0.333 2.134 211 HG12 ILE 33 1HG1 ILE 33 1.272 1.706 4.201 212 HG13 ILE 33 2HG1 ILE 33 2.972 1.398 3.862 213 HG21 ILE 33 1HG2 ILE 33 -0.200 -0.561 2.133 214 HG22 ILE 33 2HG2 ILE 33 -0.100 -1.158 3.788 215 HG23 ILE 33 3HG2 ILE 33 -0.359 0.560 3.485 216 HD11 ILE 33 1HD1 ILE 33 1.579 1.719 1.398 217 HD12 ILE 33 2HD1 ILE 33 1.194 3.068 2.469 218 HD13 ILE 33 3HD1 ILE 33 2.875 2.699 2.083 219 H ARG 34 H ARG 34 0.675 -2.670 5.157 220 HA ARG 34 HA ARG 34 1.635 -5.022 3.752 221 HB2 ARG 34 1HB ARG 34 1.065 -5.126 6.161 222 HB3 ARG 34 2HB ARG 34 -0.606 -4.749 5.763 223 HG2 ARG 34 1HG ARG 34 -0.944 -6.817 4.720 224 HG3 ARG 34 2HG ARG 34 0.788 -7.138 4.607 225 HD2 ARG 34 1HD ARG 34 0.035 -8.501 6.361 226 HD3 ARG 34 2HD ARG 34 0.789 -7.119 7.154 227 HE ARG 34 HE ARG 34 -1.797 -6.380 7.018 228 HH11 ARG 34 2HH1 ARG 34 -0.224 -9.275 8.143 229 HH12 ARG 34 1HH1 ARG 34 -1.435 -9.627 9.331 230 HH21 ARG 34 2HH2 ARG 34 -3.398 -6.833 8.579 231 HH22 ARG 34 1HH2 ARG 34 -3.240 -8.238 9.578 232 H ILE 35 H ILE 35 0.883 -5.530 1.813 233 HA ILE 35 HA ILE 35 -1.492 -4.349 0.737 234 HB ILE 35 HB ILE 35 0.209 -6.574 -0.393 235 HG12 ILE 35 1HG1 ILE 35 1.408 -4.415 0.034 236 HG13 ILE 35 2HG1 ILE 35 1.350 -4.877 -1.663 237 HG21 ILE 35 1HG2 ILE 35 -2.289 -5.870 -1.192 238 HG22 ILE 35 2HG2 ILE 35 -1.294 -4.820 -2.200 239 HG23 ILE 35 3HG2 ILE 35 -1.060 -6.567 -2.246 240 HD11 ILE 35 1HD1 ILE 35 0.616 -2.440 -0.550 241 HD12 ILE 35 2HD1 ILE 35 0.341 -2.986 -2.204 242 HD13 ILE 35 3HD1 ILE 35 -0.903 -3.227 -0.978 243 H LEU 36 H LEU 36 -3.281 -5.018 1.867 244 HA LEU 36 HA LEU 36 -3.774 -7.762 2.502 245 HB2 LEU 36 1HB LEU 36 -5.717 -5.460 2.437 246 HB3 LEU 36 2HB LEU 36 -5.946 -7.006 3.252 247 HG LEU 36 HG LEU 36 -3.789 -5.039 4.001 248 HD11 LEU 36 1HD1 LEU 36 -5.326 -4.583 5.963 249 HD12 LEU 36 2HD1 LEU 36 -6.607 -5.322 5.004 250 HD13 LEU 36 3HD1 LEU 36 -5.791 -3.874 4.417 251 HD21 LEU 36 1HD2 LEU 36 -3.602 -6.338 6.002 252 HD22 LEU 36 2HD2 LEU 36 -3.489 -7.434 4.625 253 HD23 LEU 36 3HD2 LEU 36 -4.988 -7.330 5.549 254 H ASN 37 H ASN 37 -5.364 -5.495 0.251 255 HA ASN 37 HA ASN 37 -5.856 -7.735 -1.567 256 HB2 ASN 37 1HB ASN 37 -7.936 -5.977 -0.314 257 HB3 ASN 37 2HB ASN 37 -8.195 -6.611 -1.936 258 HD21 ASN 37 1HD2 ASN 37 -8.892 -7.135 1.174 259 HD22 ASN 37 2HD2 ASN 37 -9.092 -8.851 1.167 260 H LYS 38 H LYS 38 -4.918 -7.171 -3.408 261 HA LYS 38 HA LYS 38 -5.238 -4.401 -4.356 262 HB2 LYS 38 1HB LYS 38 -3.014 -4.490 -5.328 263 HB3 LYS 38 2HB LYS 38 -2.925 -4.816 -3.602 264 HG2 LYS 38 1HG LYS 38 -2.496 -7.091 -3.937 265 HG3 LYS 38 2HG LYS 38 -3.035 -7.034 -5.617 266 HD2 LYS 38 1HD LYS 38 -1.060 -5.297 -5.830 267 HD3 LYS 38 2HD LYS 38 -0.456 -6.156 -4.411 268 HE2 LYS 38 1HE LYS 38 0.464 -7.143 -6.416 269 HE3 LYS 38 2HE LYS 38 -0.646 -8.278 -5.650 270 HZ1 LYS 38 1HZ LYS 38 -1.974 -6.615 -7.547 271 HZ2 LYS 38 2HZ LYS 38 -1.923 -8.303 -7.450 272 HZ3 LYS 38 3HZ LYS 38 -0.699 -7.465 -8.263 273 H GLU 39 H GLU 39 -6.882 -6.727 -4.918 274 HA GLU 39 HA GLU 39 -6.223 -7.332 -7.706 275 HB2 GLU 39 1HB GLU 39 -8.123 -8.553 -5.718 276 HB3 GLU 39 2HB GLU 39 -8.251 -8.902 -7.437 277 HG2 GLU 39 1HG GLU 39 -5.886 -9.673 -7.388 278 HG3 GLU 39 2HG GLU 39 -5.910 -9.471 -5.637 279 H ASN 40 H ASN 40 -6.751 -5.284 -8.576 280 HA ASN 40 HA ASN 40 -9.643 -4.880 -8.885 281 HB2 ASN 40 1HB ASN 40 -8.374 -3.250 -7.246 282 HB3 ASN 40 2HB ASN 40 -7.853 -2.486 -8.745 283 HD21 ASN 40 1HD2 ASN 40 -9.311 -1.369 -9.975 284 HD22 ASN 40 2HD2 ASN 40 -10.912 -1.000 -9.440 285 H GLN 41 H GLN 41 -10.305 -4.343 -10.912 286 HA GLN 41 HA GLN 41 -8.244 -3.759 -12.922 287 HB2 GLN 41 1HB GLN 41 -8.994 -6.206 -12.884 288 HB3 GLN 41 2HB GLN 41 -10.545 -5.623 -13.474 289 HG2 GLN 41 1HG GLN 41 -9.445 -4.676 -15.437 290 HG3 GLN 41 2HG GLN 41 -7.890 -5.261 -14.846 291 HE21 GLN 41 1HE2 GLN 41 -11.142 -6.397 -15.669 292 HE22 GLN 41 2HE2 GLN 41 -10.635 -7.911 -16.329 293 H ASP 42 H ASP 42 -9.704 -1.775 -11.807 294 HA ASP 42 HA ASP 42 -11.317 -0.891 -14.068 295 HB2 ASP 42 1HB ASP 42 -12.850 -1.950 -12.349 296 HB3 ASP 42 2HB ASP 42 -12.386 -0.650 -11.255 297 H ASP 43 H ASP 43 -11.958 1.475 -13.750 298 HA ASP 43 HA ASP 43 -9.762 3.086 -13.611 299 HB2 ASP 43 1HB ASP 43 -12.182 3.640 -14.333 300 HB3 ASP 43 2HB ASP 43 -12.429 4.093 -12.649 301 H ASP 44 H ASP 44 -11.452 1.664 -10.983 302 HA ASP 44 HA ASP 44 -10.147 3.437 -9.046 303 HB2 ASP 44 1HB ASP 44 -12.476 1.554 -8.900 304 HB3 ASP 44 2HB ASP 44 -11.616 1.995 -7.428 305 H GLY 45 H GLY 45 -8.197 2.122 -10.084 306 HA2 GLY 45 1HA GLY 45 -7.781 -0.500 -8.974 307 HA3 GLY 45 2HA GLY 45 -6.603 0.459 -9.859 308 H PHE 46 H PHE 46 -8.382 0.904 -6.800 309 HA PHE 46 HA PHE 46 -5.924 1.849 -5.553 310 HB2 PHE 46 1HB PHE 46 -8.786 1.781 -4.583 311 HB3 PHE 46 2HB PHE 46 -7.438 2.390 -3.627 312 HD1 PHE 46 1HD PHE 46 -5.910 4.103 -5.122 313 HD2 PHE 46 2HD PHE 46 -10.086 3.396 -5.537 314 HE1 PHE 46 1HE PHE 46 -6.179 6.320 -6.154 315 HE2 PHE 46 2HE PHE 46 -10.362 5.612 -6.570 316 HZ PHE 46 HZ PHE 46 -8.407 7.076 -6.881 317 H TRP 47 H TRP 47 -4.835 0.809 -3.962 318 HA TRP 47 HA TRP 47 -5.640 -1.957 -3.428 319 HB2 TRP 47 1HB TRP 47 -2.996 -0.537 -3.049 320 HB3 TRP 47 2HB TRP 47 -3.294 -2.214 -2.598 321 HD1 TRP 47 HD TRP 47 -5.162 -1.955 -5.631 322 HE1 TRP 47 1HE TRP 47 -3.799 -2.679 -7.690 323 HE3 TRP 47 3HE TRP 47 -0.474 -1.803 -3.596 324 HZ2 TRP 47 2HZ TRP 47 -1.094 -3.127 -8.363 325 HZ3 TRP 47 3HZ TRP 47 1.447 -2.394 -5.015 326 HH2 TRP 47 HH TRP 47 1.141 -3.043 -7.349 327 H GLU 48 H GLU 48 -6.017 -2.731 -1.399 328 HA GLU 48 HA GLU 48 -6.271 -0.714 0.715 329 HB2 GLU 48 1HB GLU 48 -8.251 -2.129 0.010 330 HB3 GLU 48 2HB GLU 48 -7.413 -3.507 0.709 331 HG2 GLU 48 1HG GLU 48 -7.301 -2.015 2.836 332 HG3 GLU 48 2HG GLU 48 -8.624 -1.144 2.063 333 H GLY 49 H GLY 49 -4.936 -0.700 2.402 334 HA2 GLY 49 1HA GLY 49 -3.597 -3.187 3.194 335 HA3 GLY 49 2HA GLY 49 -2.598 -1.799 2.791 336 H GLU 50 H GLU 50 -2.683 -3.154 5.310 337 HA GLU 50 HA GLU 50 -3.977 -1.167 7.046 338 HB2 GLU 50 1HB GLU 50 -4.645 -3.411 7.575 339 HB3 GLU 50 2HB GLU 50 -2.975 -3.961 7.597 340 HG2 GLU 50 1HG GLU 50 -2.758 -2.157 9.498 341 HG3 GLU 50 2HG GLU 50 -4.496 -2.422 9.631 342 H PHE 51 H PHE 51 -2.788 0.283 8.093 343 HA PHE 51 HA PHE 51 0.005 -0.303 8.719 344 HB2 PHE 51 1HB PHE 51 0.171 0.837 6.595 345 HB3 PHE 51 2HB PHE 51 -0.914 2.109 7.146 346 HD1 PHE 51 2HD PHE 51 2.307 0.508 8.135 347 HD2 PHE 51 1HD PHE 51 0.020 4.085 7.836 348 HE1 PHE 51 2HE PHE 51 4.241 1.807 8.926 349 HE2 PHE 51 1HE PHE 51 1.950 5.390 8.626 350 HZ PHE 51 HZ PHE 51 4.064 4.251 9.174 351 H ASN 52 H ASN 52 0.709 0.602 10.595 352 HA ASN 52 HA ASN 52 0.454 1.399 12.724 353 HB2 ASN 52 1HB ASN 52 0.863 3.443 11.153 354 HB3 ASN 52 2HB ASN 52 -0.817 3.832 11.510 355 HD21 ASN 52 1HD2 ASN 52 1.433 5.409 12.184 356 HD22 ASN 52 2HD2 ASN 52 1.508 5.508 13.908 357 H GLY 53 H GLY 53 -1.628 -0.294 12.101 358 HA2 GLY 53 1HA GLY 53 -3.709 -0.910 12.848 359 HA3 GLY 53 2HA GLY 53 -3.543 0.371 14.040 360 H ARG 54 H ARG 54 -3.491 0.938 10.583 361 HA ARG 54 HA ARG 54 -6.212 2.036 10.726 362 HB2 ARG 54 1HB ARG 54 -3.800 3.430 9.550 363 HB3 ARG 54 2HB ARG 54 -5.460 3.989 9.394 364 HG2 ARG 54 1HG ARG 54 -5.605 4.266 11.811 365 HG3 ARG 54 2HG ARG 54 -3.946 3.687 11.979 366 HD2 ARG 54 1HD ARG 54 -3.090 5.575 10.799 367 HD3 ARG 54 2HD ARG 54 -4.711 6.089 10.333 368 HE ARG 54 HE ARG 54 -4.743 6.091 13.065 369 HH11 ARG 54 2HH1 ARG 54 -2.788 7.606 10.614 370 HH12 ARG 54 1HH1 ARG 54 -2.437 9.005 11.574 371 HH21 ARG 54 2HH2 ARG 54 -4.287 7.928 14.339 372 HH22 ARG 54 1HH2 ARG 54 -3.289 9.186 13.693 373 H ILE 55 H ILE 55 -7.447 1.726 8.938 374 HA ILE 55 HA ILE 55 -6.172 0.316 6.686 375 HB ILE 55 HB ILE 55 -9.017 0.088 7.676 376 HG12 ILE 55 1HG1 ILE 55 -6.861 -2.027 7.631 377 HG13 ILE 55 2HG1 ILE 55 -7.187 -1.021 9.039 378 HG21 ILE 55 1HG2 ILE 55 -7.625 -1.312 5.397 379 HG22 ILE 55 2HG2 ILE 55 -9.242 -1.684 5.991 380 HG23 ILE 55 3HG2 ILE 55 -8.912 -0.114 5.260 381 HD11 ILE 55 1HD1 ILE 55 -9.091 -2.119 9.547 382 HD12 ILE 55 2HD1 ILE 55 -9.491 -2.439 7.859 383 HD13 ILE 55 3HD1 ILE 55 -8.277 -3.421 8.680 384 H GLY 56 H GLY 56 -6.218 1.281 4.764 385 HA2 GLY 56 1HA GLY 56 -8.436 3.014 4.033 386 HA3 GLY 56 2HA GLY 56 -6.869 3.800 4.157 387 H VAL 57 H VAL 57 -7.523 4.225 1.829 388 HA VAL 57 HA VAL 57 -6.528 2.022 0.139 389 HB VAL 57 HB VAL 57 -7.919 2.884 -1.694 390 HG11 VAL 57 1HG1 VAL 57 -9.971 2.556 0.374 391 HG12 VAL 57 2HG1 VAL 57 -9.655 1.601 -1.075 392 HG13 VAL 57 3HG1 VAL 57 -8.711 1.323 0.389 393 HG21 VAL 57 1HG2 VAL 57 -8.926 4.867 -1.632 394 HG22 VAL 57 2HG2 VAL 57 -9.731 4.477 -0.113 395 HG23 VAL 57 3HG2 VAL 57 -8.107 5.164 -0.099 396 H PHE 58 H PHE 58 -5.040 2.507 -1.428 397 HA PHE 58 HA PHE 58 -4.173 5.309 -1.642 398 HB2 PHE 58 1HB PHE 58 -1.799 4.232 -1.882 399 HB3 PHE 58 2HB PHE 58 -2.476 4.507 -0.280 400 HD1 PHE 58 2HD PHE 58 -4.011 2.435 0.531 401 HD2 PHE 58 1HD PHE 58 -0.760 2.225 -2.208 402 HE1 PHE 58 2HE PHE 58 -3.723 0.051 1.062 403 HE2 PHE 58 1HE PHE 58 -0.467 -0.161 -1.682 404 HZ PHE 58 HZ PHE 58 -1.948 -1.251 -0.044 405 HA PRO 59 HA PRO 59 -4.120 4.748 -5.992 406 HB2 PRO 59 1HB PRO 59 -1.982 6.247 -6.734 407 HB3 PRO 59 2HB PRO 59 -3.500 6.953 -6.167 408 HG2 PRO 59 1HG PRO 59 -0.949 6.491 -4.670 409 HG3 PRO 59 2HG PRO 59 -2.018 7.906 -4.650 410 HD2 PRO 59 1HD PRO 59 -2.048 6.031 -2.697 411 HD3 PRO 59 2HD PRO 59 -3.503 6.922 -3.188 412 H SER 60 H SER 60 -1.819 3.368 -4.049 413 HA SER 60 HA SER 60 -0.099 1.890 -4.346 414 HB2 SER 60 1HB SER 60 -0.619 0.043 -5.780 415 HB3 SER 60 2HB SER 60 -2.149 0.635 -5.132 416 HG SER 60 HG SER 60 -2.511 0.435 -7.270 417 H VAL 61 H VAL 61 0.460 4.413 -5.442 418 HA VAL 61 HA VAL 61 2.237 3.638 -7.655 419 HB VAL 61 HB VAL 61 1.913 5.922 -8.624 420 HG11 VAL 61 1HG1 VAL 61 -0.530 5.363 -9.399 421 HG12 VAL 61 2HG1 VAL 61 0.821 4.327 -9.865 422 HG13 VAL 61 3HG1 VAL 61 -0.234 3.856 -8.532 423 HG21 VAL 61 1HG2 VAL 61 1.006 7.320 -7.068 424 HG22 VAL 61 2HG2 VAL 61 -0.470 6.835 -7.902 425 HG23 VAL 61 3HG2 VAL 61 -0.025 6.067 -6.378 426 H LEU 62 H LEU 62 1.627 5.636 -4.855 427 HA LEU 62 HA LEU 62 4.218 6.924 -4.992 428 HB2 LEU 62 1HB LEU 62 2.106 6.977 -2.841 429 HB3 LEU 62 2HB LEU 62 3.551 7.986 -2.884 430 HG LEU 62 HG LEU 62 1.332 8.076 -4.928 431 HD11 LEU 62 1HD1 LEU 62 0.182 9.303 -3.487 432 HD12 LEU 62 2HD1 LEU 62 1.503 10.471 -3.461 433 HD13 LEU 62 3HD1 LEU 62 1.465 9.157 -2.285 434 HD21 LEU 62 1HD2 LEU 62 3.931 8.894 -5.184 435 HD22 LEU 62 2HD2 LEU 62 3.129 10.359 -4.619 436 HD23 LEU 62 3HD2 LEU 62 2.560 9.550 -6.079 437 H VAL 63 H VAL 63 3.563 3.902 -4.438 438 HA VAL 63 HA VAL 63 5.407 3.653 -2.150 439 HB VAL 63 HB VAL 63 4.361 1.578 -1.535 440 HG11 VAL 63 1HG1 VAL 63 1.864 3.041 -1.893 441 HG12 VAL 63 2HG1 VAL 63 2.708 2.583 -0.412 442 HG13 VAL 63 3HG1 VAL 63 3.180 4.044 -1.282 443 HG21 VAL 63 1HG2 VAL 63 3.286 1.731 -4.220 444 HG22 VAL 63 2HG2 VAL 63 3.460 0.337 -3.154 445 HG23 VAL 63 3HG2 VAL 63 2.035 1.368 -3.031 446 H GLU 64 H GLU 64 6.778 1.727 -2.171 447 HA GLU 64 HA GLU 64 7.398 0.836 -4.911 448 HB2 GLU 64 1HB GLU 64 9.143 2.325 -4.196 449 HB3 GLU 64 2HB GLU 64 9.283 1.501 -2.649 450 HG2 GLU 64 1HG GLU 64 11.110 0.961 -4.205 451 HG3 GLU 64 2HG GLU 64 10.184 -0.455 -3.707 452 H GLU 65 H GLU 65 7.759 -1.307 -5.243 453 HA GLU 65 HA GLU 65 6.830 -3.129 -3.247 454 HB2 GLU 65 1HB GLU 65 6.687 -3.261 -5.862 455 HB3 GLU 65 2HB GLU 65 8.266 -4.022 -5.719 456 HG2 GLU 65 1HG GLU 65 7.095 -5.559 -3.997 457 HG3 GLU 65 2HG GLU 65 5.610 -4.987 -4.756 458 H LEU 66 H LEU 66 7.949 -4.499 -1.956 459 HA LEU 66 HA LEU 66 10.834 -4.064 -1.778 460 HB2 LEU 66 1HB LEU 66 8.814 -5.264 0.096 461 HB3 LEU 66 2HB LEU 66 10.550 -5.366 0.384 462 HG LEU 66 HG LEU 66 9.227 -2.705 0.003 463 HD11 LEU 66 1HD1 LEU 66 7.884 -3.405 1.730 464 HD12 LEU 66 2HD1 LEU 66 9.258 -2.744 2.615 465 HD13 LEU 66 3HD1 LEU 66 9.109 -4.487 2.391 466 HD21 LEU 66 1HD2 LEU 66 11.263 -2.756 1.968 467 HD22 LEU 66 2HD2 LEU 66 11.292 -1.991 0.380 468 HD23 LEU 66 3HD2 LEU 66 11.849 -3.654 0.568 469 H SER 67 H SER 67 12.318 -5.600 -2.188 470 HA SER 67 HA SER 67 11.318 -8.237 -3.038 471 HB2 SER 67 1HB SER 67 12.592 -6.607 -4.656 472 HB3 SER 67 2HB SER 67 14.023 -7.204 -3.816 473 HG SER 67 HG SER 67 13.795 -8.649 -5.393 474 H SER 68 H SER 68 11.427 -9.366 -1.139 475 HA SER 68 HA SER 68 13.551 -9.212 0.714 476 HB2 SER 68 1HB SER 68 11.249 -10.104 1.194 477 HB3 SER 68 2HB SER 68 11.685 -11.557 0.295 478 HG SER 68 HG SER 68 12.104 -11.133 2.815 479 H GLY 69 H GLY 69 15.544 -9.472 -0.225 480 HA2 GLY 69 1HA GLY 69 17.010 -11.606 -0.273 481 HA3 GLY 69 2HA GLY 69 16.043 -11.971 -1.695 482 HA PRO 70 HA PRO 70 19.846 -9.288 -2.674 483 HB2 PRO 70 1HB PRO 70 21.368 -11.198 -3.860 484 HB3 PRO 70 2HB PRO 70 21.455 -10.836 -2.132 485 HG2 PRO 70 1HG PRO 70 19.993 -13.040 -3.534 486 HG3 PRO 70 2HG PRO 70 20.956 -13.105 -2.046 487 HD2 PRO 70 1HD PRO 70 18.250 -13.007 -2.027 488 HD3 PRO 70 2HD PRO 70 19.241 -12.273 -0.751 489 H SER 71 H SER 71 20.727 -8.923 -4.891 490 HA SER 71 HA SER 71 18.802 -9.774 -6.955 491 HB2 SER 71 1HB SER 71 18.849 -7.274 -6.091 492 HB3 SER 71 2HB SER 71 20.224 -7.154 -7.189 493 HG SER 71 HG SER 71 18.518 -8.332 -8.639 494 H SER 72 H SER 72 19.594 -10.319 -8.954 495 HA SER 72 HA SER 72 22.471 -10.079 -9.430 496 HB2 SER 72 1HB SER 72 21.687 -12.377 -8.382 497 HB3 SER 72 2HB SER 72 21.193 -12.713 -10.042 498 HG SER 72 HG SER 72 23.231 -12.779 -10.653 499 H GLY 73 H GLY 73 22.655 -9.085 -11.321 500 HA2 GLY 73 1HA GLY 73 21.448 -10.139 -13.689 501 HA3 GLY 73 2HA GLY 73 20.684 -8.638 -13.188 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -3.850 -21.404 14.583 2 HA2 GLY 1 1HA GLY 1 -3.901 -22.996 12.815 3 HA3 GLY 1 2HA GLY 1 -5.465 -23.547 13.395 4 H SER 2 H SER 2 -4.338 -22.447 10.752 5 HA SER 2 HA SER 2 -6.702 -20.873 10.127 6 HB2 SER 2 1HB SER 2 -5.427 -19.074 9.058 7 HB3 SER 2 2HB SER 2 -5.019 -19.186 10.769 8 HG SER 2 HG SER 2 -3.494 -20.552 8.835 9 H SER 3 H SER 3 -7.063 -20.649 7.821 10 HA SER 3 HA SER 3 -5.470 -22.416 6.117 11 HB2 SER 3 1HB SER 3 -8.462 -22.647 6.507 12 HB3 SER 3 2HB SER 3 -7.570 -23.437 5.207 13 HG SER 3 HG SER 3 -6.632 -23.824 7.796 14 H GLY 4 H GLY 4 -6.500 -22.302 3.776 15 HA2 GLY 4 1HA GLY 4 -7.545 -20.922 2.128 16 HA3 GLY 4 2HA GLY 4 -7.405 -19.559 3.228 17 H SER 5 H SER 5 -6.265 -18.132 2.037 18 HA SER 5 HA SER 5 -3.874 -19.021 0.623 19 HB2 SER 5 1HB SER 5 -3.882 -16.869 -0.445 20 HB3 SER 5 2HB SER 5 -5.543 -17.462 -0.444 21 HG SER 5 HG SER 5 -4.589 -15.203 0.598 22 H SER 6 H SER 6 -1.812 -18.367 1.101 23 HA SER 6 HA SER 6 -1.470 -16.901 3.636 24 HB2 SER 6 1HB SER 6 0.258 -19.123 2.519 25 HB3 SER 6 2HB SER 6 0.576 -18.232 4.008 26 HG SER 6 HG SER 6 -1.613 -19.944 3.448 27 H GLY 7 H GLY 7 0.890 -16.043 3.799 28 HA2 GLY 7 1HA GLY 7 2.544 -14.665 2.987 29 HA3 GLY 7 2HA GLY 7 2.242 -15.345 1.395 30 H VAL 8 H VAL 8 2.742 -12.552 2.309 31 HA VAL 8 HA VAL 8 0.555 -11.338 0.813 32 HB VAL 8 HB VAL 8 1.343 -10.384 3.569 33 HG11 VAL 8 1HG1 VAL 8 -0.040 -9.078 1.320 34 HG12 VAL 8 2HG1 VAL 8 -0.808 -8.902 2.899 35 HG13 VAL 8 3HG1 VAL 8 0.859 -8.375 2.664 36 HG21 VAL 8 1HG2 VAL 8 -0.964 -10.875 4.174 37 HG22 VAL 8 2HG2 VAL 8 -1.285 -11.455 2.540 38 HG23 VAL 8 3HG2 VAL 8 -0.157 -12.326 3.579 39 H CYS 9 H CYS 9 1.094 -9.387 -0.183 40 HA CYS 9 HA CYS 9 3.953 -8.956 -0.480 41 HB2 CYS 9 1HB CYS 9 1.527 -7.981 -1.973 42 HB3 CYS 9 2HB CYS 9 3.120 -7.291 -2.260 43 HG CYS 9 HG CYS 9 1.887 -10.286 -3.171 44 H PHE 10 H PHE 10 4.804 -6.722 -0.548 45 HA PHE 10 HA PHE 10 3.364 -4.811 1.127 46 HB2 PHE 10 1HB PHE 10 6.167 -5.776 1.732 47 HB3 PHE 10 2HB PHE 10 5.356 -4.440 2.544 48 HD1 PHE 10 2HD PHE 10 5.053 -8.080 1.866 49 HD2 PHE 10 1HD PHE 10 4.062 -4.829 4.428 50 HE1 PHE 10 2HE PHE 10 4.091 -9.658 3.490 51 HE2 PHE 10 1HE PHE 10 3.098 -6.402 6.057 52 HZ PHE 10 HZ PHE 10 3.111 -8.820 5.588 53 H VAL 11 H VAL 11 4.431 -2.661 1.147 54 HA VAL 11 HA VAL 11 6.320 -2.147 -0.999 55 HB VAL 11 HB VAL 11 4.933 -0.476 -2.104 56 HG11 VAL 11 1HG1 VAL 11 3.610 -3.179 -1.909 57 HG12 VAL 11 2HG1 VAL 11 3.312 -1.991 -3.180 58 HG13 VAL 11 3HG1 VAL 11 4.909 -2.721 -3.009 59 HG21 VAL 11 1HG2 VAL 11 3.424 -0.547 0.214 60 HG22 VAL 11 2HG2 VAL 11 3.029 0.329 -1.264 61 HG23 VAL 11 3HG2 VAL 11 2.377 -1.288 -0.996 62 H LYS 12 H LYS 12 7.412 -0.200 -0.790 63 HA LYS 12 HA LYS 12 7.042 1.134 1.797 64 HB2 LYS 12 1HB LYS 12 9.278 0.095 1.056 65 HB3 LYS 12 2HB LYS 12 9.411 1.472 -0.030 66 HG2 LYS 12 1HG LYS 12 9.042 2.904 2.070 67 HG3 LYS 12 2HG LYS 12 9.424 1.430 2.963 68 HD2 LYS 12 1HD LYS 12 11.520 2.323 2.794 69 HD3 LYS 12 2HD LYS 12 11.482 1.388 1.297 70 HE2 LYS 12 1HE LYS 12 10.573 4.243 1.353 71 HE3 LYS 12 2HE LYS 12 12.285 3.844 1.223 72 HZ1 LYS 12 1HZ LYS 12 11.604 4.021 -0.965 73 HZ2 LYS 12 2HZ LYS 12 10.109 3.281 -0.685 74 HZ3 LYS 12 3HZ LYS 12 11.523 2.352 -0.701 75 H ALA 13 H ALA 13 6.248 3.128 1.901 76 HA ALA 13 HA ALA 13 5.394 4.518 -0.419 77 HB1 ALA 13 1HB ALA 13 4.283 4.630 1.808 78 HB2 ALA 13 2HB ALA 13 5.629 5.620 2.376 79 HB3 ALA 13 3HB ALA 13 4.590 6.205 1.076 80 H LEU 14 H LEU 14 6.938 5.233 -1.785 81 HA LEU 14 HA LEU 14 9.485 6.133 -1.138 82 HB2 LEU 14 1HB LEU 14 7.735 6.935 -3.458 83 HB3 LEU 14 2HB LEU 14 9.469 7.232 -3.349 84 HG LEU 14 HG LEU 14 8.393 4.440 -3.208 85 HD11 LEU 14 1HD1 LEU 14 9.136 5.821 -5.774 86 HD12 LEU 14 2HD1 LEU 14 7.470 5.631 -5.228 87 HD13 LEU 14 3HD1 LEU 14 8.456 4.207 -5.560 88 HD21 LEU 14 1HD2 LEU 14 10.606 4.254 -2.789 89 HD22 LEU 14 2HD2 LEU 14 10.999 5.777 -3.587 90 HD23 LEU 14 3HD2 LEU 14 10.712 4.325 -4.548 91 H TYR 15 H TYR 15 6.476 7.966 -1.503 92 HA TYR 15 HA TYR 15 7.811 10.246 -0.198 93 HB2 TYR 15 1HB TYR 15 5.504 10.562 -2.106 94 HB3 TYR 15 2HB TYR 15 6.644 11.783 -1.550 95 HD1 TYR 15 1HD TYR 15 6.177 8.917 -3.811 96 HD2 TYR 15 2HD TYR 15 8.779 12.062 -2.612 97 HE1 TYR 15 1HE TYR 15 7.551 8.536 -5.815 98 HE2 TYR 15 2HE TYR 15 10.160 11.691 -4.613 99 HH TYR 15 HH TYR 15 10.214 9.070 -6.348 100 H ASP 16 H ASP 16 6.291 11.700 0.959 101 HA ASP 16 HA ASP 16 4.592 10.154 2.675 102 HB2 ASP 16 1HB ASP 16 4.088 12.567 3.576 103 HB3 ASP 16 2HB ASP 16 5.661 11.828 3.860 104 H TYR 17 H TYR 17 2.491 9.781 2.450 105 HA TYR 17 HA TYR 17 0.982 11.426 0.529 106 HB2 TYR 17 1HB TYR 17 1.213 9.046 -0.096 107 HB3 TYR 17 2HB TYR 17 0.437 8.584 1.415 108 HD1 TYR 17 2HD TYR 17 -0.247 10.899 -1.448 109 HD2 TYR 17 1HD TYR 17 -1.781 7.998 1.261 110 HE1 TYR 17 2HE TYR 17 -2.446 11.053 -2.537 111 HE2 TYR 17 1HE TYR 17 -3.984 8.144 0.178 112 HH TYR 17 HH TYR 17 -4.974 8.817 -1.900 113 H GLU 18 H GLU 18 -0.983 12.278 1.095 114 HA GLU 18 HA GLU 18 -1.727 12.020 3.934 115 HB2 GLU 18 1HB GLU 18 -2.616 14.285 3.811 116 HB3 GLU 18 2HB GLU 18 -0.924 14.265 3.334 117 HG2 GLU 18 1HG GLU 18 -1.692 14.221 0.951 118 HG3 GLU 18 2HG GLU 18 -3.329 14.494 1.547 119 H GLY 19 H GLY 19 -3.514 10.873 4.228 120 HA2 GLY 19 1HA GLY 19 -5.330 10.281 2.104 121 HA3 GLY 19 2HA GLY 19 -5.522 9.830 3.792 122 H GLN 20 H GLN 20 -6.594 11.846 1.302 123 HA GLN 20 HA GLN 20 -7.462 14.158 2.442 124 HB2 GLN 20 1HB GLN 20 -8.612 12.376 0.347 125 HB3 GLN 20 2HB GLN 20 -9.606 13.698 0.945 126 HG2 GLN 20 1HG GLN 20 -7.389 15.073 0.479 127 HG3 GLN 20 2HG GLN 20 -7.128 13.764 -0.673 128 HE21 GLN 20 1HE2 GLN 20 -9.698 15.966 0.392 129 HE22 GLN 20 2HE2 GLN 20 -10.319 16.281 -1.189 130 H THR 21 H THR 21 -9.137 11.027 2.579 131 HA THR 21 HA THR 21 -10.660 12.051 4.886 132 HB THR 21 HB THR 21 -12.235 11.829 3.100 133 HG1 THR 21 1HG THR 21 -13.353 9.767 3.963 134 HG21 THR 21 1HG2 THR 21 -11.083 10.455 1.535 135 HG22 THR 21 2HG2 THR 21 -12.552 9.586 1.982 136 HG23 THR 21 3HG2 THR 21 -11.002 9.113 2.675 137 H ASP 22 H ASP 22 -11.548 10.219 6.256 138 HA ASP 22 HA ASP 22 -9.436 8.682 7.260 139 HB2 ASP 22 1HB ASP 22 -11.256 7.460 8.523 140 HB3 ASP 22 2HB ASP 22 -11.246 9.211 8.718 141 H ASP 23 H ASP 23 -11.416 8.161 4.558 142 HA ASP 23 HA ASP 23 -11.409 5.308 4.547 143 HB2 ASP 23 1HB ASP 23 -12.135 7.458 2.620 144 HB3 ASP 23 2HB ASP 23 -11.803 5.857 1.964 145 H GLU 24 H GLU 24 -9.249 7.792 3.363 146 HA GLU 24 HA GLU 24 -7.645 5.940 1.833 147 HB2 GLU 24 1HB GLU 24 -7.486 8.867 2.461 148 HB3 GLU 24 2HB GLU 24 -6.083 8.036 1.804 149 HG2 GLU 24 1HG GLU 24 -7.445 7.317 -0.119 150 HG3 GLU 24 2HG GLU 24 -8.800 8.240 0.528 151 H LEU 25 H LEU 25 -5.103 6.392 2.298 152 HA LEU 25 HA LEU 25 -4.691 5.788 5.153 153 HB2 LEU 25 1HB LEU 25 -4.405 3.951 3.276 154 HB3 LEU 25 2HB LEU 25 -2.835 4.728 3.081 155 HG LEU 25 HG LEU 25 -2.462 4.310 5.547 156 HD11 LEU 25 1HD1 LEU 25 -5.000 3.869 5.848 157 HD12 LEU 25 2HD1 LEU 25 -3.838 2.910 6.763 158 HD13 LEU 25 3HD1 LEU 25 -4.600 2.234 5.323 159 HD21 LEU 25 1HD2 LEU 25 -1.221 2.920 4.197 160 HD22 LEU 25 2HD2 LEU 25 -2.644 2.194 3.450 161 HD23 LEU 25 3HD2 LEU 25 -2.189 1.751 5.096 162 H SER 26 H SER 26 -3.127 6.883 6.197 163 HA SER 26 HA SER 26 -1.490 8.739 4.598 164 HB2 SER 26 1HB SER 26 -2.382 9.069 7.472 165 HB3 SER 26 2HB SER 26 -1.491 10.248 6.509 166 HG SER 26 HG SER 26 -3.461 10.935 6.129 167 H PHE 27 H PHE 27 0.568 8.166 4.490 168 HA PHE 27 HA PHE 27 1.859 7.070 6.890 169 HB2 PHE 27 1HB PHE 27 3.247 5.742 5.033 170 HB3 PHE 27 2HB PHE 27 1.786 5.083 5.761 171 HD1 PHE 27 2HD PHE 27 3.035 6.961 2.819 172 HD2 PHE 27 1HD PHE 27 -0.055 4.527 4.444 173 HE1 PHE 27 2HE PHE 27 2.017 6.769 0.587 174 HE2 PHE 27 1HE PHE 27 -1.077 4.330 2.215 175 HZ PHE 27 HZ PHE 27 -0.042 5.453 0.283 176 HA PRO 28 HA PRO 28 4.895 10.159 6.114 177 HB2 PRO 28 1HB PRO 28 6.967 9.084 7.500 178 HB3 PRO 28 2HB PRO 28 5.569 9.828 8.285 179 HG2 PRO 28 1HG PRO 28 6.151 6.932 7.800 180 HG3 PRO 28 2HG PRO 28 5.501 7.714 9.252 181 HD2 PRO 28 1HD PRO 28 3.930 6.414 7.471 182 HD3 PRO 28 2HD PRO 28 3.367 7.825 8.390 183 H GLU 29 H GLU 29 6.939 10.512 5.066 184 HA GLU 29 HA GLU 29 7.330 9.008 2.749 185 HB2 GLU 29 1HB GLU 29 8.055 11.332 2.948 186 HB3 GLU 29 2HB GLU 29 9.253 10.873 4.149 187 HG2 GLU 29 1HG GLU 29 10.270 9.391 2.368 188 HG3 GLU 29 2HG GLU 29 9.218 10.220 1.221 189 H GLY 30 H GLY 30 7.735 6.865 2.946 190 HA2 GLY 30 1HA GLY 30 9.534 5.259 2.928 191 HA3 GLY 30 2HA GLY 30 10.271 6.138 4.259 192 H ALA 31 H ALA 31 6.938 4.990 3.821 193 HA ALA 31 HA ALA 31 7.215 3.534 6.365 194 HB1 ALA 31 1HB ALA 31 4.498 3.711 5.724 195 HB2 ALA 31 2HB ALA 31 5.372 4.621 6.957 196 HB3 ALA 31 3HB ALA 31 5.184 5.289 5.336 197 H ILE 32 H ILE 32 5.955 1.526 6.569 198 HA ILE 32 HA ILE 32 6.053 0.002 4.059 199 HB ILE 32 HB ILE 32 6.027 -1.039 6.894 200 HG12 ILE 32 1HG1 ILE 32 8.104 0.140 6.440 201 HG13 ILE 32 2HG1 ILE 32 8.405 -1.594 6.463 202 HG21 ILE 32 1HG2 ILE 32 6.647 -2.521 4.348 203 HG22 ILE 32 2HG2 ILE 32 6.465 -3.190 5.968 204 HG23 ILE 32 3HG2 ILE 32 5.064 -2.528 5.125 205 HD11 ILE 32 1HD1 ILE 32 8.069 0.083 3.987 206 HD12 ILE 32 2HD1 ILE 32 9.604 -0.468 4.659 207 HD13 ILE 32 3HD1 ILE 32 8.441 -1.640 4.042 208 H ILE 33 H ILE 33 4.296 -1.024 3.263 209 HA ILE 33 HA ILE 33 1.805 -0.856 4.831 210 HB ILE 33 HB ILE 33 2.085 -0.559 1.838 211 HG12 ILE 33 1HG1 ILE 33 1.052 1.520 3.750 212 HG13 ILE 33 2HG1 ILE 33 2.774 1.376 3.415 213 HG21 ILE 33 1HG2 ILE 33 -0.116 -1.384 3.427 214 HG22 ILE 33 2HG2 ILE 33 -0.463 0.229 2.807 215 HG23 ILE 33 3HG2 ILE 33 -0.067 -1.077 1.691 216 HD11 ILE 33 1HD1 ILE 33 2.577 2.240 1.344 217 HD12 ILE 33 2HD1 ILE 33 0.991 1.519 1.072 218 HD13 ILE 33 3HD1 ILE 33 1.140 2.980 2.049 219 H ARG 34 H ARG 34 0.518 -2.635 4.897 220 HA ARG 34 HA ARG 34 1.618 -5.075 3.702 221 HB2 ARG 34 1HB ARG 34 1.297 -5.154 6.108 222 HB3 ARG 34 2HB ARG 34 -0.387 -4.680 5.929 223 HG2 ARG 34 1HG ARG 34 -0.914 -6.762 4.850 224 HG3 ARG 34 2HG ARG 34 0.789 -7.227 4.838 225 HD2 ARG 34 1HD ARG 34 -0.088 -8.385 6.660 226 HD3 ARG 34 2HD ARG 34 0.668 -6.969 7.389 227 HE ARG 34 HE ARG 34 -2.121 -6.617 6.788 228 HH11 ARG 34 2HH1 ARG 34 0.185 -7.759 9.132 229 HH12 ARG 34 1HH1 ARG 34 -0.892 -7.570 10.476 230 HH21 ARG 34 2HH2 ARG 34 -3.548 -6.363 8.549 231 HH22 ARG 34 1HH2 ARG 34 -3.015 -6.777 10.143 232 H ILE 35 H ILE 35 0.810 -5.391 1.717 233 HA ILE 35 HA ILE 35 -1.623 -4.486 0.724 234 HB ILE 35 HB ILE 35 -0.071 -6.927 -0.146 235 HG12 ILE 35 1HG1 ILE 35 1.256 -4.863 -0.211 236 HG13 ILE 35 2HG1 ILE 35 0.896 -5.431 -1.838 237 HG21 ILE 35 1HG2 ILE 35 -2.553 -5.724 -1.094 238 HG22 ILE 35 2HG2 ILE 35 -1.339 -5.920 -2.358 239 HG23 ILE 35 3HG2 ILE 35 -1.868 -7.316 -1.418 240 HD11 ILE 35 1HD1 ILE 35 0.635 -3.071 -1.803 241 HD12 ILE 35 2HD1 ILE 35 -0.975 -3.784 -1.907 242 HD13 ILE 35 3HD1 ILE 35 -0.390 -3.146 -0.371 243 H LEU 36 H LEU 36 -3.515 -4.899 1.691 244 HA LEU 36 HA LEU 36 -4.075 -7.458 2.903 245 HB2 LEU 36 1HB LEU 36 -5.841 -5.052 2.477 246 HB3 LEU 36 2HB LEU 36 -6.255 -6.465 3.446 247 HG LEU 36 HG LEU 36 -3.871 -4.756 4.092 248 HD11 LEU 36 1HD1 LEU 36 -6.068 -3.450 3.957 249 HD12 LEU 36 2HD1 LEU 36 -5.144 -3.353 5.456 250 HD13 LEU 36 3HD1 LEU 36 -6.564 -4.395 5.361 251 HD21 LEU 36 1HD2 LEU 36 -4.991 -5.745 6.400 252 HD22 LEU 36 2HD2 LEU 36 -3.606 -6.428 5.548 253 HD23 LEU 36 3HD2 LEU 36 -5.225 -7.060 5.249 254 H ASN 37 H ASN 37 -5.528 -5.552 0.261 255 HA ASN 37 HA ASN 37 -6.160 -8.042 -1.127 256 HB2 ASN 37 1HB ASN 37 -8.265 -7.839 -0.226 257 HB3 ASN 37 2HB ASN 37 -8.149 -6.088 -0.074 258 HD21 ASN 37 1HD2 ASN 37 -8.823 -4.801 -1.722 259 HD22 ASN 37 2HD2 ASN 37 -9.612 -5.397 -3.139 260 H LYS 38 H LYS 38 -6.084 -7.889 -3.323 261 HA LYS 38 HA LYS 38 -5.559 -5.216 -4.448 262 HB2 LYS 38 1HB LYS 38 -4.204 -7.847 -4.959 263 HB3 LYS 38 2HB LYS 38 -4.193 -6.584 -6.183 264 HG2 LYS 38 1HG LYS 38 -3.143 -5.055 -4.570 265 HG3 LYS 38 2HG LYS 38 -3.109 -6.361 -3.382 266 HD2 LYS 38 1HD LYS 38 -0.947 -6.181 -4.448 267 HD3 LYS 38 2HD LYS 38 -1.721 -7.690 -4.938 268 HE2 LYS 38 1HE LYS 38 -2.079 -5.254 -6.621 269 HE3 LYS 38 2HE LYS 38 -0.556 -6.139 -6.705 270 HZ1 LYS 38 1HZ LYS 38 -1.503 -7.776 -7.857 271 HZ2 LYS 38 2HZ LYS 38 -2.798 -6.719 -8.115 272 HZ3 LYS 38 3HZ LYS 38 -2.862 -7.842 -6.852 273 H GLU 39 H GLU 39 -8.133 -6.272 -4.302 274 HA GLU 39 HA GLU 39 -8.753 -7.430 -6.893 275 HB2 GLU 39 1HB GLU 39 -10.247 -6.935 -4.367 276 HB3 GLU 39 2HB GLU 39 -11.174 -7.014 -5.858 277 HG2 GLU 39 1HG GLU 39 -10.026 -9.226 -6.294 278 HG3 GLU 39 2HG GLU 39 -9.458 -9.145 -4.627 279 H ASN 40 H ASN 40 -7.935 -5.543 -8.071 280 HA ASN 40 HA ASN 40 -9.946 -3.391 -8.187 281 HB2 ASN 40 1HB ASN 40 -7.694 -2.680 -7.315 282 HB3 ASN 40 2HB ASN 40 -7.019 -3.104 -8.885 283 HD21 ASN 40 1HD2 ASN 40 -9.416 -1.063 -7.302 284 HD22 ASN 40 2HD2 ASN 40 -9.360 0.213 -8.465 285 H GLN 41 H GLN 41 -11.110 -3.526 -9.979 286 HA GLN 41 HA GLN 41 -10.183 -5.008 -12.268 287 HB2 GLN 41 1HB GLN 41 -12.729 -3.561 -11.592 288 HB3 GLN 41 2HB GLN 41 -12.433 -4.160 -13.219 289 HG2 GLN 41 1HG GLN 41 -12.243 -6.418 -12.400 290 HG3 GLN 41 2HG GLN 41 -12.398 -5.859 -10.736 291 HE21 GLN 41 1HE2 GLN 41 -14.014 -7.264 -13.197 292 HE22 GLN 41 2HE2 GLN 41 -15.634 -6.836 -12.778 293 H ASP 42 H ASP 42 -8.485 -2.883 -11.818 294 HA ASP 42 HA ASP 42 -7.576 -0.992 -12.733 295 HB2 ASP 42 1HB ASP 42 -7.371 -2.817 -14.513 296 HB3 ASP 42 2HB ASP 42 -8.721 -2.027 -15.323 297 H ASP 43 H ASP 43 -10.102 -0.486 -11.653 298 HA ASP 43 HA ASP 43 -11.294 1.385 -13.588 299 HB2 ASP 43 1HB ASP 43 -12.723 -0.457 -12.525 300 HB3 ASP 43 2HB ASP 43 -12.585 0.459 -11.026 301 H ASP 44 H ASP 44 -9.583 1.128 -10.626 302 HA ASP 44 HA ASP 44 -9.759 4.042 -10.293 303 HB2 ASP 44 1HB ASP 44 -9.922 1.987 -8.079 304 HB3 ASP 44 2HB ASP 44 -9.729 3.719 -7.822 305 H GLY 45 H GLY 45 -7.997 1.078 -9.435 306 HA2 GLY 45 1HA GLY 45 -5.694 0.730 -9.663 307 HA3 GLY 45 2HA GLY 45 -5.486 2.451 -9.956 308 H PHE 46 H PHE 46 -7.267 1.187 -7.221 309 HA PHE 46 HA PHE 46 -5.087 2.098 -5.459 310 HB2 PHE 46 1HB PHE 46 -8.077 2.305 -5.061 311 HB3 PHE 46 2HB PHE 46 -6.893 2.643 -3.803 312 HD1 PHE 46 2HD PHE 46 -7.314 3.562 -7.399 313 HD2 PHE 46 1HD PHE 46 -6.581 4.872 -3.416 314 HE1 PHE 46 2HE PHE 46 -7.134 5.882 -8.199 315 HE2 PHE 46 1HE PHE 46 -6.400 7.194 -4.210 316 HZ PHE 46 HZ PHE 46 -6.675 7.701 -6.604 317 H TRP 47 H TRP 47 -4.641 0.897 -3.615 318 HA TRP 47 HA TRP 47 -5.896 -1.769 -3.529 319 HB2 TRP 47 1HB TRP 47 -3.043 -0.959 -2.950 320 HB3 TRP 47 2HB TRP 47 -3.704 -2.543 -2.555 321 HD1 TRP 47 HD TRP 47 -5.420 -2.586 -5.432 322 HE1 TRP 47 1HE TRP 47 -4.098 -3.262 -7.534 323 HE3 TRP 47 3HE TRP 47 -0.681 -1.700 -3.731 324 HZ2 TRP 47 2HZ TRP 47 -1.403 -3.403 -8.362 325 HZ3 TRP 47 3HZ TRP 47 1.214 -2.132 -5.241 326 HH2 TRP 47 HH TRP 47 0.858 -2.966 -7.507 327 H GLU 48 H GLU 48 -6.021 -2.788 -1.426 328 HA GLU 48 HA GLU 48 -6.464 -0.806 0.690 329 HB2 GLU 48 1HB GLU 48 -8.322 -2.362 -0.052 330 HB3 GLU 48 2HB GLU 48 -7.393 -3.676 0.656 331 HG2 GLU 48 1HG GLU 48 -7.733 -2.938 2.812 332 HG3 GLU 48 2HG GLU 48 -8.063 -1.282 2.304 333 H GLY 49 H GLY 49 -4.998 -0.621 2.242 334 HA2 GLY 49 1HA GLY 49 -3.552 -3.033 3.113 335 HA3 GLY 49 2HA GLY 49 -2.650 -1.583 2.699 336 H GLU 50 H GLU 50 -2.431 -2.749 5.195 337 HA GLU 50 HA GLU 50 -3.937 -0.905 6.929 338 HB2 GLU 50 1HB GLU 50 -4.176 -3.439 7.239 339 HB3 GLU 50 2HB GLU 50 -2.530 -3.401 7.855 340 HG2 GLU 50 1HG GLU 50 -3.217 -1.845 9.606 341 HG3 GLU 50 2HG GLU 50 -4.868 -1.882 8.990 342 H PHE 51 H PHE 51 -2.868 0.465 8.260 343 HA PHE 51 HA PHE 51 -0.126 0.159 8.967 344 HB2 PHE 51 1HB PHE 51 0.404 0.887 6.775 345 HB3 PHE 51 2HB PHE 51 -0.853 2.120 6.798 346 HD1 PHE 51 1HD PHE 51 -0.530 4.205 8.017 347 HD2 PHE 51 2HD PHE 51 2.541 1.265 7.792 348 HE1 PHE 51 1HE PHE 51 1.116 5.870 8.774 349 HE2 PHE 51 2HE PHE 51 4.191 2.926 8.549 350 HZ PHE 51 HZ PHE 51 3.479 5.232 9.042 351 H ASN 52 H ASN 52 0.221 1.195 10.830 352 HA ASN 52 HA ASN 52 0.018 2.677 12.554 353 HB2 ASN 52 1HB ASN 52 -0.145 4.369 10.632 354 HB3 ASN 52 2HB ASN 52 -1.888 4.309 10.883 355 HD21 ASN 52 1HD2 ASN 52 1.113 5.499 12.012 356 HD22 ASN 52 2HD2 ASN 52 0.505 6.421 13.341 357 H GLY 53 H GLY 53 -1.853 0.431 11.963 358 HA2 GLY 53 1HA GLY 53 -3.638 -0.536 13.043 359 HA3 GLY 53 2HA GLY 53 -3.610 0.824 14.156 360 H ARG 54 H ARG 54 -4.019 1.122 10.681 361 HA ARG 54 HA ARG 54 -6.889 1.462 10.921 362 HB2 ARG 54 1HB ARG 54 -7.031 3.712 10.451 363 HB3 ARG 54 2HB ARG 54 -5.585 3.682 11.451 364 HG2 ARG 54 1HG ARG 54 -4.235 3.591 9.348 365 HG3 ARG 54 2HG ARG 54 -5.732 3.862 8.454 366 HD2 ARG 54 1HD ARG 54 -4.880 5.703 10.662 367 HD3 ARG 54 2HD ARG 54 -4.256 5.892 9.024 368 HE ARG 54 HE ARG 54 -7.132 5.748 9.205 369 HH11 ARG 54 2HH1 ARG 54 -4.330 7.815 9.232 370 HH12 ARG 54 1HH1 ARG 54 -5.209 9.231 8.757 371 HH21 ARG 54 2HH2 ARG 54 -8.300 7.605 8.580 372 HH22 ARG 54 1HH2 ARG 54 -7.467 9.111 8.388 373 H ILE 55 H ILE 55 -7.876 0.765 9.133 374 HA ILE 55 HA ILE 55 -6.241 0.033 6.842 375 HB ILE 55 HB ILE 55 -9.151 -0.515 7.438 376 HG12 ILE 55 1HG1 ILE 55 -6.789 -2.402 7.447 377 HG13 ILE 55 2HG1 ILE 55 -7.446 -1.647 8.895 378 HG21 ILE 55 1HG2 ILE 55 -9.135 -2.000 5.541 379 HG22 ILE 55 2HG2 ILE 55 -8.648 -0.389 5.018 380 HG23 ILE 55 3HG2 ILE 55 -7.434 -1.650 5.235 381 HD11 ILE 55 1HD1 ILE 55 -9.025 -3.187 9.056 382 HD12 ILE 55 2HD1 ILE 55 -9.521 -2.944 7.381 383 HD13 ILE 55 3HD1 ILE 55 -8.210 -4.062 7.760 384 H GLY 56 H GLY 56 -6.330 0.953 4.861 385 HA2 GLY 56 1HA GLY 56 -8.494 2.778 4.184 386 HA3 GLY 56 2HA GLY 56 -6.902 3.506 4.340 387 H VAL 57 H VAL 57 -7.349 4.079 2.056 388 HA VAL 57 HA VAL 57 -6.429 1.911 0.290 389 HB VAL 57 HB VAL 57 -7.832 2.837 -1.526 390 HG11 VAL 57 1HG1 VAL 57 -9.358 1.981 0.932 391 HG12 VAL 57 2HG1 VAL 57 -9.963 1.930 -0.726 392 HG13 VAL 57 3HG1 VAL 57 -8.603 0.911 -0.249 393 HG21 VAL 57 1HG2 VAL 57 -9.817 4.263 -0.615 394 HG22 VAL 57 2HG2 VAL 57 -8.676 4.691 0.660 395 HG23 VAL 57 3HG2 VAL 57 -8.289 5.043 -1.024 396 H PHE 58 H PHE 58 -4.922 2.460 -1.225 397 HA PHE 58 HA PHE 58 -4.108 5.286 -1.348 398 HB2 PHE 58 1HB PHE 58 -1.730 4.314 -1.640 399 HB3 PHE 58 2HB PHE 58 -2.417 4.362 -0.019 400 HD1 PHE 58 2HD PHE 58 -3.815 2.160 0.585 401 HD2 PHE 58 1HD PHE 58 -0.664 2.391 -2.267 402 HE1 PHE 58 2HE PHE 58 -3.431 -0.258 0.819 403 HE2 PHE 58 1HE PHE 58 -0.275 -0.028 -2.038 404 HZ PHE 58 HZ PHE 58 -1.658 -1.356 -0.492 405 HA PRO 59 HA PRO 59 -4.151 4.936 -5.721 406 HB2 PRO 59 1HB PRO 59 -2.077 6.540 -6.427 407 HB3 PRO 59 2HB PRO 59 -3.605 7.166 -5.797 408 HG2 PRO 59 1HG PRO 59 -1.011 6.715 -4.373 409 HG3 PRO 59 2HG PRO 59 -2.123 8.091 -4.262 410 HD2 PRO 59 1HD PRO 59 -2.054 6.122 -2.405 411 HD3 PRO 59 2HD PRO 59 -3.546 6.988 -2.824 412 H SER 60 H SER 60 -1.800 3.507 -3.896 413 HA SER 60 HA SER 60 -0.019 2.124 -4.300 414 HB2 SER 60 1HB SER 60 -1.452 1.244 -6.787 415 HB3 SER 60 2HB SER 60 -0.588 0.270 -5.598 416 HG SER 60 HG SER 60 -2.820 0.017 -5.345 417 H VAL 61 H VAL 61 0.434 4.699 -5.304 418 HA VAL 61 HA VAL 61 2.138 4.076 -7.622 419 HB VAL 61 HB VAL 61 1.741 6.403 -8.445 420 HG11 VAL 61 1HG1 VAL 61 -0.294 4.251 -8.411 421 HG12 VAL 61 2HG1 VAL 61 -0.784 5.817 -9.059 422 HG13 VAL 61 3HG1 VAL 61 0.587 4.958 -9.765 423 HG21 VAL 61 1HG2 VAL 61 0.897 7.691 -6.758 424 HG22 VAL 61 2HG2 VAL 61 -0.605 7.257 -7.573 425 HG23 VAL 61 3HG2 VAL 61 -0.109 6.392 -6.118 426 H LEU 62 H LEU 62 1.628 5.883 -4.679 427 HA LEU 62 HA LEU 62 4.217 7.190 -4.855 428 HB2 LEU 62 1HB LEU 62 2.130 7.199 -2.679 429 HB3 LEU 62 2HB LEU 62 3.603 8.168 -2.677 430 HG LEU 62 HG LEU 62 1.495 8.421 -4.810 431 HD11 LEU 62 1HD1 LEU 62 1.767 10.117 -2.336 432 HD12 LEU 62 2HD1 LEU 62 0.548 8.862 -2.553 433 HD13 LEU 62 3HD1 LEU 62 0.561 10.271 -3.613 434 HD21 LEU 62 1HD2 LEU 62 2.776 10.037 -5.665 435 HD22 LEU 62 2HD2 LEU 62 4.072 9.364 -4.676 436 HD23 LEU 62 3HD2 LEU 62 3.122 10.725 -4.079 437 H VAL 63 H VAL 63 3.897 4.216 -4.631 438 HA VAL 63 HA VAL 63 5.649 3.862 -2.292 439 HB VAL 63 HB VAL 63 4.663 1.696 -1.826 440 HG11 VAL 63 1HG1 VAL 63 2.162 2.673 -1.520 441 HG12 VAL 63 2HG1 VAL 63 3.515 3.074 -0.460 442 HG13 VAL 63 3HG1 VAL 63 3.064 4.167 -1.770 443 HG21 VAL 63 1HG2 VAL 63 3.758 0.651 -3.592 444 HG22 VAL 63 2HG2 VAL 63 2.287 1.522 -3.157 445 HG23 VAL 63 3HG2 VAL 63 3.355 2.164 -4.404 446 H GLU 64 H GLU 64 6.780 1.638 -2.442 447 HA GLU 64 HA GLU 64 7.460 1.000 -5.226 448 HB2 GLU 64 1HB GLU 64 9.807 1.057 -4.794 449 HB3 GLU 64 2HB GLU 64 9.139 2.585 -4.240 450 HG2 GLU 64 1HG GLU 64 9.424 2.056 -2.009 451 HG3 GLU 64 2HG GLU 64 9.492 0.323 -2.324 452 H GLU 65 H GLU 65 8.131 -1.117 -5.601 453 HA GLU 65 HA GLU 65 7.158 -3.040 -3.701 454 HB2 GLU 65 1HB GLU 65 8.301 -3.178 -6.466 455 HB3 GLU 65 2HB GLU 65 8.165 -4.646 -5.508 456 HG2 GLU 65 1HG GLU 65 6.182 -4.704 -6.621 457 HG3 GLU 65 2HG GLU 65 5.698 -3.820 -5.174 458 H LEU 66 H LEU 66 8.303 -4.482 -2.481 459 HA LEU 66 HA LEU 66 11.182 -3.948 -2.240 460 HB2 LEU 66 1HB LEU 66 9.327 -5.290 -0.279 461 HB3 LEU 66 2HB LEU 66 11.019 -4.878 -0.004 462 HG LEU 66 HG LEU 66 8.958 -2.770 -0.581 463 HD11 LEU 66 1HD1 LEU 66 8.203 -4.104 1.350 464 HD12 LEU 66 2HD1 LEU 66 8.658 -2.459 1.794 465 HD13 LEU 66 3HD1 LEU 66 9.751 -3.800 2.139 466 HD21 LEU 66 1HD2 LEU 66 10.536 -1.268 0.194 467 HD22 LEU 66 2HD2 LEU 66 11.533 -2.447 -0.660 468 HD23 LEU 66 3HD2 LEU 66 11.417 -2.498 1.100 469 H SER 67 H SER 67 11.845 -5.306 -3.938 470 HA SER 67 HA SER 67 11.707 -8.169 -3.278 471 HB2 SER 67 1HB SER 67 10.251 -7.303 -5.296 472 HB3 SER 67 2HB SER 67 11.796 -7.312 -6.146 473 HG SER 67 HG SER 67 10.354 -9.459 -5.047 474 H SER 68 H SER 68 13.622 -9.160 -3.216 475 HA SER 68 HA SER 68 16.023 -7.679 -3.558 476 HB2 SER 68 1HB SER 68 15.978 -9.404 -1.890 477 HB3 SER 68 2HB SER 68 15.509 -10.620 -3.077 478 HG SER 68 HG SER 68 17.907 -10.145 -2.335 479 H GLY 69 H GLY 69 17.587 -7.785 -5.134 480 HA2 GLY 69 1HA GLY 69 16.739 -8.316 -7.776 481 HA3 GLY 69 2HA GLY 69 18.389 -7.970 -7.278 482 HA PRO 70 HA PRO 70 19.437 -12.095 -8.367 483 HB2 PRO 70 1HB PRO 70 21.698 -12.379 -6.891 484 HB3 PRO 70 2HB PRO 70 21.623 -11.387 -8.353 485 HG2 PRO 70 1HG PRO 70 21.469 -10.547 -5.483 486 HG3 PRO 70 2HG PRO 70 22.359 -9.799 -6.822 487 HD2 PRO 70 1HD PRO 70 19.986 -8.842 -5.935 488 HD3 PRO 70 2HD PRO 70 20.486 -8.728 -7.635 489 H SER 71 H SER 71 18.123 -13.657 -7.618 490 HA SER 71 HA SER 71 18.173 -14.277 -4.743 491 HB2 SER 71 1HB SER 71 16.084 -14.568 -6.867 492 HB3 SER 71 2HB SER 71 16.060 -15.666 -5.487 493 HG SER 71 HG SER 71 14.836 -13.927 -4.913 494 H SER 72 H SER 72 18.247 -15.770 -7.958 495 HA SER 72 HA SER 72 18.608 -18.422 -7.116 496 HB2 SER 72 1HB SER 72 19.417 -18.845 -9.398 497 HB3 SER 72 2HB SER 72 17.983 -17.820 -9.419 498 HG SER 72 HG SER 72 19.163 -16.145 -10.055 499 H GLY 73 H GLY 73 20.439 -19.698 -6.853 500 HA2 GLY 73 1HA GLY 73 22.693 -20.180 -6.560 501 HA3 GLY 73 2HA GLY 73 23.080 -18.546 -7.079 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -5.801 -26.127 12.187 2 HA2 GLY 1 1HA GLY 1 -3.598 -26.477 10.316 3 HA3 GLY 1 2HA GLY 1 -5.159 -26.101 9.600 4 H SER 2 H SER 2 -2.390 -24.702 10.214 5 HA SER 2 HA SER 2 -3.610 -22.149 11.042 6 HB2 SER 2 1HB SER 2 -2.122 -22.768 12.792 7 HB3 SER 2 2HB SER 2 -0.874 -23.272 11.652 8 HG SER 2 HG SER 2 -1.732 -20.630 11.500 9 H SER 3 H SER 3 -1.084 -23.666 9.075 10 HA SER 3 HA SER 3 -0.671 -21.219 7.568 11 HB2 SER 3 1HB SER 3 1.040 -22.530 6.354 12 HB3 SER 3 2HB SER 3 1.275 -22.600 8.101 13 HG SER 3 HG SER 3 -0.231 -24.611 7.665 14 H GLY 4 H GLY 4 -0.896 -21.114 5.255 15 HA2 GLY 4 1HA GLY 4 -2.032 -23.015 3.599 16 HA3 GLY 4 2HA GLY 4 -3.381 -22.179 4.355 17 H SER 5 H SER 5 -3.398 -19.789 4.149 18 HA SER 5 HA SER 5 -3.118 -19.046 1.433 19 HB2 SER 5 1HB SER 5 -3.546 -17.246 3.829 20 HB3 SER 5 2HB SER 5 -3.878 -16.841 2.145 21 HG SER 5 HG SER 5 -5.095 -19.052 3.415 22 H SER 6 H SER 6 -1.153 -18.888 0.546 23 HA SER 6 HA SER 6 0.897 -17.337 1.987 24 HB2 SER 6 1HB SER 6 1.621 -19.626 1.654 25 HB3 SER 6 2HB SER 6 1.229 -19.539 -0.063 26 HG SER 6 HG SER 6 3.004 -17.648 0.965 27 H GLY 7 H GLY 7 0.050 -15.357 1.160 28 HA2 GLY 7 1HA GLY 7 1.169 -14.680 -1.420 29 HA3 GLY 7 2HA GLY 7 -0.586 -14.600 -1.353 30 H VAL 8 H VAL 8 1.734 -13.770 1.188 31 HA VAL 8 HA VAL 8 0.421 -11.264 1.654 32 HB VAL 8 HB VAL 8 2.177 -10.898 3.356 33 HG11 VAL 8 1HG1 VAL 8 1.407 -13.695 3.871 34 HG12 VAL 8 2HG1 VAL 8 1.139 -12.245 4.839 35 HG13 VAL 8 3HG1 VAL 8 0.088 -12.598 3.467 36 HG21 VAL 8 1HG2 VAL 8 3.942 -12.127 2.006 37 HG22 VAL 8 2HG2 VAL 8 3.928 -12.430 3.744 38 HG23 VAL 8 3HG2 VAL 8 3.240 -13.617 2.636 39 H CYS 9 H CYS 9 1.346 -9.178 1.482 40 HA CYS 9 HA CYS 9 3.792 -8.874 -0.059 41 HB2 CYS 9 1HB CYS 9 1.718 -9.077 -1.614 42 HB3 CYS 9 2HB CYS 9 1.340 -7.453 -1.055 43 HG CYS 9 HG CYS 9 3.905 -6.467 -1.910 44 H PHE 10 H PHE 10 4.623 -6.711 -0.042 45 HA PHE 10 HA PHE 10 3.305 -4.809 1.736 46 HB2 PHE 10 1HB PHE 10 6.064 -5.945 2.209 47 HB3 PHE 10 2HB PHE 10 5.485 -4.465 2.967 48 HD1 PHE 10 1HD PHE 10 3.556 -4.564 4.533 49 HD2 PHE 10 2HD PHE 10 5.437 -8.069 3.019 50 HE1 PHE 10 1HE PHE 10 2.535 -5.887 6.339 51 HE2 PHE 10 2HE PHE 10 4.419 -9.398 4.822 52 HZ PHE 10 HZ PHE 10 2.965 -8.308 6.484 53 H VAL 11 H VAL 11 4.114 -2.655 1.559 54 HA VAL 11 HA VAL 11 6.021 -2.131 -0.592 55 HB VAL 11 HB VAL 11 4.543 -0.459 -1.635 56 HG11 VAL 11 1HG1 VAL 11 2.920 -2.103 -2.651 57 HG12 VAL 11 2HG1 VAL 11 4.622 -2.566 -2.715 58 HG13 VAL 11 3HG1 VAL 11 3.551 -3.298 -1.518 59 HG21 VAL 11 1HG2 VAL 11 3.147 -0.139 0.444 60 HG22 VAL 11 2HG2 VAL 11 2.252 -0.232 -1.072 61 HG23 VAL 11 3HG2 VAL 11 2.306 -1.626 0.007 62 H LYS 12 H LYS 12 7.159 -0.246 -0.359 63 HA LYS 12 HA LYS 12 6.758 1.169 2.178 64 HB2 LYS 12 1HB LYS 12 8.979 0.156 1.725 65 HB3 LYS 12 2HB LYS 12 9.145 1.202 0.321 66 HG2 LYS 12 1HG LYS 12 8.833 3.141 1.962 67 HG3 LYS 12 2HG LYS 12 9.144 1.945 3.223 68 HD2 LYS 12 1HD LYS 12 11.257 2.810 2.817 69 HD3 LYS 12 2HD LYS 12 11.237 1.362 1.807 70 HE2 LYS 12 1HE LYS 12 10.836 2.637 -0.157 71 HE3 LYS 12 2HE LYS 12 10.502 4.094 0.778 72 HZ1 LYS 12 1HZ LYS 12 12.981 3.127 -0.180 73 HZ2 LYS 12 2HZ LYS 12 13.038 3.269 1.505 74 HZ3 LYS 12 3HZ LYS 12 12.630 4.610 0.557 75 H ALA 13 H ALA 13 6.076 3.214 2.245 76 HA ALA 13 HA ALA 13 5.164 4.537 -0.083 77 HB1 ALA 13 1HB ALA 13 5.399 5.291 2.799 78 HB2 ALA 13 2HB ALA 13 4.978 6.512 1.597 79 HB3 ALA 13 3HB ALA 13 3.956 5.090 1.805 80 H LEU 14 H LEU 14 6.783 4.943 -1.543 81 HA LEU 14 HA LEU 14 9.346 5.848 -1.052 82 HB2 LEU 14 1HB LEU 14 7.594 6.549 -3.403 83 HB3 LEU 14 2HB LEU 14 9.352 6.672 -3.351 84 HG LEU 14 HG LEU 14 7.826 4.082 -3.101 85 HD11 LEU 14 1HD1 LEU 14 9.076 3.921 -5.476 86 HD12 LEU 14 2HD1 LEU 14 8.684 5.639 -5.450 87 HD13 LEU 14 3HD1 LEU 14 7.402 4.440 -5.284 88 HD21 LEU 14 1HD2 LEU 14 10.554 4.823 -2.656 89 HD22 LEU 14 2HD2 LEU 14 10.456 3.730 -4.037 90 HD23 LEU 14 3HD2 LEU 14 9.785 3.246 -2.479 91 H TYR 15 H TYR 15 6.346 7.654 -1.208 92 HA TYR 15 HA TYR 15 7.796 10.023 -0.250 93 HB2 TYR 15 1HB TYR 15 5.504 10.180 -2.209 94 HB3 TYR 15 2HB TYR 15 6.549 11.490 -1.669 95 HD1 TYR 15 1HD TYR 15 6.582 8.289 -3.565 96 HD2 TYR 15 2HD TYR 15 8.475 12.037 -2.876 97 HE1 TYR 15 1HE TYR 15 8.068 7.884 -5.483 98 HE2 TYR 15 2HE TYR 15 9.965 11.643 -4.793 99 HH TYR 15 HH TYR 15 10.789 9.197 -6.010 100 H ASP 16 H ASP 16 6.743 11.255 1.270 101 HA ASP 16 HA ASP 16 4.898 10.008 2.947 102 HB2 ASP 16 1HB ASP 16 4.541 12.437 3.801 103 HB3 ASP 16 2HB ASP 16 6.133 11.701 3.966 104 H TYR 17 H TYR 17 2.814 9.603 2.681 105 HA TYR 17 HA TYR 17 1.299 11.154 0.711 106 HB2 TYR 17 1HB TYR 17 1.279 8.717 0.451 107 HB3 TYR 17 2HB TYR 17 0.634 8.537 2.078 108 HD1 TYR 17 1HD TYR 17 -1.646 9.670 2.551 109 HD2 TYR 17 2HD TYR 17 -0.174 8.876 -1.361 110 HE1 TYR 17 1HE TYR 17 -3.936 9.818 1.666 111 HE2 TYR 17 2HE TYR 17 -2.460 9.023 -2.257 112 HH TYR 17 HH TYR 17 -4.946 8.628 -1.028 113 H GLU 18 H GLU 18 -0.273 12.523 1.270 114 HA GLU 18 HA GLU 18 -1.154 12.536 4.083 115 HB2 GLU 18 1HB GLU 18 -0.536 14.793 2.200 116 HB3 GLU 18 2HB GLU 18 -1.627 15.033 3.558 117 HG2 GLU 18 1HG GLU 18 0.048 14.679 5.129 118 HG3 GLU 18 2HG GLU 18 1.100 13.875 3.966 119 H GLY 19 H GLY 19 -3.006 11.327 3.833 120 HA2 GLY 19 1HA GLY 19 -4.860 11.637 1.722 121 HA3 GLY 19 2HA GLY 19 -5.179 10.854 3.263 122 H GLN 20 H GLN 20 -6.751 12.765 1.540 123 HA GLN 20 HA GLN 20 -6.974 15.131 3.194 124 HB2 GLN 20 1HB GLN 20 -8.681 14.256 0.858 125 HB3 GLN 20 2HB GLN 20 -8.665 15.852 1.596 126 HG2 GLN 20 1HG GLN 20 -6.117 15.759 0.974 127 HG3 GLN 20 2HG GLN 20 -6.676 14.570 -0.202 128 HE21 GLN 20 1HE2 GLN 20 -7.794 17.706 1.040 129 HE22 GLN 20 2HE2 GLN 20 -8.093 18.405 -0.511 130 H THR 21 H THR 21 -8.660 12.111 2.695 131 HA THR 21 HA THR 21 -10.543 12.868 4.834 132 HB THR 21 HB THR 21 -12.139 11.218 3.807 133 HG1 THR 21 1HG THR 21 -11.611 10.963 1.427 134 HG21 THR 21 1HG2 THR 21 -11.456 13.873 2.904 135 HG22 THR 21 2HG2 THR 21 -13.044 13.132 3.104 136 HG23 THR 21 3HG2 THR 21 -12.159 12.926 1.593 137 H ASP 22 H ASP 22 -11.522 10.836 5.880 138 HA ASP 22 HA ASP 22 -9.437 9.372 7.085 139 HB2 ASP 22 1HB ASP 22 -12.325 8.514 7.089 140 HB3 ASP 22 2HB ASP 22 -11.113 8.283 8.347 141 H ASP 23 H ASP 23 -11.868 8.450 4.667 142 HA ASP 23 HA ASP 23 -11.441 5.795 4.358 143 HB2 ASP 23 1HB ASP 23 -11.717 6.303 1.802 144 HB3 ASP 23 2HB ASP 23 -13.041 6.643 2.914 145 H GLU 24 H GLU 24 -9.387 8.380 3.078 146 HA GLU 24 HA GLU 24 -7.581 6.608 1.757 147 HB2 GLU 24 1HB GLU 24 -7.387 9.516 2.535 148 HB3 GLU 24 2HB GLU 24 -6.108 8.670 1.675 149 HG2 GLU 24 1HG GLU 24 -7.326 8.500 -0.259 150 HG3 GLU 24 2HG GLU 24 -8.873 8.604 0.578 151 H LEU 25 H LEU 25 -5.127 6.906 2.343 152 HA LEU 25 HA LEU 25 -4.838 6.460 5.242 153 HB2 LEU 25 1HB LEU 25 -4.593 4.496 3.496 154 HB3 LEU 25 2HB LEU 25 -2.980 5.178 3.301 155 HG LEU 25 HG LEU 25 -2.701 4.901 5.801 156 HD11 LEU 25 1HD1 LEU 25 -4.981 4.695 6.487 157 HD12 LEU 25 2HD1 LEU 25 -4.167 3.167 6.823 158 HD13 LEU 25 3HD1 LEU 25 -5.230 3.310 5.424 159 HD21 LEU 25 1HD2 LEU 25 -3.075 2.498 4.023 160 HD22 LEU 25 2HD2 LEU 25 -2.296 2.445 5.604 161 HD23 LEU 25 3HD2 LEU 25 -1.589 3.406 4.304 162 H SER 26 H SER 26 -3.244 7.529 6.272 163 HA SER 26 HA SER 26 -1.449 9.182 4.619 164 HB2 SER 26 1HB SER 26 -1.486 10.864 6.337 165 HB3 SER 26 2HB SER 26 -3.158 10.428 5.985 166 HG SER 26 HG SER 26 -3.038 9.015 7.830 167 H PHE 27 H PHE 27 0.573 8.484 4.651 168 HA PHE 27 HA PHE 27 1.696 7.518 7.187 169 HB2 PHE 27 1HB PHE 27 3.078 5.963 5.515 170 HB3 PHE 27 2HB PHE 27 1.545 5.453 6.216 171 HD1 PHE 27 2HD PHE 27 3.035 7.026 3.205 172 HD2 PHE 27 1HD PHE 27 -0.251 4.879 4.852 173 HE1 PHE 27 2HE PHE 27 2.113 6.711 0.946 174 HE2 PHE 27 1HE PHE 27 -1.178 4.560 2.595 175 HZ PHE 27 HZ PHE 27 0.004 5.478 0.639 176 HA PRO 28 HA PRO 28 5.074 10.195 6.360 177 HB2 PRO 28 1HB PRO 28 7.117 8.841 7.526 178 HB3 PRO 28 2HB PRO 28 5.855 9.660 8.453 179 HG2 PRO 28 1HG PRO 28 6.115 6.760 7.758 180 HG3 PRO 28 2HG PRO 28 5.644 7.504 9.297 181 HD2 PRO 28 1HD PRO 28 3.836 6.477 7.562 182 HD3 PRO 28 2HD PRO 28 3.477 7.871 8.601 183 H GLU 29 H GLU 29 7.538 9.987 5.668 184 HA GLU 29 HA GLU 29 7.489 8.721 3.073 185 HB2 GLU 29 1HB GLU 29 8.434 10.923 3.191 186 HB3 GLU 29 2HB GLU 29 9.537 10.441 4.472 187 HG2 GLU 29 1HG GLU 29 10.545 8.826 2.799 188 HG3 GLU 29 2HG GLU 29 9.617 9.685 1.571 189 H GLY 30 H GLY 30 7.811 6.578 3.046 190 HA2 GLY 30 1HA GLY 30 9.395 4.801 2.952 191 HA3 GLY 30 2HA GLY 30 10.298 5.578 4.244 192 H ALA 31 H ALA 31 6.875 4.644 3.949 193 HA ALA 31 HA ALA 31 7.193 3.113 6.447 194 HB1 ALA 31 1HB ALA 31 5.375 5.173 5.780 195 HB2 ALA 31 2HB ALA 31 4.452 3.676 5.924 196 HB3 ALA 31 3HB ALA 31 5.458 4.225 7.265 197 H ILE 32 H ILE 32 6.555 1.022 6.516 198 HA ILE 32 HA ILE 32 5.959 -0.269 3.997 199 HB ILE 32 HB ILE 32 6.346 -1.427 6.759 200 HG12 ILE 32 1HG1 ILE 32 8.435 -0.603 6.084 201 HG13 ILE 32 2HG1 ILE 32 8.479 -2.289 5.581 202 HG21 ILE 32 1HG2 ILE 32 5.770 -3.440 5.998 203 HG22 ILE 32 2HG2 ILE 32 5.064 -2.606 4.615 204 HG23 ILE 32 3HG2 ILE 32 6.709 -3.233 4.519 205 HD11 ILE 32 1HD1 ILE 32 8.099 0.150 3.882 206 HD12 ILE 32 2HD1 ILE 32 9.371 -1.069 3.795 207 HD13 ILE 32 3HD1 ILE 32 7.726 -1.473 3.304 208 H ILE 33 H ILE 33 4.032 -0.992 3.334 209 HA ILE 33 HA ILE 33 1.808 -0.977 5.269 210 HB ILE 33 HB ILE 33 1.667 -0.242 2.342 211 HG12 ILE 33 1HG1 ILE 33 0.993 1.606 4.601 212 HG13 ILE 33 2HG1 ILE 33 2.679 1.380 4.149 213 HG21 ILE 33 1HG2 ILE 33 -0.452 -0.409 4.476 214 HG22 ILE 33 2HG2 ILE 33 -0.678 0.405 2.929 215 HG23 ILE 33 3HG2 ILE 33 -0.360 -1.329 2.974 216 HD11 ILE 33 1HD1 ILE 33 1.666 1.864 1.735 217 HD12 ILE 33 2HD1 ILE 33 0.496 2.748 2.714 218 HD13 ILE 33 3HD1 ILE 33 2.212 3.141 2.822 219 H ARG 34 H ARG 34 0.241 -2.585 5.070 220 HA ARG 34 HA ARG 34 1.173 -4.996 3.732 221 HB2 ARG 34 1HB ARG 34 0.368 -4.978 6.125 222 HB3 ARG 34 2HB ARG 34 -1.250 -4.676 5.504 223 HG2 ARG 34 1HG ARG 34 -1.458 -6.788 4.627 224 HG3 ARG 34 2HG ARG 34 0.286 -7.015 4.482 225 HD2 ARG 34 1HD ARG 34 -0.423 -8.413 6.255 226 HD3 ARG 34 2HD ARG 34 0.373 -7.028 7.002 227 HE ARG 34 HE ARG 34 -1.621 -6.448 7.964 228 HH11 ARG 34 2HH1 ARG 34 -2.211 -8.739 5.410 229 HH12 ARG 34 1HH1 ARG 34 -3.886 -8.941 5.800 230 HH21 ARG 34 2HH2 ARG 34 -3.826 -6.706 8.488 231 HH22 ARG 34 1HH2 ARG 34 -4.805 -7.783 7.551 232 H ILE 35 H ILE 35 0.699 -4.909 1.598 233 HA ILE 35 HA ILE 35 -1.635 -3.767 0.496 234 HB ILE 35 HB ILE 35 0.251 -5.813 -0.676 235 HG12 ILE 35 1HG1 ILE 35 1.350 -3.707 -0.161 236 HG13 ILE 35 2HG1 ILE 35 1.153 -3.855 -1.903 237 HG21 ILE 35 1HG2 ILE 35 -1.758 -4.100 -2.127 238 HG22 ILE 35 2HG2 ILE 35 -0.698 -5.326 -2.821 239 HG23 ILE 35 3HG2 ILE 35 -2.002 -5.802 -1.733 240 HD11 ILE 35 1HD1 ILE 35 -1.132 -2.530 -1.000 241 HD12 ILE 35 2HD1 ILE 35 0.222 -1.808 -0.130 242 HD13 ILE 35 3HD1 ILE 35 0.228 -1.850 -1.893 243 H LEU 36 H LEU 36 -3.456 -4.581 1.523 244 HA LEU 36 HA LEU 36 -3.978 -7.369 1.785 245 HB2 LEU 36 1HB LEU 36 -5.884 -5.036 1.880 246 HB3 LEU 36 2HB LEU 36 -6.236 -6.677 2.419 247 HG LEU 36 HG LEU 36 -4.038 -5.042 3.656 248 HD11 LEU 36 1HD1 LEU 36 -5.886 -4.750 5.486 249 HD12 LEU 36 2HD1 LEU 36 -6.980 -4.909 4.113 250 HD13 LEU 36 3HD1 LEU 36 -5.775 -3.622 4.135 251 HD21 LEU 36 1HD2 LEU 36 -3.984 -7.422 4.098 252 HD22 LEU 36 2HD2 LEU 36 -5.676 -7.396 4.595 253 HD23 LEU 36 3HD2 LEU 36 -4.461 -6.551 5.555 254 H ASN 37 H ASN 37 -4.992 -4.875 -0.513 255 HA ASN 37 HA ASN 37 -5.678 -6.987 -2.415 256 HB2 ASN 37 1HB ASN 37 -7.523 -4.759 -1.554 257 HB3 ASN 37 2HB ASN 37 -7.738 -5.640 -3.064 258 HD21 ASN 37 1HD2 ASN 37 -8.453 -5.544 0.197 259 HD22 ASN 37 2HD2 ASN 37 -9.084 -7.142 0.375 260 H LYS 38 H LYS 38 -4.714 -6.607 -4.290 261 HA LYS 38 HA LYS 38 -4.243 -3.821 -5.109 262 HB2 LYS 38 1HB LYS 38 -2.066 -4.704 -6.133 263 HB3 LYS 38 2HB LYS 38 -2.105 -4.471 -4.390 264 HG2 LYS 38 1HG LYS 38 -1.149 -6.523 -4.455 265 HG3 LYS 38 2HG LYS 38 -2.844 -7.016 -4.443 266 HD2 LYS 38 1HD LYS 38 -2.101 -8.265 -6.204 267 HD3 LYS 38 2HD LYS 38 -2.548 -6.790 -7.065 268 HE2 LYS 38 1HE LYS 38 -0.239 -6.031 -6.998 269 HE3 LYS 38 2HE LYS 38 0.222 -7.460 -6.074 270 HZ1 LYS 38 1HZ LYS 38 0.279 -8.714 -7.905 271 HZ2 LYS 38 2HZ LYS 38 0.342 -7.254 -8.756 272 HZ3 LYS 38 3HZ LYS 38 -1.138 -8.047 -8.546 273 H GLU 39 H GLU 39 -4.762 -7.166 -6.020 274 HA GLU 39 HA GLU 39 -4.670 -6.830 -8.817 275 HB2 GLU 39 1HB GLU 39 -5.752 -8.881 -6.954 276 HB3 GLU 39 2HB GLU 39 -6.340 -8.903 -8.610 277 HG2 GLU 39 1HG GLU 39 -3.408 -8.777 -8.118 278 HG3 GLU 39 2HG GLU 39 -4.255 -10.308 -7.905 279 H ASN 40 H ASN 40 -5.807 -4.855 -9.177 280 HA ASN 40 HA ASN 40 -8.681 -5.276 -9.486 281 HB2 ASN 40 1HB ASN 40 -8.940 -2.803 -8.695 282 HB3 ASN 40 2HB ASN 40 -8.821 -4.084 -7.492 283 HD21 ASN 40 1HD2 ASN 40 -7.073 -1.530 -9.128 284 HD22 ASN 40 2HD2 ASN 40 -5.850 -1.336 -7.923 285 H GLN 41 H GLN 41 -9.012 -5.021 -11.589 286 HA GLN 41 HA GLN 41 -7.673 -2.779 -12.954 287 HB2 GLN 41 1HB GLN 41 -7.731 -4.174 -15.022 288 HB3 GLN 41 2HB GLN 41 -6.682 -4.812 -13.763 289 HG2 GLN 41 1HG GLN 41 -8.165 -6.544 -13.244 290 HG3 GLN 41 2HG GLN 41 -9.501 -5.769 -14.094 291 HE21 GLN 41 1HE2 GLN 41 -9.854 -7.672 -15.277 292 HE22 GLN 41 2HE2 GLN 41 -8.826 -8.121 -16.591 293 H ASP 42 H ASP 42 -10.590 -4.419 -12.233 294 HA ASP 42 HA ASP 42 -12.116 -3.192 -14.366 295 HB2 ASP 42 1HB ASP 42 -12.929 -4.875 -11.991 296 HB3 ASP 42 2HB ASP 42 -14.067 -4.247 -13.180 297 H ASP 43 H ASP 43 -11.855 -2.889 -10.840 298 HA ASP 43 HA ASP 43 -12.624 -0.103 -11.016 299 HB2 ASP 43 1HB ASP 43 -14.300 -0.633 -9.030 300 HB3 ASP 43 2HB ASP 43 -14.815 -0.719 -10.712 301 H ASP 44 H ASP 44 -12.653 0.863 -8.706 302 HA ASP 44 HA ASP 44 -11.470 1.388 -6.835 303 HB2 ASP 44 1HB ASP 44 -10.746 -1.508 -6.498 304 HB3 ASP 44 2HB ASP 44 -11.100 -0.304 -5.262 305 H GLY 45 H GLY 45 -10.080 1.876 -9.067 306 HA2 GLY 45 1HA GLY 45 -7.708 0.695 -9.656 307 HA3 GLY 45 2HA GLY 45 -7.914 2.440 -9.636 308 H PHE 46 H PHE 46 -8.502 2.266 -6.675 309 HA PHE 46 HA PHE 46 -5.738 2.493 -5.834 310 HB2 PHE 46 1HB PHE 46 -8.371 3.102 -4.497 311 HB3 PHE 46 2HB PHE 46 -6.838 3.198 -3.637 312 HD1 PHE 46 2HD PHE 46 -7.987 4.271 -7.023 313 HD2 PHE 46 1HD PHE 46 -6.193 5.370 -3.324 314 HE1 PHE 46 2HE PHE 46 -7.664 6.560 -7.865 315 HE2 PHE 46 1HE PHE 46 -5.867 7.662 -4.159 316 HZ PHE 46 HZ PHE 46 -6.602 8.259 -6.432 317 H TRP 47 H TRP 47 -4.835 1.380 -4.051 318 HA TRP 47 HA TRP 47 -5.971 -1.299 -3.688 319 HB2 TRP 47 1HB TRP 47 -3.184 -0.238 -3.180 320 HB3 TRP 47 2HB TRP 47 -3.697 -1.890 -2.848 321 HD1 TRP 47 HD TRP 47 -5.481 -1.523 -5.816 322 HE1 TRP 47 1HE TRP 47 -4.144 -2.156 -7.922 323 HE3 TRP 47 3HE TRP 47 -0.759 -1.333 -3.866 324 HZ2 TRP 47 2HZ TRP 47 -1.444 -2.527 -8.659 325 HZ3 TRP 47 3HZ TRP 47 1.146 -1.841 -5.338 326 HH2 TRP 47 HH TRP 47 0.809 -2.426 -7.684 327 H GLU 48 H GLU 48 -6.018 -2.270 -1.590 328 HA GLU 48 HA GLU 48 -6.285 -0.288 0.572 329 HB2 GLU 48 1HB GLU 48 -8.303 -1.711 -0.279 330 HB3 GLU 48 2HB GLU 48 -7.560 -3.000 0.658 331 HG2 GLU 48 1HG GLU 48 -7.642 -1.534 2.651 332 HG3 GLU 48 2HG GLU 48 -8.512 -0.340 1.690 333 H GLY 49 H GLY 49 -5.051 -0.480 2.340 334 HA2 GLY 49 1HA GLY 49 -3.897 -3.047 3.070 335 HA3 GLY 49 2HA GLY 49 -2.747 -1.814 2.574 336 H GLU 50 H GLU 50 -3.090 -3.140 5.173 337 HA GLU 50 HA GLU 50 -3.941 -0.900 6.863 338 HB2 GLU 50 1HB GLU 50 -4.934 -3.047 7.418 339 HB3 GLU 50 2HB GLU 50 -3.342 -3.782 7.546 340 HG2 GLU 50 1HG GLU 50 -2.913 -2.039 9.382 341 HG3 GLU 50 2HG GLU 50 -4.663 -1.830 9.387 342 H PHE 51 H PHE 51 -2.384 0.495 7.348 343 HA PHE 51 HA PHE 51 0.394 -0.322 7.397 344 HB2 PHE 51 1HB PHE 51 0.139 1.776 6.400 345 HB3 PHE 51 2HB PHE 51 -1.041 2.307 7.593 346 HD1 PHE 51 2HD PHE 51 2.438 0.967 7.788 347 HD2 PHE 51 1HD PHE 51 -0.272 4.087 8.806 348 HE1 PHE 51 2HE PHE 51 4.224 2.104 9.041 349 HE2 PHE 51 1HE PHE 51 1.510 5.230 10.060 350 HZ PHE 51 HZ PHE 51 3.761 4.238 10.180 351 H ASN 52 H ASN 52 -1.353 1.775 9.675 352 HA ASN 52 HA ASN 52 -0.249 0.171 11.883 353 HB2 ASN 52 1HB ASN 52 -0.109 3.119 11.417 354 HB3 ASN 52 2HB ASN 52 -0.257 2.537 13.073 355 HD21 ASN 52 1HD2 ASN 52 1.865 3.631 13.198 356 HD22 ASN 52 2HD2 ASN 52 3.273 2.708 12.808 357 H GLY 53 H GLY 53 -2.239 -0.892 12.142 358 HA2 GLY 53 1HA GLY 53 -4.337 -1.204 13.019 359 HA3 GLY 53 2HA GLY 53 -4.016 0.234 13.976 360 H ARG 54 H ARG 54 -3.785 0.857 10.672 361 HA ARG 54 HA ARG 54 -6.537 1.915 10.641 362 HB2 ARG 54 1HB ARG 54 -3.947 3.084 9.703 363 HB3 ARG 54 2HB ARG 54 -5.437 3.531 8.884 364 HG2 ARG 54 1HG ARG 54 -5.371 3.705 11.846 365 HG3 ARG 54 2HG ARG 54 -4.489 4.918 10.916 366 HD2 ARG 54 1HD ARG 54 -6.525 5.941 11.040 367 HD3 ARG 54 2HD ARG 54 -6.753 5.010 9.560 368 HE ARG 54 HE ARG 54 -8.310 3.721 10.645 369 HH11 ARG 54 2HH1 ARG 54 -6.522 5.586 12.978 370 HH12 ARG 54 1HH1 ARG 54 -7.559 5.167 14.302 371 HH21 ARG 54 2HH2 ARG 54 -9.683 3.162 12.379 372 HH22 ARG 54 1HH2 ARG 54 -9.356 3.788 13.960 373 H ILE 55 H ILE 55 -7.456 2.183 8.437 374 HA ILE 55 HA ILE 55 -6.367 0.378 6.420 375 HB ILE 55 HB ILE 55 -9.177 0.098 7.493 376 HG12 ILE 55 1HG1 ILE 55 -6.948 -1.941 7.480 377 HG13 ILE 55 2HG1 ILE 55 -7.296 -0.903 8.859 378 HG21 ILE 55 1HG2 ILE 55 -8.926 -0.162 5.016 379 HG22 ILE 55 2HG2 ILE 55 -7.842 -1.516 5.331 380 HG23 ILE 55 3HG2 ILE 55 -9.525 -1.595 5.852 381 HD11 ILE 55 1HD1 ILE 55 -9.289 -1.965 9.318 382 HD12 ILE 55 2HD1 ILE 55 -9.449 -2.599 7.679 383 HD13 ILE 55 3HD1 ILE 55 -8.262 -3.295 8.783 384 H GLY 56 H GLY 56 -6.175 1.732 4.748 385 HA2 GLY 56 1HA GLY 56 -8.582 3.199 3.903 386 HA3 GLY 56 2HA GLY 56 -7.053 4.056 4.037 387 H VAL 57 H VAL 57 -7.600 4.493 1.724 388 HA VAL 57 HA VAL 57 -6.558 2.319 0.027 389 HB VAL 57 HB VAL 57 -7.937 3.176 -1.822 390 HG11 VAL 57 1HG1 VAL 57 -9.680 2.593 0.561 391 HG12 VAL 57 2HG1 VAL 57 -9.988 2.204 -1.133 392 HG13 VAL 57 3HG1 VAL 57 -8.712 1.364 -0.252 393 HG21 VAL 57 1HG2 VAL 57 -8.348 5.352 0.000 394 HG22 VAL 57 2HG2 VAL 57 -8.769 5.234 -1.708 395 HG23 VAL 57 3HG2 VAL 57 -9.901 4.667 -0.480 396 H PHE 58 H PHE 58 -4.821 2.798 -1.159 397 HA PHE 58 HA PHE 58 -4.061 5.634 -1.409 398 HB2 PHE 58 1HB PHE 58 -1.691 4.525 -1.699 399 HB3 PHE 58 2HB PHE 58 -2.363 4.788 -0.093 400 HD1 PHE 58 2HD PHE 58 -3.866 2.758 0.766 401 HD2 PHE 58 1HD PHE 58 -0.765 2.480 -2.137 402 HE1 PHE 58 2HE PHE 58 -3.624 0.360 1.259 403 HE2 PHE 58 1HE PHE 58 -0.519 0.081 -1.649 404 HZ PHE 58 HZ PHE 58 -1.948 -0.982 0.052 405 HA PRO 59 HA PRO 59 -3.965 5.289 -5.780 406 HB2 PRO 59 1HB PRO 59 -1.801 6.793 -6.429 407 HB3 PRO 59 2HB PRO 59 -3.315 7.491 -5.841 408 HG2 PRO 59 1HG PRO 59 -0.784 6.921 -4.346 409 HG3 PRO 59 2HG PRO 59 -1.834 8.348 -4.266 410 HD2 PRO 59 1HD PRO 59 -1.908 6.380 -2.408 411 HD3 PRO 59 2HD PRO 59 -3.346 7.314 -2.867 412 H SER 60 H SER 60 -1.762 3.731 -3.895 413 HA SER 60 HA SER 60 -0.042 2.259 -4.246 414 HB2 SER 60 1HB SER 60 -0.533 0.577 -5.998 415 HB3 SER 60 2HB SER 60 -1.948 0.940 -5.010 416 HG SER 60 HG SER 60 -1.507 2.361 -7.393 417 H VAL 61 H VAL 61 0.495 4.859 -5.272 418 HA VAL 61 HA VAL 61 2.274 4.164 -7.516 419 HB VAL 61 HB VAL 61 2.003 6.383 -8.443 420 HG11 VAL 61 1HG1 VAL 61 -0.822 5.964 -8.277 421 HG12 VAL 61 2HG1 VAL 61 0.278 5.619 -9.614 422 HG13 VAL 61 3HG1 VAL 61 -0.001 4.406 -8.363 423 HG21 VAL 61 1HG2 VAL 61 0.397 6.836 -5.966 424 HG22 VAL 61 2HG2 VAL 61 1.634 7.854 -6.703 425 HG23 VAL 61 3HG2 VAL 61 0.029 7.754 -7.426 426 H LEU 62 H LEU 62 1.793 5.921 -4.540 427 HA LEU 62 HA LEU 62 4.447 7.092 -4.613 428 HB2 LEU 62 1HB LEU 62 2.300 7.126 -2.499 429 HB3 LEU 62 2HB LEU 62 3.832 7.990 -2.386 430 HG LEU 62 HG LEU 62 1.746 8.494 -4.506 431 HD11 LEU 62 1HD1 LEU 62 2.049 10.678 -2.732 432 HD12 LEU 62 2HD1 LEU 62 1.753 9.236 -1.763 433 HD13 LEU 62 3HD1 LEU 62 0.615 9.695 -3.029 434 HD21 LEU 62 1HD2 LEU 62 3.719 10.549 -3.827 435 HD22 LEU 62 2HD2 LEU 62 3.144 9.999 -5.401 436 HD23 LEU 62 3HD2 LEU 62 4.402 9.096 -4.556 437 H VAL 63 H VAL 63 3.630 4.081 -4.277 438 HA VAL 63 HA VAL 63 5.523 3.567 -2.076 439 HB VAL 63 HB VAL 63 4.315 1.565 -1.478 440 HG11 VAL 63 1HG1 VAL 63 2.869 4.159 -1.552 441 HG12 VAL 63 2HG1 VAL 63 1.985 2.729 -1.014 442 HG13 VAL 63 3HG1 VAL 63 3.453 3.228 -0.173 443 HG21 VAL 63 1HG2 VAL 63 3.225 0.546 -3.149 444 HG22 VAL 63 2HG2 VAL 63 1.881 1.608 -2.727 445 HG23 VAL 63 3HG2 VAL 63 2.979 2.053 -4.033 446 H GLU 64 H GLU 64 6.721 1.551 -2.253 447 HA GLU 64 HA GLU 64 7.080 0.712 -5.055 448 HB2 GLU 64 1HB GLU 64 9.412 0.529 -4.724 449 HB3 GLU 64 2HB GLU 64 8.956 2.069 -4.009 450 HG2 GLU 64 1HG GLU 64 10.311 1.265 -2.374 451 HG3 GLU 64 2HG GLU 64 8.765 0.622 -1.823 452 H GLU 65 H GLU 65 8.107 -1.486 -5.255 453 HA GLU 65 HA GLU 65 6.754 -3.310 -3.407 454 HB2 GLU 65 1HB GLU 65 6.617 -3.327 -6.048 455 HB3 GLU 65 2HB GLU 65 8.105 -4.250 -5.898 456 HG2 GLU 65 1HG GLU 65 6.766 -5.702 -4.239 457 HG3 GLU 65 2HG GLU 65 5.352 -4.951 -4.976 458 H LEU 66 H LEU 66 7.864 -4.354 -1.902 459 HA LEU 66 HA LEU 66 10.722 -4.171 -1.772 460 HB2 LEU 66 1HB LEU 66 8.719 -5.646 -0.072 461 HB3 LEU 66 2HB LEU 66 10.445 -5.565 0.278 462 HG LEU 66 HG LEU 66 8.934 -3.014 -0.012 463 HD11 LEU 66 1HD1 LEU 66 8.027 -3.067 2.135 464 HD12 LEU 66 2HD1 LEU 66 8.972 -4.480 2.602 465 HD13 LEU 66 3HD1 LEU 66 7.632 -4.651 1.469 466 HD21 LEU 66 1HD2 LEU 66 10.523 -2.411 1.846 467 HD22 LEU 66 2HD2 LEU 66 11.275 -2.811 0.302 468 HD23 LEU 66 3HD2 LEU 66 11.272 -3.991 1.613 469 H SER 67 H SER 67 11.373 -5.272 -3.677 470 HA SER 67 HA SER 67 10.695 -7.779 -4.537 471 HB2 SER 67 1HB SER 67 12.439 -6.037 -5.452 472 HB3 SER 67 2HB SER 67 13.593 -7.014 -4.544 473 HG SER 67 HG SER 67 11.874 -7.857 -6.635 474 H SER 68 H SER 68 13.490 -7.106 -2.421 475 HA SER 68 HA SER 68 13.741 -9.881 -1.715 476 HB2 SER 68 1HB SER 68 15.703 -8.358 -1.903 477 HB3 SER 68 2HB SER 68 15.118 -7.478 -0.492 478 HG SER 68 HG SER 68 16.121 -8.916 0.646 479 H GLY 69 H GLY 69 13.142 -10.891 0.146 480 HA2 GLY 69 1HA GLY 69 11.837 -9.267 2.227 481 HA3 GLY 69 2HA GLY 69 10.986 -10.639 1.533 482 HA PRO 70 HA PRO 70 13.715 -11.850 5.224 483 HB2 PRO 70 1HB PRO 70 11.728 -12.316 7.014 484 HB3 PRO 70 2HB PRO 70 12.514 -10.742 6.840 485 HG2 PRO 70 1HG PRO 70 9.900 -11.687 5.729 486 HG3 PRO 70 2HG PRO 70 10.300 -10.131 6.481 487 HD2 PRO 70 1HD PRO 70 10.136 -10.454 3.797 488 HD3 PRO 70 2HD PRO 70 11.257 -9.304 4.554 489 H SER 71 H SER 71 11.470 -13.080 3.139 490 HA SER 71 HA SER 71 11.094 -15.208 2.395 491 HB2 SER 71 1HB SER 71 13.505 -15.537 3.346 492 HB3 SER 71 2HB SER 71 12.681 -16.370 4.664 493 HG SER 71 HG SER 71 13.362 -17.702 2.827 494 H SER 72 H SER 72 9.117 -14.112 3.743 495 HA SER 72 HA SER 72 8.300 -15.816 5.951 496 HB2 SER 72 1HB SER 72 7.214 -13.315 4.696 497 HB3 SER 72 2HB SER 72 6.182 -14.296 5.737 498 HG SER 72 HG SER 72 8.722 -13.704 6.694 499 H GLY 73 H GLY 73 6.122 -16.795 5.953 500 HA2 GLY 73 1HA GLY 73 4.944 -17.381 3.367 501 HA3 GLY 73 2HA GLY 73 5.715 -18.748 4.158 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.183 -11.967 9.804 2 HA2 GLY 1 1HA GLY 1 -5.700 -9.925 9.645 3 HA3 GLY 1 2HA GLY 1 -4.501 -9.339 8.501 4 H SER 2 H SER 2 -7.331 -9.835 8.064 5 HA SER 2 HA SER 2 -7.901 -12.206 6.748 6 HB2 SER 2 1HB SER 2 -8.932 -9.402 6.316 7 HB3 SER 2 2HB SER 2 -9.574 -10.790 5.438 8 HG SER 2 HG SER 2 -9.399 -10.837 8.247 9 H SER 3 H SER 3 -7.080 -13.124 4.999 10 HA SER 3 HA SER 3 -5.816 -11.403 2.967 11 HB2 SER 3 1HB SER 3 -4.147 -12.745 4.152 12 HB3 SER 3 2HB SER 3 -5.048 -14.216 3.785 13 HG SER 3 HG SER 3 -3.343 -13.906 2.311 14 H GLY 4 H GLY 4 -6.438 -11.633 0.891 15 HA2 GLY 4 1HA GLY 4 -8.753 -13.274 0.353 16 HA3 GLY 4 2HA GLY 4 -7.983 -12.153 -0.761 17 H SER 5 H SER 5 -5.524 -13.010 -1.142 18 HA SER 5 HA SER 5 -5.775 -15.842 -1.914 19 HB2 SER 5 1HB SER 5 -4.414 -15.268 -3.944 20 HB3 SER 5 2HB SER 5 -6.017 -14.533 -3.924 21 HG SER 5 HG SER 5 -5.140 -12.588 -3.521 22 H SER 6 H SER 6 -3.464 -16.647 -2.634 23 HA SER 6 HA SER 6 -1.762 -16.236 -0.316 24 HB2 SER 6 1HB SER 6 -1.978 -18.291 -2.464 25 HB3 SER 6 2HB SER 6 -0.411 -18.084 -1.683 26 HG SER 6 HG SER 6 -1.234 -18.753 0.194 27 H GLY 7 H GLY 7 0.292 -15.410 -0.340 28 HA2 GLY 7 1HA GLY 7 2.299 -14.860 -1.656 29 HA3 GLY 7 2HA GLY 7 1.215 -14.290 -2.915 30 H VAL 8 H VAL 8 1.683 -13.727 0.578 31 HA VAL 8 HA VAL 8 0.690 -11.120 0.611 32 HB VAL 8 HB VAL 8 2.804 -12.321 2.405 33 HG11 VAL 8 1HG1 VAL 8 2.770 -10.472 3.672 34 HG12 VAL 8 2HG1 VAL 8 2.134 -9.682 2.227 35 HG13 VAL 8 3HG1 VAL 8 1.031 -10.255 3.479 36 HG21 VAL 8 1HG2 VAL 8 1.185 -13.539 3.311 37 HG22 VAL 8 2HG2 VAL 8 0.242 -12.083 3.629 38 HG23 VAL 8 3HG2 VAL 8 0.058 -12.936 2.096 39 H CYS 9 H CYS 9 1.547 -9.140 0.237 40 HA CYS 9 HA CYS 9 4.399 -8.944 -0.414 41 HB2 CYS 9 1HB CYS 9 2.087 -8.245 -2.185 42 HB3 CYS 9 2HB CYS 9 3.569 -7.302 -2.289 43 HG CYS 9 HG CYS 9 3.191 -10.634 -2.943 44 H PHE 10 H PHE 10 5.350 -6.981 0.055 45 HA PHE 10 HA PHE 10 3.630 -5.034 1.447 46 HB2 PHE 10 1HB PHE 10 6.341 -6.114 2.131 47 HB3 PHE 10 2HB PHE 10 5.893 -4.493 2.654 48 HD1 PHE 10 2HD PHE 10 4.790 -8.036 2.783 49 HD2 PHE 10 1HD PHE 10 4.644 -4.183 4.588 50 HE1 PHE 10 2HE PHE 10 3.615 -8.992 4.722 51 HE2 PHE 10 1HE PHE 10 3.469 -5.134 6.530 52 HZ PHE 10 HZ PHE 10 2.952 -7.541 6.598 53 H VAL 11 H VAL 11 4.167 -2.821 1.253 54 HA VAL 11 HA VAL 11 6.074 -2.153 -0.883 55 HB VAL 11 HB VAL 11 4.514 -0.476 -1.775 56 HG11 VAL 11 1HG1 VAL 11 4.628 -2.728 -2.763 57 HG12 VAL 11 2HG1 VAL 11 3.312 -3.242 -1.706 58 HG13 VAL 11 3HG1 VAL 11 3.029 -2.005 -2.931 59 HG21 VAL 11 1HG2 VAL 11 2.304 -1.725 -0.189 60 HG22 VAL 11 2HG2 VAL 11 3.242 -0.390 0.480 61 HG23 VAL 11 3HG2 VAL 11 2.341 -0.170 -1.019 62 H LYS 12 H LYS 12 7.140 -0.208 -0.665 63 HA LYS 12 HA LYS 12 6.835 1.093 1.952 64 HB2 LYS 12 1HB LYS 12 9.042 0.180 1.592 65 HB3 LYS 12 2HB LYS 12 9.171 0.991 0.037 66 HG2 LYS 12 1HG LYS 12 9.192 3.153 1.141 67 HG3 LYS 12 2HG LYS 12 8.996 2.369 2.710 68 HD2 LYS 12 1HD LYS 12 11.153 1.600 2.748 69 HD3 LYS 12 2HD LYS 12 11.270 1.523 0.988 70 HE2 LYS 12 1HE LYS 12 12.606 3.332 1.393 71 HE3 LYS 12 2HE LYS 12 11.051 4.141 1.204 72 HZ1 LYS 12 1HZ LYS 12 10.807 4.212 3.585 73 HZ2 LYS 12 2HZ LYS 12 12.283 4.917 3.155 74 HZ3 LYS 12 3HZ LYS 12 12.250 3.356 3.805 75 H ALA 13 H ALA 13 6.033 3.082 2.058 76 HA ALA 13 HA ALA 13 5.173 4.484 -0.246 77 HB1 ALA 13 1HB ALA 13 4.918 6.375 1.572 78 HB2 ALA 13 2HB ALA 13 3.846 4.974 1.549 79 HB3 ALA 13 3HB ALA 13 5.201 5.030 2.677 80 H LEU 14 H LEU 14 6.850 5.001 -1.607 81 HA LEU 14 HA LEU 14 9.359 5.932 -1.003 82 HB2 LEU 14 1HB LEU 14 7.628 6.818 -3.307 83 HB3 LEU 14 2HB LEU 14 9.382 6.969 -3.217 84 HG LEU 14 HG LEU 14 7.967 4.312 -3.159 85 HD11 LEU 14 1HD1 LEU 14 7.509 5.689 -5.242 86 HD12 LEU 14 2HD1 LEU 14 8.235 4.100 -5.484 87 HD13 LEU 14 3HD1 LEU 14 9.233 5.551 -5.585 88 HD21 LEU 14 1HD2 LEU 14 10.194 3.514 -3.902 89 HD22 LEU 14 2HD2 LEU 14 10.212 4.248 -2.298 90 HD23 LEU 14 3HD2 LEU 14 10.814 5.152 -3.689 91 H TYR 15 H TYR 15 6.386 7.827 -1.362 92 HA TYR 15 HA TYR 15 7.785 10.094 -0.101 93 HB2 TYR 15 1HB TYR 15 5.434 10.366 -1.971 94 HB3 TYR 15 2HB TYR 15 6.519 11.630 -1.403 95 HD1 TYR 15 1HD TYR 15 6.308 8.639 -3.578 96 HD2 TYR 15 2HD TYR 15 8.516 12.132 -2.564 97 HE1 TYR 15 1HE TYR 15 7.704 8.330 -5.580 98 HE2 TYR 15 2HE TYR 15 9.917 11.834 -4.564 99 HH TYR 15 HH TYR 15 10.275 9.155 -6.174 100 H ASP 16 H ASP 16 6.177 11.651 0.945 101 HA ASP 16 HA ASP 16 4.538 10.104 2.764 102 HB2 ASP 16 1HB ASP 16 4.328 12.167 4.033 103 HB3 ASP 16 2HB ASP 16 6.015 11.908 3.598 104 H TYR 17 H TYR 17 2.475 9.688 2.380 105 HA TYR 17 HA TYR 17 0.985 11.430 0.550 106 HB2 TYR 17 1HB TYR 17 1.116 8.981 0.058 107 HB3 TYR 17 2HB TYR 17 0.232 8.677 1.550 108 HD1 TYR 17 2HD TYR 17 -0.198 11.105 -1.266 109 HD2 TYR 17 1HD TYR 17 -1.932 8.029 1.108 110 HE1 TYR 17 2HE TYR 17 -2.323 11.377 -2.476 111 HE2 TYR 17 1HE TYR 17 -4.061 8.291 -0.096 112 HH TYR 17 HH TYR 17 -4.909 9.137 -2.173 113 H GLU 18 H GLU 18 -0.596 12.708 1.258 114 HA GLU 18 HA GLU 18 -1.449 12.426 4.056 115 HB2 GLU 18 1HB GLU 18 -0.448 14.565 3.632 116 HB3 GLU 18 2HB GLU 18 -1.438 14.805 2.199 117 HG2 GLU 18 1HG GLU 18 -2.543 16.119 3.695 118 HG3 GLU 18 2HG GLU 18 -3.414 14.601 3.901 119 H GLY 19 H GLY 19 -3.042 10.844 3.681 120 HA2 GLY 19 1HA GLY 19 -5.001 10.746 1.780 121 HA3 GLY 19 2HA GLY 19 -5.254 10.241 3.444 122 H GLN 20 H GLN 20 -6.523 12.086 1.102 123 HA GLN 20 HA GLN 20 -7.090 14.557 2.253 124 HB2 GLN 20 1HB GLN 20 -8.703 12.870 0.339 125 HB3 GLN 20 2HB GLN 20 -9.131 14.520 0.770 126 HG2 GLN 20 1HG GLN 20 -6.766 13.539 -0.779 127 HG3 GLN 20 2HG GLN 20 -7.993 14.713 -1.251 128 HE21 GLN 20 1HE2 GLN 20 -5.101 14.168 0.591 129 HE22 GLN 20 2HE2 GLN 20 -4.725 15.830 0.878 130 H THR 21 H THR 21 -8.959 11.535 2.403 131 HA THR 21 HA THR 21 -10.343 12.623 4.768 132 HB THR 21 HB THR 21 -12.305 11.238 4.158 133 HG1 THR 21 1HG THR 21 -12.360 10.194 2.199 134 HG21 THR 21 1HG2 THR 21 -13.032 12.623 2.209 135 HG22 THR 21 2HG2 THR 21 -11.387 13.253 2.106 136 HG23 THR 21 3HG2 THR 21 -12.361 13.559 3.544 137 H ASP 22 H ASP 22 -11.413 10.722 6.031 138 HA ASP 22 HA ASP 22 -9.380 9.147 7.113 139 HB2 ASP 22 1HB ASP 22 -12.385 8.929 7.253 140 HB3 ASP 22 2HB ASP 22 -11.323 7.830 8.129 141 H ASP 23 H ASP 23 -11.974 8.246 4.855 142 HA ASP 23 HA ASP 23 -11.635 5.580 4.570 143 HB2 ASP 23 1HB ASP 23 -11.832 7.357 2.141 144 HB3 ASP 23 2HB ASP 23 -12.510 5.747 2.370 145 H GLU 24 H GLU 24 -9.568 8.077 3.149 146 HA GLU 24 HA GLU 24 -7.886 6.217 1.775 147 HB2 GLU 24 1HB GLU 24 -7.652 9.149 2.420 148 HB3 GLU 24 2HB GLU 24 -6.352 8.271 1.627 149 HG2 GLU 24 1HG GLU 24 -9.104 8.138 0.496 150 HG3 GLU 24 2HG GLU 24 -8.120 9.575 0.228 151 H LEU 25 H LEU 25 -5.363 6.637 2.248 152 HA LEU 25 HA LEU 25 -4.965 6.127 5.123 153 HB2 LEU 25 1HB LEU 25 -4.702 4.221 3.317 154 HB3 LEU 25 2HB LEU 25 -3.122 4.969 3.092 155 HG LEU 25 HG LEU 25 -2.780 4.645 5.590 156 HD11 LEU 25 1HD1 LEU 25 -5.260 4.223 5.964 157 HD12 LEU 25 2HD1 LEU 25 -4.133 3.135 6.773 158 HD13 LEU 25 3HD1 LEU 25 -4.971 2.609 5.313 159 HD21 LEU 25 1HD2 LEU 25 -1.968 2.429 5.300 160 HD22 LEU 25 2HD2 LEU 25 -1.783 3.256 3.753 161 HD23 LEU 25 3HD2 LEU 25 -3.107 2.114 3.991 162 H SER 26 H SER 26 -3.494 7.345 6.130 163 HA SER 26 HA SER 26 -1.788 9.079 4.471 164 HB2 SER 26 1HB SER 26 -2.679 9.543 7.326 165 HB3 SER 26 2HB SER 26 -1.806 10.677 6.295 166 HG SER 26 HG SER 26 -4.431 9.685 5.863 167 H PHE 27 H PHE 27 0.264 8.479 4.404 168 HA PHE 27 HA PHE 27 1.527 7.483 6.862 169 HB2 PHE 27 1HB PHE 27 2.915 6.052 5.088 170 HB3 PHE 27 2HB PHE 27 1.434 5.447 5.823 171 HD1 PHE 27 2HD PHE 27 2.715 7.229 2.828 172 HD2 PHE 27 1HD PHE 27 -0.357 4.798 4.495 173 HE1 PHE 27 2HE PHE 27 1.727 6.949 0.592 174 HE2 PHE 27 1HE PHE 27 -1.349 4.514 2.261 175 HZ PHE 27 HZ PHE 27 -0.308 5.591 0.306 176 HA PRO 28 HA PRO 28 4.621 10.480 5.973 177 HB2 PRO 28 1HB PRO 28 6.690 9.409 7.367 178 HB3 PRO 28 2HB PRO 28 5.311 10.195 8.145 179 HG2 PRO 28 1HG PRO 28 5.843 7.279 7.732 180 HG3 PRO 28 2HG PRO 28 5.220 8.110 9.170 181 HD2 PRO 28 1HD PRO 28 3.611 6.788 7.439 182 HD3 PRO 28 2HD PRO 28 3.079 8.231 8.326 183 H GLU 29 H GLU 29 6.833 10.688 5.076 184 HA GLU 29 HA GLU 29 7.130 9.103 2.745 185 HB2 GLU 29 1HB GLU 29 7.837 11.405 2.718 186 HB3 GLU 29 2HB GLU 29 8.962 11.124 4.039 187 HG2 GLU 29 1HG GLU 29 10.373 9.794 2.655 188 HG3 GLU 29 2HG GLU 29 9.187 9.797 1.351 189 H GLY 30 H GLY 30 7.564 6.980 3.059 190 HA2 GLY 30 1HA GLY 30 9.425 5.427 3.110 191 HA3 GLY 30 2HA GLY 30 10.096 6.360 4.440 192 H ALA 31 H ALA 31 6.798 5.145 3.944 193 HA ALA 31 HA ALA 31 7.076 3.663 6.476 194 HB1 ALA 31 1HB ALA 31 4.614 3.924 6.696 195 HB2 ALA 31 2HB ALA 31 5.497 5.451 6.727 196 HB3 ALA 31 3HB ALA 31 4.639 4.959 5.267 197 H ILE 32 H ILE 32 6.614 1.534 6.519 198 HA ILE 32 HA ILE 32 6.182 0.197 3.990 199 HB ILE 32 HB ILE 32 6.582 -0.920 6.768 200 HG12 ILE 32 1HG1 ILE 32 8.600 0.113 6.061 201 HG13 ILE 32 2HG1 ILE 32 8.808 -1.605 5.739 202 HG21 ILE 32 1HG2 ILE 32 5.268 -2.390 5.234 203 HG22 ILE 32 2HG2 ILE 32 6.658 -2.407 4.150 204 HG23 ILE 32 3HG2 ILE 32 6.798 -3.081 5.773 205 HD11 ILE 32 1HD1 ILE 32 8.149 0.541 3.738 206 HD12 ILE 32 2HD1 ILE 32 9.667 -0.343 3.897 207 HD13 ILE 32 3HD1 ILE 32 8.207 -1.185 3.379 208 H ILE 33 H ILE 33 4.370 -0.819 3.325 209 HA ILE 33 HA ILE 33 2.085 -0.904 5.183 210 HB ILE 33 HB ILE 33 1.988 -0.191 2.249 211 HG12 ILE 33 1HG1 ILE 33 1.029 1.563 4.480 212 HG13 ILE 33 2HG1 ILE 33 2.747 1.512 4.102 213 HG21 ILE 33 1HG2 ILE 33 -0.470 0.336 3.487 214 HG22 ILE 33 2HG2 ILE 33 -0.114 -0.905 2.287 215 HG23 ILE 33 3HG2 ILE 33 -0.002 -1.283 4.006 216 HD11 ILE 33 1HD1 ILE 33 2.373 2.329 1.912 217 HD12 ILE 33 2HD1 ILE 33 0.628 2.118 2.062 218 HD13 ILE 33 3HD1 ILE 33 1.452 3.353 3.013 219 H ARG 34 H ARG 34 0.748 -2.678 5.065 220 HA ARG 34 HA ARG 34 1.840 -4.961 3.605 221 HB2 ARG 34 1HB ARG 34 1.465 -5.323 5.963 222 HB3 ARG 34 2HB ARG 34 -0.200 -4.775 5.824 223 HG2 ARG 34 1HG ARG 34 -0.677 -6.708 4.362 224 HG3 ARG 34 2HG ARG 34 0.974 -7.274 4.627 225 HD2 ARG 34 1HD ARG 34 0.561 -7.508 6.991 226 HD3 ARG 34 2HD ARG 34 -1.044 -6.799 6.816 227 HE ARG 34 HE ARG 34 -0.732 -9.112 5.185 228 HH11 ARG 34 2HH1 ARG 34 -1.314 -8.061 8.453 229 HH12 ARG 34 1HH1 ARG 34 -2.162 -9.503 8.904 230 HH21 ARG 34 2HH2 ARG 34 -1.847 -11.015 5.767 231 HH22 ARG 34 1HH2 ARG 34 -2.464 -11.183 7.376 232 H ILE 35 H ILE 35 1.097 -4.980 1.559 233 HA ILE 35 HA ILE 35 -1.411 -4.047 0.708 234 HB ILE 35 HB ILE 35 0.377 -6.089 -0.618 235 HG12 ILE 35 1HG1 ILE 35 1.515 -3.959 -0.227 236 HG13 ILE 35 2HG1 ILE 35 1.184 -4.173 -1.943 237 HG21 ILE 35 1HG2 ILE 35 -0.933 -6.038 -2.462 238 HG22 ILE 35 2HG2 ILE 35 -2.182 -5.668 -1.274 239 HG23 ILE 35 3HG2 ILE 35 -1.431 -4.367 -2.197 240 HD11 ILE 35 1HD1 ILE 35 -1.030 -2.816 -0.987 241 HD12 ILE 35 2HD1 ILE 35 0.336 -2.086 -0.144 242 HD13 ILE 35 3HD1 ILE 35 0.314 -2.139 -1.906 243 H LEU 36 H LEU 36 -3.183 -4.854 1.711 244 HA LEU 36 HA LEU 36 -3.499 -7.640 2.299 245 HB2 LEU 36 1HB LEU 36 -5.557 -5.438 2.295 246 HB3 LEU 36 2HB LEU 36 -5.734 -7.027 3.035 247 HG LEU 36 HG LEU 36 -3.618 -5.080 3.914 248 HD11 LEU 36 1HD1 LEU 36 -5.419 -3.780 4.430 249 HD12 LEU 36 2HD1 LEU 36 -5.380 -4.814 5.859 250 HD13 LEU 36 3HD1 LEU 36 -6.518 -5.154 4.556 251 HD21 LEU 36 1HD2 LEU 36 -3.182 -7.282 4.664 252 HD22 LEU 36 2HD2 LEU 36 -4.872 -7.549 5.091 253 HD23 LEU 36 3HD2 LEU 36 -3.891 -6.424 6.032 254 H ASN 37 H ASN 37 -4.937 -5.405 -0.060 255 HA ASN 37 HA ASN 37 -5.776 -7.755 -1.629 256 HB2 ASN 37 1HB ASN 37 -7.208 -5.160 -1.111 257 HB3 ASN 37 2HB ASN 37 -7.569 -6.124 -2.540 258 HD21 ASN 37 1HD2 ASN 37 -9.352 -5.494 -0.413 259 HD22 ASN 37 2HD2 ASN 37 -9.825 -6.985 0.322 260 H LYS 38 H LYS 38 -5.525 -7.660 -3.861 261 HA LYS 38 HA LYS 38 -4.027 -5.350 -4.902 262 HB2 LYS 38 1HB LYS 38 -3.387 -8.273 -5.123 263 HB3 LYS 38 2HB LYS 38 -2.869 -7.157 -6.380 264 HG2 LYS 38 1HG LYS 38 -1.901 -5.804 -4.362 265 HG3 LYS 38 2HG LYS 38 -1.981 -7.368 -3.546 266 HD2 LYS 38 1HD LYS 38 -0.484 -8.357 -5.052 267 HD3 LYS 38 2HD LYS 38 -0.697 -7.072 -6.244 268 HE2 LYS 38 1HE LYS 38 0.468 -5.508 -4.806 269 HE3 LYS 38 2HE LYS 38 0.603 -6.730 -3.543 270 HZ1 LYS 38 1HZ LYS 38 1.778 -8.042 -5.465 271 HZ2 LYS 38 2HZ LYS 38 2.632 -6.927 -4.522 272 HZ3 LYS 38 3HZ LYS 38 2.079 -6.487 -6.059 273 H GLU 39 H GLU 39 -5.955 -8.213 -5.729 274 HA GLU 39 HA GLU 39 -6.436 -7.543 -8.413 275 HB2 GLU 39 1HB GLU 39 -7.944 -9.243 -6.437 276 HB3 GLU 39 2HB GLU 39 -8.496 -9.035 -8.093 277 HG2 GLU 39 1HG GLU 39 -6.779 -10.256 -8.971 278 HG3 GLU 39 2HG GLU 39 -5.686 -9.885 -7.638 279 H ASN 40 H ASN 40 -6.932 -5.337 -8.527 280 HA ASN 40 HA ASN 40 -9.174 -4.241 -7.105 281 HB2 ASN 40 1HB ASN 40 -8.730 -2.206 -8.401 282 HB3 ASN 40 2HB ASN 40 -7.245 -2.841 -7.699 283 HD21 ASN 40 1HD2 ASN 40 -7.295 -1.064 -9.837 284 HD22 ASN 40 2HD2 ASN 40 -6.679 -1.865 -11.238 285 H GLN 41 H GLN 41 -11.152 -3.562 -7.973 286 HA GLN 41 HA GLN 41 -12.061 -5.176 -10.218 287 HB2 GLN 41 1HB GLN 41 -13.382 -3.678 -8.004 288 HB3 GLN 41 2HB GLN 41 -14.299 -3.955 -9.479 289 HG2 GLN 41 1HG GLN 41 -13.798 -6.388 -9.239 290 HG3 GLN 41 2HG GLN 41 -13.090 -6.026 -7.666 291 HE21 GLN 41 1HE2 GLN 41 -14.434 -5.327 -5.984 292 HE22 GLN 41 2HE2 GLN 41 -16.141 -5.591 -6.019 293 H ASP 42 H ASP 42 -12.441 -1.768 -9.226 294 HA ASP 42 HA ASP 42 -13.159 -0.954 -11.880 295 HB2 ASP 42 1HB ASP 42 -12.560 0.568 -9.345 296 HB3 ASP 42 2HB ASP 42 -12.943 1.374 -10.864 297 H ASP 43 H ASP 43 -11.984 0.783 -13.038 298 HA ASP 43 HA ASP 43 -9.175 0.088 -13.224 299 HB2 ASP 43 1HB ASP 43 -10.701 2.095 -14.888 300 HB3 ASP 43 2HB ASP 43 -9.169 1.322 -15.284 301 H ASP 44 H ASP 44 -9.976 1.472 -10.849 302 HA ASP 44 HA ASP 44 -9.246 4.231 -11.063 303 HB2 ASP 44 1HB ASP 44 -9.857 2.356 -8.814 304 HB3 ASP 44 2HB ASP 44 -9.055 3.883 -8.456 305 H GLY 45 H GLY 45 -7.652 1.399 -9.585 306 HA2 GLY 45 1HA GLY 45 -5.330 0.931 -9.915 307 HA3 GLY 45 2HA GLY 45 -5.064 2.640 -10.222 308 H PHE 46 H PHE 46 -6.850 1.181 -7.541 309 HA PHE 46 HA PHE 46 -4.770 2.174 -5.709 310 HB2 PHE 46 1HB PHE 46 -7.769 2.421 -5.438 311 HB3 PHE 46 2HB PHE 46 -6.652 2.690 -4.104 312 HD1 PHE 46 2HD PHE 46 -6.875 3.735 -7.684 313 HD2 PHE 46 1HD PHE 46 -6.282 4.894 -3.632 314 HE1 PHE 46 2HE PHE 46 -6.596 6.072 -8.397 315 HE2 PHE 46 1HE PHE 46 -6.002 7.234 -4.338 316 HZ PHE 46 HZ PHE 46 -6.158 7.826 -6.724 317 H TRP 47 H TRP 47 -4.421 0.980 -3.826 318 HA TRP 47 HA TRP 47 -5.672 -1.690 -3.808 319 HB2 TRP 47 1HB TRP 47 -2.842 -0.862 -3.165 320 HB3 TRP 47 2HB TRP 47 -3.505 -2.425 -2.695 321 HD1 TRP 47 HD TRP 47 -5.157 -2.762 -5.540 322 HE1 TRP 47 1HE TRP 47 -3.799 -3.499 -7.599 323 HE3 TRP 47 3HE TRP 47 -0.480 -1.459 -3.938 324 HZ2 TRP 47 2HZ TRP 47 -1.103 -3.525 -8.433 325 HZ3 TRP 47 3HZ TRP 47 1.435 -1.874 -5.426 326 HH2 TRP 47 HH TRP 47 1.128 -2.886 -7.627 327 H GLU 48 H GLU 48 -5.713 -2.747 -1.661 328 HA GLU 48 HA GLU 48 -6.227 -0.756 0.447 329 HB2 GLU 48 1HB GLU 48 -8.179 -2.113 -0.379 330 HB3 GLU 48 2HB GLU 48 -7.375 -3.542 0.255 331 HG2 GLU 48 1HG GLU 48 -7.659 -2.884 2.460 332 HG3 GLU 48 2HG GLU 48 -7.923 -1.196 2.024 333 H GLY 49 H GLY 49 -4.953 -0.774 2.177 334 HA2 GLY 49 1HA GLY 49 -3.712 -3.288 3.028 335 HA3 GLY 49 2HA GLY 49 -2.650 -1.943 2.640 336 H GLU 50 H GLU 50 -2.658 -3.126 5.148 337 HA GLU 50 HA GLU 50 -4.042 -1.150 6.833 338 HB2 GLU 50 1HB GLU 50 -4.558 -3.559 7.239 339 HB3 GLU 50 2HB GLU 50 -2.870 -3.809 7.662 340 HG2 GLU 50 1HG GLU 50 -3.270 -1.945 9.401 341 HG3 GLU 50 2HG GLU 50 -4.978 -2.292 9.138 342 H PHE 51 H PHE 51 -2.909 0.235 8.059 343 HA PHE 51 HA PHE 51 -0.068 -0.253 8.541 344 HB2 PHE 51 1HB PHE 51 0.054 1.059 6.557 345 HB3 PHE 51 2HB PHE 51 -1.194 2.162 7.127 346 HD1 PHE 51 2HD PHE 51 2.104 0.885 8.329 347 HD2 PHE 51 1HD PHE 51 -0.463 4.232 7.761 348 HE1 PHE 51 2HE PHE 51 3.841 2.368 9.243 349 HE2 PHE 51 1HE PHE 51 1.270 5.721 8.673 350 HZ PHE 51 HZ PHE 51 3.426 4.789 9.417 351 H ASN 52 H ASN 52 0.280 -0.005 10.637 352 HA ASN 52 HA ASN 52 0.122 0.698 12.794 353 HB2 ASN 52 1HB ASN 52 0.621 2.901 11.490 354 HB3 ASN 52 2HB ASN 52 -1.057 3.293 11.853 355 HD21 ASN 52 1HD2 ASN 52 2.082 3.458 12.931 356 HD22 ASN 52 2HD2 ASN 52 1.778 3.836 14.590 357 H GLY 53 H GLY 53 -2.019 -0.820 11.860 358 HA2 GLY 53 1HA GLY 53 -4.105 -1.485 12.555 359 HA3 GLY 53 2HA GLY 53 -3.963 -0.302 13.847 360 H ARG 54 H ARG 54 -3.909 0.323 10.370 361 HA ARG 54 HA ARG 54 -6.579 1.508 10.531 362 HB2 ARG 54 1HB ARG 54 -4.056 2.959 9.760 363 HB3 ARG 54 2HB ARG 54 -5.637 3.496 9.208 364 HG2 ARG 54 1HG ARG 54 -6.232 3.406 11.749 365 HG3 ARG 54 2HG ARG 54 -4.482 3.510 11.952 366 HD2 ARG 54 1HD ARG 54 -4.439 5.552 10.622 367 HD3 ARG 54 2HD ARG 54 -6.181 5.437 10.372 368 HE ARG 54 HE ARG 54 -5.937 5.466 13.068 369 HH11 ARG 54 2HH1 ARG 54 -4.741 7.523 10.526 370 HH12 ARG 54 1HH1 ARG 54 -4.745 8.953 11.503 371 HH21 ARG 54 2HH2 ARG 54 -5.946 7.343 14.365 372 HH22 ARG 54 1HH2 ARG 54 -5.430 8.850 13.687 373 H ILE 55 H ILE 55 -7.773 1.085 8.781 374 HA ILE 55 HA ILE 55 -6.411 -0.070 6.444 375 HB ILE 55 HB ILE 55 -9.290 -0.377 7.305 376 HG12 ILE 55 1HG1 ILE 55 -7.096 -2.455 7.288 377 HG13 ILE 55 2HG1 ILE 55 -7.536 -1.527 8.719 378 HG21 ILE 55 1HG2 ILE 55 -8.364 -0.543 4.770 379 HG22 ILE 55 2HG2 ILE 55 -8.135 -2.204 5.314 380 HG23 ILE 55 3HG2 ILE 55 -9.735 -1.465 5.387 381 HD11 ILE 55 1HD1 ILE 55 -9.616 -3.074 7.243 382 HD12 ILE 55 2HD1 ILE 55 -8.526 -3.885 8.369 383 HD13 ILE 55 3HD1 ILE 55 -9.571 -2.583 8.936 384 H GLY 56 H GLY 56 -6.240 1.211 4.734 385 HA2 GLY 56 1HA GLY 56 -8.504 2.945 4.034 386 HA3 GLY 56 2HA GLY 56 -6.911 3.670 4.195 387 H VAL 57 H VAL 57 -7.569 4.247 1.897 388 HA VAL 57 HA VAL 57 -6.633 2.121 0.080 389 HB VAL 57 HB VAL 57 -8.028 3.079 -1.688 390 HG11 VAL 57 1HG1 VAL 57 -9.794 1.827 -1.095 391 HG12 VAL 57 2HG1 VAL 57 -8.851 1.477 0.355 392 HG13 VAL 57 3HG1 VAL 57 -10.075 2.747 0.382 393 HG21 VAL 57 1HG2 VAL 57 -8.149 5.299 0.018 394 HG22 VAL 57 2HG2 VAL 57 -8.932 5.106 -1.550 395 HG23 VAL 57 3HG2 VAL 57 -9.794 4.669 -0.075 396 H PHE 58 H PHE 58 -5.104 2.648 -1.414 397 HA PHE 58 HA PHE 58 -4.217 5.451 -1.519 398 HB2 PHE 58 1HB PHE 58 -1.850 4.390 -1.771 399 HB3 PHE 58 2HB PHE 58 -2.551 4.554 -0.164 400 HD1 PHE 58 2HD PHE 58 -4.045 2.441 0.536 401 HD2 PHE 58 1HD PHE 58 -0.845 2.399 -2.270 402 HE1 PHE 58 2HE PHE 58 -3.754 0.026 0.908 403 HE2 PHE 58 1HE PHE 58 -0.549 -0.016 -1.903 404 HZ PHE 58 HZ PHE 58 -2.004 -1.205 -0.311 405 HA PRO 59 HA PRO 59 -4.146 5.061 -5.888 406 HB2 PRO 59 1HB PRO 59 -2.001 6.585 -6.557 407 HB3 PRO 59 2HB PRO 59 -3.521 7.270 -5.971 408 HG2 PRO 59 1HG PRO 59 -0.981 6.744 -4.478 409 HG3 PRO 59 2HG PRO 59 -2.047 8.160 -4.409 410 HD2 PRO 59 1HD PRO 59 -2.092 6.208 -2.532 411 HD3 PRO 59 2HD PRO 59 -3.542 7.121 -2.996 412 H SER 60 H SER 60 -1.938 3.530 -3.997 413 HA SER 60 HA SER 60 -0.181 2.095 -4.341 414 HB2 SER 60 1HB SER 60 -1.815 1.338 -6.773 415 HB3 SER 60 2HB SER 60 -0.701 0.306 -5.875 416 HG SER 60 HG SER 60 -2.349 1.120 -4.078 417 H VAL 61 H VAL 61 0.383 4.644 -5.365 418 HA VAL 61 HA VAL 61 2.120 3.933 -7.634 419 HB VAL 61 HB VAL 61 1.831 6.251 -8.500 420 HG11 VAL 61 1HG1 VAL 61 -0.165 4.118 -8.531 421 HG12 VAL 61 2HG1 VAL 61 -0.808 5.700 -8.976 422 HG13 VAL 61 3HG1 VAL 61 0.555 5.018 -9.866 423 HG21 VAL 61 1HG2 VAL 61 -0.046 6.375 -6.196 424 HG22 VAL 61 2HG2 VAL 61 1.045 7.606 -6.831 425 HG23 VAL 61 3HG2 VAL 61 -0.466 7.250 -7.668 426 H LEU 62 H LEU 62 1.617 5.769 -4.711 427 HA LEU 62 HA LEU 62 4.264 6.967 -4.839 428 HB2 LEU 62 1HB LEU 62 2.111 7.112 -2.734 429 HB3 LEU 62 2HB LEU 62 3.632 8.002 -2.686 430 HG LEU 62 HG LEU 62 1.599 8.339 -4.882 431 HD11 LEU 62 1HD1 LEU 62 0.921 10.395 -3.705 432 HD12 LEU 62 2HD1 LEU 62 1.914 9.913 -2.330 433 HD13 LEU 62 3HD1 LEU 62 0.525 8.932 -2.801 434 HD21 LEU 62 1HD2 LEU 62 3.333 10.564 -4.198 435 HD22 LEU 62 2HD2 LEU 62 3.018 9.814 -5.763 436 HD23 LEU 62 3HD2 LEU 62 4.238 9.131 -4.686 437 H VAL 63 H VAL 63 3.882 4.034 -4.622 438 HA VAL 63 HA VAL 63 5.534 3.635 -2.224 439 HB VAL 63 HB VAL 63 4.432 1.524 -1.737 440 HG11 VAL 63 1HG1 VAL 63 2.919 4.065 -1.766 441 HG12 VAL 63 2HG1 VAL 63 2.010 2.598 -1.397 442 HG13 VAL 63 3HG1 VAL 63 3.401 3.047 -0.410 443 HG21 VAL 63 1HG2 VAL 63 3.133 2.056 -4.318 444 HG22 VAL 63 2HG2 VAL 63 3.505 0.523 -3.528 445 HG23 VAL 63 3HG2 VAL 63 2.067 1.430 -3.060 446 H GLU 64 H GLU 64 6.413 1.230 -2.333 447 HA GLU 64 HA GLU 64 7.065 0.436 -5.057 448 HB2 GLU 64 1HB GLU 64 9.414 0.592 -4.825 449 HB3 GLU 64 2HB GLU 64 8.778 2.136 -4.276 450 HG2 GLU 64 1HG GLU 64 9.188 1.636 -2.027 451 HG3 GLU 64 2HG GLU 64 9.402 -0.082 -2.361 452 H GLU 65 H GLU 65 7.475 -1.718 -5.269 453 HA GLU 65 HA GLU 65 6.670 -3.444 -3.180 454 HB2 GLU 65 1HB GLU 65 7.817 -3.820 -5.914 455 HB3 GLU 65 2HB GLU 65 7.774 -5.194 -4.819 456 HG2 GLU 65 1HG GLU 65 5.792 -5.446 -5.929 457 HG3 GLU 65 2HG GLU 65 5.275 -4.522 -4.520 458 H LEU 66 H LEU 66 7.786 -4.451 -1.626 459 HA LEU 66 HA LEU 66 10.583 -3.813 -1.289 460 HB2 LEU 66 1HB LEU 66 8.634 -5.383 0.387 461 HB3 LEU 66 2HB LEU 66 10.317 -5.115 0.837 462 HG LEU 66 HG LEU 66 8.422 -2.834 0.343 463 HD11 LEU 66 1HD1 LEU 66 7.468 -3.015 2.356 464 HD12 LEU 66 2HD1 LEU 66 8.969 -3.522 3.130 465 HD13 LEU 66 3HD1 LEU 66 7.972 -4.703 2.282 466 HD21 LEU 66 1HD2 LEU 66 10.049 -1.503 1.199 467 HD22 LEU 66 2HD2 LEU 66 11.077 -2.785 0.558 468 HD23 LEU 66 3HD2 LEU 66 10.668 -2.757 2.274 469 H SER 67 H SER 67 8.633 -6.749 -1.719 470 HA SER 67 HA SER 67 9.159 -8.823 -2.492 471 HB2 SER 67 1HB SER 67 10.193 -7.541 -4.362 472 HB3 SER 67 2HB SER 67 11.719 -7.541 -3.478 473 HG SER 67 HG SER 67 10.929 -9.356 -5.131 474 H SER 68 H SER 68 9.683 -8.297 0.175 475 HA SER 68 HA SER 68 12.292 -9.479 0.754 476 HB2 SER 68 1HB SER 68 11.869 -8.867 3.068 477 HB3 SER 68 2HB SER 68 11.542 -7.478 2.032 478 HG SER 68 HG SER 68 9.464 -9.241 2.727 479 H GLY 69 H GLY 69 12.550 -11.556 1.262 480 HA2 GLY 69 1HA GLY 69 11.462 -13.313 2.804 481 HA3 GLY 69 2HA GLY 69 10.128 -13.178 1.668 482 HA PRO 70 HA PRO 70 13.556 -16.229 0.289 483 HB2 PRO 70 1HB PRO 70 12.483 -18.559 1.179 484 HB3 PRO 70 2HB PRO 70 13.619 -17.597 2.134 485 HG2 PRO 70 1HG PRO 70 10.633 -17.723 2.305 486 HG3 PRO 70 2HG PRO 70 11.828 -17.698 3.614 487 HD2 PRO 70 1HD PRO 70 10.449 -15.494 2.858 488 HD3 PRO 70 2HD PRO 70 12.108 -15.413 3.484 489 H SER 71 H SER 71 12.972 -16.013 -1.825 490 HA SER 71 HA SER 71 11.274 -17.956 -2.979 491 HB2 SER 71 1HB SER 71 9.683 -16.111 -1.998 492 HB3 SER 71 2HB SER 71 10.176 -15.202 -3.426 493 HG SER 71 HG SER 71 8.261 -16.531 -3.692 494 H SER 72 H SER 72 10.991 -17.550 -5.382 495 HA SER 72 HA SER 72 13.397 -16.188 -6.396 496 HB2 SER 72 1HB SER 72 13.470 -17.783 -8.184 497 HB3 SER 72 2HB SER 72 13.249 -18.693 -6.690 498 HG SER 72 HG SER 72 11.826 -19.046 -8.714 499 H GLY 73 H GLY 73 13.239 -14.725 -8.031 500 HA2 GLY 73 1HA GLY 73 12.242 -13.516 -9.761 501 HA3 GLY 73 2HA GLY 73 10.758 -14.423 -9.508
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