NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14143 | 1wfq | 10054 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 13.115 -8.524 33.285 2 HA2 GLY 1 1HA GLY 1 14.168 -9.253 31.248 3 HA3 GLY 1 2HA GLY 1 12.708 -8.801 30.381 4 H SER 2 H SER 2 12.630 -6.860 29.427 5 HA SER 2 HA SER 2 14.177 -4.628 30.386 6 HB2 SER 2 1HB SER 2 15.017 -6.193 27.981 7 HB3 SER 2 2HB SER 2 15.203 -4.439 27.954 8 HG SER 2 HG SER 2 17.006 -5.801 28.818 9 H SER 3 H SER 3 13.999 -2.771 28.672 10 HA SER 3 HA SER 3 11.236 -2.804 27.647 11 HB2 SER 3 1HB SER 3 11.208 -0.361 28.035 12 HB3 SER 3 2HB SER 3 11.499 -1.258 29.525 13 HG SER 3 HG SER 3 12.967 0.659 28.547 14 H GLY 4 H GLY 4 10.910 -1.067 25.895 15 HA2 GLY 4 1HA GLY 4 12.572 0.141 24.249 16 HA3 GLY 4 2HA GLY 4 12.975 -1.528 23.873 17 H SER 5 H SER 5 11.955 0.340 22.011 18 HA SER 5 HA SER 5 9.299 -0.817 21.467 19 HB2 SER 5 1HB SER 5 10.363 1.925 20.754 20 HB3 SER 5 2HB SER 5 8.833 1.272 20.170 21 HG SER 5 HG SER 5 8.583 0.927 22.651 22 H SER 6 H SER 6 10.341 -2.569 20.372 23 HA SER 6 HA SER 6 11.319 -3.653 18.609 24 HB2 SER 6 1HB SER 6 10.364 -3.100 16.464 25 HB3 SER 6 2HB SER 6 9.121 -2.861 17.691 26 HG SER 6 HG SER 6 9.236 -1.117 16.201 27 H GLY 7 H GLY 7 13.138 -1.966 19.812 28 HA2 GLY 7 1HA GLY 7 15.071 -0.755 19.464 29 HA3 GLY 7 2HA GLY 7 15.237 -1.831 18.084 30 H GLY 8 H GLY 8 15.430 -0.885 16.168 31 HA2 GLY 8 1HA GLY 8 13.950 1.554 15.584 32 HA3 GLY 8 2HA GLY 8 15.702 1.700 15.574 33 H TYR 9 H TYR 9 12.950 0.125 14.050 34 HA TYR 9 HA TYR 9 13.992 -1.457 12.147 35 HB2 TYR 9 1HB TYR 9 12.199 -0.429 10.571 36 HB3 TYR 9 2HB TYR 9 11.676 -1.227 12.050 37 HD1 TYR 9 2HD TYR 9 12.397 2.113 10.590 38 HD2 TYR 9 1HD TYR 9 10.385 -0.076 13.634 39 HE1 TYR 9 2HE TYR 9 11.204 4.156 11.262 40 HE2 TYR 9 1HE TYR 9 9.185 1.961 14.313 41 HH TYR 9 HH TYR 9 8.938 4.651 12.465 42 HA PRO 10 HA PRO 10 13.450 -1.754 9.800 43 HB2 PRO 10 2HB PRO 10 14.187 -1.605 7.630 44 HB3 PRO 10 1HB PRO 10 15.318 -2.853 8.166 45 HG2 PRO 10 1HG PRO 10 17.044 -1.333 8.481 46 HG3 PRO 10 2HG PRO 10 16.206 -0.571 7.117 47 HD2 PRO 10 1HD PRO 10 16.689 0.731 9.441 48 HD3 PRO 10 2HD PRO 10 15.254 1.054 8.447 49 H ASN 11 H ASN 11 13.607 -3.883 10.493 50 HA ASN 11 HA ASN 11 15.870 -4.442 12.285 51 HB2 ASN 11 1HB ASN 11 14.355 -6.032 13.415 52 HB3 ASN 11 2HB ASN 11 13.703 -4.396 13.408 53 HD21 ASN 11 2HD2 ASN 11 11.857 -7.395 11.374 54 HD22 ASN 11 1HD2 ASN 11 13.465 -7.577 11.980 55 H GLY 12 H GLY 12 16.573 -6.707 12.447 56 HA2 GLY 12 1HA GLY 12 17.348 -8.657 11.514 57 HA3 GLY 12 2HA GLY 12 15.888 -8.663 10.537 58 H THR 13 H THR 13 18.412 -9.547 9.639 59 HA THR 13 HA THR 13 20.026 -7.825 8.271 60 HB THR 13 HB THR 13 19.033 -10.497 7.258 61 HG1 THR 13 1HG THR 13 20.320 -11.287 8.731 62 HG21 THR 13 3HG2 THR 13 21.255 -10.494 6.061 63 HG22 THR 13 1HG2 THR 13 21.371 -8.777 6.445 64 HG23 THR 13 2HG2 THR 13 20.055 -9.366 5.430 65 H SER 14 H SER 14 17.109 -9.359 6.897 66 HA SER 14 HA SER 14 17.159 -7.720 4.558 67 HB2 SER 14 1HB SER 14 15.007 -9.520 5.693 68 HB3 SER 14 2HB SER 14 14.913 -8.731 4.119 69 HG SER 14 HG SER 14 16.458 -10.885 4.944 70 H ALA 15 H ALA 15 16.709 -5.625 4.586 71 HA ALA 15 HA ALA 15 15.092 -4.444 6.659 72 HB1 ALA 15 3HB ALA 15 15.635 -2.327 5.617 73 HB2 ALA 15 1HB ALA 15 17.090 -3.312 5.773 74 HB3 ALA 15 2HB ALA 15 16.291 -3.159 4.208 75 H ALA 16 H ALA 16 13.520 -2.620 5.764 76 HA ALA 16 HA ALA 16 11.618 -4.015 4.006 77 HB1 ALA 16 3HB ALA 16 10.483 -3.679 5.981 78 HB2 ALA 16 1HB ALA 16 11.273 -2.135 6.298 79 HB3 ALA 16 2HB ALA 16 10.018 -2.246 5.064 80 H LEU 17 H LEU 17 11.365 -3.257 2.018 81 HA LEU 17 HA LEU 17 12.215 -0.507 1.434 82 HB2 LEU 17 1HB LEU 17 13.390 -2.115 0.127 83 HB3 LEU 17 2HB LEU 17 11.895 -2.939 -0.310 84 HG LEU 17 HG LEU 17 13.075 -1.463 -2.066 85 HD11 LEU 17 1HD1 LEU 17 11.094 -1.278 -3.185 86 HD12 LEU 17 2HD1 LEU 17 10.217 -0.701 -1.769 87 HD13 LEU 17 3HD1 LEU 17 10.620 -2.411 -1.919 88 HD21 LEU 17 3HD2 LEU 17 13.009 0.790 -1.905 89 HD22 LEU 17 1HD2 LEU 17 12.986 0.442 -0.176 90 HD23 LEU 17 2HD2 LEU 17 11.480 0.793 -1.024 91 H ARG 18 H ARG 18 10.729 0.986 1.036 92 HA ARG 18 HA ARG 18 7.957 0.166 0.647 93 HB2 ARG 18 1HB ARG 18 9.114 2.927 1.078 94 HB3 ARG 18 2HB ARG 18 7.407 2.506 1.088 95 HG2 ARG 18 1HG ARG 18 9.425 1.400 3.027 96 HG3 ARG 18 2HG ARG 18 8.408 2.808 3.342 97 HD2 ARG 18 1HD ARG 18 7.134 0.257 2.468 98 HD3 ARG 18 2HD ARG 18 7.683 0.413 4.136 99 HE ARG 18 HE ARG 18 6.023 2.579 3.181 100 HH11 ARG 18 2HH1 ARG 18 6.142 -0.504 4.793 101 HH12 ARG 18 1HH1 ARG 18 4.622 -0.289 5.597 102 HH21 ARG 18 1HH2 ARG 18 3.416 1.632 5.277 103 HH22 ARG 18 2HH2 ARG 18 4.021 2.874 4.233 104 H GLU 19 H GLU 19 6.849 0.402 -1.206 105 HA GLU 19 HA GLU 19 8.290 1.555 -3.495 106 HB2 GLU 19 1HB GLU 19 5.954 -0.364 -3.503 107 HB3 GLU 19 2HB GLU 19 6.858 0.180 -4.909 108 HG2 GLU 19 1HG GLU 19 8.886 -0.824 -3.544 109 HG3 GLU 19 2HG GLU 19 7.599 -1.785 -2.818 110 H THR 20 H THR 20 7.127 2.828 -5.032 111 HA THR 20 HA THR 20 4.655 4.043 -3.992 112 HB THR 20 HB THR 20 5.371 6.242 -4.610 113 HG1 THR 20 1HG THR 20 7.617 4.902 -5.725 114 HG21 THR 20 3HG2 THR 20 7.564 4.798 -3.119 115 HG22 THR 20 1HG2 THR 20 6.127 5.542 -2.419 116 HG23 THR 20 2HG2 THR 20 7.365 6.549 -3.170 117 H GLY 21 H GLY 21 3.079 4.468 -5.469 118 HA2 GLY 21 1HA GLY 21 3.707 4.322 -8.319 119 HA3 GLY 21 2HA GLY 21 2.606 3.107 -7.686 120 H VAL 22 H VAL 22 0.578 3.580 -8.172 121 HA VAL 22 HA VAL 22 -0.535 6.145 -7.468 122 HB VAL 22 HB VAL 22 0.456 6.339 -9.851 123 HG11 VAL 22 1HG1 VAL 22 -1.103 4.087 -10.255 124 HG12 VAL 22 2HG1 VAL 22 -2.022 5.387 -11.017 125 HG13 VAL 22 3HG1 VAL 22 -0.354 5.081 -11.503 126 HG21 VAL 22 3HG2 VAL 22 -2.344 7.094 -9.069 127 HG22 VAL 22 1HG2 VAL 22 -0.889 8.090 -9.060 128 HG23 VAL 22 2HG2 VAL 22 -1.626 7.619 -10.591 129 H ILE 23 H ILE 23 -2.818 6.151 -7.422 130 HA ILE 23 HA ILE 23 -3.966 3.547 -7.001 131 HB ILE 23 HB ILE 23 -5.216 6.293 -6.862 132 HG12 ILE 23 1HG1 ILE 23 -3.365 5.576 -5.205 133 HG13 ILE 23 2HG1 ILE 23 -4.862 6.229 -4.547 134 HG21 ILE 23 1HG2 ILE 23 -6.837 4.477 -7.356 135 HG22 ILE 23 2HG2 ILE 23 -6.335 3.678 -5.866 136 HG23 ILE 23 3HG2 ILE 23 -7.108 5.262 -5.801 137 HD11 ILE 23 3HD1 ILE 23 -3.945 4.214 -3.379 138 HD12 ILE 23 1HD1 ILE 23 -5.620 4.080 -3.915 139 HD13 ILE 23 2HD1 ILE 23 -4.335 3.286 -4.828 140 H GLU 24 H GLU 24 -4.092 2.511 -8.974 141 HA GLU 24 HA GLU 24 -5.157 3.708 -11.319 142 HB2 GLU 24 1HB GLU 24 -3.652 1.600 -11.051 143 HB3 GLU 24 2HB GLU 24 -5.173 0.747 -10.834 144 HG2 GLU 24 1HG GLU 24 -5.855 1.130 -13.001 145 HG3 GLU 24 2HG GLU 24 -4.799 2.528 -13.196 146 H LYS 25 H LYS 25 -6.518 1.454 -8.931 147 HA LYS 25 HA LYS 25 -9.197 2.363 -9.715 148 HB2 LYS 25 1HB LYS 25 -8.357 -0.015 -10.584 149 HB3 LYS 25 2HB LYS 25 -8.867 -0.502 -8.972 150 HG2 LYS 25 1HG LYS 25 -10.759 1.134 -10.558 151 HG3 LYS 25 2HG LYS 25 -10.502 -0.539 -11.060 152 HD2 LYS 25 1HD LYS 25 -11.244 -1.383 -8.990 153 HD3 LYS 25 2HD LYS 25 -11.122 0.196 -8.212 154 HE2 LYS 25 1HE LYS 25 -12.989 -0.259 -10.513 155 HE3 LYS 25 2HE LYS 25 -13.455 -0.687 -8.867 156 HZ1 LYS 25 3HZ LYS 25 -13.951 1.676 -9.858 157 HZ2 LYS 25 1HZ LYS 25 -12.373 1.991 -9.337 158 HZ3 LYS 25 2HZ LYS 25 -13.543 1.480 -8.228 159 H LEU 26 H LEU 26 -10.787 2.216 -8.069 160 HA LEU 26 HA LEU 26 -9.895 1.467 -5.395 161 HB2 LEU 26 1HB LEU 26 -9.461 3.964 -5.946 162 HB3 LEU 26 2HB LEU 26 -11.207 4.131 -5.772 163 HG LEU 26 HG LEU 26 -10.686 2.918 -3.454 164 HD11 LEU 26 1HD1 LEU 26 -8.132 4.305 -4.225 165 HD12 LEU 26 2HD1 LEU 26 -8.351 2.645 -3.672 166 HD13 LEU 26 3HD1 LEU 26 -8.585 3.986 -2.550 167 HD21 LEU 26 3HD2 LEU 26 -11.820 4.872 -3.216 168 HD22 LEU 26 1HD2 LEU 26 -10.746 5.760 -4.297 169 HD23 LEU 26 2HD2 LEU 26 -10.242 5.412 -2.643 170 H LEU 27 H LEU 27 -11.511 0.722 -4.106 171 HA LEU 27 HA LEU 27 -14.275 1.016 -5.065 172 HB2 LEU 27 1HB LEU 27 -13.120 -1.539 -3.966 173 HB3 LEU 27 2HB LEU 27 -14.739 -1.295 -4.617 174 HG LEU 27 HG LEU 27 -13.449 -0.709 -6.816 175 HD11 LEU 27 1HD1 LEU 27 -11.225 -0.744 -5.786 176 HD12 LEU 27 2HD1 LEU 27 -11.374 -1.939 -7.074 177 HD13 LEU 27 3HD1 LEU 27 -11.444 -2.448 -5.387 178 HD21 LEU 27 3HD2 LEU 27 -14.982 -2.591 -6.525 179 HD22 LEU 27 1HD2 LEU 27 -13.686 -3.537 -5.793 180 HD23 LEU 27 2HD2 LEU 27 -13.575 -3.050 -7.485 181 H THR 28 H THR 28 -15.726 -0.145 -3.217 182 HA THR 28 HA THR 28 -15.381 1.533 -0.917 183 HB THR 28 HB THR 28 -17.416 -0.631 -1.485 184 HG1 THR 28 1HG THR 28 -17.958 2.131 -1.398 185 HG21 THR 28 3HG2 THR 28 -17.175 -0.310 0.916 186 HG22 THR 28 1HG2 THR 28 -18.701 0.376 0.362 187 HG23 THR 28 2HG2 THR 28 -17.336 1.434 0.719 188 H SER 29 H SER 29 -14.635 -1.747 -1.734 189 HA SER 29 HA SER 29 -14.191 -2.474 1.061 190 HB2 SER 29 1HB SER 29 -15.249 -3.972 -0.850 191 HB3 SER 29 2HB SER 29 -13.557 -4.327 -1.198 192 HG SER 29 HG SER 29 -15.083 -5.360 0.704 193 H TYR 30 H TYR 30 -12.421 -2.040 -1.964 194 HA TYR 30 HA TYR 30 -10.028 -1.333 -0.579 195 HB2 TYR 30 1HB TYR 30 -8.699 -3.223 -1.757 196 HB3 TYR 30 2HB TYR 30 -9.557 -3.596 -0.266 197 HD1 TYR 30 1HD TYR 30 -11.237 -3.167 -3.517 198 HD2 TYR 30 2HD TYR 30 -9.755 -5.950 -0.660 199 HE1 TYR 30 1HE TYR 30 -12.439 -4.978 -4.667 200 HE2 TYR 30 2HE TYR 30 -10.952 -7.770 -1.803 201 HH TYR 30 HH TYR 30 -13.291 -7.177 -4.250 202 H GLY 31 H GLY 31 -8.122 -1.509 -2.417 203 HA2 GLY 31 1HA GLY 31 -9.181 -0.708 -5.015 204 HA3 GLY 31 2HA GLY 31 -8.295 0.517 -4.118 205 H PHE 32 H PHE 32 -7.426 -0.246 -6.593 206 HA PHE 32 HA PHE 32 -5.102 -1.964 -6.027 207 HB2 PHE 32 1HB PHE 32 -6.340 -1.296 -8.706 208 HB3 PHE 32 2HB PHE 32 -4.982 -2.383 -8.436 209 HD1 PHE 32 2HD PHE 32 -8.514 -1.904 -7.338 210 HD2 PHE 32 1HD PHE 32 -5.401 -4.637 -8.315 211 HE1 PHE 32 2HE PHE 32 -10.080 -3.781 -7.061 212 HE2 PHE 32 1HE PHE 32 -6.962 -6.519 -8.040 213 HZ PHE 32 HZ PHE 32 -9.304 -6.092 -7.411 214 H ILE 33 H ILE 33 -3.050 -1.271 -6.543 215 HA ILE 33 HA ILE 33 -2.812 1.556 -7.347 216 HB ILE 33 HB ILE 33 -1.134 0.008 -5.374 217 HG12 ILE 33 1HG1 ILE 33 -2.404 2.656 -4.831 218 HG13 ILE 33 2HG1 ILE 33 -3.429 1.225 -4.842 219 HG21 ILE 33 1HG2 ILE 33 0.587 1.277 -5.981 220 HG22 ILE 33 2HG2 ILE 33 -0.420 2.229 -7.070 221 HG23 ILE 33 3HG2 ILE 33 -0.308 2.666 -5.365 222 HD11 ILE 33 3HD1 ILE 33 -1.644 0.261 -3.225 223 HD12 ILE 33 1HD1 ILE 33 -1.219 1.956 -2.983 224 HD13 ILE 33 2HD1 ILE 33 -2.854 1.396 -2.627 225 H GLN 34 H GLN 34 -1.896 1.784 -9.267 226 HA GLN 34 HA GLN 34 -0.454 -0.360 -10.517 227 HB2 GLN 34 1HB GLN 34 -1.903 1.061 -11.853 228 HB3 GLN 34 2HB GLN 34 -0.969 2.482 -11.406 229 HG2 GLN 34 1HG GLN 34 -0.017 2.112 -13.409 230 HG3 GLN 34 2HG GLN 34 0.987 1.011 -12.466 231 HE21 GLN 34 2HE2 GLN 34 -0.750 -1.912 -13.661 232 HE22 GLN 34 1HE2 GLN 34 -0.170 -1.220 -12.188 233 H CYS 35 H CYS 35 1.514 -0.784 -9.697 234 HA CYS 35 HA CYS 35 3.265 1.074 -8.551 235 HB2 CYS 35 1HB CYS 35 3.857 -1.602 -9.831 236 HB3 CYS 35 2HB CYS 35 4.999 -0.692 -8.850 237 HG CYS 35 HG CYS 35 4.167 -1.492 -6.547 238 H SER 36 H SER 36 4.302 2.700 -9.475 239 HA SER 36 HA SER 36 4.687 2.758 -12.348 240 HB2 SER 36 1HB SER 36 5.205 4.782 -10.164 241 HB3 SER 36 2HB SER 36 5.605 5.069 -11.858 242 HG SER 36 HG SER 36 3.020 4.208 -11.231 243 H GLU 37 H GLU 37 6.289 1.146 -10.171 244 HA GLU 37 HA GLU 37 8.963 1.911 -11.143 245 HB2 GLU 37 1HB GLU 37 8.406 0.235 -8.702 246 HB3 GLU 37 2HB GLU 37 9.903 1.044 -9.144 247 HG2 GLU 37 1HG GLU 37 8.352 3.186 -8.981 248 HG3 GLU 37 2HG GLU 37 7.452 2.134 -7.890 249 H ARG 38 H ARG 38 6.839 -0.830 -10.435 250 HA ARG 38 HA ARG 38 8.632 -2.587 -11.959 251 HB2 ARG 38 1HB ARG 38 7.524 -4.440 -10.921 252 HB3 ARG 38 2HB ARG 38 7.914 -3.276 -9.662 253 HG2 ARG 38 1HG ARG 38 5.635 -2.507 -9.597 254 HG3 ARG 38 2HG ARG 38 5.214 -3.538 -10.966 255 HD2 ARG 38 1HD ARG 38 6.087 -4.428 -8.221 256 HD3 ARG 38 2HD ARG 38 4.477 -4.584 -8.924 257 HE ARG 38 HE ARG 38 5.210 -6.393 -10.158 258 HH11 ARG 38 2HH1 ARG 38 7.897 -4.836 -8.586 259 HH12 ARG 38 1HH1 ARG 38 9.009 -6.121 -8.925 260 HH21 ARG 38 1HH2 ARG 38 8.306 -7.972 -10.079 261 HH22 ARG 38 2HH2 ARG 38 6.663 -8.091 -10.612 262 H GLN 39 H GLN 39 5.909 -0.725 -12.378 263 HA GLN 39 HA GLN 39 4.365 -0.546 -14.038 264 HB2 GLN 39 1HB GLN 39 6.464 -2.261 -15.258 265 HB3 GLN 39 2HB GLN 39 4.909 -2.188 -16.076 266 HG2 GLN 39 1HG GLN 39 5.118 0.305 -16.058 267 HG3 GLN 39 2HG GLN 39 6.764 0.095 -15.462 268 HE21 GLN 39 2HE2 GLN 39 8.110 -0.874 -18.533 269 HE22 GLN 39 1HE2 GLN 39 8.326 -0.799 -16.821 270 H ALA 40 H ALA 40 3.811 -2.278 -11.888 271 HA ALA 40 HA ALA 40 2.028 -4.203 -13.222 272 HB1 ALA 40 3HB ALA 40 2.980 -4.956 -10.539 273 HB2 ALA 40 1HB ALA 40 2.693 -5.951 -11.967 274 HB3 ALA 40 2HB ALA 40 4.185 -5.019 -11.825 275 H ARG 41 H ARG 41 -0.006 -4.452 -12.335 276 HA ARG 41 HA ARG 41 -0.880 -2.279 -10.628 277 HB2 ARG 41 1HB ARG 41 -3.074 -2.826 -11.268 278 HB3 ARG 41 2HB ARG 41 -2.108 -3.129 -12.706 279 HG2 ARG 41 1HG ARG 41 -2.018 -5.569 -11.701 280 HG3 ARG 41 2HG ARG 41 -3.510 -5.039 -10.922 281 HD2 ARG 41 1HD ARG 41 -4.611 -4.745 -12.943 282 HD3 ARG 41 2HD ARG 41 -3.107 -4.616 -13.855 283 HE ARG 41 HE ARG 41 -3.021 -6.913 -13.999 284 HH11 ARG 41 2HH1 ARG 41 -5.501 -5.955 -11.751 285 HH12 ARG 41 1HH1 ARG 41 -6.185 -7.542 -11.627 286 HH21 ARG 41 1HH2 ARG 41 -5.279 -9.278 -12.817 287 HH22 ARG 41 2HH2 ARG 41 -3.912 -9.007 -13.844 288 H LEU 42 H LEU 42 -0.660 -2.501 -8.501 289 HA LEU 42 HA LEU 42 -0.762 -5.131 -7.268 290 HB2 LEU 42 1HB LEU 42 0.093 -2.412 -6.433 291 HB3 LEU 42 2HB LEU 42 -0.421 -3.535 -5.176 292 HG LEU 42 HG LEU 42 1.895 -3.831 -7.079 293 HD11 LEU 42 1HD1 LEU 42 1.689 -2.653 -4.578 294 HD12 LEU 42 2HD1 LEU 42 3.171 -3.164 -5.385 295 HD13 LEU 42 3HD1 LEU 42 2.363 -4.250 -4.255 296 HD21 LEU 42 3HD2 LEU 42 1.346 -6.023 -7.023 297 HD22 LEU 42 1HD2 LEU 42 0.377 -5.857 -5.559 298 HD23 LEU 42 2HD2 LEU 42 2.135 -5.948 -5.447 299 H PHE 43 H PHE 43 -2.001 -5.340 -5.180 300 HA PHE 43 HA PHE 43 -4.604 -3.975 -5.387 301 HB2 PHE 43 1HB PHE 43 -5.281 -6.074 -5.991 302 HB3 PHE 43 2HB PHE 43 -3.946 -6.861 -5.155 303 HD1 PHE 43 2HD PHE 43 -6.432 -4.483 -3.769 304 HD2 PHE 43 1HD PHE 43 -5.013 -8.495 -3.885 305 HE1 PHE 43 2HE PHE 43 -7.943 -5.067 -1.917 306 HE2 PHE 43 1HE PHE 43 -6.523 -9.085 -2.033 307 HZ PHE 43 HZ PHE 43 -7.989 -7.370 -1.046 308 H PHE 44 H PHE 44 -4.549 -2.542 -3.759 309 HA PHE 44 HA PHE 44 -3.509 -3.379 -1.152 310 HB2 PHE 44 1HB PHE 44 -3.112 -1.161 -0.674 311 HB3 PHE 44 2HB PHE 44 -2.952 -1.133 -2.427 312 HD1 PHE 44 2HD PHE 44 -5.062 -0.206 0.417 313 HD2 PHE 44 1HD PHE 44 -4.586 -0.041 -3.809 314 HE1 PHE 44 2HE PHE 44 -6.813 1.518 0.291 315 HE2 PHE 44 1HE PHE 44 -6.336 1.683 -3.943 316 HZ PHE 44 HZ PHE 44 -7.453 2.464 -1.891 317 H HIS 45 H HIS 45 -4.745 -3.483 0.667 318 HA HIS 45 HA HIS 45 -7.634 -3.475 0.258 319 HB2 HIS 45 1HB HIS 45 -6.091 -5.274 1.513 320 HB3 HIS 45 2HB HIS 45 -6.468 -4.234 2.883 321 HD1 HIS 45 1HD HIS 45 -9.372 -3.593 2.457 322 HD2 HIS 45 2HD HIS 45 -7.782 -7.367 1.759 323 HE1 HIS 45 1HE HIS 45 -11.315 -5.181 2.616 324 HE2 HIS 45 2HE HIS 45 -10.314 -7.467 2.274 325 H CYS 46 H CYS 46 -9.059 -2.195 1.373 326 HA CYS 46 HA CYS 46 -8.380 0.379 2.038 327 HB2 CYS 46 1HB CYS 46 -10.557 0.629 2.938 328 HB3 CYS 46 2HB CYS 46 -10.704 -0.598 1.685 329 HG CYS 46 HG CYS 46 -11.223 -0.839 4.980 330 H SER 47 H SER 47 -7.942 -2.470 3.905 331 HA SER 47 HA SER 47 -7.798 -1.193 6.466 332 HB2 SER 47 1HB SER 47 -8.327 -3.634 6.090 333 HB3 SER 47 2HB SER 47 -6.627 -3.871 5.689 334 HG SER 47 HG SER 47 -6.283 -2.803 7.846 335 H GLN 48 H GLN 48 -5.530 -1.992 3.923 336 HA GLN 48 HA GLN 48 -3.130 -1.710 5.322 337 HB2 GLN 48 1HB GLN 48 -3.587 -0.903 2.450 338 HB3 GLN 48 2HB GLN 48 -2.073 -1.412 3.185 339 HG2 GLN 48 1HG GLN 48 -4.497 -3.099 2.627 340 HG3 GLN 48 2HG GLN 48 -2.905 -3.215 1.879 341 HE21 GLN 48 2HE2 GLN 48 -3.310 -5.853 4.471 342 HE22 GLN 48 1HE2 GLN 48 -4.212 -5.367 3.080 343 H TYR 49 H TYR 49 -4.892 0.725 3.407 344 HA TYR 49 HA TYR 49 -3.229 2.888 3.847 345 HB2 TYR 49 1HB TYR 49 -5.204 2.820 2.302 346 HB3 TYR 49 2HB TYR 49 -6.246 3.020 3.706 347 HD1 TYR 49 2HD TYR 49 -3.068 4.665 2.616 348 HD2 TYR 49 1HD TYR 49 -7.143 5.143 3.742 349 HE1 TYR 49 2HE TYR 49 -2.824 7.107 2.443 350 HE2 TYR 49 1HE TYR 49 -6.911 7.585 3.571 351 HH TYR 49 HH TYR 49 -5.055 9.271 3.700 352 H ASN 50 H ASN 50 -2.654 3.987 5.594 353 HA ASN 50 HA ASN 50 -3.831 3.419 8.145 354 HB2 ASN 50 1HB ASN 50 -2.020 4.509 9.065 355 HB3 ASN 50 2HB ASN 50 -1.349 4.053 7.502 356 HD21 ASN 50 2HD2 ASN 50 -1.532 7.388 6.195 357 HD22 ASN 50 1HD2 ASN 50 -1.848 5.750 5.745 358 H GLY 51 H GLY 51 -3.788 6.189 5.941 359 HA2 GLY 51 1HA GLY 51 -5.182 7.971 7.644 360 HA3 GLY 51 2HA GLY 51 -5.027 8.123 5.900 361 H ASN 52 H ASN 52 -7.085 8.658 5.366 362 HA ASN 52 HA ASN 52 -9.160 6.666 6.005 363 HB2 ASN 52 1HB ASN 52 -10.726 8.752 5.683 364 HB3 ASN 52 2HB ASN 52 -9.926 8.475 7.228 365 HD21 ASN 52 2HD2 ASN 52 -9.412 11.909 5.382 366 HD22 ASN 52 1HD2 ASN 52 -10.686 10.780 5.089 367 H LEU 53 H LEU 53 -9.609 5.572 4.213 368 HA LEU 53 HA LEU 53 -8.941 5.983 1.654 369 HB2 LEU 53 1HB LEU 53 -11.291 4.710 2.922 370 HB3 LEU 53 2HB LEU 53 -11.392 5.007 1.188 371 HG LEU 53 HG LEU 53 -10.639 2.723 1.750 372 HD11 LEU 53 1HD1 LEU 53 -9.692 2.843 -0.248 373 HD12 LEU 53 2HD1 LEU 53 -8.212 3.431 0.508 374 HD13 LEU 53 3HD1 LEU 53 -9.430 4.576 -0.053 375 HD21 LEU 53 3HD2 LEU 53 -8.792 2.248 2.992 376 HD22 LEU 53 1HD2 LEU 53 -9.266 3.758 3.770 377 HD23 LEU 53 2HD2 LEU 53 -7.978 3.754 2.565 378 H GLN 54 H GLN 54 -11.593 7.585 3.317 379 HA GLN 54 HA GLN 54 -12.993 8.737 1.276 380 HB2 GLN 54 1HB GLN 54 -12.197 9.888 3.947 381 HB3 GLN 54 2HB GLN 54 -13.300 10.712 2.853 382 HG2 GLN 54 1HG GLN 54 -13.689 8.084 4.249 383 HG3 GLN 54 2HG GLN 54 -14.635 9.563 4.415 384 HE21 GLN 54 2HE2 GLN 54 -16.229 9.101 1.197 385 HE22 GLN 54 1HE2 GLN 54 -15.396 10.327 2.085 386 H ASP 55 H ASP 55 -9.998 9.983 2.729 387 HA ASP 55 HA ASP 55 -9.809 12.244 1.026 388 HB2 ASP 55 1HB ASP 55 -8.012 10.867 2.961 389 HB3 ASP 55 2HB ASP 55 -7.268 11.952 1.789 390 H LEU 56 H LEU 56 -8.539 8.962 0.859 391 HA LEU 56 HA LEU 56 -6.796 9.337 -1.316 392 HB2 LEU 56 1HB LEU 56 -7.179 7.318 0.330 393 HB3 LEU 56 2HB LEU 56 -8.252 6.763 -0.953 394 HG LEU 56 HG LEU 56 -6.395 6.728 -2.522 395 HD11 LEU 56 1HD1 LEU 56 -5.005 8.095 -0.292 396 HD12 LEU 56 2HD1 LEU 56 -4.857 8.322 -2.035 397 HD13 LEU 56 3HD1 LEU 56 -4.068 6.952 -1.255 398 HD21 LEU 56 3HD2 LEU 56 -5.089 5.285 -0.352 399 HD22 LEU 56 1HD2 LEU 56 -5.790 4.684 -1.855 400 HD23 LEU 56 2HD2 LEU 56 -6.823 4.971 -0.454 401 H LYS 57 H LYS 57 -7.068 8.558 -3.518 402 HA LYS 57 HA LYS 57 -9.708 8.149 -4.566 403 HB2 LYS 57 1HB LYS 57 -9.527 10.156 -6.124 404 HB3 LYS 57 2HB LYS 57 -9.945 10.495 -4.450 405 HG2 LYS 57 1HG LYS 57 -7.668 11.169 -3.984 406 HG3 LYS 57 2HG LYS 57 -7.186 10.751 -5.630 407 HD2 LYS 57 1HD LYS 57 -7.497 13.034 -5.793 408 HD3 LYS 57 2HD LYS 57 -9.068 12.420 -6.311 409 HE2 LYS 57 1HE LYS 57 -9.995 12.824 -4.122 410 HE3 LYS 57 2HE LYS 57 -8.414 13.294 -3.500 411 HZ1 LYS 57 3HZ LYS 57 -9.752 15.231 -3.983 412 HZ2 LYS 57 1HZ LYS 57 -9.965 14.732 -5.585 413 HZ3 LYS 57 2HZ LYS 57 -8.428 15.175 -5.034 414 H VAL 58 H VAL 58 -9.662 7.923 -6.975 415 HA VAL 58 HA VAL 58 -7.369 6.364 -7.730 416 HB VAL 58 HB VAL 58 -9.920 7.079 -9.164 417 HG11 VAL 58 1HG1 VAL 58 -8.864 6.722 -11.095 418 HG12 VAL 58 2HG1 VAL 58 -7.409 6.142 -10.282 419 HG13 VAL 58 3HG1 VAL 58 -8.744 5.034 -10.601 420 HG21 VAL 58 3HG2 VAL 58 -10.522 4.814 -8.823 421 HG22 VAL 58 1HG2 VAL 58 -8.888 4.381 -8.322 422 HG23 VAL 58 2HG2 VAL 58 -9.890 5.392 -7.281 423 H GLY 59 H GLY 59 -5.561 7.247 -8.478 424 HA2 GLY 59 1HA GLY 59 -4.558 8.340 -10.432 425 HA3 GLY 59 2HA GLY 59 -5.799 9.575 -10.282 426 H ASP 60 H ASP 60 -4.362 8.366 -7.391 427 HA ASP 60 HA ASP 60 -2.671 10.772 -7.217 428 HB2 ASP 60 1HB ASP 60 -4.693 9.703 -5.302 429 HB3 ASP 60 2HB ASP 60 -3.243 10.455 -4.642 430 H ASP 61 H ASP 61 -0.660 10.527 -6.358 431 HA ASP 61 HA ASP 61 0.479 7.936 -6.334 432 HB2 ASP 61 1HB ASP 61 1.469 10.677 -5.624 433 HB3 ASP 61 2HB ASP 61 2.451 9.264 -5.245 434 H VAL 62 H VAL 62 1.249 6.682 -4.641 435 HA VAL 62 HA VAL 62 0.824 7.507 -1.900 436 HB VAL 62 HB VAL 62 -0.461 5.261 -1.519 437 HG11 VAL 62 1HG1 VAL 62 -1.216 7.951 -1.810 438 HG12 VAL 62 2HG1 VAL 62 -2.452 6.997 -2.632 439 HG13 VAL 62 3HG1 VAL 62 -2.070 6.677 -0.939 440 HG21 VAL 62 3HG2 VAL 62 -0.483 4.285 -3.640 441 HG22 VAL 62 1HG2 VAL 62 -2.101 4.968 -3.475 442 HG23 VAL 62 2HG2 VAL 62 -0.885 5.806 -4.439 443 H GLU 63 H GLU 63 2.069 6.377 -0.453 444 HA GLU 63 HA GLU 63 4.002 4.526 -1.637 445 HB2 GLU 63 1HB GLU 63 4.734 6.564 -0.322 446 HB3 GLU 63 2HB GLU 63 4.098 5.768 1.111 447 HG2 GLU 63 1HG GLU 63 5.657 3.806 0.252 448 HG3 GLU 63 2HG GLU 63 6.514 5.157 -0.489 449 H PHE 64 H PHE 64 4.212 2.439 -1.026 450 HA PHE 64 HA PHE 64 2.797 1.454 1.319 451 HB2 PHE 64 1HB PHE 64 1.808 -0.423 -0.105 452 HB3 PHE 64 2HB PHE 64 1.051 1.161 -0.248 453 HD1 PHE 64 1HD PHE 64 1.315 2.489 -2.266 454 HD2 PHE 64 2HD PHE 64 3.033 -1.391 -1.930 455 HE1 PHE 64 1HE PHE 64 1.649 2.429 -4.703 456 HE2 PHE 64 2HE PHE 64 3.370 -1.457 -4.366 457 HZ PHE 64 HZ PHE 64 2.678 0.454 -5.756 458 H GLU 65 H GLU 65 3.154 -1.068 1.401 459 HA GLU 65 HA GLU 65 5.952 -1.591 0.636 460 HB2 GLU 65 1HB GLU 65 6.140 -1.406 2.930 461 HB3 GLU 65 2HB GLU 65 4.517 -2.018 3.219 462 HG2 GLU 65 1HG GLU 65 6.060 -3.644 4.000 463 HG3 GLU 65 2HG GLU 65 5.316 -4.272 2.531 464 H VAL 66 H VAL 66 6.198 -3.255 -0.687 465 HA VAL 66 HA VAL 66 4.016 -4.975 -1.358 466 HB VAL 66 HB VAL 66 6.925 -5.108 -2.160 467 HG11 VAL 66 1HG1 VAL 66 6.451 -7.151 -2.911 468 HG12 VAL 66 2HG1 VAL 66 4.729 -6.953 -2.579 469 HG13 VAL 66 3HG1 VAL 66 5.408 -6.372 -4.100 470 HG21 VAL 66 3HG2 VAL 66 5.691 -4.367 -4.385 471 HG22 VAL 66 1HG2 VAL 66 4.537 -3.703 -3.228 472 HG23 VAL 66 2HG2 VAL 66 6.224 -3.192 -3.183 473 H SER 67 H SER 67 3.413 -6.737 -0.302 474 HA SER 67 HA SER 67 5.460 -8.302 1.123 475 HB2 SER 67 1HB SER 67 2.862 -7.232 2.105 476 HB3 SER 67 2HB SER 67 3.321 -8.850 2.637 477 HG SER 67 HG SER 67 4.649 -7.939 3.968 478 H SER 68 H SER 68 4.388 -10.524 1.782 479 HA SER 68 HA SER 68 3.044 -11.569 -0.624 480 HB2 SER 68 1HB SER 68 4.934 -13.082 1.191 481 HB3 SER 68 2HB SER 68 4.238 -13.654 -0.325 482 HG SER 68 HG SER 68 5.358 -11.760 -1.274 483 H ASP 69 H ASP 69 1.051 -12.262 -0.278 484 HA ASP 69 HA ASP 69 -0.179 -12.401 2.223 485 HB2 ASP 69 1HB ASP 69 -1.226 -12.254 -0.142 486 HB3 ASP 69 2HB ASP 69 -1.140 -14.014 -0.126 487 H ARG 70 H ARG 70 -1.399 -14.506 2.908 488 HA ARG 70 HA ARG 70 0.621 -16.642 3.094 489 HB2 ARG 70 1HB ARG 70 -1.413 -15.616 5.050 490 HB3 ARG 70 2HB ARG 70 -0.780 -17.250 5.196 491 HG2 ARG 70 1HG ARG 70 0.363 -15.501 6.589 492 HG3 ARG 70 2HG ARG 70 1.418 -16.471 5.559 493 HD2 ARG 70 1HD ARG 70 1.938 -14.031 5.558 494 HD3 ARG 70 2HD ARG 70 1.601 -14.703 3.963 495 HE ARG 70 HE ARG 70 -0.288 -13.398 3.838 496 HH11 ARG 70 2HH1 ARG 70 0.961 -13.350 7.087 497 HH12 ARG 70 1HH1 ARG 70 -0.083 -12.070 7.609 498 HH21 ARG 70 1HH2 ARG 70 -1.578 -11.139 6.144 499 HH22 ARG 70 2HH2 ARG 70 -1.668 -11.712 4.513 500 H ARG 71 H ARG 71 -2.406 -15.849 1.856 501 HA ARG 71 HA ARG 71 -3.339 -18.627 1.856 502 HB2 ARG 71 1HB ARG 71 -4.835 -16.243 0.780 503 HB3 ARG 71 2HB ARG 71 -5.483 -17.805 1.264 504 HG2 ARG 71 1HG ARG 71 -4.758 -17.250 3.612 505 HG3 ARG 71 2HG ARG 71 -4.435 -15.615 3.031 506 HD2 ARG 71 1HD ARG 71 -7.092 -16.912 2.556 507 HD3 ARG 71 2HD ARG 71 -6.731 -16.145 4.102 508 HE ARG 71 HE ARG 71 -6.841 -14.083 3.083 509 HH11 ARG 71 2HH1 ARG 71 -6.852 -16.599 0.677 510 HH12 ARG 71 1HH1 ARG 71 -7.267 -15.533 -0.624 511 HH21 ARG 71 1HH2 ARG 71 -7.571 -13.298 -0.224 512 HH22 ARG 71 2HH2 ARG 71 -7.388 -12.670 1.378 513 H THR 72 H THR 72 -2.397 -16.008 -0.302 514 HA THR 72 HA THR 72 -2.417 -17.929 -2.540 515 HB THR 72 HB THR 72 -2.884 -16.178 -4.077 516 HG1 THR 72 1HG THR 72 -3.092 -13.967 -3.235 517 HG21 THR 72 3HG2 THR 72 -4.575 -16.153 -1.609 518 HG22 THR 72 1HG2 THR 72 -4.938 -16.803 -3.206 519 HG23 THR 72 2HG2 THR 72 -4.948 -15.060 -2.941 520 H GLY 73 H GLY 73 -0.538 -15.870 -0.582 521 HA2 GLY 73 1HA GLY 73 1.711 -15.408 -0.554 522 HA3 GLY 73 2HA GLY 73 1.901 -16.721 -1.707 523 H LYS 74 H LYS 74 -0.236 -14.233 -2.663 524 HA LYS 74 HA LYS 74 1.565 -13.457 -4.787 525 HB2 LYS 74 1HB LYS 74 -1.191 -12.374 -4.193 526 HB3 LYS 74 2HB LYS 74 -0.311 -12.264 -5.712 527 HG2 LYS 74 1HG LYS 74 -0.880 -14.967 -4.625 528 HG3 LYS 74 2HG LYS 74 -2.213 -14.049 -5.330 529 HD2 LYS 74 1HD LYS 74 -0.430 -13.666 -7.257 530 HD3 LYS 74 2HD LYS 74 0.217 -15.178 -6.617 531 HE2 LYS 74 1HE LYS 74 -1.252 -16.011 -8.151 532 HE3 LYS 74 2HE LYS 74 -2.320 -15.905 -6.752 533 HZ1 LYS 74 3HZ LYS 74 -2.957 -13.649 -7.615 534 HZ2 LYS 74 1HZ LYS 74 -3.476 -14.959 -8.553 535 HZ3 LYS 74 2HZ LYS 74 -2.145 -14.040 -9.047 536 HA PRO 75 HA PRO 75 3.133 -9.758 -3.012 537 HB2 PRO 75 2HB PRO 75 4.493 -9.600 -4.858 538 HB3 PRO 75 1HB PRO 75 3.446 -8.226 -5.232 539 HG2 PRO 75 1HG PRO 75 2.160 -9.450 -6.727 540 HG3 PRO 75 2HG PRO 75 3.735 -10.229 -6.964 541 HD2 PRO 75 1HD PRO 75 1.511 -11.617 -6.285 542 HD3 PRO 75 2HD PRO 75 3.135 -12.096 -5.752 543 H ILE 76 H ILE 76 1.553 -8.835 -1.759 544 HA ILE 76 HA ILE 76 -0.330 -7.026 -3.126 545 HB ILE 76 HB ILE 76 -1.838 -7.265 -1.232 546 HG12 ILE 76 1HG1 ILE 76 -0.215 -9.507 -0.107 547 HG13 ILE 76 2HG1 ILE 76 0.244 -7.856 0.296 548 HG21 ILE 76 1HG2 ILE 76 -0.918 -9.821 -2.519 549 HG22 ILE 76 2HG2 ILE 76 -2.354 -9.730 -1.500 550 HG23 ILE 76 3HG2 ILE 76 -2.266 -8.784 -2.986 551 HD11 ILE 76 3HD1 ILE 76 -1.678 -9.432 1.543 552 HD12 ILE 76 1HD1 ILE 76 -1.373 -7.714 1.798 553 HD13 ILE 76 2HD1 ILE 76 -2.586 -8.230 0.626 554 H ALA 77 H ALA 77 -0.884 -5.052 -1.984 555 HA ALA 77 HA ALA 77 1.459 -3.871 -0.747 556 HB1 ALA 77 3HB ALA 77 0.721 -1.938 -1.583 557 HB2 ALA 77 1HB ALA 77 -0.455 -2.910 -2.468 558 HB3 ALA 77 2HB ALA 77 -0.900 -2.174 -0.928 559 H VAL 78 H VAL 78 1.403 -2.718 1.250 560 HA VAL 78 HA VAL 78 -0.855 -3.139 3.027 561 HB VAL 78 HB VAL 78 0.527 -4.151 4.807 562 HG11 VAL 78 1HG1 VAL 78 -0.832 -5.438 2.999 563 HG12 VAL 78 2HG1 VAL 78 0.758 -5.960 2.440 564 HG13 VAL 78 3HG1 VAL 78 0.237 -6.325 4.085 565 HG21 VAL 78 3HG2 VAL 78 2.638 -3.596 2.929 566 HG22 VAL 78 1HG2 VAL 78 2.741 -4.061 4.627 567 HG23 VAL 78 2HG2 VAL 78 2.637 -5.301 3.378 568 H LYS 79 H LYS 79 -0.631 -1.968 5.061 569 HA LYS 79 HA LYS 79 -0.320 0.041 6.105 570 HB2 LYS 79 1HB LYS 79 2.589 -0.381 5.429 571 HB3 LYS 79 2HB LYS 79 1.916 0.453 6.824 572 HG2 LYS 79 1HG LYS 79 1.491 -2.479 6.329 573 HG3 LYS 79 2HG LYS 79 2.867 -1.847 7.236 574 HD2 LYS 79 1HD LYS 79 1.419 -2.207 8.963 575 HD3 LYS 79 2HD LYS 79 0.944 -0.561 8.533 576 HE2 LYS 79 1HE LYS 79 -0.738 -1.731 6.945 577 HE3 LYS 79 2HE LYS 79 -0.446 -3.149 7.951 578 HZ1 LYS 79 3HZ LYS 79 -0.896 -1.274 9.801 579 HZ2 LYS 79 1HZ LYS 79 -2.098 -2.284 9.172 580 HZ3 LYS 79 2HZ LYS 79 -1.901 -0.721 8.557 581 H LEU 80 H LEU 80 -1.175 0.511 3.587 582 HA LEU 80 HA LEU 80 0.449 2.089 1.947 583 HB2 LEU 80 1HB LEU 80 -2.119 1.148 1.851 584 HB3 LEU 80 2HB LEU 80 -2.365 2.884 2.030 585 HG LEU 80 HG LEU 80 -0.546 2.858 0.034 586 HD11 LEU 80 1HD1 LEU 80 -0.622 1.041 -1.312 587 HD12 LEU 80 2HD1 LEU 80 -2.283 0.645 -0.874 588 HD13 LEU 80 3HD1 LEU 80 -0.960 0.226 0.215 589 HD21 LEU 80 3HD2 LEU 80 -3.373 2.422 -0.758 590 HD22 LEU 80 1HD2 LEU 80 -2.239 3.681 -1.248 591 HD23 LEU 80 2HD2 LEU 80 -3.020 3.765 0.331 592 H VAL 81 H VAL 81 0.596 4.347 1.675 593 HA VAL 81 HA VAL 81 -0.545 6.120 3.647 594 HB VAL 81 HB VAL 81 1.739 7.052 4.256 595 HG11 VAL 81 1HG1 VAL 81 1.358 4.266 5.299 596 HG12 VAL 81 2HG1 VAL 81 1.889 5.712 6.160 597 HG13 VAL 81 3HG1 VAL 81 0.204 5.548 5.665 598 HG21 VAL 81 3HG2 VAL 81 3.639 6.061 3.604 599 HG22 VAL 81 1HG2 VAL 81 3.003 4.443 3.906 600 HG23 VAL 81 2HG2 VAL 81 2.645 5.263 2.385 601 H LYS 82 H LYS 82 -1.103 7.897 2.593 602 HA LYS 82 HA LYS 82 -0.410 8.447 -0.056 603 HB2 LYS 82 1HB LYS 82 -2.342 9.352 1.502 604 HB3 LYS 82 2HB LYS 82 -1.213 10.674 1.768 605 HG2 LYS 82 1HG LYS 82 -1.406 11.455 -0.361 606 HG3 LYS 82 2HG LYS 82 -1.757 9.861 -1.033 607 HD2 LYS 82 1HD LYS 82 -4.001 9.933 -0.160 608 HD3 LYS 82 2HD LYS 82 -3.663 11.442 0.691 609 HE2 LYS 82 1HE LYS 82 -3.107 12.382 -1.639 610 HE3 LYS 82 2HE LYS 82 -3.950 10.962 -2.257 611 HZ1 LYS 82 3HZ LYS 82 -5.268 13.116 -1.899 612 HZ2 LYS 82 1HZ LYS 82 -5.228 12.711 -0.256 613 HZ3 LYS 82 2HZ LYS 82 -5.952 11.662 -1.369 614 H ILE 83 H ILE 83 1.242 9.480 -0.996 615 HA ILE 83 HA ILE 83 3.548 10.168 0.518 616 HB ILE 83 HB ILE 83 3.087 11.005 -2.333 617 HG12 ILE 83 1HG1 ILE 83 3.679 8.261 -1.237 618 HG13 ILE 83 2HG1 ILE 83 2.434 8.731 -2.389 619 HG21 ILE 83 1HG2 ILE 83 5.166 11.534 -0.781 620 HG22 ILE 83 2HG2 ILE 83 5.644 9.916 -1.291 621 HG23 ILE 83 3HG2 ILE 83 5.355 11.170 -2.496 622 HD11 ILE 83 3HD1 ILE 83 3.808 8.045 -3.981 623 HD12 ILE 83 1HD1 ILE 83 4.811 9.448 -3.616 624 HD13 ILE 83 2HD1 ILE 83 5.152 7.896 -2.850 625 H SER 84 H SER 84 1.231 12.117 -1.355 626 HA SER 84 HA SER 84 2.404 14.591 -0.461 627 HB2 SER 84 1HB SER 84 0.578 15.656 -1.722 628 HB3 SER 84 2HB SER 84 1.388 14.427 -2.692 629 HG SER 84 HG SER 84 -1.162 14.376 -1.515 630 H GLY 85 H GLY 85 2.032 15.489 1.448 631 HA2 GLY 85 1HA GLY 85 -0.203 16.316 2.620 632 HA3 GLY 85 2HA GLY 85 -0.251 14.609 3.035 633 HA PRO 86 HA PRO 86 3.697 16.345 5.214 634 HB2 PRO 86 2HB PRO 86 4.753 17.895 3.886 635 HB3 PRO 86 1HB PRO 86 4.099 19.026 5.077 636 HG2 PRO 86 1HG PRO 86 2.307 19.614 3.722 637 HG3 PRO 86 2HG PRO 86 3.539 19.300 2.486 638 HD2 PRO 86 1HD PRO 86 1.139 18.047 2.501 639 HD3 PRO 86 2HD PRO 86 2.619 17.269 1.904 640 H SER 87 H SER 87 0.545 17.250 5.393 641 HA SER 87 HA SER 87 0.373 19.096 7.464 642 HB2 SER 87 1HB SER 87 -1.486 16.756 6.976 643 HB3 SER 87 2HB SER 87 -1.873 18.235 7.855 644 HG SER 87 HG SER 87 -1.096 19.171 5.647 645 H SER 88 H SER 88 0.336 18.964 9.679 646 HA SER 88 HA SER 88 1.997 17.117 10.935 647 HB2 SER 88 1HB SER 88 1.163 19.438 11.745 648 HB3 SER 88 2HB SER 88 -0.192 18.540 12.428 649 HG SER 88 HG SER 88 1.082 18.070 14.016 650 H GLY 89 H GLY 89 1.168 15.849 12.970 651 HA2 GLY 89 1HA GLY 89 -1.368 14.495 12.479 652 HA3 GLY 89 2HA GLY 89 0.081 13.508 12.352 Start of MODEL 2 1 H1 GLY 1 H GLY 1 20.942 7.726 14.071 2 HA2 GLY 1 1HA GLY 1 19.688 5.862 13.469 3 HA3 GLY 1 2HA GLY 1 18.497 6.931 12.743 4 H SER 2 H SER 2 21.100 4.827 12.179 5 HA SER 2 HA SER 2 21.074 5.548 9.323 6 HB2 SER 2 1HB SER 2 23.226 6.197 10.200 7 HB3 SER 2 2HB SER 2 23.424 4.636 10.997 8 HG SER 2 HG SER 2 24.127 3.837 9.190 9 H SER 3 H SER 3 20.505 3.962 7.984 10 HA SER 3 HA SER 3 19.569 1.489 8.885 11 HB2 SER 3 1HB SER 3 19.561 0.859 6.452 12 HB3 SER 3 2HB SER 3 18.764 2.393 6.802 13 HG SER 3 HG SER 3 21.335 1.973 5.691 14 H GLY 4 H GLY 4 20.934 0.182 9.984 15 HA2 GLY 4 1HA GLY 4 23.655 -0.244 9.146 16 HA3 GLY 4 2HA GLY 4 22.830 -1.055 10.469 17 H SER 5 H SER 5 24.518 -1.899 8.028 18 HA SER 5 HA SER 5 22.663 -3.983 7.076 19 HB2 SER 5 1HB SER 5 24.919 -2.571 5.655 20 HB3 SER 5 2HB SER 5 24.260 -4.101 5.075 21 HG SER 5 HG SER 5 22.994 -1.589 5.282 22 H SER 6 H SER 6 23.242 -5.293 8.890 23 HA SER 6 HA SER 6 25.996 -6.316 8.867 24 HB2 SER 6 1HB SER 6 23.850 -6.209 10.961 25 HB3 SER 6 2HB SER 6 25.126 -7.421 11.079 26 HG SER 6 HG SER 6 25.297 -5.027 11.951 27 H GLY 7 H GLY 7 26.269 -8.063 7.648 28 HA2 GLY 7 1HA GLY 7 25.827 -10.034 6.540 29 HA3 GLY 7 2HA GLY 7 25.180 -10.533 8.096 30 H GLY 8 H GLY 8 23.045 -10.911 8.279 31 HA2 GLY 8 1HA GLY 8 20.754 -10.485 7.759 32 HA3 GLY 8 2HA GLY 8 21.257 -9.873 6.191 33 H TYR 9 H TYR 9 21.551 -12.904 8.051 34 HA TYR 9 HA TYR 9 21.190 -14.405 5.568 35 HB2 TYR 9 1HB TYR 9 21.655 -16.362 7.260 36 HB3 TYR 9 2HB TYR 9 22.976 -15.352 6.683 37 HD1 TYR 9 2HD TYR 9 20.856 -16.183 9.553 38 HD2 TYR 9 1HD TYR 9 24.081 -13.781 8.163 39 HE1 TYR 9 2HE TYR 9 21.436 -15.626 11.878 40 HE2 TYR 9 1HE TYR 9 24.670 -13.217 10.483 41 HH TYR 9 HH TYR 9 23.985 -13.302 12.630 42 HA PRO 10 HA PRO 10 20.886 -16.828 5.484 43 HB2 PRO 10 2HB PRO 10 19.394 -18.562 5.265 44 HB3 PRO 10 1HB PRO 10 19.147 -17.850 3.667 45 HG2 PRO 10 1HG PRO 10 17.215 -16.740 4.319 46 HG3 PRO 10 2HG PRO 10 17.100 -18.187 5.338 47 HD2 PRO 10 1HD PRO 10 17.050 -15.679 6.357 48 HD3 PRO 10 2HD PRO 10 17.748 -17.053 7.238 49 H ASN 11 H ASN 11 21.974 -16.260 3.660 50 HA ASN 11 HA ASN 11 21.747 -13.776 2.531 51 HB2 ASN 11 1HB ASN 11 22.969 -14.881 0.516 52 HB3 ASN 11 2HB ASN 11 23.761 -14.862 2.089 53 HD21 ASN 11 2HD2 ASN 11 23.735 -18.317 2.519 54 HD22 ASN 11 1HD2 ASN 11 23.974 -16.767 3.244 55 H GLY 12 H GLY 12 20.198 -12.851 1.374 56 HA2 GLY 12 1HA GLY 12 18.942 -14.336 -0.802 57 HA3 GLY 12 2HA GLY 12 17.876 -13.746 0.463 58 H THR 13 H THR 13 16.746 -12.231 -0.644 59 HA THR 13 HA THR 13 18.049 -10.349 -2.394 60 HB THR 13 HB THR 13 15.811 -9.331 -2.629 61 HG1 THR 13 1HG THR 13 14.948 -9.704 -0.582 62 HG21 THR 13 3HG2 THR 13 15.066 -10.950 -4.043 63 HG22 THR 13 1HG2 THR 13 15.228 -12.229 -2.841 64 HG23 THR 13 2HG2 THR 13 16.652 -11.638 -3.698 65 H SER 14 H SER 14 17.840 -8.007 -2.126 66 HA SER 14 HA SER 14 18.986 -7.046 0.181 67 HB2 SER 14 1HB SER 14 17.340 -5.701 -1.948 68 HB3 SER 14 2HB SER 14 17.971 -4.785 -0.579 69 HG SER 14 HG SER 14 20.066 -5.833 -1.238 70 H ALA 15 H ALA 15 17.942 -5.258 1.588 71 HA ALA 15 HA ALA 15 15.957 -6.481 3.188 72 HB1 ALA 15 3HB ALA 15 17.246 -3.778 3.182 73 HB2 ALA 15 1HB ALA 15 15.909 -4.141 4.274 74 HB3 ALA 15 2HB ALA 15 17.398 -5.084 4.358 75 H ALA 16 H ALA 16 14.058 -4.868 3.931 76 HA ALA 16 HA ALA 16 12.295 -4.755 1.663 77 HB1 ALA 16 3HB ALA 16 11.934 -4.138 4.583 78 HB2 ALA 16 1HB ALA 16 10.654 -3.900 3.394 79 HB3 ALA 16 2HB ALA 16 11.314 -5.513 3.669 80 H LEU 17 H LEU 17 10.838 -2.768 1.436 81 HA LEU 17 HA LEU 17 11.818 -0.208 2.133 82 HB2 LEU 17 1HB LEU 17 12.936 0.514 0.291 83 HB3 LEU 17 2HB LEU 17 13.404 -1.185 0.273 84 HG LEU 17 HG LEU 17 12.907 -0.596 -1.961 85 HD11 LEU 17 1HD1 LEU 17 11.834 -2.510 -2.254 86 HD12 LEU 17 2HD1 LEU 17 10.319 -1.757 -1.758 87 HD13 LEU 17 3HD1 LEU 17 11.366 -2.506 -0.553 88 HD21 LEU 17 3HD2 LEU 17 11.601 1.141 -2.402 89 HD22 LEU 17 1HD2 LEU 17 11.000 1.154 -0.744 90 HD23 LEU 17 2HD2 LEU 17 10.198 0.166 -1.964 91 H ARG 18 H ARG 18 10.372 1.419 1.615 92 HA ARG 18 HA ARG 18 7.738 0.541 0.881 93 HB2 ARG 18 1HB ARG 18 8.744 3.346 1.394 94 HB3 ARG 18 2HB ARG 18 7.061 2.837 1.341 95 HG2 ARG 18 1HG ARG 18 9.071 1.821 3.337 96 HG3 ARG 18 2HG ARG 18 7.961 3.161 3.631 97 HD2 ARG 18 1HD ARG 18 6.871 0.553 2.682 98 HD3 ARG 18 2HD ARG 18 7.356 0.714 4.370 99 HE ARG 18 HE ARG 18 5.096 1.973 3.074 100 HH11 ARG 18 2HH1 ARG 18 7.230 1.933 5.825 101 HH12 ARG 18 1HH1 ARG 18 6.123 2.772 6.860 102 HH21 ARG 18 1HH2 ARG 18 4.075 3.422 6.065 103 HH22 ARG 18 2HH2 ARG 18 3.630 3.078 4.428 104 H GLU 19 H GLU 19 6.966 0.427 -1.113 105 HA GLU 19 HA GLU 19 8.369 1.818 -3.268 106 HB2 GLU 19 1HB GLU 19 6.135 -0.183 -3.567 107 HB3 GLU 19 2HB GLU 19 7.317 0.305 -4.773 108 HG2 GLU 19 1HG GLU 19 8.259 -0.980 -2.259 109 HG3 GLU 19 2HG GLU 19 7.540 -1.976 -3.523 110 H THR 20 H THR 20 7.203 2.988 -4.891 111 HA THR 20 HA THR 20 4.642 4.094 -3.935 112 HB THR 20 HB THR 20 5.230 6.266 -4.732 113 HG1 THR 20 1HG THR 20 6.442 5.524 -6.587 114 HG21 THR 20 3HG2 THR 20 6.219 6.467 -2.734 115 HG22 THR 20 1HG2 THR 20 7.747 6.265 -3.590 116 HG23 THR 20 2HG2 THR 20 6.959 4.871 -2.851 117 H GLY 21 H GLY 21 3.061 4.534 -5.463 118 HA2 GLY 21 1HA GLY 21 3.634 4.032 -8.277 119 HA3 GLY 21 2HA GLY 21 2.518 2.919 -7.501 120 H VAL 22 H VAL 22 0.575 3.401 -8.314 121 HA VAL 22 HA VAL 22 -0.554 6.002 -7.725 122 HB VAL 22 HB VAL 22 0.552 6.076 -10.064 123 HG11 VAL 22 1HG1 VAL 22 -0.717 3.798 -10.544 124 HG12 VAL 22 2HG1 VAL 22 -1.984 4.907 -11.074 125 HG13 VAL 22 3HG1 VAL 22 -0.386 4.968 -11.821 126 HG21 VAL 22 3HG2 VAL 22 -2.294 6.877 -9.507 127 HG22 VAL 22 1HG2 VAL 22 -0.835 7.860 -9.369 128 HG23 VAL 22 2HG2 VAL 22 -1.426 7.376 -10.959 129 H ILE 23 H ILE 23 -2.702 5.895 -7.331 130 HA ILE 23 HA ILE 23 -3.924 3.347 -7.066 131 HB ILE 23 HB ILE 23 -5.192 6.085 -6.923 132 HG12 ILE 23 1HG1 ILE 23 -3.303 5.621 -5.316 133 HG13 ILE 23 2HG1 ILE 23 -4.849 5.985 -4.558 134 HG21 ILE 23 1HG2 ILE 23 -6.251 3.622 -5.598 135 HG22 ILE 23 2HG2 ILE 23 -7.088 5.118 -6.007 136 HG23 ILE 23 3HG2 ILE 23 -6.651 3.977 -7.278 137 HD11 ILE 23 3HD1 ILE 23 -3.270 3.930 -3.856 138 HD12 ILE 23 1HD1 ILE 23 -5.019 3.947 -3.637 139 HD13 ILE 23 2HD1 ILE 23 -4.313 3.136 -5.035 140 H GLU 24 H GLU 24 -4.058 2.341 -9.058 141 HA GLU 24 HA GLU 24 -5.141 3.580 -11.375 142 HB2 GLU 24 1HB GLU 24 -3.609 1.564 -11.316 143 HB3 GLU 24 2HB GLU 24 -5.005 0.616 -10.824 144 HG2 GLU 24 1HG GLU 24 -4.869 0.284 -13.118 145 HG3 GLU 24 2HG GLU 24 -6.131 1.502 -12.935 146 H LYS 25 H LYS 25 -6.487 1.527 -8.842 147 HA LYS 25 HA LYS 25 -9.168 2.343 -9.672 148 HB2 LYS 25 1HB LYS 25 -8.323 -0.063 -10.489 149 HB3 LYS 25 2HB LYS 25 -8.862 -0.504 -8.874 150 HG2 LYS 25 1HG LYS 25 -10.713 1.116 -10.521 151 HG3 LYS 25 2HG LYS 25 -10.465 -0.568 -10.991 152 HD2 LYS 25 1HD LYS 25 -11.288 -1.378 -8.959 153 HD3 LYS 25 2HD LYS 25 -11.083 0.177 -8.150 154 HE2 LYS 25 1HE LYS 25 -13.377 0.060 -8.491 155 HE3 LYS 25 2HE LYS 25 -12.822 1.035 -9.851 156 HZ1 LYS 25 3HZ LYS 25 -12.700 -1.605 -10.673 157 HZ2 LYS 25 1HZ LYS 25 -13.799 -0.422 -11.179 158 HZ3 LYS 25 2HZ LYS 25 -14.187 -1.438 -9.884 159 H LEU 26 H LEU 26 -10.763 2.144 -8.005 160 HA LEU 26 HA LEU 26 -9.836 1.469 -5.330 161 HB2 LEU 26 1HB LEU 26 -9.387 3.943 -5.883 162 HB3 LEU 26 2HB LEU 26 -11.136 4.134 -5.773 163 HG LEU 26 HG LEU 26 -10.746 2.988 -3.416 164 HD11 LEU 26 1HD1 LEU 26 -8.415 2.586 -3.559 165 HD12 LEU 26 2HD1 LEU 26 -8.630 3.935 -2.445 166 HD13 LEU 26 3HD1 LEU 26 -8.094 4.234 -4.098 167 HD21 LEU 26 3HD2 LEU 26 -10.311 5.399 -2.557 168 HD22 LEU 26 1HD2 LEU 26 -11.805 5.043 -3.425 169 HD23 LEU 26 2HD2 LEU 26 -10.471 5.845 -4.257 170 H LEU 27 H LEU 27 -11.422 0.662 -4.064 171 HA LEU 27 HA LEU 27 -14.199 0.941 -5.002 172 HB2 LEU 27 1HB LEU 27 -12.964 -1.557 -3.854 173 HB3 LEU 27 2HB LEU 27 -14.626 -1.368 -4.408 174 HG LEU 27 HG LEU 27 -13.476 -0.817 -6.700 175 HD11 LEU 27 1HD1 LEU 27 -11.383 -2.544 -5.390 176 HD12 LEU 27 2HD1 LEU 27 -11.194 -0.826 -5.742 177 HD13 LEU 27 3HD1 LEU 27 -11.403 -1.979 -7.060 178 HD21 LEU 27 3HD2 LEU 27 -14.884 -2.638 -6.706 179 HD22 LEU 27 1HD2 LEU 27 -14.008 -3.457 -5.412 180 HD23 LEU 27 2HD2 LEU 27 -13.330 -3.404 -7.040 181 H THR 28 H THR 28 -15.602 -0.240 -3.089 182 HA THR 28 HA THR 28 -15.296 1.548 -0.858 183 HB THR 28 HB THR 28 -17.300 -0.642 -1.417 184 HG1 THR 28 1HG THR 28 -17.970 0.987 -2.627 185 HG21 THR 28 3HG2 THR 28 -18.581 0.333 0.479 186 HG22 THR 28 1HG2 THR 28 -17.167 1.304 0.887 187 HG23 THR 28 2HG2 THR 28 -17.084 -0.455 0.978 188 H SER 29 H SER 29 -14.588 -1.791 -1.540 189 HA SER 29 HA SER 29 -14.079 -2.383 1.271 190 HB2 SER 29 1HB SER 29 -13.956 -4.107 -1.213 191 HB3 SER 29 2HB SER 29 -13.569 -4.685 0.408 192 HG SER 29 HG SER 29 -15.648 -4.500 0.991 193 H TYR 30 H TYR 30 -12.346 -2.097 -1.796 194 HA TYR 30 HA TYR 30 -9.929 -1.362 -0.438 195 HB2 TYR 30 1HB TYR 30 -8.629 -3.242 -1.658 196 HB3 TYR 30 2HB TYR 30 -9.470 -3.634 -0.163 197 HD1 TYR 30 1HD TYR 30 -10.860 -3.234 -3.594 198 HD2 TYR 30 2HD TYR 30 -10.013 -5.893 -0.382 199 HE1 TYR 30 1HE TYR 30 -12.084 -5.021 -4.759 200 HE2 TYR 30 2HE TYR 30 -11.234 -7.688 -1.538 201 HH TYR 30 HH TYR 30 -12.202 -8.310 -3.466 202 H GLY 31 H GLY 31 -8.057 -1.488 -2.295 203 HA2 GLY 31 1HA GLY 31 -9.169 -0.648 -4.865 204 HA3 GLY 31 2HA GLY 31 -8.240 0.545 -3.969 205 H PHE 32 H PHE 32 -7.447 -0.188 -6.479 206 HA PHE 32 HA PHE 32 -5.177 -2.004 -6.033 207 HB2 PHE 32 1HB PHE 32 -6.514 -1.122 -8.598 208 HB3 PHE 32 2HB PHE 32 -5.066 -2.121 -8.529 209 HD1 PHE 32 2HD PHE 32 -8.639 -2.000 -7.571 210 HD2 PHE 32 1HD PHE 32 -5.212 -4.437 -8.229 211 HE1 PHE 32 2HE PHE 32 -10.043 -4.014 -7.402 212 HE2 PHE 32 1HE PHE 32 -6.610 -6.455 -8.063 213 HZ PHE 32 HZ PHE 32 -9.029 -6.245 -7.648 214 H ILE 33 H ILE 33 -3.108 -1.429 -6.926 215 HA ILE 33 HA ILE 33 -2.733 1.437 -7.443 216 HB ILE 33 HB ILE 33 -1.113 -0.208 -5.497 217 HG12 ILE 33 1HG1 ILE 33 -2.442 2.397 -4.864 218 HG13 ILE 33 2HG1 ILE 33 -3.416 0.932 -4.910 219 HG21 ILE 33 1HG2 ILE 33 -0.438 2.160 -7.041 220 HG22 ILE 33 2HG2 ILE 33 -0.267 2.407 -5.304 221 HG23 ILE 33 3HG2 ILE 33 0.599 1.091 -6.096 222 HD11 ILE 33 3HD1 ILE 33 -2.854 0.982 -2.708 223 HD12 ILE 33 1HD1 ILE 33 -1.515 0.024 -3.339 224 HD13 ILE 33 2HD1 ILE 33 -1.291 1.742 -3.007 225 H GLN 34 H GLN 34 -1.885 1.572 -9.409 226 HA GLN 34 HA GLN 34 -0.372 -0.589 -10.561 227 HB2 GLN 34 1HB GLN 34 -1.854 0.604 -12.016 228 HB3 GLN 34 2HB GLN 34 -1.136 2.148 -11.578 229 HG2 GLN 34 1HG GLN 34 -0.097 1.847 -13.558 230 HG3 GLN 34 2HG GLN 34 1.039 0.967 -12.537 231 HE21 GLN 34 2HE2 GLN 34 0.333 -2.175 -13.882 232 HE22 GLN 34 1HE2 GLN 34 1.056 -1.286 -12.589 233 H CYS 35 H CYS 35 1.547 -0.802 -9.469 234 HA CYS 35 HA CYS 35 3.236 1.052 -8.443 235 HB2 CYS 35 1HB CYS 35 3.953 -1.458 -9.964 236 HB3 CYS 35 2HB CYS 35 5.114 -0.521 -9.032 237 HG CYS 35 HG CYS 35 4.735 -2.172 -7.076 238 H SER 36 H SER 36 4.646 2.560 -9.143 239 HA SER 36 HA SER 36 4.670 3.112 -12.017 240 HB2 SER 36 1HB SER 36 5.365 4.790 -9.603 241 HB3 SER 36 2HB SER 36 5.691 5.316 -11.254 242 HG SER 36 HG SER 36 3.552 5.424 -11.658 243 H GLU 37 H GLU 37 6.475 1.363 -9.970 244 HA GLU 37 HA GLU 37 9.031 2.129 -11.214 245 HB2 GLU 37 1HB GLU 37 8.704 0.393 -8.771 246 HB3 GLU 37 2HB GLU 37 10.164 1.185 -9.347 247 HG2 GLU 37 1HG GLU 37 8.710 3.355 -8.976 248 HG3 GLU 37 2HG GLU 37 7.864 2.302 -7.845 249 H ARG 38 H ARG 38 6.955 -0.614 -10.399 250 HA ARG 38 HA ARG 38 8.579 -2.334 -12.139 251 HB2 ARG 38 1HB ARG 38 7.670 -4.205 -11.018 252 HB3 ARG 38 2HB ARG 38 8.027 -3.032 -9.757 253 HG2 ARG 38 1HG ARG 38 5.743 -2.468 -9.506 254 HG3 ARG 38 2HG ARG 38 5.299 -3.337 -10.976 255 HD2 ARG 38 1HD ARG 38 6.475 -4.650 -8.533 256 HD3 ARG 38 2HD ARG 38 4.744 -4.525 -8.844 257 HE ARG 38 HE ARG 38 6.249 -5.737 -10.981 258 HH11 ARG 38 2HH1 ARG 38 4.523 -6.272 -8.005 259 HH12 ARG 38 1HH1 ARG 38 4.191 -7.938 -8.345 260 HH21 ARG 38 1HH2 ARG 38 4.929 -8.880 -10.298 261 HH22 ARG 38 2HH2 ARG 38 5.818 -7.930 -11.440 262 H GLN 39 H GLN 39 5.965 -0.377 -12.353 263 HA GLN 39 HA GLN 39 4.149 -0.216 -13.722 264 HB2 GLN 39 1HB GLN 39 5.715 -2.062 -15.526 265 HB3 GLN 39 2HB GLN 39 4.492 -0.892 -16.002 266 HG2 GLN 39 1HG GLN 39 6.334 0.308 -16.521 267 HG3 GLN 39 2HG GLN 39 6.178 0.782 -14.830 268 HE21 GLN 39 2HE2 GLN 39 9.440 -1.136 -16.132 269 HE22 GLN 39 1HE2 GLN 39 8.170 -0.594 -17.169 270 H ALA 40 H ALA 40 3.669 -2.010 -11.758 271 HA ALA 40 HA ALA 40 2.134 -4.102 -13.153 272 HB1 ALA 40 3HB ALA 40 3.475 -4.435 -10.474 273 HB2 ALA 40 1HB ALA 40 2.576 -5.659 -11.372 274 HB3 ALA 40 2HB ALA 40 4.109 -5.052 -12.000 275 H ARG 41 H ARG 41 0.088 -4.543 -12.368 276 HA ARG 41 HA ARG 41 -1.108 -2.428 -10.797 277 HB2 ARG 41 1HB ARG 41 -2.105 -4.667 -12.487 278 HB3 ARG 41 2HB ARG 41 -3.176 -4.054 -11.233 279 HG2 ARG 41 1HG ARG 41 -3.459 -2.040 -12.259 280 HG3 ARG 41 2HG ARG 41 -1.875 -2.089 -13.038 281 HD2 ARG 41 1HD ARG 41 -2.626 -3.348 -14.795 282 HD3 ARG 41 2HD ARG 41 -3.902 -4.108 -13.845 283 HE ARG 41 HE ARG 41 -4.458 -1.365 -14.147 284 HH11 ARG 41 2HH1 ARG 41 -4.373 -4.324 -15.978 285 HH12 ARG 41 1HH1 ARG 41 -5.588 -3.815 -17.104 286 HH21 ARG 41 1HH2 ARG 41 -6.545 -1.744 -16.901 287 HH22 ARG 41 2HH2 ARG 41 -6.058 -0.683 -15.622 288 H LEU 42 H LEU 42 -0.624 -2.611 -8.671 289 HA LEU 42 HA LEU 42 -0.710 -5.181 -7.338 290 HB2 LEU 42 1HB LEU 42 0.122 -2.423 -6.630 291 HB3 LEU 42 2HB LEU 42 -0.382 -3.482 -5.313 292 HG LEU 42 HG LEU 42 1.950 -3.815 -7.183 293 HD11 LEU 42 1HD1 LEU 42 3.162 -3.091 -5.472 294 HD12 LEU 42 2HD1 LEU 42 2.413 -4.255 -4.379 295 HD13 LEU 42 3HD1 LEU 42 1.658 -2.683 -4.646 296 HD21 LEU 42 3HD2 LEU 42 0.439 -5.852 -5.649 297 HD22 LEU 42 1HD2 LEU 42 2.200 -5.940 -5.603 298 HD23 LEU 42 2HD2 LEU 42 1.355 -6.007 -7.149 299 H PHE 43 H PHE 43 -1.898 -5.295 -5.193 300 HA PHE 43 HA PHE 43 -4.525 -3.980 -5.400 301 HB2 PHE 43 1HB PHE 43 -5.202 -6.088 -5.975 302 HB3 PHE 43 2HB PHE 43 -3.851 -6.862 -5.153 303 HD1 PHE 43 2HD PHE 43 -6.300 -4.474 -3.727 304 HD2 PHE 43 1HD PHE 43 -4.916 -8.496 -3.873 305 HE1 PHE 43 2HE PHE 43 -7.778 -5.047 -1.846 306 HE2 PHE 43 1HE PHE 43 -6.393 -9.076 -1.993 307 HZ PHE 43 HZ PHE 43 -7.826 -7.351 -0.976 308 H PHE 44 H PHE 44 -4.543 -2.566 -3.769 309 HA PHE 44 HA PHE 44 -3.427 -3.364 -1.176 310 HB2 PHE 44 1HB PHE 44 -3.022 -1.146 -0.728 311 HB3 PHE 44 2HB PHE 44 -2.916 -1.117 -2.485 312 HD1 PHE 44 1HD PHE 44 -4.703 -0.145 -3.824 313 HD2 PHE 44 2HD PHE 44 -4.840 -0.097 0.430 314 HE1 PHE 44 1HE PHE 44 -6.469 1.566 -3.904 315 HE2 PHE 44 2HE PHE 44 -6.607 1.613 0.357 316 HZ PHE 44 HZ PHE 44 -7.424 2.447 -1.811 317 H HIS 45 H HIS 45 -4.639 -3.439 0.666 318 HA HIS 45 HA HIS 45 -7.532 -3.468 0.290 319 HB2 HIS 45 1HB HIS 45 -5.952 -5.231 1.557 320 HB3 HIS 45 2HB HIS 45 -6.334 -4.175 2.914 321 HD1 HIS 45 1HD HIS 45 -9.250 -3.578 2.490 322 HD2 HIS 45 2HD HIS 45 -7.611 -7.343 1.858 323 HE1 HIS 45 1HE HIS 45 -11.171 -5.190 2.690 324 HE2 HIS 45 2HE HIS 45 -10.140 -7.468 2.388 325 H CYS 46 H CYS 46 -8.952 -2.166 1.371 326 HA CYS 46 HA CYS 46 -8.215 0.412 2.049 327 HB2 CYS 46 1HB CYS 46 -10.432 0.749 2.746 328 HB3 CYS 46 2HB CYS 46 -10.553 -0.546 1.562 329 HG CYS 46 HG CYS 46 -10.698 -0.881 4.963 330 H SER 47 H SER 47 -7.795 -2.433 3.846 331 HA SER 47 HA SER 47 -7.839 -1.201 6.452 332 HB2 SER 47 1HB SER 47 -7.320 -3.927 5.376 333 HB3 SER 47 2HB SER 47 -6.605 -3.527 6.937 334 HG SER 47 HG SER 47 -8.630 -4.350 7.323 335 H GLN 48 H GLN 48 -5.465 -1.963 4.006 336 HA GLN 48 HA GLN 48 -3.141 -1.723 5.573 337 HB2 GLN 48 1HB GLN 48 -3.382 -0.992 2.656 338 HB3 GLN 48 2HB GLN 48 -1.942 -1.531 3.509 339 HG2 GLN 48 1HG GLN 48 -4.397 -3.186 2.966 340 HG3 GLN 48 2HG GLN 48 -2.861 -3.291 2.107 341 HE21 GLN 48 2HE2 GLN 48 -3.243 -5.839 4.892 342 HE22 GLN 48 1HE2 GLN 48 -4.351 -5.284 3.689 343 H TYR 49 H TYR 49 -4.837 0.670 3.559 344 HA TYR 49 HA TYR 49 -3.165 2.835 3.938 345 HB2 TYR 49 1HB TYR 49 -5.142 2.746 2.405 346 HB3 TYR 49 2HB TYR 49 -6.183 2.968 3.806 347 HD1 TYR 49 2HD TYR 49 -2.961 4.614 2.894 348 HD2 TYR 49 1HD TYR 49 -7.132 5.075 3.597 349 HE1 TYR 49 2HE TYR 49 -2.721 7.053 2.680 350 HE2 TYR 49 1HE TYR 49 -6.904 7.515 3.383 351 HH TYR 49 HH TYR 49 -4.944 9.067 2.019 352 H ASN 50 H ASN 50 -2.639 4.078 5.613 353 HA ASN 50 HA ASN 50 -3.831 3.564 8.194 354 HB2 ASN 50 1HB ASN 50 -1.310 4.066 7.554 355 HB3 ASN 50 2HB ASN 50 -1.824 5.736 7.773 356 HD21 ASN 50 2HD2 ASN 50 -0.841 3.571 10.919 357 HD22 ASN 50 1HD2 ASN 50 -0.448 3.199 9.279 358 H GLY 51 H GLY 51 -3.865 6.088 5.769 359 HA2 GLY 51 1HA GLY 51 -5.061 8.089 7.418 360 HA3 GLY 51 2HA GLY 51 -4.971 8.106 5.663 361 H ASN 52 H ASN 52 -6.983 8.529 4.997 362 HA ASN 52 HA ASN 52 -9.112 6.714 5.901 363 HB2 ASN 52 1HB ASN 52 -10.601 8.869 5.464 364 HB3 ASN 52 2HB ASN 52 -9.845 8.576 7.028 365 HD21 ASN 52 2HD2 ASN 52 -9.190 12.007 5.356 366 HD22 ASN 52 1HD2 ASN 52 -10.578 10.989 5.204 367 H LEU 53 H LEU 53 -9.610 5.526 4.180 368 HA LEU 53 HA LEU 53 -9.030 5.845 1.572 369 HB2 LEU 53 1HB LEU 53 -11.278 4.545 2.990 370 HB3 LEU 53 2HB LEU 53 -11.457 4.761 1.250 371 HG LEU 53 HG LEU 53 -10.612 2.542 1.778 372 HD11 LEU 53 1HD1 LEU 53 -8.139 3.388 0.661 373 HD12 LEU 53 2HD1 LEU 53 -9.423 4.405 0.009 374 HD13 LEU 53 3HD1 LEU 53 -9.523 2.651 -0.147 375 HD21 LEU 53 3HD2 LEU 53 -8.897 2.096 3.171 376 HD22 LEU 53 1HD2 LEU 53 -9.299 3.679 3.839 377 HD23 LEU 53 2HD2 LEU 53 -7.982 3.522 2.676 378 H GLN 54 H GLN 54 -11.917 7.176 3.158 379 HA GLN 54 HA GLN 54 -13.269 8.279 1.077 380 HB2 GLN 54 1HB GLN 54 -13.801 10.201 2.701 381 HB3 GLN 54 2HB GLN 54 -14.233 8.568 3.190 382 HG2 GLN 54 1HG GLN 54 -12.412 8.431 4.686 383 HG3 GLN 54 2HG GLN 54 -11.669 9.887 4.026 384 HE21 GLN 54 2HE2 GLN 54 -13.149 10.963 7.146 385 HE22 GLN 54 1HE2 GLN 54 -11.823 10.014 6.577 386 H ASP 55 H ASP 55 -10.391 9.616 2.641 387 HA ASP 55 HA ASP 55 -10.343 11.987 1.048 388 HB2 ASP 55 1HB ASP 55 -9.279 12.064 3.192 389 HB3 ASP 55 2HB ASP 55 -8.271 10.671 2.807 390 H LEU 56 H LEU 56 -8.894 8.800 0.817 391 HA LEU 56 HA LEU 56 -7.041 9.380 -1.233 392 HB2 LEU 56 1HB LEU 56 -7.345 7.288 0.323 393 HB3 LEU 56 2HB LEU 56 -8.332 6.701 -1.013 394 HG LEU 56 HG LEU 56 -6.427 6.827 -2.512 395 HD11 LEU 56 1HD1 LEU 56 -4.157 7.256 -1.416 396 HD12 LEU 56 2HD1 LEU 56 -5.070 8.036 -0.125 397 HD13 LEU 56 3HD1 LEU 56 -5.171 8.654 -1.773 398 HD21 LEU 56 3HD2 LEU 56 -5.016 5.417 -0.436 399 HD22 LEU 56 1HD2 LEU 56 -5.826 4.788 -1.870 400 HD23 LEU 56 2HD2 LEU 56 -6.740 5.046 -0.384 401 H LYS 57 H LYS 57 -7.157 8.520 -3.463 402 HA LYS 57 HA LYS 57 -9.723 8.049 -4.647 403 HB2 LYS 57 1HB LYS 57 -9.533 10.067 -6.187 404 HB3 LYS 57 2HB LYS 57 -10.043 10.385 -4.534 405 HG2 LYS 57 1HG LYS 57 -7.949 11.282 -3.948 406 HG3 LYS 57 2HG LYS 57 -7.183 10.647 -5.406 407 HD2 LYS 57 1HD LYS 57 -8.108 12.271 -6.760 408 HD3 LYS 57 2HD LYS 57 -9.457 12.567 -5.660 409 HE2 LYS 57 1HE LYS 57 -7.938 13.648 -4.083 410 HE3 LYS 57 2HE LYS 57 -6.581 13.333 -5.163 411 HZ1 LYS 57 3HZ LYS 57 -8.023 14.635 -6.852 412 HZ2 LYS 57 1HZ LYS 57 -7.132 15.484 -5.691 413 HZ3 LYS 57 2HZ LYS 57 -8.793 15.245 -5.475 414 H VAL 58 H VAL 58 -9.573 7.668 -6.976 415 HA VAL 58 HA VAL 58 -7.163 6.273 -7.636 416 HB VAL 58 HB VAL 58 -9.578 6.874 -9.349 417 HG11 VAL 58 1HG1 VAL 58 -7.764 4.586 -9.885 418 HG12 VAL 58 2HG1 VAL 58 -8.731 5.552 -11.002 419 HG13 VAL 58 3HG1 VAL 58 -7.221 6.196 -10.356 420 HG21 VAL 58 3HG2 VAL 58 -9.722 5.436 -7.161 421 HG22 VAL 58 1HG2 VAL 58 -10.523 4.904 -8.639 422 HG23 VAL 58 2HG2 VAL 58 -8.974 4.200 -8.174 423 H GLY 59 H GLY 59 -5.395 7.126 -8.499 424 HA2 GLY 59 1HA GLY 59 -4.433 8.275 -10.429 425 HA3 GLY 59 2HA GLY 59 -5.696 9.484 -10.252 426 H ASP 60 H ASP 60 -4.350 8.363 -7.324 427 HA ASP 60 HA ASP 60 -2.652 10.767 -7.165 428 HB2 ASP 60 1HB ASP 60 -4.607 9.614 -5.214 429 HB3 ASP 60 2HB ASP 60 -3.201 10.483 -4.606 430 H ASP 61 H ASP 61 -0.649 10.574 -6.246 431 HA ASP 61 HA ASP 61 0.550 8.001 -6.257 432 HB2 ASP 61 1HB ASP 61 1.464 10.772 -5.612 433 HB3 ASP 61 2HB ASP 61 2.469 9.414 -5.111 434 H VAL 62 H VAL 62 1.318 6.744 -4.574 435 HA VAL 62 HA VAL 62 0.923 7.553 -1.829 436 HB VAL 62 HB VAL 62 -0.389 5.322 -1.444 437 HG11 VAL 62 1HG1 VAL 62 -2.359 7.109 -2.526 438 HG12 VAL 62 2HG1 VAL 62 -1.981 6.749 -0.840 439 HG13 VAL 62 3HG1 VAL 62 -1.104 8.022 -1.689 440 HG21 VAL 62 3HG2 VAL 62 -1.398 4.323 -3.184 441 HG22 VAL 62 1HG2 VAL 62 -1.782 5.856 -3.966 442 HG23 VAL 62 2HG2 VAL 62 -0.179 5.147 -4.155 443 H GLU 63 H GLU 63 2.173 6.402 -0.404 444 HA GLU 63 HA GLU 63 4.057 4.520 -1.621 445 HB2 GLU 63 1HB GLU 63 4.734 6.604 -0.234 446 HB3 GLU 63 2HB GLU 63 4.289 5.631 1.160 447 HG2 GLU 63 1HG GLU 63 5.877 3.868 0.110 448 HG3 GLU 63 2HG GLU 63 6.524 5.247 -0.777 449 H PHE 64 H PHE 64 4.243 2.431 -1.008 450 HA PHE 64 HA PHE 64 2.861 1.474 1.366 451 HB2 PHE 64 1HB PHE 64 1.818 -0.392 -0.049 452 HB3 PHE 64 2HB PHE 64 1.070 1.200 -0.140 453 HD1 PHE 64 1HD PHE 64 1.347 2.590 -2.136 454 HD2 PHE 64 2HD PHE 64 2.906 -1.366 -1.937 455 HE1 PHE 64 1HE PHE 64 1.600 2.570 -4.584 456 HE2 PHE 64 2HE PHE 64 3.163 -1.392 -4.384 457 HZ PHE 64 HZ PHE 64 2.510 0.578 -5.710 458 H GLU 65 H GLU 65 3.167 -1.060 1.431 459 HA GLU 65 HA GLU 65 5.939 -1.632 0.610 460 HB2 GLU 65 1HB GLU 65 6.217 -1.499 2.885 461 HB3 GLU 65 2HB GLU 65 4.562 -1.985 3.225 462 HG2 GLU 65 1HG GLU 65 5.046 -4.212 3.142 463 HG3 GLU 65 2HG GLU 65 6.399 -3.991 2.035 464 H VAL 66 H VAL 66 6.115 -3.284 -0.739 465 HA VAL 66 HA VAL 66 3.891 -4.963 -1.366 466 HB VAL 66 HB VAL 66 6.780 -5.174 -2.226 467 HG11 VAL 66 1HG1 VAL 66 5.559 -7.304 -2.418 468 HG12 VAL 66 2HG1 VAL 66 4.335 -6.495 -3.399 469 HG13 VAL 66 3HG1 VAL 66 5.990 -6.634 -3.991 470 HG21 VAL 66 3HG2 VAL 66 5.658 -3.079 -2.889 471 HG22 VAL 66 1HG2 VAL 66 6.060 -4.097 -4.271 472 HG23 VAL 66 2HG2 VAL 66 4.399 -4.026 -3.682 473 H SER 67 H SER 67 3.300 -6.781 -0.399 474 HA SER 67 HA SER 67 5.339 -8.403 0.961 475 HB2 SER 67 1HB SER 67 3.810 -6.896 2.479 476 HB3 SER 67 2HB SER 67 2.609 -8.150 2.170 477 HG SER 67 HG SER 67 5.159 -8.971 2.936 478 H SER 68 H SER 68 4.147 -10.561 1.709 479 HA SER 68 HA SER 68 2.694 -11.547 -0.659 480 HB2 SER 68 1HB SER 68 4.611 -13.003 1.175 481 HB3 SER 68 2HB SER 68 3.663 -13.783 -0.091 482 HG SER 68 HG SER 68 4.766 -12.594 -1.622 483 H ASP 69 H ASP 69 0.791 -12.563 -0.385 484 HA ASP 69 HA ASP 69 -0.542 -12.361 2.121 485 HB2 ASP 69 1HB ASP 69 -1.567 -12.265 -0.235 486 HB3 ASP 69 2HB ASP 69 -1.495 -14.025 -0.202 487 H ARG 70 H ARG 70 -1.880 -14.414 2.829 488 HA ARG 70 HA ARG 70 0.090 -16.558 3.255 489 HB2 ARG 70 1HB ARG 70 -2.345 -16.025 4.949 490 HB3 ARG 70 2HB ARG 70 -0.946 -17.013 5.346 491 HG2 ARG 70 1HG ARG 70 -0.835 -14.033 4.949 492 HG3 ARG 70 2HG ARG 70 -1.039 -14.818 6.516 493 HD2 ARG 70 1HD ARG 70 1.236 -14.524 6.478 494 HD3 ARG 70 2HD ARG 70 1.101 -16.141 5.787 495 HE ARG 70 HE ARG 70 1.100 -14.007 3.847 496 HH11 ARG 70 2HH1 ARG 70 3.039 -16.229 5.697 497 HH12 ARG 70 1HH1 ARG 70 4.381 -16.173 4.602 498 HH21 ARG 70 1HH2 ARG 70 4.278 -14.861 2.727 499 HH22 ARG 70 2HH2 ARG 70 2.860 -13.925 2.399 500 H ARG 71 H ARG 71 -2.713 -15.833 1.597 501 HA ARG 71 HA ARG 71 -3.545 -18.657 1.523 502 HB2 ARG 71 1HB ARG 71 -5.284 -16.466 0.473 503 HB3 ARG 71 2HB ARG 71 -5.737 -18.015 1.171 504 HG2 ARG 71 1HG ARG 71 -4.813 -17.049 3.372 505 HG3 ARG 71 2HG ARG 71 -4.937 -15.489 2.556 506 HD2 ARG 71 1HD ARG 71 -7.205 -17.451 2.871 507 HD3 ARG 71 2HD ARG 71 -6.930 -16.060 3.919 508 HE ARG 71 HE ARG 71 -7.049 -15.222 1.230 509 HH11 ARG 71 2HH1 ARG 71 -9.081 -16.407 3.796 510 HH12 ARG 71 1HH1 ARG 71 -10.504 -15.607 3.215 511 HH21 ARG 71 1HH2 ARG 71 -10.409 -14.332 1.314 512 HH22 ARG 71 2HH2 ARG 71 -8.915 -14.164 0.455 513 H THR 72 H THR 72 -2.457 -15.935 -0.332 514 HA THR 72 HA THR 72 -2.466 -17.623 -2.747 515 HB THR 72 HB THR 72 -2.843 -15.676 -4.138 516 HG1 THR 72 1HG THR 72 -2.179 -13.864 -3.242 517 HG21 THR 72 3HG2 THR 72 -5.137 -15.014 -3.309 518 HG22 THR 72 1HG2 THR 72 -4.815 -15.996 -1.881 519 HG23 THR 72 2HG2 THR 72 -4.860 -16.747 -3.476 520 H GLY 73 H GLY 73 -0.681 -15.767 -0.548 521 HA2 GLY 73 1HA GLY 73 1.519 -15.114 -0.462 522 HA3 GLY 73 2HA GLY 73 1.808 -16.444 -1.573 523 H LYS 74 H LYS 74 -0.364 -14.126 -2.767 524 HA LYS 74 HA LYS 74 1.465 -13.352 -4.833 525 HB2 LYS 74 1HB LYS 74 -1.284 -12.250 -4.224 526 HB3 LYS 74 2HB LYS 74 -0.395 -12.065 -5.730 527 HG2 LYS 74 1HG LYS 74 -0.959 -14.816 -4.760 528 HG3 LYS 74 2HG LYS 74 -2.284 -13.876 -5.452 529 HD2 LYS 74 1HD LYS 74 -0.892 -13.484 -7.466 530 HD3 LYS 74 2HD LYS 74 0.348 -14.534 -6.776 531 HE2 LYS 74 1HE LYS 74 -0.760 -16.047 -8.077 532 HE3 LYS 74 2HE LYS 74 -1.679 -16.213 -6.582 533 HZ1 LYS 74 3HZ LYS 74 -3.434 -14.969 -7.438 534 HZ2 LYS 74 1HZ LYS 74 -2.971 -15.943 -8.741 535 HZ3 LYS 74 2HZ LYS 74 -2.506 -14.318 -8.693 536 HA PRO 75 HA PRO 75 3.135 -9.659 -3.143 537 HB2 PRO 75 2HB PRO 75 4.466 -9.552 -5.013 538 HB3 PRO 75 1HB PRO 75 3.442 -8.161 -5.386 539 HG2 PRO 75 1HG PRO 75 2.104 -9.375 -6.844 540 HG3 PRO 75 2HG PRO 75 3.658 -10.191 -7.098 541 HD2 PRO 75 1HD PRO 75 1.417 -11.522 -6.364 542 HD3 PRO 75 2HD PRO 75 3.040 -12.029 -5.853 543 H ILE 76 H ILE 76 1.420 -8.861 -1.894 544 HA ILE 76 HA ILE 76 -0.408 -6.992 -3.244 545 HB ILE 76 HB ILE 76 -1.804 -7.141 -1.211 546 HG12 ILE 76 1HG1 ILE 76 -0.194 -9.508 -0.326 547 HG13 ILE 76 2HG1 ILE 76 0.305 -7.893 0.163 548 HG21 ILE 76 1HG2 ILE 76 -2.379 -8.553 -3.050 549 HG22 ILE 76 2HG2 ILE 76 -1.144 -9.729 -2.603 550 HG23 ILE 76 3HG2 ILE 76 -2.555 -9.496 -1.571 551 HD11 ILE 76 3HD1 ILE 76 -1.352 -7.701 1.649 552 HD12 ILE 76 1HD1 ILE 76 -2.533 -8.469 0.587 553 HD13 ILE 76 2HD1 ILE 76 -1.421 -9.460 1.533 554 H ALA 77 H ALA 77 -0.997 -5.032 -1.996 555 HA ALA 77 HA ALA 77 1.417 -3.831 -0.875 556 HB1 ALA 77 3HB ALA 77 -0.976 -2.154 -1.193 557 HB2 ALA 77 1HB ALA 77 0.693 -1.862 -1.684 558 HB3 ALA 77 2HB ALA 77 -0.356 -2.871 -2.680 559 H VAL 78 H VAL 78 1.536 -2.921 1.154 560 HA VAL 78 HA VAL 78 -0.797 -3.111 2.909 561 HB VAL 78 HB VAL 78 0.573 -4.131 4.709 562 HG11 VAL 78 1HG1 VAL 78 -0.235 -5.486 2.227 563 HG12 VAL 78 2HG1 VAL 78 0.847 -6.406 3.275 564 HG13 VAL 78 3HG1 VAL 78 -0.691 -5.809 3.899 565 HG21 VAL 78 3HG2 VAL 78 2.695 -3.577 2.966 566 HG22 VAL 78 1HG2 VAL 78 2.770 -4.408 4.520 567 HG23 VAL 78 2HG2 VAL 78 2.574 -5.335 3.032 568 H LYS 79 H LYS 79 -0.353 -2.050 5.055 569 HA LYS 79 HA LYS 79 0.010 -0.030 6.075 570 HB2 LYS 79 1HB LYS 79 2.866 -0.504 5.222 571 HB3 LYS 79 2HB LYS 79 2.301 0.354 6.649 572 HG2 LYS 79 1HG LYS 79 1.760 -2.566 6.212 573 HG3 LYS 79 2HG LYS 79 3.223 -1.975 7.004 574 HD2 LYS 79 1HD LYS 79 1.899 -2.278 8.840 575 HD3 LYS 79 2HD LYS 79 1.456 -0.617 8.437 576 HE2 LYS 79 1HE LYS 79 -0.364 -1.796 6.960 577 HE3 LYS 79 2HE LYS 79 -0.085 -3.145 8.061 578 HZ1 LYS 79 3HZ LYS 79 -1.279 -2.142 9.617 579 HZ2 LYS 79 1HZ LYS 79 -1.703 -0.953 8.490 580 HZ3 LYS 79 2HZ LYS 79 -0.368 -0.721 9.502 581 H LEU 80 H LEU 80 -1.027 0.543 3.691 582 HA LEU 80 HA LEU 80 0.554 2.122 1.971 583 HB2 LEU 80 1HB LEU 80 -2.003 1.150 1.943 584 HB3 LEU 80 2HB LEU 80 -2.266 2.879 2.160 585 HG LEU 80 HG LEU 80 -0.509 2.903 0.104 586 HD11 LEU 80 1HD1 LEU 80 -2.259 0.717 -0.817 587 HD12 LEU 80 2HD1 LEU 80 -0.943 0.257 0.262 588 HD13 LEU 80 3HD1 LEU 80 -0.592 1.100 -1.247 589 HD21 LEU 80 3HD2 LEU 80 -3.346 3.244 0.491 590 HD22 LEU 80 1HD2 LEU 80 -2.996 2.633 -1.126 591 HD23 LEU 80 2HD2 LEU 80 -2.240 4.124 -0.565 592 H VAL 81 H VAL 81 0.580 4.407 1.698 593 HA VAL 81 HA VAL 81 -0.479 6.115 3.765 594 HB VAL 81 HB VAL 81 1.671 7.053 4.465 595 HG11 VAL 81 1HG1 VAL 81 2.278 5.353 5.990 596 HG12 VAL 81 2HG1 VAL 81 0.558 5.125 5.670 597 HG13 VAL 81 3HG1 VAL 81 1.746 4.077 4.895 598 HG21 VAL 81 3HG2 VAL 81 3.514 5.064 3.764 599 HG22 VAL 81 1HG2 VAL 81 2.650 5.464 2.279 600 HG23 VAL 81 2HG2 VAL 81 3.467 6.732 3.193 601 H LYS 82 H LYS 82 -1.059 7.964 2.845 602 HA LYS 82 HA LYS 82 -0.509 8.553 0.143 603 HB2 LYS 82 1HB LYS 82 -2.438 9.334 1.787 604 HB3 LYS 82 2HB LYS 82 -1.371 10.714 2.011 605 HG2 LYS 82 1HG LYS 82 -1.688 11.484 -0.107 606 HG3 LYS 82 2HG LYS 82 -1.979 9.873 -0.768 607 HD2 LYS 82 1HD LYS 82 -4.197 9.842 -0.025 608 HD3 LYS 82 2HD LYS 82 -3.925 11.156 1.123 609 HE2 LYS 82 1HE LYS 82 -5.032 12.276 -0.542 610 HE3 LYS 82 2HE LYS 82 -3.362 12.512 -1.054 611 HZ1 LYS 82 3HZ LYS 82 -4.004 11.652 -2.985 612 HZ2 LYS 82 1HZ LYS 82 -5.479 11.106 -2.362 613 HZ3 LYS 82 2HZ LYS 82 -4.091 10.151 -2.209 614 H ILE 83 H ILE 83 1.212 9.458 -0.759 615 HA ILE 83 HA ILE 83 3.457 10.302 0.706 616 HB ILE 83 HB ILE 83 2.915 11.158 -2.125 617 HG12 ILE 83 1HG1 ILE 83 3.523 8.426 -1.046 618 HG13 ILE 83 2HG1 ILE 83 2.392 8.893 -2.311 619 HG21 ILE 83 1HG2 ILE 83 5.166 11.433 -2.321 620 HG22 ILE 83 2HG2 ILE 83 4.998 11.749 -0.595 621 HG23 ILE 83 3HG2 ILE 83 5.535 10.165 -1.153 622 HD11 ILE 83 3HD1 ILE 83 4.032 7.914 -3.550 623 HD12 ILE 83 1HD1 ILE 83 4.586 9.588 -3.566 624 HD13 ILE 83 2HD1 ILE 83 5.319 8.427 -2.459 625 H SER 84 H SER 84 1.098 12.211 -1.164 626 HA SER 84 HA SER 84 1.968 14.591 0.339 627 HB2 SER 84 1HB SER 84 2.280 14.645 -2.157 628 HB3 SER 84 2HB SER 84 0.526 14.549 -2.321 629 HG SER 84 HG SER 84 0.840 16.672 -2.297 630 H GLY 85 H GLY 85 0.541 15.634 1.594 631 HA2 GLY 85 1HA GLY 85 -2.175 15.941 1.224 632 HA3 GLY 85 2HA GLY 85 -1.997 14.443 2.126 633 HA PRO 86 HA PRO 86 -0.268 18.014 4.919 634 HB2 PRO 86 2HB PRO 86 0.578 19.722 3.636 635 HB3 PRO 86 1HB PRO 86 -0.909 20.534 4.139 636 HG2 PRO 86 1HG PRO 86 -1.997 20.053 2.146 637 HG3 PRO 86 2HG PRO 86 -0.334 20.224 1.556 638 HD2 PRO 86 1HD PRO 86 -1.811 17.997 1.122 639 HD3 PRO 86 2HD PRO 86 -0.048 17.949 1.325 640 H SER 87 H SER 87 -1.435 18.309 6.716 641 HA SER 87 HA SER 87 -4.338 18.650 6.441 642 HB2 SER 87 1HB SER 87 -4.424 17.827 8.798 643 HB3 SER 87 2HB SER 87 -3.705 16.667 7.681 644 HG SER 87 HG SER 87 -2.339 16.731 9.386 645 H SER 88 H SER 88 -5.401 20.348 7.317 646 HA SER 88 HA SER 88 -3.806 22.606 8.174 647 HB2 SER 88 1HB SER 88 -5.941 23.846 8.104 648 HB3 SER 88 2HB SER 88 -5.649 22.970 6.602 649 HG SER 88 HG SER 88 -7.159 21.475 7.178 650 H GLY 89 H GLY 89 -3.066 22.324 10.222 651 HA2 GLY 89 1HA GLY 89 -3.121 21.824 12.493 652 HA3 GLY 89 2HA GLY 89 -4.382 23.047 12.436 Start of MODEL 3 1 H1 GLY 1 H GLY 1 34.635 4.521 26.095 2 HA2 GLY 1 1HA GLY 1 36.068 4.664 24.117 3 HA3 GLY 1 2HA GLY 1 35.235 3.117 24.116 4 H SER 2 H SER 2 35.999 5.729 22.262 5 HA SER 2 HA SER 2 33.556 5.790 20.694 6 HB2 SER 2 1HB SER 2 34.834 7.871 21.085 7 HB3 SER 2 2HB SER 2 36.204 7.181 20.216 8 HG SER 2 HG SER 2 34.799 8.563 18.944 9 H SER 3 H SER 3 33.201 4.112 19.394 10 HA SER 3 HA SER 3 35.109 3.480 17.330 11 HB2 SER 3 1HB SER 3 34.405 1.451 19.455 12 HB3 SER 3 2HB SER 3 35.061 1.005 17.880 13 HG SER 3 HG SER 3 36.950 1.470 18.643 14 H GLY 4 H GLY 4 34.213 1.797 15.815 15 HA2 GLY 4 1HA GLY 4 31.264 1.992 15.764 16 HA3 GLY 4 2HA GLY 4 32.264 2.071 14.321 17 H SER 5 H SER 5 31.260 0.332 13.322 18 HA SER 5 HA SER 5 32.262 -2.250 14.095 19 HB2 SER 5 1HB SER 5 29.366 -1.548 14.434 20 HB3 SER 5 2HB SER 5 29.817 -3.189 13.972 21 HG SER 5 HG SER 5 31.179 -2.027 16.110 22 H SER 6 H SER 6 33.057 -2.857 12.194 23 HA SER 6 HA SER 6 32.334 -1.972 9.687 24 HB2 SER 6 1HB SER 6 33.637 -4.528 10.603 25 HB3 SER 6 2HB SER 6 33.355 -4.206 8.892 26 HG SER 6 HG SER 6 34.647 -2.381 9.054 27 H GLY 7 H GLY 7 30.927 -2.616 8.101 28 HA2 GLY 7 1HA GLY 7 29.227 -3.830 7.089 29 HA3 GLY 7 2HA GLY 7 29.304 -4.985 8.411 30 H GLY 8 H GLY 8 28.624 -1.486 8.265 31 HA2 GLY 8 1HA GLY 8 26.717 -1.506 10.309 32 HA3 GLY 8 2HA GLY 8 26.861 -0.263 9.076 33 H TYR 9 H TYR 9 25.160 0.007 7.800 34 HA TYR 9 HA TYR 9 23.177 -2.159 7.659 35 HB2 TYR 9 1HB TYR 9 21.618 -0.311 6.922 36 HB3 TYR 9 2HB TYR 9 22.207 -0.182 8.576 37 HD1 TYR 9 2HD TYR 9 22.396 1.240 5.197 38 HD2 TYR 9 1HD TYR 9 23.684 1.610 9.235 39 HE1 TYR 9 2HE TYR 9 23.198 3.517 4.726 40 HE2 TYR 9 1HE TYR 9 24.489 3.888 8.776 41 HH TYR 9 HH TYR 9 24.040 5.707 7.155 42 HA PRO 10 HA PRO 10 21.154 -2.176 6.410 43 HB2 PRO 10 2HB PRO 10 20.097 -2.768 4.458 44 HB3 PRO 10 1HB PRO 10 20.492 -4.402 5.004 45 HG2 PRO 10 1HG PRO 10 22.352 -4.551 3.622 46 HG3 PRO 10 2HG PRO 10 21.304 -3.528 2.621 47 HD2 PRO 10 1HD PRO 10 23.806 -2.785 3.344 48 HD3 PRO 10 2HD PRO 10 22.491 -1.614 3.113 49 H ASN 11 H ASN 11 20.785 -3.642 8.040 50 HA ASN 11 HA ASN 11 22.955 -5.561 8.544 51 HB2 ASN 11 1HB ASN 11 22.628 -3.796 10.251 52 HB3 ASN 11 2HB ASN 11 20.981 -4.367 10.503 53 HD21 ASN 11 2HD2 ASN 11 21.935 -6.675 12.863 54 HD22 ASN 11 1HD2 ASN 11 20.738 -5.629 12.185 55 H GLY 12 H GLY 12 22.397 -7.515 7.797 56 HA2 GLY 12 1HA GLY 12 21.152 -9.521 8.534 57 HA3 GLY 12 2HA GLY 12 19.708 -8.519 8.503 58 H THR 13 H THR 13 19.502 -10.778 7.158 59 HA THR 13 HA THR 13 20.295 -10.424 4.391 60 HB THR 13 HB THR 13 18.555 -12.587 5.590 61 HG1 THR 13 1HG THR 13 20.648 -13.769 5.357 62 HG21 THR 13 3HG2 THR 13 18.248 -13.177 3.459 63 HG22 THR 13 1HG2 THR 13 19.969 -13.552 3.387 64 HG23 THR 13 2HG2 THR 13 19.392 -11.960 2.894 65 H SER 14 H SER 14 17.201 -10.852 6.118 66 HA SER 14 HA SER 14 15.665 -10.051 3.833 67 HB2 SER 14 1HB SER 14 14.812 -11.656 5.527 68 HB3 SER 14 2HB SER 14 14.780 -10.352 6.713 69 HG SER 14 HG SER 14 12.740 -10.606 5.773 70 H ALA 15 H ALA 15 15.142 -8.059 3.231 71 HA ALA 15 HA ALA 15 15.189 -5.907 5.235 72 HB1 ALA 15 3HB ALA 15 17.082 -6.220 3.205 73 HB2 ALA 15 1HB ALA 15 16.011 -4.930 2.655 74 HB3 ALA 15 2HB ALA 15 16.822 -4.799 4.216 75 H ALA 16 H ALA 16 13.924 -4.022 4.647 76 HA ALA 16 HA ALA 16 11.669 -4.734 2.894 77 HB1 ALA 16 3HB ALA 16 10.254 -3.414 4.241 78 HB2 ALA 16 1HB ALA 16 11.254 -4.339 5.362 79 HB3 ALA 16 2HB ALA 16 11.617 -2.641 5.051 80 H LEU 17 H LEU 17 10.510 -2.676 2.051 81 HA LEU 17 HA LEU 17 11.997 -0.330 1.560 82 HB2 LEU 17 1HB LEU 17 13.405 -1.561 0.142 83 HB3 LEU 17 2HB LEU 17 12.058 -2.469 -0.542 84 HG LEU 17 HG LEU 17 13.194 -0.698 -2.004 85 HD11 LEU 17 1HD1 LEU 17 10.706 -1.767 -2.012 86 HD12 LEU 17 2HD1 LEU 17 11.334 -0.691 -3.260 87 HD13 LEU 17 3HD1 LEU 17 10.332 -0.044 -1.960 88 HD21 LEU 17 3HD2 LEU 17 12.381 1.577 -1.735 89 HD22 LEU 17 1HD2 LEU 17 13.264 1.064 -0.297 90 HD23 LEU 17 2HD2 LEU 17 11.501 1.109 -0.279 91 H ARG 18 H ARG 18 10.330 1.025 1.621 92 HA ARG 18 HA ARG 18 7.702 0.338 0.790 93 HB2 ARG 18 1HB ARG 18 8.844 3.086 1.323 94 HB3 ARG 18 2HB ARG 18 7.140 2.654 1.285 95 HG2 ARG 18 1HG ARG 18 9.117 1.512 3.245 96 HG3 ARG 18 2HG ARG 18 8.096 2.916 3.567 97 HD2 ARG 18 1HD ARG 18 6.795 0.428 2.593 98 HD3 ARG 18 2HD ARG 18 7.370 0.465 4.259 99 HE ARG 18 HE ARG 18 5.152 1.946 3.145 100 HH11 ARG 18 2HH1 ARG 18 7.423 1.643 5.765 101 HH12 ARG 18 1HH1 ARG 18 6.440 2.518 6.891 102 HH21 ARG 18 1HH2 ARG 18 4.406 3.346 6.238 103 HH22 ARG 18 2HH2 ARG 18 3.848 3.100 4.618 104 H GLU 19 H GLU 19 6.885 0.323 -1.191 105 HA GLU 19 HA GLU 19 8.351 1.672 -3.338 106 HB2 GLU 19 1HB GLU 19 6.103 -0.337 -3.544 107 HB3 GLU 19 2HB GLU 19 7.099 0.256 -4.865 108 HG2 GLU 19 1HG GLU 19 8.397 -1.092 -2.547 109 HG3 GLU 19 2HG GLU 19 7.581 -2.060 -3.773 110 H THR 20 H THR 20 7.235 2.923 -4.925 111 HA THR 20 HA THR 20 4.702 4.082 -3.957 112 HB THR 20 HB THR 20 5.369 6.252 -4.782 113 HG1 THR 20 1HG THR 20 7.464 4.773 -5.901 114 HG21 THR 20 3HG2 THR 20 6.048 5.985 -2.553 115 HG22 THR 20 1HG2 THR 20 7.489 6.590 -3.370 116 HG23 THR 20 2HG2 THR 20 7.347 4.874 -2.987 117 H GLY 21 H GLY 21 3.104 4.459 -5.441 118 HA2 GLY 21 1HA GLY 21 3.681 4.106 -8.282 119 HA3 GLY 21 2HA GLY 21 2.586 2.943 -7.549 120 H VAL 22 H VAL 22 0.617 3.418 -8.286 121 HA VAL 22 HA VAL 22 -0.534 5.988 -7.617 122 HB VAL 22 HB VAL 22 0.529 6.131 -9.974 123 HG11 VAL 22 1HG1 VAL 22 -0.785 3.852 -10.458 124 HG12 VAL 22 2HG1 VAL 22 -2.002 5.004 -11.009 125 HG13 VAL 22 3HG1 VAL 22 -0.388 5.017 -11.720 126 HG21 VAL 22 3HG2 VAL 22 -2.321 6.885 -9.359 127 HG22 VAL 22 1HG2 VAL 22 -0.872 7.877 -9.192 128 HG23 VAL 22 2HG2 VAL 22 -1.464 7.444 -10.796 129 H ILE 23 H ILE 23 -2.721 5.895 -7.311 130 HA ILE 23 HA ILE 23 -3.895 3.321 -7.010 131 HB ILE 23 HB ILE 23 -5.337 5.970 -6.961 132 HG12 ILE 23 1HG1 ILE 23 -3.244 5.750 -5.467 133 HG13 ILE 23 2HG1 ILE 23 -4.748 6.262 -4.710 134 HG21 ILE 23 1HG2 ILE 23 -7.084 4.597 -6.699 135 HG22 ILE 23 2HG2 ILE 23 -6.056 3.205 -6.363 136 HG23 ILE 23 3HG2 ILE 23 -6.457 4.337 -5.072 137 HD11 ILE 23 3HD1 ILE 23 -3.087 4.148 -3.960 138 HD12 ILE 23 1HD1 ILE 23 -4.673 4.557 -3.307 139 HD13 ILE 23 2HD1 ILE 23 -4.537 3.407 -4.637 140 H GLU 24 H GLU 24 -4.027 2.286 -8.980 141 HA GLU 24 HA GLU 24 -5.062 3.470 -11.335 142 HB2 GLU 24 1HB GLU 24 -3.612 1.506 -11.409 143 HB3 GLU 24 2HB GLU 24 -4.827 0.557 -10.564 144 HG2 GLU 24 1HG GLU 24 -4.786 0.102 -12.969 145 HG3 GLU 24 2HG GLU 24 -6.337 0.746 -12.433 146 H LYS 25 H LYS 25 -6.505 1.417 -8.836 147 HA LYS 25 HA LYS 25 -9.148 2.352 -9.678 148 HB2 LYS 25 1HB LYS 25 -8.371 -0.078 -10.497 149 HB3 LYS 25 2HB LYS 25 -8.950 -0.508 -8.893 150 HG2 LYS 25 1HG LYS 25 -10.722 1.184 -10.551 151 HG3 LYS 25 2HG LYS 25 -10.518 -0.499 -11.041 152 HD2 LYS 25 1HD LYS 25 -11.311 -1.294 -8.948 153 HD3 LYS 25 2HD LYS 25 -11.231 0.317 -8.231 154 HE2 LYS 25 1HE LYS 25 -13.488 0.096 -8.672 155 HE3 LYS 25 2HE LYS 25 -12.917 0.948 -10.105 156 HZ1 LYS 25 3HZ LYS 25 -12.741 -1.876 -10.427 157 HZ2 LYS 25 1HZ LYS 25 -13.532 -0.733 -11.392 158 HZ3 LYS 25 2HZ LYS 25 -14.323 -1.404 -10.055 159 H LEU 26 H LEU 26 -10.772 2.187 -8.032 160 HA LEU 26 HA LEU 26 -9.883 1.488 -5.347 161 HB2 LEU 26 1HB LEU 26 -9.405 3.956 -5.893 162 HB3 LEU 26 2HB LEU 26 -11.152 4.165 -5.808 163 HG LEU 26 HG LEU 26 -10.778 2.995 -3.444 164 HD11 LEU 26 1HD1 LEU 26 -8.710 3.912 -2.428 165 HD12 LEU 26 2HD1 LEU 26 -8.168 4.379 -4.039 166 HD13 LEU 26 3HD1 LEU 26 -8.407 2.676 -3.649 167 HD21 LEU 26 3HD2 LEU 26 -10.143 5.911 -3.810 168 HD22 LEU 26 1HD2 LEU 26 -10.974 5.130 -2.465 169 HD23 LEU 26 2HD2 LEU 26 -11.764 5.252 -4.037 170 H LEU 27 H LEU 27 -11.501 0.753 -4.060 171 HA LEU 27 HA LEU 27 -14.267 1.082 -4.996 172 HB2 LEU 27 1HB LEU 27 -13.051 -1.500 -4.027 173 HB3 LEU 27 2HB LEU 27 -14.735 -1.254 -4.484 174 HG LEU 27 HG LEU 27 -13.609 -0.554 -6.788 175 HD11 LEU 27 1HD1 LEU 27 -11.348 -0.782 -6.393 176 HD12 LEU 27 2HD1 LEU 27 -11.752 -2.341 -7.111 177 HD13 LEU 27 3HD1 LEU 27 -11.561 -2.198 -5.364 178 HD21 LEU 27 3HD2 LEU 27 -15.129 -2.601 -5.943 179 HD22 LEU 27 1HD2 LEU 27 -13.668 -3.479 -6.395 180 HD23 LEU 27 2HD2 LEU 27 -14.496 -2.473 -7.584 181 H THR 28 H THR 28 -15.716 -0.093 -3.157 182 HA THR 28 HA THR 28 -15.325 1.536 -0.829 183 HB THR 28 HB THR 28 -17.401 -0.559 -1.482 184 HG1 THR 28 1HG THR 28 -17.309 2.274 -1.554 185 HG21 THR 28 3HG2 THR 28 -17.046 -0.407 0.954 186 HG22 THR 28 1HG2 THR 28 -18.626 0.210 0.474 187 HG23 THR 28 2HG2 THR 28 -17.325 1.332 0.872 188 H SER 29 H SER 29 -14.734 -1.784 -1.692 189 HA SER 29 HA SER 29 -14.254 -2.566 1.071 190 HB2 SER 29 1HB SER 29 -14.375 -4.024 -1.547 191 HB3 SER 29 2HB SER 29 -13.570 -4.773 -0.168 192 HG SER 29 HG SER 29 -15.478 -4.688 0.972 193 H TYR 30 H TYR 30 -12.454 -2.124 -1.943 194 HA TYR 30 HA TYR 30 -10.064 -1.465 -0.508 195 HB2 TYR 30 1HB TYR 30 -8.751 -3.318 -1.762 196 HB3 TYR 30 2HB TYR 30 -9.620 -3.745 -0.292 197 HD1 TYR 30 1HD TYR 30 -11.026 -3.218 -3.692 198 HD2 TYR 30 2HD TYR 30 -10.098 -6.016 -0.624 199 HE1 TYR 30 1HE TYR 30 -12.243 -4.964 -4.924 200 HE2 TYR 30 2HE TYR 30 -11.312 -7.770 -1.849 201 HH TYR 30 HH TYR 30 -13.422 -7.526 -3.799 202 H GLY 31 H GLY 31 -8.150 -1.569 -2.335 203 HA2 GLY 31 1HA GLY 31 -9.190 -0.644 -4.902 204 HA3 GLY 31 2HA GLY 31 -8.288 0.524 -3.949 205 H PHE 32 H PHE 32 -7.478 -0.231 -6.491 206 HA PHE 32 HA PHE 32 -5.188 -2.009 -6.004 207 HB2 PHE 32 1HB PHE 32 -6.468 -1.122 -8.597 208 HB3 PHE 32 2HB PHE 32 -5.036 -2.139 -8.488 209 HD1 PHE 32 2HD PHE 32 -8.622 -1.972 -7.567 210 HD2 PHE 32 1HD PHE 32 -5.229 -4.450 -8.245 211 HE1 PHE 32 2HE PHE 32 -10.056 -3.966 -7.432 212 HE2 PHE 32 1HE PHE 32 -6.658 -6.449 -8.111 213 HZ PHE 32 HZ PHE 32 -9.074 -6.209 -7.703 214 H ILE 33 H ILE 33 -3.129 -1.419 -7.011 215 HA ILE 33 HA ILE 33 -2.766 1.455 -7.455 216 HB ILE 33 HB ILE 33 -1.163 -0.191 -5.498 217 HG12 ILE 33 1HG1 ILE 33 -2.455 2.434 -4.882 218 HG13 ILE 33 2HG1 ILE 33 -3.461 0.991 -4.947 219 HG21 ILE 33 1HG2 ILE 33 0.517 1.075 -6.374 220 HG22 ILE 33 2HG2 ILE 33 -0.571 2.363 -6.889 221 HG23 ILE 33 3HG2 ILE 33 -0.114 2.221 -5.192 222 HD11 ILE 33 3HD1 ILE 33 -2.932 1.001 -2.741 223 HD12 ILE 33 1HD1 ILE 33 -1.584 0.045 -3.355 224 HD13 ILE 33 2HD1 ILE 33 -1.362 1.759 -3.004 225 H GLN 34 H GLN 34 -1.901 1.614 -9.411 226 HA GLN 34 HA GLN 34 -0.377 -0.530 -10.577 227 HB2 GLN 34 1HB GLN 34 -1.853 0.689 -12.022 228 HB3 GLN 34 2HB GLN 34 -1.120 2.222 -11.568 229 HG2 GLN 34 1HG GLN 34 -0.058 1.941 -13.532 230 HG3 GLN 34 2HG GLN 34 1.043 0.998 -12.529 231 HE21 GLN 34 2HE2 GLN 34 0.135 -2.113 -13.885 232 HE22 GLN 34 1HE2 GLN 34 0.809 -1.301 -12.518 233 H CYS 35 H CYS 35 1.583 -0.799 -9.641 234 HA CYS 35 HA CYS 35 3.258 1.038 -8.512 235 HB2 CYS 35 1HB CYS 35 4.229 -1.267 -10.207 236 HB3 CYS 35 2HB CYS 35 5.062 -0.516 -8.851 237 HG CYS 35 HG CYS 35 2.850 -1.347 -7.095 238 H SER 36 H SER 36 4.680 2.557 -9.173 239 HA SER 36 HA SER 36 4.695 3.188 -12.033 240 HB2 SER 36 1HB SER 36 5.388 4.824 -9.588 241 HB3 SER 36 2HB SER 36 5.660 5.391 -11.235 242 HG SER 36 HG SER 36 3.337 4.924 -11.537 243 H GLU 37 H GLU 37 6.474 1.329 -10.134 244 HA GLU 37 HA GLU 37 9.036 2.171 -11.322 245 HB2 GLU 37 1HB GLU 37 8.643 0.484 -8.847 246 HB3 GLU 37 2HB GLU 37 10.168 1.094 -9.473 247 HG2 GLU 37 1HG GLU 37 8.951 3.418 -9.174 248 HG3 GLU 37 2HG GLU 37 8.023 2.503 -7.987 249 H ARG 38 H ARG 38 6.922 -0.554 -10.608 250 HA ARG 38 HA ARG 38 8.583 -2.271 -12.320 251 HB2 ARG 38 1HB ARG 38 7.455 -4.160 -11.298 252 HB3 ARG 38 2HB ARG 38 8.107 -3.111 -10.047 253 HG2 ARG 38 1HG ARG 38 5.968 -2.265 -9.507 254 HG3 ARG 38 2HG ARG 38 5.246 -2.978 -10.951 255 HD2 ARG 38 1HD ARG 38 6.315 -4.419 -8.531 256 HD3 ARG 38 2HD ARG 38 4.637 -4.322 -9.066 257 HE ARG 38 HE ARG 38 6.019 -5.466 -11.151 258 HH11 ARG 38 2HH1 ARG 38 5.444 -6.202 -7.798 259 HH12 ARG 38 1HH1 ARG 38 5.544 -7.917 -8.022 260 HH21 ARG 38 1HH2 ARG 38 5.949 -8.781 -10.105 261 HH22 ARG 38 2HH2 ARG 38 6.154 -7.722 -11.459 262 H GLN 39 H GLN 39 5.751 -0.452 -12.319 263 HA GLN 39 HA GLN 39 4.051 -0.202 -13.809 264 HB2 GLN 39 1HB GLN 39 5.770 -1.996 -15.530 265 HB3 GLN 39 2HB GLN 39 4.376 -1.086 -16.096 266 HG2 GLN 39 1HG GLN 39 6.556 0.400 -14.738 267 HG3 GLN 39 2HG GLN 39 6.836 -0.188 -16.376 268 HE21 GLN 39 2HE2 GLN 39 4.784 3.152 -15.788 269 HE22 GLN 39 1HE2 GLN 39 5.735 2.350 -14.590 270 H ALA 40 H ALA 40 3.634 -2.055 -11.828 271 HA ALA 40 HA ALA 40 2.023 -4.088 -13.225 272 HB1 ALA 40 3HB ALA 40 2.790 -4.880 -10.545 273 HB2 ALA 40 1HB ALA 40 2.935 -5.757 -12.068 274 HB3 ALA 40 2HB ALA 40 4.189 -4.614 -11.585 275 H ARG 41 H ARG 41 -0.035 -4.422 -12.488 276 HA ARG 41 HA ARG 41 -1.147 -2.354 -10.813 277 HB2 ARG 41 1HB ARG 41 -2.226 -4.519 -12.549 278 HB3 ARG 41 2HB ARG 41 -3.262 -3.913 -11.264 279 HG2 ARG 41 1HG ARG 41 -3.489 -1.853 -12.224 280 HG3 ARG 41 2HG ARG 41 -1.933 -1.947 -13.052 281 HD2 ARG 41 1HD ARG 41 -4.397 -3.532 -13.772 282 HD3 ARG 41 2HD ARG 41 -3.838 -2.082 -14.606 283 HE ARG 41 HE ARG 41 -1.844 -4.131 -14.489 284 HH11 ARG 41 2HH1 ARG 41 -4.655 -3.011 -16.209 285 HH12 ARG 41 1HH1 ARG 41 -4.218 -3.791 -17.694 286 HH21 ARG 41 1HH2 ARG 41 -2.286 -5.014 -17.822 287 HH22 ARG 41 2HH2 ARG 41 -1.257 -5.162 -16.437 288 H LEU 42 H LEU 42 -0.721 -2.583 -8.691 289 HA LEU 42 HA LEU 42 -0.803 -5.191 -7.428 290 HB2 LEU 42 1HB LEU 42 0.055 -2.462 -6.657 291 HB3 LEU 42 2HB LEU 42 -0.469 -3.536 -5.362 292 HG LEU 42 HG LEU 42 1.844 -3.920 -7.252 293 HD11 LEU 42 1HD1 LEU 42 1.622 -2.690 -4.755 294 HD12 LEU 42 2HD1 LEU 42 3.102 -3.155 -5.594 295 HD13 LEU 42 3HD1 LEU 42 2.356 -4.263 -4.443 296 HD21 LEU 42 3HD2 LEU 42 1.206 -6.099 -7.125 297 HD22 LEU 42 1HD2 LEU 42 0.338 -5.873 -5.606 298 HD23 LEU 42 2HD2 LEU 42 2.098 -5.990 -5.606 299 H PHE 43 H PHE 43 -1.967 -5.294 -5.240 300 HA PHE 43 HA PHE 43 -4.602 -3.996 -5.441 301 HB2 PHE 43 1HB PHE 43 -5.281 -6.102 -6.015 302 HB3 PHE 43 2HB PHE 43 -3.920 -6.876 -5.210 303 HD1 PHE 43 2HD PHE 43 -6.471 -4.542 -3.844 304 HD2 PHE 43 1HD PHE 43 -4.859 -8.482 -3.834 305 HE1 PHE 43 2HE PHE 43 -7.930 -5.131 -1.953 306 HE2 PHE 43 1HE PHE 43 -6.317 -9.077 -1.943 307 HZ PHE 43 HZ PHE 43 -7.854 -7.400 -0.999 308 H PHE 44 H PHE 44 -4.608 -2.583 -3.808 309 HA PHE 44 HA PHE 44 -3.489 -3.389 -1.219 310 HB2 PHE 44 1HB PHE 44 -3.080 -1.172 -0.765 311 HB3 PHE 44 2HB PHE 44 -2.970 -1.143 -2.522 312 HD1 PHE 44 1HD PHE 44 -4.723 -0.134 -3.862 313 HD2 PHE 44 2HD PHE 44 -4.925 -0.148 0.389 314 HE1 PHE 44 1HE PHE 44 -6.483 1.583 -3.944 315 HE2 PHE 44 2HE PHE 44 -6.686 1.568 0.314 316 HZ PHE 44 HZ PHE 44 -7.468 2.435 -1.854 317 H HIS 45 H HIS 45 -4.693 -3.445 0.632 318 HA HIS 45 HA HIS 45 -7.589 -3.469 0.261 319 HB2 HIS 45 1HB HIS 45 -6.009 -5.240 1.521 320 HB3 HIS 45 2HB HIS 45 -6.393 -4.189 2.881 321 HD1 HIS 45 1HD HIS 45 -9.310 -3.588 2.445 322 HD2 HIS 45 2HD HIS 45 -7.669 -7.353 1.818 323 HE1 HIS 45 1HE HIS 45 -11.231 -5.199 2.637 324 HE2 HIS 45 2HE HIS 45 -10.200 -7.477 2.338 325 H CYS 46 H CYS 46 -8.988 -2.123 1.289 326 HA CYS 46 HA CYS 46 -8.235 0.433 1.994 327 HB2 CYS 46 1HB CYS 46 -10.503 0.201 1.541 328 HB3 CYS 46 2HB CYS 46 -10.669 -1.215 2.572 329 HG CYS 46 HG CYS 46 -9.841 1.511 4.293 330 H SER 47 H SER 47 -7.909 -2.429 3.811 331 HA SER 47 HA SER 47 -7.936 -1.206 6.411 332 HB2 SER 47 1HB SER 47 -8.451 -3.656 5.879 333 HB3 SER 47 2HB SER 47 -6.708 -3.875 5.725 334 HG SER 47 HG SER 47 -7.282 -4.343 7.827 335 H GLN 48 H GLN 48 -5.534 -1.984 3.990 336 HA GLN 48 HA GLN 48 -3.230 -1.728 5.580 337 HB2 GLN 48 1HB GLN 48 -3.430 -1.016 2.655 338 HB3 GLN 48 2HB GLN 48 -2.006 -1.561 3.531 339 HG2 GLN 48 1HG GLN 48 -4.467 -3.211 2.999 340 HG3 GLN 48 2HG GLN 48 -2.950 -3.310 2.107 341 HE21 GLN 48 2HE2 GLN 48 -3.118 -5.961 4.722 342 HE22 GLN 48 1HE2 GLN 48 -4.160 -5.465 3.436 343 H TYR 49 H TYR 49 -4.892 0.647 3.516 344 HA TYR 49 HA TYR 49 -3.238 2.818 3.872 345 HB2 TYR 49 1HB TYR 49 -5.211 2.747 2.360 346 HB3 TYR 49 2HB TYR 49 -6.260 2.909 3.764 347 HD1 TYR 49 2HD TYR 49 -3.084 4.660 2.883 348 HD2 TYR 49 1HD TYR 49 -7.262 4.995 3.615 349 HE1 TYR 49 2HE TYR 49 -2.910 7.108 2.725 350 HE2 TYR 49 1HE TYR 49 -7.099 7.444 3.458 351 HH TYR 49 HH TYR 49 -3.994 9.039 2.790 352 H ASN 50 H ASN 50 -2.730 4.137 5.502 353 HA ASN 50 HA ASN 50 -3.753 3.588 8.133 354 HB2 ASN 50 1HB ASN 50 -1.341 4.338 7.359 355 HB3 ASN 50 2HB ASN 50 -2.016 5.953 7.559 356 HD21 ASN 50 2HD2 ASN 50 -0.815 3.837 10.724 357 HD22 ASN 50 1HD2 ASN 50 -0.565 3.347 9.086 358 H GLY 51 H GLY 51 -3.954 6.263 5.820 359 HA2 GLY 51 1HA GLY 51 -5.463 7.966 7.545 360 HA3 GLY 51 2HA GLY 51 -5.246 8.170 5.813 361 H ASN 52 H ASN 52 -7.420 8.770 5.545 362 HA ASN 52 HA ASN 52 -9.362 6.591 5.941 363 HB2 ASN 52 1HB ASN 52 -9.611 8.981 7.045 364 HB3 ASN 52 2HB ASN 52 -10.237 9.407 5.454 365 HD21 ASN 52 2HD2 ASN 52 -13.161 8.492 7.376 366 HD22 ASN 52 1HD2 ASN 52 -11.997 9.766 7.281 367 H LEU 53 H LEU 53 -9.776 5.530 4.124 368 HA LEU 53 HA LEU 53 -9.047 5.964 1.596 369 HB2 LEU 53 1HB LEU 53 -11.446 4.704 2.778 370 HB3 LEU 53 2HB LEU 53 -11.499 5.027 1.047 371 HG LEU 53 HG LEU 53 -10.718 2.708 1.879 372 HD11 LEU 53 1HD1 LEU 53 -9.875 2.419 -0.177 373 HD12 LEU 53 2HD1 LEU 53 -8.680 3.700 0.022 374 HD13 LEU 53 3HD1 LEU 53 -10.338 4.103 -0.423 375 HD21 LEU 53 3HD2 LEU 53 -9.047 3.912 3.463 376 HD22 LEU 53 1HD2 LEU 53 -8.037 4.023 2.021 377 HD23 LEU 53 2HD2 LEU 53 -8.545 2.445 2.622 378 H GLN 54 H GLN 54 -11.704 7.604 3.205 379 HA GLN 54 HA GLN 54 -13.058 8.784 1.156 380 HB2 GLN 54 1HB GLN 54 -12.285 9.809 3.869 381 HB3 GLN 54 2HB GLN 54 -13.198 10.825 2.760 382 HG2 GLN 54 1HG GLN 54 -14.052 8.096 3.700 383 HG3 GLN 54 2HG GLN 54 -14.618 9.626 4.370 384 HE21 GLN 54 2HE2 GLN 54 -16.156 8.141 0.942 385 HE22 GLN 54 1HE2 GLN 54 -14.854 7.376 1.780 386 H ASP 55 H ASP 55 -10.064 10.010 2.637 387 HA ASP 55 HA ASP 55 -9.814 12.222 0.875 388 HB2 ASP 55 1HB ASP 55 -8.727 12.092 3.108 389 HB3 ASP 55 2HB ASP 55 -7.648 10.850 2.480 390 H LEU 56 H LEU 56 -8.534 8.936 0.861 391 HA LEU 56 HA LEU 56 -6.771 9.270 -1.323 392 HB2 LEU 56 1HB LEU 56 -7.051 7.342 0.444 393 HB3 LEU 56 2HB LEU 56 -8.104 6.658 -0.792 394 HG LEU 56 HG LEU 56 -6.215 6.708 -2.384 395 HD11 LEU 56 1HD1 LEU 56 -5.089 8.476 -0.587 396 HD12 LEU 56 2HD1 LEU 56 -4.283 7.731 -1.967 397 HD13 LEU 56 3HD1 LEU 56 -4.150 7.000 -0.367 398 HD21 LEU 56 3HD2 LEU 56 -6.438 5.065 -0.002 399 HD22 LEU 56 1HD2 LEU 56 -4.791 5.113 -0.632 400 HD23 LEU 56 2HD2 LEU 56 -6.119 4.599 -1.674 401 H LYS 57 H LYS 57 -6.997 8.625 -3.497 402 HA LYS 57 HA LYS 57 -9.609 7.916 -4.516 403 HB2 LYS 57 1HB LYS 57 -9.513 9.881 -6.160 404 HB3 LYS 57 2HB LYS 57 -10.023 10.226 -4.512 405 HG2 LYS 57 1HG LYS 57 -7.940 11.201 -3.971 406 HG3 LYS 57 2HG LYS 57 -7.191 10.590 -5.448 407 HD2 LYS 57 1HD LYS 57 -9.491 12.535 -5.450 408 HD3 LYS 57 2HD LYS 57 -7.800 13.041 -5.454 409 HE2 LYS 57 1HE LYS 57 -7.457 11.737 -7.526 410 HE3 LYS 57 2HE LYS 57 -9.174 11.340 -7.533 411 HZ1 LYS 57 3HZ LYS 57 -7.868 13.716 -8.414 412 HZ2 LYS 57 1HZ LYS 57 -9.089 14.065 -7.296 413 HZ3 LYS 57 2HZ LYS 57 -9.451 13.193 -8.698 414 H VAL 58 H VAL 58 -9.486 7.892 -7.034 415 HA VAL 58 HA VAL 58 -7.156 6.315 -7.708 416 HB VAL 58 HB VAL 58 -9.679 6.979 -9.217 417 HG11 VAL 58 1HG1 VAL 58 -7.131 6.155 -10.271 418 HG12 VAL 58 2HG1 VAL 58 -8.351 4.911 -10.548 419 HG13 VAL 58 3HG1 VAL 58 -8.620 6.556 -11.125 420 HG21 VAL 58 3HG2 VAL 58 -9.898 5.350 -7.413 421 HG22 VAL 58 1HG2 VAL 58 -10.106 4.580 -8.987 422 HG23 VAL 58 2HG2 VAL 58 -8.589 4.392 -8.107 423 H GLY 59 H GLY 59 -5.355 7.429 -8.174 424 HA2 GLY 59 1HA GLY 59 -4.326 8.498 -10.184 425 HA3 GLY 59 2HA GLY 59 -5.606 9.696 -10.054 426 H ASP 60 H ASP 60 -4.297 8.533 -7.105 427 HA ASP 60 HA ASP 60 -2.681 10.985 -6.852 428 HB2 ASP 60 1HB ASP 60 -4.429 9.632 -4.792 429 HB3 ASP 60 2HB ASP 60 -3.265 10.894 -4.401 430 H ASP 61 H ASP 61 -0.629 10.757 -6.198 431 HA ASP 61 HA ASP 61 0.617 8.250 -6.156 432 HB2 ASP 61 1HB ASP 61 1.447 11.025 -5.427 433 HB3 ASP 61 2HB ASP 61 2.485 9.685 -4.948 434 H VAL 62 H VAL 62 1.265 6.889 -4.546 435 HA VAL 62 HA VAL 62 0.857 7.623 -1.763 436 HB VAL 62 HB VAL 62 -0.357 5.315 -1.492 437 HG11 VAL 62 1HG1 VAL 62 -1.238 8.023 -1.811 438 HG12 VAL 62 2HG1 VAL 62 -2.472 6.916 -2.417 439 HG13 VAL 62 3HG1 VAL 62 -1.879 6.758 -0.763 440 HG21 VAL 62 3HG2 VAL 62 -0.130 5.355 -4.241 441 HG22 VAL 62 1HG2 VAL 62 -1.212 4.326 -3.301 442 HG23 VAL 62 2HG2 VAL 62 -1.799 5.853 -3.960 443 H GLU 63 H GLU 63 1.912 6.230 -0.283 444 HA GLU 63 HA GLU 63 3.969 4.547 -1.544 445 HB2 GLU 63 1HB GLU 63 4.599 6.595 -0.120 446 HB3 GLU 63 2HB GLU 63 4.093 5.630 1.260 447 HG2 GLU 63 1HG GLU 63 5.725 3.860 0.270 448 HG3 GLU 63 2HG GLU 63 6.418 5.250 -0.565 449 H PHE 64 H PHE 64 4.197 2.446 -0.988 450 HA PHE 64 HA PHE 64 2.804 1.386 1.335 451 HB2 PHE 64 1HB PHE 64 1.787 -0.442 -0.103 452 HB3 PHE 64 2HB PHE 64 1.054 1.152 -0.258 453 HD1 PHE 64 1HD PHE 64 1.456 2.510 -2.265 454 HD2 PHE 64 2HD PHE 64 2.911 -1.476 -1.927 455 HE1 PHE 64 1HE PHE 64 1.808 2.435 -4.699 456 HE2 PHE 64 2HE PHE 64 3.267 -1.556 -4.360 457 HZ PHE 64 HZ PHE 64 2.716 0.401 -5.750 458 H GLU 65 H GLU 65 3.172 -1.139 1.332 459 HA GLU 65 HA GLU 65 5.953 -1.639 0.498 460 HB2 GLU 65 1HB GLU 65 6.279 -1.500 2.762 461 HB3 GLU 65 2HB GLU 65 4.635 -1.997 3.139 462 HG2 GLU 65 1HG GLU 65 5.130 -4.248 2.945 463 HG3 GLU 65 2HG GLU 65 6.569 -3.951 1.972 464 H VAL 66 H VAL 66 6.177 -3.327 -0.804 465 HA VAL 66 HA VAL 66 3.973 -5.034 -1.427 466 HB VAL 66 HB VAL 66 6.871 -5.252 -2.257 467 HG11 VAL 66 1HG1 VAL 66 5.415 -6.433 -4.225 468 HG12 VAL 66 2HG1 VAL 66 6.221 -7.299 -2.917 469 HG13 VAL 66 3HG1 VAL 66 4.506 -6.905 -2.790 470 HG21 VAL 66 3HG2 VAL 66 5.913 -3.163 -2.995 471 HG22 VAL 66 1HG2 VAL 66 6.067 -4.252 -4.375 472 HG23 VAL 66 2HG2 VAL 66 4.491 -3.997 -3.624 473 H SER 67 H SER 67 3.354 -6.737 -0.288 474 HA SER 67 HA SER 67 5.408 -8.347 1.075 475 HB2 SER 67 1HB SER 67 2.889 -7.180 2.148 476 HB3 SER 67 2HB SER 67 3.322 -8.801 2.688 477 HG SER 67 HG SER 67 4.248 -7.299 4.071 478 H SER 68 H SER 68 4.490 -10.561 1.695 479 HA SER 68 HA SER 68 3.072 -11.615 -0.650 480 HB2 SER 68 1HB SER 68 3.986 -13.845 0.510 481 HB3 SER 68 2HB SER 68 4.987 -12.873 -0.568 482 HG SER 68 HG SER 68 5.146 -13.223 2.177 483 H ASP 69 H ASP 69 1.092 -12.440 -0.470 484 HA ASP 69 HA ASP 69 -0.382 -12.230 1.930 485 HB2 ASP 69 1HB ASP 69 -1.214 -12.219 -0.524 486 HB3 ASP 69 2HB ASP 69 -1.220 -13.974 -0.371 487 H ARG 70 H ARG 70 -1.744 -14.202 2.688 488 HA ARG 70 HA ARG 70 0.142 -16.400 3.212 489 HB2 ARG 70 1HB ARG 70 -2.272 -15.731 4.884 490 HB3 ARG 70 2HB ARG 70 -0.888 -16.723 5.321 491 HG2 ARG 70 1HG ARG 70 -0.685 -13.776 4.768 492 HG3 ARG 70 2HG ARG 70 -0.982 -14.446 6.373 493 HD2 ARG 70 1HD ARG 70 1.312 -14.207 6.381 494 HD3 ARG 70 2HD ARG 70 1.127 -15.883 5.864 495 HE ARG 70 HE ARG 70 1.286 -13.970 3.710 496 HH11 ARG 70 2HH1 ARG 70 3.053 -16.075 5.847 497 HH12 ARG 70 1HH1 ARG 70 4.428 -16.199 4.800 498 HH21 ARG 70 1HH2 ARG 70 4.448 -15.089 2.796 499 HH22 ARG 70 2HH2 ARG 70 3.090 -14.126 2.323 500 H ARG 71 H ARG 71 -2.387 -15.709 1.297 501 HA ARG 71 HA ARG 71 -3.441 -18.459 1.423 502 HB2 ARG 71 1HB ARG 71 -4.926 -16.032 0.408 503 HB3 ARG 71 2HB ARG 71 -5.571 -17.651 0.641 504 HG2 ARG 71 1HG ARG 71 -4.462 -16.075 2.933 505 HG3 ARG 71 2HG ARG 71 -6.125 -15.863 2.382 506 HD2 ARG 71 1HD ARG 71 -4.854 -18.422 3.346 507 HD3 ARG 71 2HD ARG 71 -6.055 -17.455 4.203 508 HE ARG 71 HE ARG 71 -6.528 -19.309 2.048 509 HH11 ARG 71 2HH1 ARG 71 -7.747 -16.568 3.814 510 HH12 ARG 71 1HH1 ARG 71 -9.401 -16.866 3.391 511 HH21 ARG 71 1HH2 ARG 71 -9.942 -18.656 2.067 512 HH22 ARG 71 2HH2 ARG 71 -8.701 -19.713 1.485 513 H THR 72 H THR 72 -2.796 -15.713 -0.737 514 HA THR 72 HA THR 72 -2.622 -17.590 -2.993 515 HB THR 72 HB THR 72 -2.840 -15.664 -4.465 516 HG1 THR 72 1HG THR 72 -2.291 -13.778 -3.696 517 HG21 THR 72 3HG2 THR 72 -5.119 -14.896 -3.770 518 HG22 THR 72 1HG2 THR 72 -4.889 -15.762 -2.252 519 HG23 THR 72 2HG2 THR 72 -4.915 -16.647 -3.777 520 H GLY 73 H GLY 73 -0.726 -15.741 -0.875 521 HA2 GLY 73 1HA GLY 73 1.530 -15.331 -0.769 522 HA3 GLY 73 2HA GLY 73 1.712 -16.619 -1.952 523 H LYS 74 H LYS 74 -0.292 -14.016 -2.900 524 HA LYS 74 HA LYS 74 1.628 -13.246 -4.927 525 HB2 LYS 74 1HB LYS 74 -1.166 -12.204 -4.423 526 HB3 LYS 74 2HB LYS 74 -0.193 -11.913 -5.859 527 HG2 LYS 74 1HG LYS 74 -0.754 -14.728 -5.098 528 HG3 LYS 74 2HG LYS 74 -2.061 -13.770 -5.798 529 HD2 LYS 74 1HD LYS 74 -0.415 -13.171 -7.647 530 HD3 LYS 74 2HD LYS 74 0.604 -14.463 -7.009 531 HE2 LYS 74 1HE LYS 74 -1.325 -16.020 -7.286 532 HE3 LYS 74 2HE LYS 74 -2.201 -14.715 -8.084 533 HZ1 LYS 74 3HZ LYS 74 0.262 -16.078 -9.006 534 HZ2 LYS 74 1HZ LYS 74 -0.278 -14.621 -9.677 535 HZ3 LYS 74 2HZ LYS 74 -1.240 -16.008 -9.779 536 HA PRO 75 HA PRO 75 3.177 -9.622 -2.990 537 HB2 PRO 75 2HB PRO 75 4.618 -9.438 -4.770 538 HB3 PRO 75 1HB PRO 75 3.612 -8.035 -5.149 539 HG2 PRO 75 1HG PRO 75 2.371 -9.194 -6.733 540 HG3 PRO 75 2HG PRO 75 3.942 -9.995 -6.924 541 HD2 PRO 75 1HD PRO 75 1.667 -11.359 -6.381 542 HD3 PRO 75 2HD PRO 75 3.258 -11.883 -5.792 543 H ILE 76 H ILE 76 1.434 -8.831 -1.804 544 HA ILE 76 HA ILE 76 -0.383 -6.982 -3.190 545 HB ILE 76 HB ILE 76 -1.777 -7.122 -1.134 546 HG12 ILE 76 1HG1 ILE 76 -0.192 -9.525 -0.307 547 HG13 ILE 76 2HG1 ILE 76 0.336 -7.927 0.208 548 HG21 ILE 76 1HG2 ILE 76 -2.524 -9.489 -1.530 549 HG22 ILE 76 2HG2 ILE 76 -2.409 -8.482 -2.973 550 HG23 ILE 76 3HG2 ILE 76 -1.148 -9.662 -2.619 551 HD11 ILE 76 3HD1 ILE 76 -2.506 -8.442 0.646 552 HD12 ILE 76 1HD1 ILE 76 -1.423 -9.505 1.545 553 HD13 ILE 76 2HD1 ILE 76 -1.291 -7.755 1.724 554 H ALA 77 H ALA 77 -1.063 -5.055 -1.869 555 HA ALA 77 HA ALA 77 1.335 -3.773 -0.800 556 HB1 ALA 77 3HB ALA 77 -0.687 -2.893 -2.489 557 HB2 ALA 77 1HB ALA 77 -0.992 -2.065 -0.962 558 HB3 ALA 77 2HB ALA 77 0.578 -1.910 -1.751 559 H VAL 78 H VAL 78 1.437 -2.818 1.221 560 HA VAL 78 HA VAL 78 -0.844 -3.106 3.023 561 HB VAL 78 HB VAL 78 0.571 -4.111 4.790 562 HG11 VAL 78 1HG1 VAL 78 -0.890 -5.410 3.117 563 HG12 VAL 78 2HG1 VAL 78 0.639 -5.921 2.401 564 HG13 VAL 78 3HG1 VAL 78 0.277 -6.311 4.083 565 HG21 VAL 78 3HG2 VAL 78 2.635 -3.624 2.847 566 HG22 VAL 78 1HG2 VAL 78 2.780 -4.084 4.543 567 HG23 VAL 78 2HG2 VAL 78 2.608 -5.327 3.304 568 H LYS 79 H LYS 79 -0.486 -1.980 5.104 569 HA LYS 79 HA LYS 79 -0.149 0.047 6.115 570 HB2 LYS 79 1HB LYS 79 2.720 -0.506 5.346 571 HB3 LYS 79 2HB LYS 79 2.159 0.481 6.689 572 HG2 LYS 79 1HG LYS 79 1.641 -2.472 6.438 573 HG3 LYS 79 2HG LYS 79 2.987 -1.770 7.339 574 HD2 LYS 79 1HD LYS 79 1.635 -0.976 9.004 575 HD3 LYS 79 2HD LYS 79 0.247 -0.781 7.932 576 HE2 LYS 79 1HE LYS 79 -0.180 -3.134 7.949 577 HE3 LYS 79 2HE LYS 79 1.327 -3.455 8.805 578 HZ1 LYS 79 3HZ LYS 79 0.487 -2.570 10.768 579 HZ2 LYS 79 1HZ LYS 79 -0.824 -3.438 10.144 580 HZ3 LYS 79 2HZ LYS 79 -0.775 -1.754 9.993 581 H LEU 80 H LEU 80 -1.122 0.590 3.698 582 HA LEU 80 HA LEU 80 0.502 2.150 2.001 583 HB2 LEU 80 1HB LEU 80 -2.061 1.180 1.930 584 HB3 LEU 80 2HB LEU 80 -2.317 2.916 2.100 585 HG LEU 80 HG LEU 80 -0.496 2.862 0.090 586 HD11 LEU 80 1HD1 LEU 80 -0.660 1.054 -1.276 587 HD12 LEU 80 2HD1 LEU 80 -2.298 0.665 -0.755 588 HD13 LEU 80 3HD1 LEU 80 -0.925 0.250 0.271 589 HD21 LEU 80 3HD2 LEU 80 -2.771 2.790 -1.333 590 HD22 LEU 80 1HD2 LEU 80 -2.263 4.188 -0.385 591 HD23 LEU 80 2HD2 LEU 80 -3.436 3.051 0.280 592 H VAL 81 H VAL 81 0.588 4.418 1.723 593 HA VAL 81 HA VAL 81 -0.577 6.187 3.664 594 HB VAL 81 HB VAL 81 1.687 7.105 4.374 595 HG11 VAL 81 1HG1 VAL 81 1.210 4.329 5.409 596 HG12 VAL 81 2HG1 VAL 81 1.740 5.765 6.289 597 HG13 VAL 81 3HG1 VAL 81 0.073 5.639 5.724 598 HG21 VAL 81 3HG2 VAL 81 2.513 4.747 2.834 599 HG22 VAL 81 1HG2 VAL 81 3.407 6.213 3.237 600 HG23 VAL 81 2HG2 VAL 81 3.283 4.904 4.412 601 H LYS 82 H LYS 82 -1.144 7.884 2.489 602 HA LYS 82 HA LYS 82 -0.269 8.443 -0.091 603 HB2 LYS 82 1HB LYS 82 -2.326 9.319 1.280 604 HB3 LYS 82 2HB LYS 82 -1.245 10.644 1.692 605 HG2 LYS 82 1HG LYS 82 -1.205 11.461 -0.444 606 HG3 LYS 82 2HG LYS 82 -1.550 9.889 -1.170 607 HD2 LYS 82 1HD LYS 82 -3.835 10.035 -0.671 608 HD3 LYS 82 2HD LYS 82 -3.584 11.319 0.514 609 HE2 LYS 82 1HE LYS 82 -2.972 11.690 -2.405 610 HE3 LYS 82 2HE LYS 82 -4.580 11.980 -1.741 611 HZ1 LYS 82 3HZ LYS 82 -2.605 13.274 -0.173 612 HZ2 LYS 82 1HZ LYS 82 -3.930 13.943 -0.986 613 HZ3 LYS 82 2HZ LYS 82 -2.457 13.740 -1.792 614 H ILE 83 H ILE 83 1.467 9.423 -0.911 615 HA ILE 83 HA ILE 83 3.665 10.141 0.699 616 HB ILE 83 HB ILE 83 3.308 11.112 -2.122 617 HG12 ILE 83 1HG1 ILE 83 3.732 8.314 -1.128 618 HG13 ILE 83 2HG1 ILE 83 2.693 8.884 -2.429 619 HG21 ILE 83 1HG2 ILE 83 5.329 11.544 -0.462 620 HG22 ILE 83 2HG2 ILE 83 5.822 9.957 -1.050 621 HG23 ILE 83 3HG2 ILE 83 5.579 11.282 -2.188 622 HD11 ILE 83 3HD1 ILE 83 4.313 7.967 -3.693 623 HD12 ILE 83 1HD1 ILE 83 5.066 9.544 -3.457 624 HD13 ILE 83 2HD1 ILE 83 5.552 8.175 -2.456 625 H SER 84 H SER 84 1.713 12.249 -1.423 626 HA SER 84 HA SER 84 2.728 14.669 -0.490 627 HB2 SER 84 1HB SER 84 1.121 14.087 -2.505 628 HB3 SER 84 2HB SER 84 -0.136 14.503 -1.340 629 HG SER 84 HG SER 84 0.685 16.275 -2.668 630 H GLY 85 H GLY 85 1.284 16.372 0.618 631 HA2 GLY 85 1HA GLY 85 -0.730 16.156 2.309 632 HA3 GLY 85 2HA GLY 85 0.476 15.224 3.183 633 HA PRO 86 HA PRO 86 2.126 19.775 2.990 634 HB2 PRO 86 2HB PRO 86 1.471 20.805 1.043 635 HB3 PRO 86 1HB PRO 86 0.365 21.653 2.129 636 HG2 PRO 86 1HG PRO 86 -1.426 20.279 1.586 637 HG3 PRO 86 2HG PRO 86 -0.561 20.287 0.038 638 HD2 PRO 86 1HD PRO 86 -1.183 18.000 1.347 639 HD3 PRO 86 2HD PRO 86 0.278 18.163 0.352 640 H SER 87 H SER 87 2.076 19.816 5.190 641 HA SER 87 HA SER 87 -0.404 20.246 6.619 642 HB2 SER 87 1HB SER 87 1.014 20.089 8.644 643 HB3 SER 87 2HB SER 87 1.251 18.716 7.563 644 HG SER 87 HG SER 87 3.092 20.316 8.502 645 H SER 88 H SER 88 -0.345 21.916 8.446 646 HA SER 88 HA SER 88 0.649 24.456 7.333 647 HB2 SER 88 1HB SER 88 -1.875 24.083 7.567 648 HB3 SER 88 2HB SER 88 -1.616 24.190 9.309 649 HG SER 88 HG SER 88 -0.549 26.200 7.687 650 H GLY 89 H GLY 89 1.189 26.142 8.937 651 HA2 GLY 89 1HA GLY 89 3.241 25.609 10.567 652 HA3 GLY 89 2HA GLY 89 2.087 26.878 10.952 Start of MODEL 4 1 H1 GLY 1 H GLY 1 2.190 -0.810 19.757 2 HA2 GLY 1 1HA GLY 1 2.435 -0.922 17.462 3 HA3 GLY 1 2HA GLY 1 3.996 -1.690 17.707 4 H SER 2 H SER 2 3.931 -3.449 16.446 5 HA SER 2 HA SER 2 1.533 -5.129 16.467 6 HB2 SER 2 1HB SER 2 2.757 -4.355 14.316 7 HB3 SER 2 2HB SER 2 3.943 -5.594 14.726 8 HG SER 2 HG SER 2 1.270 -6.351 14.784 9 H SER 3 H SER 3 1.609 -7.340 16.935 10 HA SER 3 HA SER 3 3.827 -8.098 18.695 11 HB2 SER 3 1HB SER 3 2.299 -9.805 19.581 12 HB3 SER 3 2HB SER 3 1.561 -8.205 19.654 13 HG SER 3 HG SER 3 0.011 -8.985 18.491 14 H GLY 4 H GLY 4 5.354 -9.381 17.914 15 HA2 GLY 4 1HA GLY 4 4.773 -11.002 15.539 16 HA3 GLY 4 2HA GLY 4 6.372 -10.579 16.133 17 H SER 5 H SER 5 4.156 -13.029 15.861 18 HA SER 5 HA SER 5 4.816 -14.421 18.307 19 HB2 SER 5 1HB SER 5 3.090 -15.014 15.926 20 HB3 SER 5 2HB SER 5 3.544 -16.318 17.022 21 HG SER 5 HG SER 5 2.553 -13.953 18.130 22 H SER 6 H SER 6 7.106 -13.783 16.862 23 HA SER 6 HA SER 6 8.076 -16.471 16.184 24 HB2 SER 6 1HB SER 6 8.474 -13.947 14.575 25 HB3 SER 6 2HB SER 6 9.519 -15.357 14.401 26 HG SER 6 HG SER 6 8.043 -16.001 13.053 27 H GLY 7 H GLY 7 10.541 -16.497 16.117 28 HA2 GLY 7 1HA GLY 7 11.593 -14.699 18.215 29 HA3 GLY 7 2HA GLY 7 11.960 -16.417 18.178 30 H GLY 8 H GLY 8 13.874 -14.299 18.184 31 HA2 GLY 8 1HA GLY 8 15.738 -15.172 16.374 32 HA3 GLY 8 2HA GLY 8 14.866 -13.906 15.523 33 H TYR 9 H TYR 9 17.655 -14.315 16.881 34 HA TYR 9 HA TYR 9 17.828 -11.556 17.796 35 HB2 TYR 9 1HB TYR 9 18.264 -13.944 19.523 36 HB3 TYR 9 2HB TYR 9 19.358 -12.579 19.721 37 HD1 TYR 9 2HD TYR 9 15.764 -13.518 19.750 38 HD2 TYR 9 1HD TYR 9 18.710 -10.701 20.968 39 HE1 TYR 9 2HE TYR 9 14.096 -12.396 21.167 40 HE2 TYR 9 1HE TYR 9 17.051 -9.571 22.390 41 HH TYR 9 HH TYR 9 14.950 -9.533 23.093 42 HA PRO 10 HA PRO 10 19.658 -10.681 19.211 43 HB2 PRO 10 2HB PRO 10 21.782 -9.806 19.254 44 HB3 PRO 10 1HB PRO 10 21.018 -8.498 18.342 45 HG2 PRO 10 1HG PRO 10 21.776 -9.306 16.302 46 HG3 PRO 10 2HG PRO 10 23.117 -9.805 17.350 47 HD2 PRO 10 1HD PRO 10 21.752 -11.555 15.798 48 HD3 PRO 10 2HD PRO 10 22.450 -12.011 17.366 49 H ASN 11 H ASN 11 18.512 -8.599 19.271 50 HA ASN 11 HA ASN 11 16.285 -8.448 17.744 51 HB2 ASN 11 1HB ASN 11 17.857 -6.269 19.097 52 HB3 ASN 11 2HB ASN 11 16.362 -5.908 18.239 53 HD21 ASN 11 2HD2 ASN 11 15.837 -6.654 21.903 54 HD22 ASN 11 1HD2 ASN 11 16.999 -5.681 21.074 55 H GLY 12 H GLY 12 15.644 -7.630 15.803 56 HA2 GLY 12 1HA GLY 12 17.478 -6.029 14.212 57 HA3 GLY 12 2HA GLY 12 17.135 -7.635 13.585 58 H THR 13 H THR 13 16.442 -4.695 12.855 59 HA THR 13 HA THR 13 13.656 -4.392 12.980 60 HB THR 13 HB THR 13 13.938 -2.820 11.052 61 HG1 THR 13 1HG THR 13 16.688 -3.544 11.281 62 HG21 THR 13 3HG2 THR 13 15.475 -2.668 13.587 63 HG22 THR 13 1HG2 THR 13 14.177 -1.637 12.988 64 HG23 THR 13 2HG2 THR 13 15.814 -1.448 12.360 65 H SER 14 H SER 14 12.004 -5.093 11.735 66 HA SER 14 HA SER 14 12.681 -6.930 9.534 67 HB2 SER 14 1HB SER 14 11.544 -7.935 11.545 68 HB3 SER 14 2HB SER 14 10.139 -6.936 11.174 69 HG SER 14 HG SER 14 9.664 -8.196 9.539 70 H ALA 15 H ALA 15 12.596 -4.246 8.964 71 HA ALA 15 HA ALA 15 9.961 -3.716 7.809 72 HB1 ALA 15 3HB ALA 15 10.886 -1.876 9.023 73 HB2 ALA 15 1HB ALA 15 12.399 -1.974 8.122 74 HB3 ALA 15 2HB ALA 15 10.919 -1.468 7.307 75 H ALA 16 H ALA 16 9.795 -2.984 5.582 76 HA ALA 16 HA ALA 16 11.858 -4.181 3.847 77 HB1 ALA 16 3HB ALA 16 9.531 -5.307 4.020 78 HB2 ALA 16 1HB ALA 16 8.996 -3.968 3.004 79 HB3 ALA 16 2HB ALA 16 10.253 -5.063 2.430 80 H LEU 17 H LEU 17 11.646 -3.297 1.525 81 HA LEU 17 HA LEU 17 12.009 -0.460 1.668 82 HB2 LEU 17 1HB LEU 17 13.445 -1.660 0.218 83 HB3 LEU 17 2HB LEU 17 12.088 -2.446 -0.587 84 HG LEU 17 HG LEU 17 13.394 -0.524 -1.772 85 HD11 LEU 17 1HD1 LEU 17 10.697 0.209 -2.238 86 HD12 LEU 17 2HD1 LEU 17 10.741 -1.523 -1.911 87 HD13 LEU 17 3HD1 LEU 17 11.734 -0.844 -3.201 88 HD21 LEU 17 3HD2 LEU 17 11.350 1.261 -0.594 89 HD22 LEU 17 1HD2 LEU 17 12.966 1.625 -1.200 90 HD23 LEU 17 2HD2 LEU 17 12.765 0.905 0.397 91 H ARG 18 H ARG 18 10.441 0.992 1.568 92 HA ARG 18 HA ARG 18 7.780 0.320 0.793 93 HB2 ARG 18 1HB ARG 18 8.983 3.050 1.286 94 HB3 ARG 18 2HB ARG 18 7.268 2.663 1.239 95 HG2 ARG 18 1HG ARG 18 9.189 1.483 3.230 96 HG3 ARG 18 2HG ARG 18 8.227 2.933 3.525 97 HD2 ARG 18 1HD ARG 18 6.890 0.420 2.618 98 HD3 ARG 18 2HD ARG 18 7.360 0.599 4.308 99 HE ARG 18 HE ARG 18 5.233 1.984 2.933 100 HH11 ARG 18 2HH1 ARG 18 7.367 1.953 5.684 101 HH12 ARG 18 1HH1 ARG 18 6.339 2.953 6.656 102 HH21 ARG 18 1HH2 ARG 18 4.352 3.719 5.814 103 HH22 ARG 18 2HH2 ARG 18 3.872 3.302 4.203 104 H GLU 19 H GLU 19 6.845 0.438 -1.143 105 HA GLU 19 HA GLU 19 8.334 1.750 -3.316 106 HB2 GLU 19 1HB GLU 19 6.197 -0.371 -3.560 107 HB3 GLU 19 2HB GLU 19 7.220 0.248 -4.848 108 HG2 GLU 19 1HG GLU 19 9.159 -0.611 -3.329 109 HG3 GLU 19 2HG GLU 19 7.893 -1.614 -2.623 110 H THR 20 H THR 20 7.155 2.922 -4.919 111 HA THR 20 HA THR 20 4.541 3.916 -3.987 112 HB THR 20 HB THR 20 5.076 6.135 -4.733 113 HG1 THR 20 1HG THR 20 7.437 6.379 -5.429 114 HG21 THR 20 3HG2 THR 20 5.838 6.096 -2.584 115 HG22 THR 20 1HG2 THR 20 7.368 6.411 -3.401 116 HG23 THR 20 2HG2 THR 20 6.962 4.773 -2.889 117 H GLY 21 H GLY 21 3.051 4.568 -5.606 118 HA2 GLY 21 1HA GLY 21 3.708 4.072 -8.391 119 HA3 GLY 21 2HA GLY 21 2.556 2.949 -7.684 120 H VAL 22 H VAL 22 0.567 3.440 -8.305 121 HA VAL 22 HA VAL 22 -0.505 6.068 -7.810 122 HB VAL 22 HB VAL 22 0.596 6.112 -10.146 123 HG11 VAL 22 1HG1 VAL 22 -0.239 3.959 -10.918 124 HG12 VAL 22 2HG1 VAL 22 -1.900 4.536 -10.771 125 HG13 VAL 22 3HG1 VAL 22 -0.816 5.261 -11.958 126 HG21 VAL 22 3HG2 VAL 22 -1.200 7.527 -11.022 127 HG22 VAL 22 1HG2 VAL 22 -2.304 6.874 -9.811 128 HG23 VAL 22 2HG2 VAL 22 -0.915 7.838 -9.310 129 H ILE 23 H ILE 23 -2.613 5.947 -7.306 130 HA ILE 23 HA ILE 23 -3.879 3.444 -7.029 131 HB ILE 23 HB ILE 23 -5.274 6.117 -7.035 132 HG12 ILE 23 1HG1 ILE 23 -3.319 6.247 -5.571 133 HG13 ILE 23 2HG1 ILE 23 -4.798 6.206 -4.618 134 HG21 ILE 23 1HG2 ILE 23 -6.702 4.934 -5.329 135 HG22 ILE 23 2HG2 ILE 23 -6.836 4.336 -6.982 136 HG23 ILE 23 3HG2 ILE 23 -5.883 3.444 -5.796 137 HD11 ILE 23 3HD1 ILE 23 -2.583 4.292 -4.759 138 HD12 ILE 23 1HD1 ILE 23 -3.681 4.672 -3.432 139 HD13 ILE 23 2HD1 ILE 23 -4.195 3.578 -4.717 140 H GLU 24 H GLU 24 -3.994 2.398 -9.010 141 HA GLU 24 HA GLU 24 -5.051 3.567 -11.362 142 HB2 GLU 24 1HB GLU 24 -3.584 1.496 -11.189 143 HB3 GLU 24 2HB GLU 24 -5.035 0.621 -10.717 144 HG2 GLU 24 1HG GLU 24 -4.518 0.365 -13.095 145 HG3 GLU 24 2HG GLU 24 -6.082 1.132 -12.827 146 H LYS 25 H LYS 25 -6.478 1.681 -8.750 147 HA LYS 25 HA LYS 25 -9.121 2.574 -9.590 148 HB2 LYS 25 1HB LYS 25 -8.383 0.145 -10.446 149 HB3 LYS 25 2HB LYS 25 -8.941 -0.296 -8.838 150 HG2 LYS 25 1HG LYS 25 -10.715 1.426 -10.469 151 HG3 LYS 25 2HG LYS 25 -10.548 -0.265 -10.946 152 HD2 LYS 25 1HD LYS 25 -11.436 -1.045 -8.941 153 HD3 LYS 25 2HD LYS 25 -11.107 0.468 -8.095 154 HE2 LYS 25 1HE LYS 25 -13.103 0.205 -10.336 155 HE3 LYS 25 2HE LYS 25 -13.524 0.040 -8.632 156 HZ1 LYS 25 3HZ LYS 25 -13.454 2.366 -10.057 157 HZ2 LYS 25 1HZ LYS 25 -12.027 2.418 -9.151 158 HZ3 LYS 25 2HZ LYS 25 -13.517 2.233 -8.372 159 H LEU 26 H LEU 26 -10.712 2.446 -7.922 160 HA LEU 26 HA LEU 26 -9.826 1.665 -5.263 161 HB2 LEU 26 1HB LEU 26 -9.250 4.135 -5.804 162 HB3 LEU 26 2HB LEU 26 -10.981 4.405 -5.611 163 HG LEU 26 HG LEU 26 -9.562 3.002 -3.413 164 HD11 LEU 26 1HD1 LEU 26 -7.990 4.593 -3.290 165 HD12 LEU 26 2HD1 LEU 26 -9.290 5.598 -2.651 166 HD13 LEU 26 3HD1 LEU 26 -8.867 5.686 -4.361 167 HD21 LEU 26 3HD2 LEU 26 -11.712 3.282 -2.777 168 HD22 LEU 26 1HD2 LEU 26 -11.959 4.674 -3.832 169 HD23 LEU 26 2HD2 LEU 26 -11.125 4.873 -2.290 170 H LEU 27 H LEU 27 -11.462 0.956 -3.995 171 HA LEU 27 HA LEU 27 -14.216 1.428 -4.919 172 HB2 LEU 27 1HB LEU 27 -13.172 -1.180 -3.831 173 HB3 LEU 27 2HB LEU 27 -14.798 -0.857 -4.429 174 HG LEU 27 HG LEU 27 -13.542 -0.333 -6.669 175 HD11 LEU 27 1HD1 LEU 27 -11.302 -0.567 -5.557 176 HD12 LEU 27 2HD1 LEU 27 -11.527 -1.536 -7.012 177 HD13 LEU 27 3HD1 LEU 27 -11.630 -2.295 -5.424 178 HD21 LEU 27 3HD2 LEU 27 -13.939 -3.139 -5.634 179 HD22 LEU 27 1HD2 LEU 27 -13.822 -2.669 -7.330 180 HD23 LEU 27 2HD2 LEU 27 -15.180 -2.112 -6.353 181 H THR 28 H THR 28 -15.715 0.352 -3.055 182 HA THR 28 HA THR 28 -15.223 2.002 -0.749 183 HB THR 28 HB THR 28 -17.463 0.061 -1.345 184 HG1 THR 28 1HG THR 28 -17.640 1.818 -2.679 185 HG21 THR 28 3HG2 THR 28 -18.405 1.827 0.525 186 HG22 THR 28 1HG2 THR 28 -16.755 1.544 1.078 187 HG23 THR 28 2HG2 THR 28 -17.859 0.185 0.863 188 H SER 29 H SER 29 -14.615 -1.249 -1.629 189 HA SER 29 HA SER 29 -14.282 -2.056 1.174 190 HB2 SER 29 1HB SER 29 -15.626 -3.504 -0.403 191 HB3 SER 29 2HB SER 29 -14.126 -3.826 -1.273 192 HG SER 29 HG SER 29 -13.940 -5.377 0.139 193 H TYR 30 H TYR 30 -12.561 -1.869 -1.909 194 HA TYR 30 HA TYR 30 -10.056 -1.507 -0.534 195 HB2 TYR 30 1HB TYR 30 -9.104 -3.439 -2.098 196 HB3 TYR 30 2HB TYR 30 -9.707 -3.770 -0.478 197 HD1 TYR 30 1HD TYR 30 -11.012 -3.520 -3.975 198 HD2 TYR 30 2HD TYR 30 -11.163 -5.540 -0.234 199 HE1 TYR 30 1HE TYR 30 -12.628 -5.121 -4.911 200 HE2 TYR 30 2HE TYR 30 -12.778 -7.147 -1.160 201 HH TYR 30 HH TYR 30 -13.692 -7.075 -4.571 202 H GLY 31 H GLY 31 -8.239 -1.712 -2.448 203 HA2 GLY 31 1HA GLY 31 -9.232 -0.590 -4.940 204 HA3 GLY 31 2HA GLY 31 -8.276 0.501 -3.948 205 H PHE 32 H PHE 32 -7.427 -0.081 -6.464 206 HA PHE 32 HA PHE 32 -5.214 -1.979 -6.042 207 HB2 PHE 32 1HB PHE 32 -6.477 -1.073 -8.638 208 HB3 PHE 32 2HB PHE 32 -5.111 -2.176 -8.504 209 HD1 PHE 32 2HD PHE 32 -8.596 -1.807 -7.224 210 HD2 PHE 32 1HD PHE 32 -5.536 -4.427 -8.599 211 HE1 PHE 32 2HE PHE 32 -10.151 -3.705 -7.058 212 HE2 PHE 32 1HE PHE 32 -7.087 -6.329 -8.436 213 HZ PHE 32 HZ PHE 32 -9.398 -5.970 -7.664 214 H ILE 33 H ILE 33 -3.145 -1.423 -6.962 215 HA ILE 33 HA ILE 33 -2.748 1.437 -7.489 216 HB ILE 33 HB ILE 33 -1.080 -0.184 -5.561 217 HG12 ILE 33 1HG1 ILE 33 -2.609 2.308 -4.882 218 HG13 ILE 33 2HG1 ILE 33 -3.424 0.748 -4.886 219 HG21 ILE 33 1HG2 ILE 33 -0.724 2.496 -6.815 220 HG22 ILE 33 2HG2 ILE 33 -0.153 2.234 -5.168 221 HG23 ILE 33 3HG2 ILE 33 0.468 1.239 -6.485 222 HD11 ILE 33 3HD1 ILE 33 -1.311 1.781 -3.071 223 HD12 ILE 33 1HD1 ILE 33 -2.802 0.919 -2.696 224 HD13 ILE 33 2HD1 ILE 33 -1.421 0.045 -3.360 225 H GLN 34 H GLN 34 -1.811 1.608 -9.406 226 HA GLN 34 HA GLN 34 -0.363 -0.591 -10.575 227 HB2 GLN 34 1HB GLN 34 -1.804 0.722 -12.001 228 HB3 GLN 34 2HB GLN 34 -0.952 2.199 -11.572 229 HG2 GLN 34 1HG GLN 34 0.059 1.815 -13.547 230 HG3 GLN 34 2HG GLN 34 1.104 0.814 -12.541 231 HE21 GLN 34 2HE2 GLN 34 0.019 -2.238 -13.873 232 HE22 GLN 34 1HE2 GLN 34 0.798 -1.449 -12.549 233 H CYS 35 H CYS 35 1.536 -0.900 -9.481 234 HA CYS 35 HA CYS 35 3.269 0.869 -8.378 235 HB2 CYS 35 1HB CYS 35 4.008 -1.580 -9.993 236 HB3 CYS 35 2HB CYS 35 5.085 -0.746 -8.879 237 HG CYS 35 HG CYS 35 3.457 -3.278 -8.136 238 H SER 36 H SER 36 4.592 2.446 -9.030 239 HA SER 36 HA SER 36 4.762 2.993 -11.895 240 HB2 SER 36 1HB SER 36 5.310 4.665 -9.443 241 HB3 SER 36 2HB SER 36 5.743 5.201 -11.066 242 HG SER 36 HG SER 36 3.355 4.560 -11.437 243 H GLU 37 H GLU 37 6.432 1.089 -10.017 244 HA GLU 37 HA GLU 37 9.058 1.949 -11.043 245 HB2 GLU 37 1HB GLU 37 8.517 0.224 -8.620 246 HB3 GLU 37 2HB GLU 37 10.088 0.791 -9.170 247 HG2 GLU 37 1HG GLU 37 8.929 3.150 -8.893 248 HG3 GLU 37 2HG GLU 37 7.931 2.249 -7.754 249 H ARG 38 H ARG 38 6.857 -0.745 -10.547 250 HA ARG 38 HA ARG 38 8.573 -2.417 -12.259 251 HB2 ARG 38 1HB ARG 38 7.618 -4.349 -11.244 252 HB3 ARG 38 2HB ARG 38 8.050 -3.250 -9.940 253 HG2 ARG 38 1HG ARG 38 5.770 -2.598 -9.643 254 HG3 ARG 38 2HG ARG 38 5.278 -3.490 -11.084 255 HD2 ARG 38 1HD ARG 38 6.426 -4.692 -8.567 256 HD3 ARG 38 2HD ARG 38 4.726 -4.708 -9.034 257 HE ARG 38 HE ARG 38 6.105 -5.858 -11.127 258 HH11 ARG 38 2HH1 ARG 38 5.632 -6.493 -7.737 259 HH12 ARG 38 1HH1 ARG 38 5.802 -8.210 -7.902 260 HH21 ARG 38 1HH2 ARG 38 6.200 -9.131 -9.961 261 HH22 ARG 38 2HH2 ARG 38 6.330 -8.116 -11.357 262 H GLN 39 H GLN 39 5.825 -0.555 -12.300 263 HA GLN 39 HA GLN 39 4.096 -0.302 -13.756 264 HB2 GLN 39 1HB GLN 39 5.781 -2.130 -15.477 265 HB3 GLN 39 2HB GLN 39 4.395 -1.205 -16.041 266 HG2 GLN 39 1HG GLN 39 6.621 0.243 -14.706 267 HG3 GLN 39 2HG GLN 39 6.850 -0.333 -16.357 268 HE21 GLN 39 2HE2 GLN 39 4.906 3.049 -15.704 269 HE22 GLN 39 1HE2 GLN 39 5.892 2.226 -14.549 270 H ALA 40 H ALA 40 3.764 -2.228 -11.759 271 HA ALA 40 HA ALA 40 2.093 -4.225 -13.143 272 HB1 ALA 40 3HB ALA 40 3.294 -4.666 -10.428 273 HB2 ALA 40 1HB ALA 40 2.610 -5.852 -11.539 274 HB3 ALA 40 2HB ALA 40 4.154 -5.084 -11.909 275 H ARG 41 H ARG 41 0.030 -4.551 -12.403 276 HA ARG 41 HA ARG 41 -1.077 -2.448 -10.760 277 HB2 ARG 41 1HB ARG 41 -2.151 -4.582 -12.527 278 HB3 ARG 41 2HB ARG 41 -3.199 -4.013 -11.234 279 HG2 ARG 41 1HG ARG 41 -3.196 -1.804 -12.075 280 HG3 ARG 41 2HG ARG 41 -1.876 -2.158 -13.192 281 HD2 ARG 41 1HD ARG 41 -4.656 -3.325 -13.300 282 HD3 ARG 41 2HD ARG 41 -4.022 -2.060 -14.354 283 HE ARG 41 HE ARG 41 -2.793 -3.654 -15.503 284 HH11 ARG 41 2HH1 ARG 41 -4.341 -5.059 -12.719 285 HH12 ARG 41 1HH1 ARG 41 -4.041 -6.692 -13.215 286 HH21 ARG 41 1HH2 ARG 41 -2.932 -7.112 -15.175 287 HH22 ARG 41 2HH2 ARG 41 -2.392 -5.799 -16.166 288 H LEU 42 H LEU 42 -0.651 -2.686 -8.636 289 HA LEU 42 HA LEU 42 -0.786 -5.286 -7.367 290 HB2 LEU 42 1HB LEU 42 0.084 -2.562 -6.590 291 HB3 LEU 42 2HB LEU 42 -0.463 -3.631 -5.300 292 HG LEU 42 HG LEU 42 1.879 -4.011 -7.153 293 HD11 LEU 42 1HD1 LEU 42 3.072 -3.223 -5.462 294 HD12 LEU 42 2HD1 LEU 42 2.390 -4.434 -4.377 295 HD13 LEU 42 3HD1 LEU 42 1.577 -2.884 -4.588 296 HD21 LEU 42 3HD2 LEU 42 1.277 -6.192 -7.084 297 HD22 LEU 42 1HD2 LEU 42 0.302 -5.992 -5.628 298 HD23 LEU 42 2HD2 LEU 42 2.057 -6.112 -5.504 299 H PHE 43 H PHE 43 -1.972 -5.361 -5.184 300 HA PHE 43 HA PHE 43 -4.595 -4.047 -5.424 301 HB2 PHE 43 1HB PHE 43 -5.276 -6.153 -6.005 302 HB3 PHE 43 2HB PHE 43 -3.940 -6.933 -5.165 303 HD1 PHE 43 2HD PHE 43 -6.524 -4.576 -3.896 304 HD2 PHE 43 1HD PHE 43 -4.896 -8.507 -3.771 305 HE1 PHE 43 2HE PHE 43 -8.028 -5.136 -2.032 306 HE2 PHE 43 1HE PHE 43 -6.399 -9.074 -1.907 307 HZ PHE 43 HZ PHE 43 -7.966 -7.387 -1.034 308 H PHE 44 H PHE 44 -4.666 -2.650 -3.785 309 HA PHE 44 HA PHE 44 -3.570 -3.453 -1.182 310 HB2 PHE 44 1HB PHE 44 -3.137 -1.242 -0.729 311 HB3 PHE 44 2HB PHE 44 -3.007 -1.215 -2.484 312 HD1 PHE 44 1HD PHE 44 -4.797 -0.252 -3.848 313 HD2 PHE 44 2HD PHE 44 -4.919 -0.129 0.405 314 HE1 PHE 44 1HE PHE 44 -6.535 1.486 -3.952 315 HE2 PHE 44 2HE PHE 44 -6.659 1.608 0.308 316 HZ PHE 44 HZ PHE 44 -7.470 2.417 -1.872 317 H HIS 45 H HIS 45 -4.804 -3.485 0.651 318 HA HIS 45 HA HIS 45 -7.698 -3.431 0.231 319 HB2 HIS 45 1HB HIS 45 -6.187 -5.294 1.455 320 HB3 HIS 45 2HB HIS 45 -6.578 -4.282 2.842 321 HD1 HIS 45 1HD HIS 45 -9.457 -3.596 2.413 322 HD2 HIS 45 2HD HIS 45 -7.917 -7.363 1.580 323 HE1 HIS 45 1HE HIS 45 -11.426 -5.158 2.487 324 HE2 HIS 45 2HE HIS 45 -10.457 -7.444 2.064 325 H CYS 46 H CYS 46 -9.083 -2.137 1.380 326 HA CYS 46 HA CYS 46 -8.299 0.397 2.121 327 HB2 CYS 46 1HB CYS 46 -10.485 0.751 2.837 328 HB3 CYS 46 2HB CYS 46 -10.670 -0.596 1.721 329 HG CYS 46 HG CYS 46 -11.224 -0.462 5.018 330 H SER 47 H SER 47 -7.984 -2.521 3.883 331 HA SER 47 HA SER 47 -7.892 -1.370 6.502 332 HB2 SER 47 1HB SER 47 -8.450 -3.668 6.435 333 HB3 SER 47 2HB SER 47 -7.093 -4.050 5.375 334 HG SER 47 HG SER 47 -6.660 -4.667 7.522 335 H GLN 48 H GLN 48 -5.545 -2.102 4.000 336 HA GLN 48 HA GLN 48 -3.204 -1.828 5.524 337 HB2 GLN 48 1HB GLN 48 -3.524 -1.101 2.611 338 HB3 GLN 48 2HB GLN 48 -2.044 -1.581 3.431 339 HG2 GLN 48 1HG GLN 48 -4.443 -3.311 2.879 340 HG3 GLN 48 2HG GLN 48 -2.864 -3.405 2.101 341 HE21 GLN 48 2HE2 GLN 48 -3.373 -5.877 4.953 342 HE22 GLN 48 1HE2 GLN 48 -4.447 -5.351 3.708 343 H TYR 49 H TYR 49 -4.958 0.557 3.549 344 HA TYR 49 HA TYR 49 -3.310 2.740 3.907 345 HB2 TYR 49 1HB TYR 49 -5.322 2.637 2.422 346 HB3 TYR 49 2HB TYR 49 -6.331 2.835 3.850 347 HD1 TYR 49 2HD TYR 49 -3.144 4.534 2.927 348 HD2 TYR 49 1HD TYR 49 -7.323 4.927 3.625 349 HE1 TYR 49 2HE TYR 49 -2.943 6.977 2.725 350 HE2 TYR 49 1HE TYR 49 -7.133 7.371 3.424 351 HH TYR 49 HH TYR 49 -4.276 9.012 3.587 352 H ASN 50 H ASN 50 -2.894 4.154 5.506 353 HA ASN 50 HA ASN 50 -3.901 3.534 8.150 354 HB2 ASN 50 1HB ASN 50 -1.461 4.234 7.401 355 HB3 ASN 50 2HB ASN 50 -2.098 5.860 7.628 356 HD21 ASN 50 2HD2 ASN 50 -0.980 3.646 10.759 357 HD22 ASN 50 1HD2 ASN 50 -0.736 3.178 9.114 358 H GLY 51 H GLY 51 -4.100 6.155 5.798 359 HA2 GLY 51 1HA GLY 51 -5.532 7.929 7.533 360 HA3 GLY 51 2HA GLY 51 -5.327 8.110 5.798 361 H ASN 52 H ASN 52 -7.454 8.700 5.419 362 HA ASN 52 HA ASN 52 -9.465 6.611 5.939 363 HB2 ASN 52 1HB ASN 52 -9.793 8.888 7.025 364 HB3 ASN 52 2HB ASN 52 -10.050 9.523 5.402 365 HD21 ASN 52 2HD2 ASN 52 -13.387 8.898 6.581 366 HD22 ASN 52 1HD2 ASN 52 -12.091 10.024 6.773 367 H LEU 53 H LEU 53 -10.057 5.503 4.206 368 HA LEU 53 HA LEU 53 -9.247 5.880 1.623 369 HB2 LEU 53 1HB LEU 53 -11.488 4.441 2.902 370 HB3 LEU 53 2HB LEU 53 -11.620 4.708 1.165 371 HG LEU 53 HG LEU 53 -10.655 2.492 1.872 372 HD11 LEU 53 1HD1 LEU 53 -10.056 2.639 -0.266 373 HD12 LEU 53 2HD1 LEU 53 -8.477 3.168 0.314 374 HD13 LEU 53 3HD1 LEU 53 -9.698 4.361 -0.130 375 HD21 LEU 53 3HD2 LEU 53 -9.119 3.989 3.562 376 HD22 LEU 53 1HD2 LEU 53 -7.997 3.654 2.243 377 HD23 LEU 53 2HD2 LEU 53 -8.784 2.322 3.090 378 H GLN 54 H GLN 54 -12.042 7.294 3.223 379 HA GLN 54 HA GLN 54 -13.486 8.295 1.123 380 HB2 GLN 54 1HB GLN 54 -12.873 9.583 3.784 381 HB3 GLN 54 2HB GLN 54 -14.072 10.205 2.658 382 HG2 GLN 54 1HG GLN 54 -15.222 7.991 2.791 383 HG3 GLN 54 2HG GLN 54 -14.101 7.557 4.080 384 HE21 GLN 54 2HE2 GLN 54 -17.192 10.106 4.752 385 HE22 GLN 54 1HE2 GLN 54 -16.752 9.617 3.155 386 H ASP 55 H ASP 55 -10.536 9.630 2.537 387 HA ASP 55 HA ASP 55 -10.530 11.945 0.840 388 HB2 ASP 55 1HB ASP 55 -8.443 10.741 2.662 389 HB3 ASP 55 2HB ASP 55 -8.183 12.220 1.741 390 H LEU 56 H LEU 56 -9.042 8.764 0.795 391 HA LEU 56 HA LEU 56 -7.180 9.209 -1.260 392 HB2 LEU 56 1HB LEU 56 -7.614 7.171 0.362 393 HB3 LEU 56 2HB LEU 56 -8.538 6.573 -1.014 394 HG LEU 56 HG LEU 56 -6.528 6.683 -2.409 395 HD11 LEU 56 1HD1 LEU 56 -4.569 6.941 -0.332 396 HD12 LEU 56 2HD1 LEU 56 -5.586 8.380 -0.387 397 HD13 LEU 56 3HD1 LEU 56 -4.732 7.848 -1.835 398 HD21 LEU 56 3HD2 LEU 56 -6.500 4.556 -1.715 399 HD22 LEU 56 1HD2 LEU 56 -6.823 5.000 -0.039 400 HD23 LEU 56 2HD2 LEU 56 -5.176 5.066 -0.666 401 H LYS 57 H LYS 57 -7.265 8.910 -3.471 402 HA LYS 57 HA LYS 57 -9.785 8.195 -4.729 403 HB2 LYS 57 1HB LYS 57 -9.639 10.281 -6.188 404 HB3 LYS 57 2HB LYS 57 -10.209 10.507 -4.540 405 HG2 LYS 57 1HG LYS 57 -7.945 11.238 -3.890 406 HG3 LYS 57 2HG LYS 57 -7.442 11.089 -5.575 407 HD2 LYS 57 1HD LYS 57 -9.557 12.647 -5.949 408 HD3 LYS 57 2HD LYS 57 -9.203 13.105 -4.282 409 HE2 LYS 57 1HE LYS 57 -7.896 14.622 -5.374 410 HE3 LYS 57 2HE LYS 57 -6.745 13.294 -5.238 411 HZ1 LYS 57 3HZ LYS 57 -8.095 14.347 -7.593 412 HZ2 LYS 57 1HZ LYS 57 -7.891 12.669 -7.534 413 HZ3 LYS 57 2HZ LYS 57 -6.545 13.688 -7.437 414 H VAL 58 H VAL 58 -9.580 7.651 -6.942 415 HA VAL 58 HA VAL 58 -7.148 6.423 -7.642 416 HB VAL 58 HB VAL 58 -9.517 7.134 -9.376 417 HG11 VAL 58 1HG1 VAL 58 -8.482 6.295 -11.162 418 HG12 VAL 58 2HG1 VAL 58 -6.985 6.409 -10.235 419 HG13 VAL 58 3HG1 VAL 58 -7.897 4.899 -10.259 420 HG21 VAL 58 3HG2 VAL 58 -8.765 4.729 -7.753 421 HG22 VAL 58 1HG2 VAL 58 -10.287 5.620 -7.785 422 HG23 VAL 58 2HG2 VAL 58 -9.841 4.587 -9.143 423 H GLY 59 H GLY 59 -5.381 7.148 -8.652 424 HA2 GLY 59 1HA GLY 59 -4.272 8.432 -10.333 425 HA3 GLY 59 2HA GLY 59 -5.558 9.625 -10.224 426 H ASP 60 H ASP 60 -4.418 8.463 -7.227 427 HA ASP 60 HA ASP 60 -2.866 10.941 -6.863 428 HB2 ASP 60 1HB ASP 60 -4.783 9.487 -5.109 429 HB3 ASP 60 2HB ASP 60 -3.416 10.283 -4.335 430 H ASP 61 H ASP 61 -0.869 10.857 -5.905 431 HA ASP 61 HA ASP 61 0.536 8.374 -6.089 432 HB2 ASP 61 1HB ASP 61 1.239 11.194 -5.437 433 HB3 ASP 61 2HB ASP 61 2.342 9.933 -4.893 434 H VAL 62 H VAL 62 1.152 6.987 -4.522 435 HA VAL 62 HA VAL 62 0.843 7.725 -1.719 436 HB VAL 62 HB VAL 62 -0.318 5.431 -1.371 437 HG11 VAL 62 1HG1 VAL 62 -1.298 8.080 -1.847 438 HG12 VAL 62 2HG1 VAL 62 -2.483 6.897 -2.406 439 HG13 VAL 62 3HG1 VAL 62 -1.905 6.849 -0.739 440 HG21 VAL 62 3HG2 VAL 62 -1.461 4.457 -3.118 441 HG22 VAL 62 1HG2 VAL 62 -1.482 5.941 -4.071 442 HG23 VAL 62 2HG2 VAL 62 0.005 5.004 -3.932 443 H GLU 63 H GLU 63 1.700 6.002 -0.259 444 HA GLU 63 HA GLU 63 3.861 4.496 -1.582 445 HB2 GLU 63 1HB GLU 63 4.543 6.519 -0.184 446 HB3 GLU 63 2HB GLU 63 4.010 5.602 1.217 447 HG2 GLU 63 1HG GLU 63 5.613 3.816 0.588 448 HG3 GLU 63 2HG GLU 63 6.208 4.864 -0.698 449 H PHE 64 H PHE 64 4.084 2.388 -1.082 450 HA PHE 64 HA PHE 64 2.714 1.301 1.255 451 HB2 PHE 64 1HB PHE 64 1.663 -0.489 -0.091 452 HB3 PHE 64 2HB PHE 64 1.050 1.107 -0.510 453 HD1 PHE 64 2HD PHE 64 3.210 -1.660 -1.608 454 HD2 PHE 64 1HD PHE 64 1.366 2.023 -2.679 455 HE1 PHE 64 2HE PHE 64 3.765 -2.073 -3.969 456 HE2 PHE 64 1HE PHE 64 1.917 1.616 -5.042 457 HZ PHE 64 HZ PHE 64 3.119 -0.433 -5.689 458 H GLU 65 H GLU 65 3.149 -1.213 1.266 459 HA GLU 65 HA GLU 65 5.955 -1.647 0.479 460 HB2 GLU 65 1HB GLU 65 6.230 -1.462 2.753 461 HB3 GLU 65 2HB GLU 65 4.607 -2.037 3.105 462 HG2 GLU 65 1HG GLU 65 5.218 -4.277 2.855 463 HG3 GLU 65 2HG GLU 65 6.710 -3.867 2.011 464 H VAL 66 H VAL 66 6.144 -3.260 -0.912 465 HA VAL 66 HA VAL 66 4.021 -5.055 -1.496 466 HB VAL 66 HB VAL 66 6.923 -5.207 -2.326 467 HG11 VAL 66 1HG1 VAL 66 5.079 -7.198 -2.514 468 HG12 VAL 66 2HG1 VAL 66 4.857 -6.366 -4.055 469 HG13 VAL 66 3HG1 VAL 66 6.446 -6.988 -3.608 470 HG21 VAL 66 3HG2 VAL 66 5.815 -3.118 -3.002 471 HG22 VAL 66 1HG2 VAL 66 6.202 -4.140 -4.386 472 HG23 VAL 66 2HG2 VAL 66 4.545 -4.057 -3.787 473 H SER 67 H SER 67 3.442 -6.744 -0.314 474 HA SER 67 HA SER 67 5.543 -8.315 1.024 475 HB2 SER 67 1HB SER 67 3.007 -7.200 2.118 476 HB3 SER 67 2HB SER 67 3.493 -8.805 2.666 477 HG SER 67 HG SER 67 4.296 -6.861 3.860 478 H SER 68 H SER 68 4.514 -10.516 1.764 479 HA SER 68 HA SER 68 3.148 -11.620 -0.597 480 HB2 SER 68 1HB SER 68 4.087 -13.836 0.412 481 HB3 SER 68 2HB SER 68 5.183 -12.752 -0.445 482 HG SER 68 HG SER 68 4.870 -12.344 2.290 483 H ASP 69 H ASP 69 1.178 -12.461 -0.391 484 HA ASP 69 HA ASP 69 -0.266 -12.250 2.033 485 HB2 ASP 69 1HB ASP 69 -1.065 -12.303 -0.483 486 HB3 ASP 69 2HB ASP 69 -1.209 -14.031 -0.175 487 H ARG 70 H ARG 70 -1.487 -14.105 3.008 488 HA ARG 70 HA ARG 70 0.364 -16.348 3.410 489 HB2 ARG 70 1HB ARG 70 -2.000 -15.663 5.148 490 HB3 ARG 70 2HB ARG 70 -0.608 -16.658 5.551 491 HG2 ARG 70 1HG ARG 70 -0.421 -13.712 4.983 492 HG3 ARG 70 2HG ARG 70 -0.651 -14.384 6.599 493 HD2 ARG 70 1HD ARG 70 1.635 -14.170 6.538 494 HD3 ARG 70 2HD ARG 70 1.440 -15.826 5.966 495 HE ARG 70 HE ARG 70 1.507 -13.844 3.874 496 HH11 ARG 70 2HH1 ARG 70 3.379 -15.979 5.889 497 HH12 ARG 70 1HH1 ARG 70 4.721 -16.047 4.796 498 HH21 ARG 70 1HH2 ARG 70 4.657 -14.878 2.826 499 HH22 ARG 70 2HH2 ARG 70 3.268 -13.926 2.426 500 H ARG 71 H ARG 71 -2.234 -15.662 1.579 501 HA ARG 71 HA ARG 71 -3.278 -18.413 1.747 502 HB2 ARG 71 1HB ARG 71 -4.844 -16.081 0.665 503 HB3 ARG 71 2HB ARG 71 -5.439 -17.657 1.169 504 HG2 ARG 71 1HG ARG 71 -4.161 -15.788 3.129 505 HG3 ARG 71 2HG ARG 71 -5.865 -15.642 2.694 506 HD2 ARG 71 1HD ARG 71 -4.531 -18.100 3.823 507 HD3 ARG 71 2HD ARG 71 -5.565 -16.985 4.716 508 HE ARG 71 HE ARG 71 -6.861 -18.067 2.411 509 HH11 ARG 71 2HH1 ARG 71 -6.011 -18.705 5.726 510 HH12 ARG 71 1HH1 ARG 71 -7.310 -19.823 5.981 511 HH21 ARG 71 1HH2 ARG 71 -8.767 -20.296 4.278 512 HH22 ARG 71 2HH2 ARG 71 -8.575 -19.537 2.734 513 H THR 72 H THR 72 -2.399 -15.733 -0.364 514 HA THR 72 HA THR 72 -2.368 -17.609 -2.638 515 HB THR 72 HB THR 72 -2.776 -15.801 -4.139 516 HG1 THR 72 1HG THR 72 -2.919 -13.636 -3.351 517 HG21 THR 72 3HG2 THR 72 -4.556 -15.615 -1.710 518 HG22 THR 72 1HG2 THR 72 -4.800 -16.614 -3.142 519 HG23 THR 72 2HG2 THR 72 -4.924 -14.858 -3.259 520 H GLY 73 H GLY 73 -0.472 -15.739 -0.561 521 HA2 GLY 73 1HA GLY 73 1.770 -15.252 -0.508 522 HA3 GLY 73 2HA GLY 73 1.962 -16.546 -1.682 523 H LYS 74 H LYS 74 -0.157 -14.202 -2.818 524 HA LYS 74 HA LYS 74 1.710 -13.349 -4.821 525 HB2 LYS 74 1HB LYS 74 -1.062 -12.275 -4.286 526 HB3 LYS 74 2HB LYS 74 -0.142 -12.134 -5.778 527 HG2 LYS 74 1HG LYS 74 -0.747 -14.853 -4.742 528 HG3 LYS 74 2HG LYS 74 -2.042 -13.926 -5.502 529 HD2 LYS 74 1HD LYS 74 -1.019 -13.932 -7.563 530 HD3 LYS 74 2HD LYS 74 0.597 -14.120 -6.879 531 HE2 LYS 74 1HE LYS 74 -0.398 -16.441 -6.095 532 HE3 LYS 74 2HE LYS 74 -1.480 -16.170 -7.461 533 HZ1 LYS 74 3HZ LYS 74 0.125 -16.960 -8.747 534 HZ2 LYS 74 1HZ LYS 74 1.231 -17.004 -7.466 535 HZ3 LYS 74 2HZ LYS 74 1.053 -15.593 -8.381 536 HA PRO 75 HA PRO 75 3.241 -9.657 -3.001 537 HB2 PRO 75 2HB PRO 75 4.631 -9.484 -4.823 538 HB3 PRO 75 1HB PRO 75 3.588 -8.108 -5.204 539 HG2 PRO 75 1HG PRO 75 2.327 -9.322 -6.729 540 HG3 PRO 75 2HG PRO 75 3.907 -10.098 -6.946 541 HD2 PRO 75 1HD PRO 75 1.674 -11.493 -6.314 542 HD3 PRO 75 2HD PRO 75 3.290 -11.974 -5.758 543 H ILE 76 H ILE 76 1.575 -8.814 -1.774 544 HA ILE 76 HA ILE 76 -0.303 -7.013 -3.154 545 HB ILE 76 HB ILE 76 -1.734 -7.198 -1.158 546 HG12 ILE 76 1HG1 ILE 76 -0.063 -9.494 -0.201 547 HG13 ILE 76 2HG1 ILE 76 0.363 -7.854 0.276 548 HG21 ILE 76 1HG2 ILE 76 -2.275 -8.649 -2.947 549 HG22 ILE 76 2HG2 ILE 76 -0.954 -9.746 -2.551 550 HG23 ILE 76 3HG2 ILE 76 -2.350 -9.625 -1.480 551 HD11 ILE 76 3HD1 ILE 76 -1.313 -7.726 1.739 552 HD12 ILE 76 1HD1 ILE 76 -2.460 -8.497 0.643 553 HD13 ILE 76 2HD1 ILE 76 -1.359 -9.483 1.605 554 H ALA 77 H ALA 77 -0.952 -5.068 -1.909 555 HA ALA 77 HA ALA 77 1.421 -3.794 -0.796 556 HB1 ALA 77 3HB ALA 77 0.650 -1.936 -1.742 557 HB2 ALA 77 1HB ALA 77 -0.624 -2.918 -2.466 558 HB3 ALA 77 2HB ALA 77 -0.909 -2.094 -0.932 559 H VAL 78 H VAL 78 1.498 -2.803 1.222 560 HA VAL 78 HA VAL 78 -0.765 -3.139 3.032 561 HB VAL 78 HB VAL 78 0.657 -4.142 4.790 562 HG11 VAL 78 1HG1 VAL 78 0.617 -6.399 3.930 563 HG12 VAL 78 2HG1 VAL 78 -0.803 -5.526 3.353 564 HG13 VAL 78 3HG1 VAL 78 0.564 -5.800 2.272 565 HG21 VAL 78 3HG2 VAL 78 2.728 -3.560 2.916 566 HG22 VAL 78 1HG2 VAL 78 2.866 -4.161 4.569 567 HG23 VAL 78 2HG2 VAL 78 2.710 -5.296 3.227 568 H LYS 79 H LYS 79 -0.437 -2.001 5.100 569 HA LYS 79 HA LYS 79 -0.110 0.020 6.122 570 HB2 LYS 79 1HB LYS 79 2.768 -0.479 5.351 571 HB3 LYS 79 2HB LYS 79 2.183 0.464 6.715 572 HG2 LYS 79 1HG LYS 79 1.658 -2.479 6.416 573 HG3 LYS 79 2HG LYS 79 3.067 -1.826 7.254 574 HD2 LYS 79 1HD LYS 79 1.826 -1.027 9.004 575 HD3 LYS 79 2HD LYS 79 0.379 -0.804 8.017 576 HE2 LYS 79 1HE LYS 79 0.027 -3.215 7.970 577 HE3 LYS 79 2HE LYS 79 1.496 -3.460 8.913 578 HZ1 LYS 79 3HZ LYS 79 -0.273 -3.566 10.430 579 HZ2 LYS 79 1HZ LYS 79 -1.038 -2.202 9.784 580 HZ3 LYS 79 2HZ LYS 79 0.401 -2.031 10.658 581 H LEU 80 H LEU 80 -1.094 0.568 3.716 582 HA LEU 80 HA LEU 80 0.509 2.139 2.012 583 HB2 LEU 80 1HB LEU 80 -2.059 1.167 1.970 584 HB3 LEU 80 2HB LEU 80 -2.305 2.906 2.127 585 HG LEU 80 HG LEU 80 -0.500 2.826 0.105 586 HD11 LEU 80 1HD1 LEU 80 -0.771 1.031 -1.303 587 HD12 LEU 80 2HD1 LEU 80 -2.329 0.582 -0.611 588 HD13 LEU 80 3HD1 LEU 80 -0.842 0.243 0.273 589 HD21 LEU 80 3HD2 LEU 80 -2.193 3.677 -1.159 590 HD22 LEU 80 1HD2 LEU 80 -2.941 3.804 0.434 591 HD23 LEU 80 2HD2 LEU 80 -3.354 2.458 -0.629 592 H VAL 81 H VAL 81 0.432 4.444 1.681 593 HA VAL 81 HA VAL 81 -0.655 6.172 3.690 594 HB VAL 81 HB VAL 81 1.578 7.141 4.344 595 HG11 VAL 81 1HG1 VAL 81 1.780 5.756 6.199 596 HG12 VAL 81 2HG1 VAL 81 0.116 5.484 5.679 597 HG13 VAL 81 3HG1 VAL 81 1.369 4.306 5.285 598 HG21 VAL 81 3HG2 VAL 81 3.357 5.149 4.225 599 HG22 VAL 81 1HG2 VAL 81 2.469 4.822 2.737 600 HG23 VAL 81 2HG2 VAL 81 3.232 6.393 2.982 601 H LYS 82 H LYS 82 -1.284 7.896 2.591 602 HA LYS 82 HA LYS 82 -0.534 8.472 -0.040 603 HB2 LYS 82 1HB LYS 82 -2.566 9.274 1.447 604 HB3 LYS 82 2HB LYS 82 -1.520 10.656 1.746 605 HG2 LYS 82 1HG LYS 82 -1.681 11.421 -0.391 606 HG3 LYS 82 2HG LYS 82 -1.918 9.809 -1.069 607 HD2 LYS 82 1HD LYS 82 -4.180 9.795 -0.584 608 HD3 LYS 82 2HD LYS 82 -4.017 11.001 0.695 609 HE2 LYS 82 1HE LYS 82 -3.949 12.763 -0.794 610 HE3 LYS 82 2HE LYS 82 -3.389 11.752 -2.126 611 HZ1 LYS 82 3HZ LYS 82 -6.060 11.269 -1.010 612 HZ2 LYS 82 1HZ LYS 82 -5.493 11.029 -2.586 613 HZ3 LYS 82 2HZ LYS 82 -5.839 12.592 -2.040 614 H ILE 83 H ILE 83 1.192 9.435 -0.882 615 HA ILE 83 HA ILE 83 3.384 10.262 0.663 616 HB ILE 83 HB ILE 83 2.949 11.229 -2.145 617 HG12 ILE 83 1HG1 ILE 83 3.402 8.424 -1.186 618 HG13 ILE 83 2HG1 ILE 83 2.342 9.003 -2.466 619 HG21 ILE 83 1HG2 ILE 83 4.989 11.722 -0.583 620 HG22 ILE 83 2HG2 ILE 83 5.479 10.094 -1.050 621 HG23 ILE 83 3HG2 ILE 83 5.242 11.331 -2.284 622 HD11 ILE 83 3HD1 ILE 83 5.302 8.574 -2.529 623 HD12 ILE 83 1HD1 ILE 83 4.057 7.903 -3.583 624 HD13 ILE 83 2HD1 ILE 83 4.494 9.607 -3.708 625 H SER 84 H SER 84 1.359 12.306 -1.451 626 HA SER 84 HA SER 84 2.055 14.605 0.240 627 HB2 SER 84 1HB SER 84 1.367 14.280 -2.639 628 HB3 SER 84 2HB SER 84 0.877 15.780 -1.852 629 HG SER 84 HG SER 84 3.511 14.720 -1.845 630 H GLY 85 H GLY 85 0.321 16.263 0.522 631 HA2 GLY 85 1HA GLY 85 -2.351 16.031 0.163 632 HA3 GLY 85 2HA GLY 85 -2.055 14.960 1.525 633 HA PRO 86 HA PRO 86 -1.986 19.686 2.615 634 HB2 PRO 86 2HB PRO 86 -3.545 20.600 1.195 635 HB3 PRO 86 1HB PRO 86 -4.608 20.389 2.591 636 HG2 PRO 86 1HG PRO 86 -5.524 18.425 1.757 637 HG3 PRO 86 2HG PRO 86 -5.212 19.289 0.241 638 HD2 PRO 86 1HD PRO 86 -4.229 16.815 0.737 639 HD3 PRO 86 2HD PRO 86 -3.364 18.005 -0.257 640 H SER 87 H SER 87 -2.517 20.460 4.688 641 HA SER 87 HA SER 87 -4.097 18.661 6.389 642 HB2 SER 87 1HB SER 87 -2.439 18.600 8.092 643 HB3 SER 87 2HB SER 87 -1.586 18.254 6.588 644 HG SER 87 HG SER 87 -1.609 20.639 8.099 645 H SER 88 H SER 88 -4.984 21.060 5.277 646 HA SER 88 HA SER 88 -5.232 22.721 7.693 647 HB2 SER 88 1HB SER 88 -5.367 24.720 6.155 648 HB3 SER 88 2HB SER 88 -3.777 23.962 6.245 649 HG SER 88 HG SER 88 -4.053 24.104 4.125 650 H GLY 89 H GLY 89 -7.183 24.159 7.610 651 HA2 GLY 89 1HA GLY 89 -9.497 24.132 7.691 652 HA3 GLY 89 2HA GLY 89 -9.307 24.078 5.944 Start of MODEL 5 1 H1 GLY 1 H GLY 1 40.478 3.606 16.346 2 HA2 GLY 1 1HA GLY 1 41.321 3.438 14.202 3 HA3 GLY 1 2HA GLY 1 42.135 2.034 14.878 4 H SER 2 H SER 2 41.802 1.710 12.364 5 HA SER 2 HA SER 2 39.204 0.647 11.673 6 HB2 SER 2 1HB SER 2 40.064 0.377 9.471 7 HB3 SER 2 2HB SER 2 40.750 1.886 10.071 8 HG SER 2 HG SER 2 42.602 0.501 10.711 9 H SER 3 H SER 3 38.645 -1.471 11.434 10 HA SER 3 HA SER 3 40.681 -3.502 12.042 11 HB2 SER 3 1HB SER 3 39.033 -4.699 13.456 12 HB3 SER 3 2HB SER 3 39.446 -3.114 14.109 13 HG SER 3 HG SER 3 37.408 -2.664 14.010 14 H GLY 4 H GLY 4 40.806 -4.818 10.354 15 HA2 GLY 4 1HA GLY 4 39.297 -4.995 8.139 16 HA3 GLY 4 2HA GLY 4 40.087 -6.407 8.823 17 H SER 5 H SER 5 38.890 -7.877 10.051 18 HA SER 5 HA SER 5 36.161 -7.488 10.723 19 HB2 SER 5 1HB SER 5 35.152 -9.067 9.123 20 HB3 SER 5 2HB SER 5 35.857 -7.679 8.293 21 HG SER 5 HG SER 5 37.781 -9.119 8.089 22 H SER 6 H SER 6 35.767 -8.779 12.391 23 HA SER 6 HA SER 6 37.125 -11.384 12.526 24 HB2 SER 6 1HB SER 6 38.414 -10.036 14.001 25 HB3 SER 6 2HB SER 6 36.976 -9.272 14.678 26 HG SER 6 HG SER 6 37.303 -10.761 16.157 27 H GLY 7 H GLY 7 35.321 -12.579 12.053 28 HA2 GLY 7 1HA GLY 7 33.446 -13.797 12.613 29 HA3 GLY 7 2HA GLY 7 33.470 -13.016 14.187 30 H GLY 8 H GLY 8 31.186 -12.832 14.126 31 HA2 GLY 8 1HA GLY 8 29.955 -10.562 13.769 32 HA3 GLY 8 2HA GLY 8 30.091 -11.032 12.081 33 H TYR 9 H TYR 9 28.031 -10.974 14.605 34 HA TYR 9 HA TYR 9 26.129 -12.656 13.341 35 HB2 TYR 9 1HB TYR 9 27.625 -13.736 15.705 36 HB3 TYR 9 2HB TYR 9 25.938 -14.173 15.462 37 HD1 TYR 9 1HD TYR 9 25.333 -15.120 13.110 38 HD2 TYR 9 2HD TYR 9 29.288 -14.981 14.671 39 HE1 TYR 9 1HE TYR 9 26.011 -16.879 11.530 40 HE2 TYR 9 2HE TYR 9 29.978 -16.739 13.094 41 HH TYR 9 HH TYR 9 28.547 -18.723 11.811 42 HA PRO 10 HA PRO 10 24.218 -13.746 14.040 43 HB2 PRO 10 2HB PRO 10 22.061 -13.596 14.815 44 HB3 PRO 10 1HB PRO 10 21.782 -12.863 13.231 45 HG2 PRO 10 1HG PRO 10 21.857 -10.702 14.077 46 HG3 PRO 10 2HG PRO 10 21.159 -11.554 15.466 47 HD2 PRO 10 1HD PRO 10 23.413 -10.065 15.653 48 HD3 PRO 10 2HD PRO 10 23.137 -11.509 16.648 49 H ASN 11 H ASN 11 24.291 -14.153 11.854 50 HA ASN 11 HA ASN 11 25.036 -11.886 10.170 51 HB2 ASN 11 1HB ASN 11 26.528 -13.850 10.228 52 HB3 ASN 11 2HB ASN 11 25.216 -14.858 9.624 53 HD21 ASN 11 2HD2 ASN 11 27.358 -13.959 6.780 54 HD22 ASN 11 1HD2 ASN 11 27.538 -14.814 8.270 55 H GLY 12 H GLY 12 23.544 -10.949 8.949 56 HA2 GLY 12 1HA GLY 12 22.086 -11.408 6.968 57 HA3 GLY 12 2HA GLY 12 21.295 -12.605 7.982 58 H THR 13 H THR 13 21.300 -9.392 6.949 59 HA THR 13 HA THR 13 19.087 -8.789 8.769 60 HB THR 13 HB THR 13 19.905 -6.542 9.229 61 HG1 THR 13 1HG THR 13 21.192 -6.354 7.285 62 HG21 THR 13 3HG2 THR 13 21.649 -8.869 9.933 63 HG22 THR 13 1HG2 THR 13 20.552 -7.943 10.956 64 HG23 THR 13 2HG2 THR 13 22.095 -7.247 10.461 65 H SER 14 H SER 14 17.497 -7.510 7.899 66 HA SER 14 HA SER 14 17.931 -6.299 5.277 67 HB2 SER 14 1HB SER 14 16.990 -8.746 5.163 68 HB3 SER 14 2HB SER 14 15.475 -7.981 5.641 69 HG SER 14 HG SER 14 15.336 -7.693 3.546 70 H ALA 15 H ALA 15 16.223 -4.815 4.656 71 HA ALA 15 HA ALA 15 14.607 -3.881 6.935 72 HB1 ALA 15 3HB ALA 15 16.149 -2.175 4.985 73 HB2 ALA 15 1HB ALA 15 15.018 -1.564 6.193 74 HB3 ALA 15 2HB ALA 15 16.492 -2.389 6.702 75 H ALA 16 H ALA 16 12.756 -2.512 6.284 76 HA ALA 16 HA ALA 16 11.375 -3.731 4.060 77 HB1 ALA 16 3HB ALA 16 9.723 -1.746 5.020 78 HB2 ALA 16 1HB ALA 16 9.727 -3.433 5.533 79 HB3 ALA 16 2HB ALA 16 10.645 -2.233 6.442 80 H LEU 17 H LEU 17 11.282 -2.949 2.064 81 HA LEU 17 HA LEU 17 12.178 -0.196 1.589 82 HB2 LEU 17 1HB LEU 17 13.436 -1.842 0.386 83 HB3 LEU 17 2HB LEU 17 11.963 -2.587 -0.230 84 HG LEU 17 HG LEU 17 13.434 -1.046 -1.754 85 HD11 LEU 17 1HD1 LEU 17 11.714 -1.274 -3.140 86 HD12 LEU 17 2HD1 LEU 17 10.702 -0.204 -2.169 87 HD13 LEU 17 3HD1 LEU 17 10.798 -1.921 -1.779 88 HD21 LEU 17 3HD2 LEU 17 13.084 0.800 0.093 89 HD22 LEU 17 1HD2 LEU 17 11.587 1.080 -0.796 90 HD23 LEU 17 2HD2 LEU 17 13.140 1.218 -1.620 91 H ARG 18 H ARG 18 10.482 1.154 1.672 92 HA ARG 18 HA ARG 18 7.846 0.421 0.868 93 HB2 ARG 18 1HB ARG 18 8.990 3.176 1.363 94 HB3 ARG 18 2HB ARG 18 7.283 2.760 1.286 95 HG2 ARG 18 1HG ARG 18 9.198 1.648 3.323 96 HG3 ARG 18 2HG ARG 18 8.166 3.055 3.588 97 HD2 ARG 18 1HD ARG 18 6.943 0.501 2.649 98 HD3 ARG 18 2HD ARG 18 7.397 0.666 4.345 99 HE ARG 18 HE ARG 18 5.246 2.030 2.971 100 HH11 ARG 18 2HH1 ARG 18 7.303 1.909 5.777 101 HH12 ARG 18 1HH1 ARG 18 6.221 2.826 6.772 102 HH21 ARG 18 1HH2 ARG 18 4.236 3.581 5.914 103 HH22 ARG 18 2HH2 ARG 18 3.813 3.239 4.271 104 H GLU 19 H GLU 19 6.942 0.496 -1.084 105 HA GLU 19 HA GLU 19 8.451 1.770 -3.259 106 HB2 GLU 19 1HB GLU 19 6.256 -0.302 -3.429 107 HB3 GLU 19 2HB GLU 19 7.212 0.310 -4.772 108 HG2 GLU 19 1HG GLU 19 8.464 -1.078 -2.428 109 HG3 GLU 19 2HG GLU 19 7.843 -1.958 -3.823 110 H THR 20 H THR 20 7.318 2.967 -4.878 111 HA THR 20 HA THR 20 4.781 4.126 -3.919 112 HB THR 20 HB THR 20 5.417 6.253 -4.923 113 HG1 THR 20 1HG THR 20 6.963 4.983 -6.435 114 HG21 THR 20 3HG2 THR 20 7.728 5.320 -3.232 115 HG22 THR 20 1HG2 THR 20 6.125 5.632 -2.569 116 HG23 THR 20 2HG2 THR 20 7.034 6.938 -3.330 117 H GLY 21 H GLY 21 3.182 4.573 -5.430 118 HA2 GLY 21 1HA GLY 21 3.685 4.001 -8.241 119 HA3 GLY 21 2HA GLY 21 2.574 2.913 -7.422 120 H VAL 22 H VAL 22 0.663 3.419 -8.334 121 HA VAL 22 HA VAL 22 -0.448 6.033 -7.720 122 HB VAL 22 HB VAL 22 0.619 6.119 -10.049 123 HG11 VAL 22 1HG1 VAL 22 -1.814 4.910 -11.174 124 HG12 VAL 22 2HG1 VAL 22 -0.146 4.850 -11.745 125 HG13 VAL 22 3HG1 VAL 22 -0.675 3.775 -10.450 126 HG21 VAL 22 3HG2 VAL 22 -2.276 6.790 -9.563 127 HG22 VAL 22 1HG2 VAL 22 -0.871 7.840 -9.379 128 HG23 VAL 22 2HG2 VAL 22 -1.385 7.327 -10.987 129 H ILE 23 H ILE 23 -2.638 6.003 -7.424 130 HA ILE 23 HA ILE 23 -3.874 3.465 -7.042 131 HB ILE 23 HB ILE 23 -5.277 6.133 -7.080 132 HG12 ILE 23 1HG1 ILE 23 -3.211 6.110 -5.627 133 HG13 ILE 23 2HG1 ILE 23 -4.718 6.434 -4.777 134 HG21 ILE 23 1HG2 ILE 23 -6.587 4.862 -5.237 135 HG22 ILE 23 2HG2 ILE 23 -6.909 4.501 -6.932 136 HG23 ILE 23 3HG2 ILE 23 -5.890 3.422 -5.979 137 HD11 ILE 23 3HD1 ILE 23 -2.839 4.215 -4.503 138 HD12 ILE 23 1HD1 ILE 23 -3.979 4.894 -3.342 139 HD13 ILE 23 2HD1 ILE 23 -4.535 3.734 -4.549 140 H GLU 24 H GLU 24 -4.071 2.361 -8.958 141 HA GLU 24 HA GLU 24 -5.088 3.524 -11.347 142 HB2 GLU 24 1HB GLU 24 -3.656 1.360 -10.976 143 HB3 GLU 24 2HB GLU 24 -5.223 0.582 -10.807 144 HG2 GLU 24 1HG GLU 24 -4.355 0.410 -13.080 145 HG3 GLU 24 2HG GLU 24 -5.865 1.317 -13.019 146 H LYS 25 H LYS 25 -6.513 1.419 -8.867 147 HA LYS 25 HA LYS 25 -9.162 2.388 -9.663 148 HB2 LYS 25 1HB LYS 25 -8.417 -0.021 -10.528 149 HB3 LYS 25 2HB LYS 25 -8.927 -0.485 -8.910 150 HG2 LYS 25 1HG LYS 25 -10.783 1.216 -10.462 151 HG3 LYS 25 2HG LYS 25 -10.579 -0.454 -10.997 152 HD2 LYS 25 1HD LYS 25 -11.134 -1.238 -8.743 153 HD3 LYS 25 2HD LYS 25 -11.340 0.433 -8.212 154 HE2 LYS 25 1HE LYS 25 -12.936 -0.890 -10.404 155 HE3 LYS 25 2HE LYS 25 -13.477 -0.711 -8.736 156 HZ1 LYS 25 3HZ LYS 25 -13.390 1.236 -10.859 157 HZ2 LYS 25 1HZ LYS 25 -12.778 1.805 -9.388 158 HZ3 LYS 25 2HZ LYS 25 -14.353 1.193 -9.469 159 H LEU 26 H LEU 26 -10.767 2.235 -8.005 160 HA LEU 26 HA LEU 26 -9.869 1.497 -5.334 161 HB2 LEU 26 1HB LEU 26 -9.351 3.962 -5.857 162 HB3 LEU 26 2HB LEU 26 -11.095 4.201 -5.760 163 HG LEU 26 HG LEU 26 -10.722 2.996 -3.410 164 HD11 LEU 26 1HD1 LEU 26 -8.630 3.939 -2.412 165 HD12 LEU 26 2HD1 LEU 26 -8.093 4.316 -4.048 166 HD13 LEU 26 3HD1 LEU 26 -8.374 2.640 -3.578 167 HD21 LEU 26 3HD2 LEU 26 -11.250 5.006 -2.531 168 HD22 LEU 26 1HD2 LEU 26 -11.441 5.456 -4.226 169 HD23 LEU 26 2HD2 LEU 26 -9.945 5.841 -3.375 170 H LEU 27 H LEU 27 -11.491 0.780 -4.041 171 HA LEU 27 HA LEU 27 -14.255 1.145 -4.975 172 HB2 LEU 27 1HB LEU 27 -13.086 -1.436 -3.946 173 HB3 LEU 27 2HB LEU 27 -14.755 -1.173 -4.445 174 HG LEU 27 HG LEU 27 -13.629 -0.559 -6.743 175 HD11 LEU 27 1HD1 LEU 27 -11.357 -0.666 -6.286 176 HD12 LEU 27 2HD1 LEU 27 -11.688 -2.231 -7.029 177 HD13 LEU 27 3HD1 LEU 27 -11.525 -2.104 -5.278 178 HD21 LEU 27 3HD2 LEU 27 -13.770 -3.443 -5.898 179 HD22 LEU 27 1HD2 LEU 27 -14.075 -2.758 -7.495 180 HD23 LEU 27 2HD2 LEU 27 -15.201 -2.449 -6.173 181 H THR 28 H THR 28 -15.682 -0.062 -3.094 182 HA THR 28 HA THR 28 -15.294 1.628 -0.800 183 HB THR 28 HB THR 28 -17.387 -0.451 -1.442 184 HG1 THR 28 1HG THR 28 -18.193 1.220 -2.448 185 HG21 THR 28 3HG2 THR 28 -17.147 1.349 0.969 186 HG22 THR 28 1HG2 THR 28 -17.152 -0.414 0.955 187 HG23 THR 28 2HG2 THR 28 -18.611 0.475 0.521 188 H SER 29 H SER 29 -14.719 -1.705 -1.617 189 HA SER 29 HA SER 29 -14.223 -2.433 1.162 190 HB2 SER 29 1HB SER 29 -14.002 -4.114 -1.347 191 HB3 SER 29 2HB SER 29 -13.918 -4.707 0.312 192 HG SER 29 HG SER 29 -16.107 -3.621 0.455 193 H TYR 30 H TYR 30 -12.482 -2.031 -1.882 194 HA TYR 30 HA TYR 30 -10.048 -1.424 -0.511 195 HB2 TYR 30 1HB TYR 30 -8.802 -3.319 -1.779 196 HB3 TYR 30 2HB TYR 30 -9.635 -3.706 -0.278 197 HD1 TYR 30 1HD TYR 30 -11.139 -3.200 -3.638 198 HD2 TYR 30 2HD TYR 30 -10.159 -5.974 -0.565 199 HE1 TYR 30 1HE TYR 30 -12.425 -4.939 -4.807 200 HE2 TYR 30 2HE TYR 30 -11.442 -7.722 -1.726 201 HH TYR 30 HH TYR 30 -13.614 -7.461 -3.615 202 H GLY 31 H GLY 31 -8.177 -1.598 -2.383 203 HA2 GLY 31 1HA GLY 31 -9.242 -0.701 -4.945 204 HA3 GLY 31 2HA GLY 31 -8.335 0.489 -4.022 205 H PHE 32 H PHE 32 -7.504 -0.242 -6.531 206 HA PHE 32 HA PHE 32 -5.219 -2.029 -6.042 207 HB2 PHE 32 1HB PHE 32 -6.468 -1.172 -8.661 208 HB3 PHE 32 2HB PHE 32 -5.085 -2.250 -8.498 209 HD1 PHE 32 2HD PHE 32 -8.653 -1.901 -7.514 210 HD2 PHE 32 1HD PHE 32 -5.410 -4.535 -8.326 211 HE1 PHE 32 2HE PHE 32 -10.178 -3.824 -7.349 212 HE2 PHE 32 1HE PHE 32 -6.930 -6.463 -8.162 213 HZ PHE 32 HZ PHE 32 -9.318 -6.108 -7.672 214 H ILE 33 H ILE 33 -3.154 -1.439 -6.964 215 HA ILE 33 HA ILE 33 -2.815 1.435 -7.468 216 HB ILE 33 HB ILE 33 -1.096 -0.198 -5.596 217 HG12 ILE 33 1HG1 ILE 33 -2.642 2.270 -4.863 218 HG13 ILE 33 2HG1 ILE 33 -3.432 0.697 -4.864 219 HG21 ILE 33 1HG2 ILE 33 -0.777 2.496 -6.825 220 HG22 ILE 33 2HG2 ILE 33 -0.190 2.230 -5.184 221 HG23 ILE 33 3HG2 ILE 33 0.430 1.249 -6.511 222 HD11 ILE 33 3HD1 ILE 33 -2.755 1.007 -2.664 223 HD12 ILE 33 1HD1 ILE 33 -1.520 -0.053 -3.344 224 HD13 ILE 33 2HD1 ILE 33 -1.190 1.668 -3.138 225 H GLN 34 H GLN 34 -1.955 1.627 -9.421 226 HA GLN 34 HA GLN 34 -0.460 -0.517 -10.631 227 HB2 GLN 34 1HB GLN 34 -1.959 0.719 -12.041 228 HB3 GLN 34 2HB GLN 34 -1.209 2.245 -11.591 229 HG2 GLN 34 1HG GLN 34 -0.193 1.963 -13.582 230 HG3 GLN 34 2HG GLN 34 0.931 1.028 -12.597 231 HE21 GLN 34 2HE2 GLN 34 -0.011 -2.096 -13.913 232 HE22 GLN 34 1HE2 GLN 34 0.670 -1.280 -12.551 233 H CYS 35 H CYS 35 1.453 -0.742 -9.512 234 HA CYS 35 HA CYS 35 3.151 1.120 -8.500 235 HB2 CYS 35 1HB CYS 35 3.786 -1.462 -9.925 236 HB3 CYS 35 2HB CYS 35 5.023 -0.496 -9.130 237 HG CYS 35 HG CYS 35 2.282 -1.694 -7.475 238 H SER 36 H SER 36 4.768 2.457 -9.220 239 HA SER 36 HA SER 36 4.718 3.046 -12.092 240 HB2 SER 36 1HB SER 36 5.570 4.673 -9.694 241 HB3 SER 36 2HB SER 36 5.882 5.184 -11.353 242 HG SER 36 HG SER 36 3.776 5.500 -11.675 243 H GLU 37 H GLU 37 6.488 1.234 -10.036 244 HA GLU 37 HA GLU 37 9.045 1.835 -11.361 245 HB2 GLU 37 1HB GLU 37 8.619 0.177 -8.873 246 HB3 GLU 37 2HB GLU 37 10.150 0.750 -9.519 247 HG2 GLU 37 1HG GLU 37 9.016 3.105 -9.191 248 HG3 GLU 37 2HG GLU 37 8.059 2.216 -8.007 249 H ARG 38 H ARG 38 6.866 -0.804 -10.453 250 HA ARG 38 HA ARG 38 8.346 -2.614 -12.227 251 HB2 ARG 38 1HB ARG 38 7.341 -4.423 -11.084 252 HB3 ARG 38 2HB ARG 38 7.789 -3.269 -9.835 253 HG2 ARG 38 1HG ARG 38 5.514 -2.511 -9.648 254 HG3 ARG 38 2HG ARG 38 5.029 -3.529 -11.006 255 HD2 ARG 38 1HD ARG 38 6.335 -4.761 -8.619 256 HD3 ARG 38 2HD ARG 38 4.627 -4.328 -8.554 257 HE ARG 38 HE ARG 38 5.319 -5.878 -10.867 258 HH11 ARG 38 2HH1 ARG 38 4.437 -6.017 -7.502 259 HH12 ARG 38 1HH1 ARG 38 3.795 -7.623 -7.603 260 HH21 ARG 38 1HH2 ARG 38 3.820 -8.746 -9.599 261 HH22 ARG 38 2HH2 ARG 38 4.477 -7.993 -11.012 262 H GLN 39 H GLN 39 5.876 -0.496 -12.446 263 HA GLN 39 HA GLN 39 4.022 -0.257 -13.759 264 HB2 GLN 39 1HB GLN 39 4.309 -0.954 -16.063 265 HB3 GLN 39 2HB GLN 39 5.831 -0.331 -15.440 266 HG2 GLN 39 1HG GLN 39 6.767 -2.482 -15.279 267 HG3 GLN 39 2HG GLN 39 5.200 -3.263 -15.486 268 HE21 GLN 39 2HE2 GLN 39 5.698 -3.649 -18.866 269 HE22 GLN 39 1HE2 GLN 39 5.074 -4.236 -17.366 270 H ALA 40 H ALA 40 3.627 -2.181 -11.817 271 HA ALA 40 HA ALA 40 1.958 -4.148 -13.244 272 HB1 ALA 40 3HB ALA 40 2.519 -5.839 -11.767 273 HB2 ALA 40 1HB ALA 40 4.052 -4.989 -11.969 274 HB3 ALA 40 2HB ALA 40 3.073 -4.713 -10.527 275 H ARG 41 H ARG 41 -0.111 -4.447 -12.530 276 HA ARG 41 HA ARG 41 -1.213 -2.373 -10.866 277 HB2 ARG 41 1HB ARG 41 -2.294 -4.560 -12.570 278 HB3 ARG 41 2HB ARG 41 -3.328 -3.944 -11.288 279 HG2 ARG 41 1HG ARG 41 -3.554 -1.889 -12.265 280 HG3 ARG 41 2HG ARG 41 -2.009 -2.000 -13.111 281 HD2 ARG 41 1HD ARG 41 -3.947 -2.149 -14.631 282 HD3 ARG 41 2HD ARG 41 -2.932 -3.590 -14.673 283 HE ARG 41 HE ARG 41 -5.138 -3.791 -12.845 284 HH11 ARG 41 2HH1 ARG 41 -4.120 -4.188 -16.150 285 HH12 ARG 41 1HH1 ARG 41 -5.360 -5.336 -16.531 286 HH21 ARG 41 1HH2 ARG 41 -6.871 -5.969 -14.929 287 HH22 ARG 41 2HH2 ARG 41 -6.775 -5.302 -13.334 288 H LEU 42 H LEU 42 -0.687 -2.600 -8.752 289 HA LEU 42 HA LEU 42 -0.794 -5.175 -7.444 290 HB2 LEU 42 1HB LEU 42 0.041 -2.426 -6.711 291 HB3 LEU 42 2HB LEU 42 -0.459 -3.495 -5.403 292 HG LEU 42 HG LEU 42 1.860 -3.827 -7.290 293 HD11 LEU 42 1HD1 LEU 42 3.126 -3.180 -5.578 294 HD12 LEU 42 2HD1 LEU 42 2.271 -4.227 -4.446 295 HD13 LEU 42 3HD1 LEU 42 1.636 -2.623 -4.815 296 HD21 LEU 42 3HD2 LEU 42 2.043 -5.931 -5.586 297 HD22 LEU 42 1HD2 LEU 42 1.401 -6.024 -7.226 298 HD23 LEU 42 2HD2 LEU 42 0.301 -5.860 -5.857 299 H PHE 43 H PHE 43 -1.959 -5.278 -5.269 300 HA PHE 43 HA PHE 43 -4.594 -3.980 -5.463 301 HB2 PHE 43 1HB PHE 43 -5.269 -6.087 -6.043 302 HB3 PHE 43 2HB PHE 43 -3.912 -6.861 -5.231 303 HD1 PHE 43 2HD PHE 43 -6.480 -4.529 -3.891 304 HD2 PHE 43 1HD PHE 43 -4.844 -8.458 -3.844 305 HE1 PHE 43 2HE PHE 43 -7.948 -5.113 -2.005 306 HE2 PHE 43 1HE PHE 43 -6.310 -9.049 -1.958 307 HZ PHE 43 HZ PHE 43 -7.863 -7.375 -1.035 308 H PHE 44 H PHE 44 -4.674 -2.600 -3.813 309 HA PHE 44 HA PHE 44 -3.528 -3.404 -1.231 310 HB2 PHE 44 1HB PHE 44 -3.092 -1.196 -0.780 311 HB3 PHE 44 2HB PHE 44 -3.014 -1.148 -2.538 312 HD1 PHE 44 1HD PHE 44 -4.875 -0.208 -3.836 313 HD2 PHE 44 2HD PHE 44 -4.827 -0.091 0.419 314 HE1 PHE 44 1HE PHE 44 -6.631 1.515 -3.867 315 HE2 PHE 44 2HE PHE 44 -6.583 1.632 0.395 316 HZ PHE 44 HZ PHE 44 -7.489 2.436 -1.750 317 H HIS 45 H HIS 45 -4.738 -3.453 0.619 318 HA HIS 45 HA HIS 45 -7.632 -3.470 0.238 319 HB2 HIS 45 1HB HIS 45 -6.055 -5.241 1.508 320 HB3 HIS 45 2HB HIS 45 -6.454 -4.192 2.865 321 HD1 HIS 45 1HD HIS 45 -9.369 -3.596 2.392 322 HD2 HIS 45 2HD HIS 45 -7.711 -7.359 1.799 323 HE1 HIS 45 1HE HIS 45 -11.289 -5.212 2.568 324 HE2 HIS 45 2HE HIS 45 -10.248 -7.488 2.291 325 H CYS 46 H CYS 46 -9.039 -2.147 1.303 326 HA CYS 46 HA CYS 46 -8.289 0.418 1.992 327 HB2 CYS 46 1HB CYS 46 -10.499 0.786 2.561 328 HB3 CYS 46 2HB CYS 46 -10.647 -0.653 1.560 329 HG CYS 46 HG CYS 46 -11.799 -0.219 4.517 330 H SER 47 H SER 47 -7.900 -2.434 3.793 331 HA SER 47 HA SER 47 -7.923 -1.203 6.397 332 HB2 SER 47 1HB SER 47 -8.449 -3.661 5.857 333 HB3 SER 47 2HB SER 47 -6.703 -3.880 5.735 334 HG SER 47 HG SER 47 -8.288 -3.351 7.970 335 H GLN 48 H GLN 48 -5.559 -1.971 3.945 336 HA GLN 48 HA GLN 48 -3.228 -1.760 5.497 337 HB2 GLN 48 1HB GLN 48 -3.504 -0.996 2.590 338 HB3 GLN 48 2HB GLN 48 -2.042 -1.512 3.420 339 HG2 GLN 48 1HG GLN 48 -4.471 -3.207 2.886 340 HG3 GLN 48 2HG GLN 48 -2.933 -3.287 2.029 341 HE21 GLN 48 2HE2 GLN 48 -3.146 -5.931 4.658 342 HE22 GLN 48 1HE2 GLN 48 -4.177 -5.443 3.360 343 H TYR 49 H TYR 49 -4.906 0.677 3.519 344 HA TYR 49 HA TYR 49 -3.227 2.825 3.923 345 HB2 TYR 49 1HB TYR 49 -5.224 2.774 2.414 346 HB3 TYR 49 2HB TYR 49 -6.246 2.977 3.833 347 HD1 TYR 49 2HD TYR 49 -3.013 4.627 2.991 348 HD2 TYR 49 1HD TYR 49 -7.200 5.088 3.589 349 HE1 TYR 49 2HE TYR 49 -2.763 7.067 2.816 350 HE2 TYR 49 1HE TYR 49 -6.962 7.530 3.415 351 HH TYR 49 HH TYR 49 -3.891 9.082 3.425 352 H ASN 50 H ASN 50 -2.657 4.015 5.618 353 HA ASN 50 HA ASN 50 -3.761 3.451 8.212 354 HB2 ASN 50 1HB ASN 50 -1.454 3.818 8.279 355 HB3 ASN 50 2HB ASN 50 -1.544 5.200 7.191 356 HD21 ASN 50 2HD2 ASN 50 -1.901 7.546 9.701 357 HD22 ASN 50 1HD2 ASN 50 -1.747 7.192 8.017 358 H GLY 51 H GLY 51 -3.962 6.047 5.858 359 HA2 GLY 51 1HA GLY 51 -5.297 7.878 7.623 360 HA3 GLY 51 2HA GLY 51 -5.118 8.049 5.883 361 H ASN 52 H ASN 52 -7.173 8.565 5.322 362 HA ASN 52 HA ASN 52 -9.237 6.551 5.923 363 HB2 ASN 52 1HB ASN 52 -9.390 8.962 6.979 364 HB3 ASN 52 2HB ASN 52 -9.983 9.397 5.379 365 HD21 ASN 52 2HD2 ASN 52 -13.041 7.692 5.695 366 HD22 ASN 52 1HD2 ASN 52 -11.865 8.296 4.583 367 H LEU 53 H LEU 53 -9.633 5.446 4.125 368 HA LEU 53 HA LEU 53 -8.930 5.813 1.585 369 HB2 LEU 53 1HB LEU 53 -11.348 4.629 2.810 370 HB3 LEU 53 2HB LEU 53 -11.400 4.910 1.070 371 HG LEU 53 HG LEU 53 -10.724 2.603 1.737 372 HD11 LEU 53 1HD1 LEU 53 -9.790 2.578 -0.270 373 HD12 LEU 53 2HD1 LEU 53 -8.312 3.271 0.398 374 HD13 LEU 53 3HD1 LEU 53 -9.589 4.329 -0.203 375 HD21 LEU 53 3HD2 LEU 53 -8.800 2.138 2.894 376 HD22 LEU 53 1HD2 LEU 53 -9.300 3.631 3.689 377 HD23 LEU 53 2HD2 LEU 53 -8.036 3.668 2.459 378 H GLN 54 H GLN 54 -11.807 7.313 3.026 379 HA GLN 54 HA GLN 54 -12.972 8.549 0.919 380 HB2 GLN 54 1HB GLN 54 -12.420 9.827 3.603 381 HB3 GLN 54 2HB GLN 54 -13.631 10.366 2.448 382 HG2 GLN 54 1HG GLN 54 -13.666 7.578 3.532 383 HG3 GLN 54 2HG GLN 54 -14.372 8.919 4.432 384 HE21 GLN 54 2HE2 GLN 54 -16.408 7.166 1.495 385 HE22 GLN 54 1HE2 GLN 54 -14.933 6.559 2.159 386 H ASP 55 H ASP 55 -10.170 9.813 2.709 387 HA ASP 55 HA ASP 55 -9.833 12.131 1.144 388 HB2 ASP 55 1HB ASP 55 -8.062 10.583 3.004 389 HB3 ASP 55 2HB ASP 55 -7.389 11.900 2.047 390 H LEU 56 H LEU 56 -8.661 8.841 0.793 391 HA LEU 56 HA LEU 56 -6.806 9.409 -1.294 392 HB2 LEU 56 1HB LEU 56 -7.079 7.330 0.306 393 HB3 LEU 56 2HB LEU 56 -8.078 6.731 -1.016 394 HG LEU 56 HG LEU 56 -6.187 6.869 -2.537 395 HD11 LEU 56 1HD1 LEU 56 -3.906 7.257 -1.332 396 HD12 LEU 56 2HD1 LEU 56 -4.888 8.180 -0.194 397 HD13 LEU 56 3HD1 LEU 56 -4.856 8.631 -1.898 398 HD21 LEU 56 3HD2 LEU 56 -5.610 4.822 -1.903 399 HD22 LEU 56 1HD2 LEU 56 -6.463 5.095 -0.383 400 HD23 LEU 56 2HD2 LEU 56 -4.739 5.452 -0.503 401 H LYS 57 H LYS 57 -6.997 8.621 -3.513 402 HA LYS 57 HA LYS 57 -9.616 8.109 -4.590 403 HB2 LYS 57 1HB LYS 57 -9.435 10.112 -6.172 404 HB3 LYS 57 2HB LYS 57 -9.932 10.438 -4.517 405 HG2 LYS 57 1HG LYS 57 -7.931 11.450 -3.972 406 HG3 LYS 57 2HG LYS 57 -7.051 10.642 -5.272 407 HD2 LYS 57 1HD LYS 57 -7.780 12.123 -6.869 408 HD3 LYS 57 2HD LYS 57 -9.255 12.518 -5.983 409 HE2 LYS 57 1HE LYS 57 -6.474 13.353 -5.169 410 HE3 LYS 57 2HE LYS 57 -7.618 14.375 -6.038 411 HZ1 LYS 57 3HZ LYS 57 -7.389 14.327 -3.384 412 HZ2 LYS 57 1HZ LYS 57 -8.619 13.184 -3.592 413 HZ3 LYS 57 2HZ LYS 57 -8.812 14.754 -4.191 414 H VAL 58 H VAL 58 -9.536 7.841 -6.985 415 HA VAL 58 HA VAL 58 -7.221 6.316 -7.701 416 HB VAL 58 HB VAL 58 -9.731 7.046 -9.197 417 HG11 VAL 58 1HG1 VAL 58 -8.644 6.694 -11.110 418 HG12 VAL 58 2HG1 VAL 58 -7.194 6.144 -10.268 419 HG13 VAL 58 3HG1 VAL 58 -8.498 5.008 -10.613 420 HG21 VAL 58 3HG2 VAL 58 -10.411 5.349 -7.873 421 HG22 VAL 58 1HG2 VAL 58 -9.627 4.352 -9.099 422 HG23 VAL 58 2HG2 VAL 58 -8.771 4.755 -7.611 423 H GLY 59 H GLY 59 -5.466 6.955 -8.777 424 HA2 GLY 59 1HA GLY 59 -4.373 8.126 -10.546 425 HA3 GLY 59 2HA GLY 59 -5.622 9.360 -10.458 426 H ASP 60 H ASP 60 -4.314 8.241 -7.482 427 HA ASP 60 HA ASP 60 -2.695 10.696 -7.284 428 HB2 ASP 60 1HB ASP 60 -4.620 9.440 -5.381 429 HB3 ASP 60 2HB ASP 60 -3.215 10.269 -4.716 430 H ASP 61 H ASP 61 -0.778 10.597 -6.032 431 HA ASP 61 HA ASP 61 0.564 8.055 -6.224 432 HB2 ASP 61 1HB ASP 61 1.359 10.859 -5.613 433 HB3 ASP 61 2HB ASP 61 2.402 9.569 -5.022 434 H VAL 62 H VAL 62 1.317 6.780 -4.566 435 HA VAL 62 HA VAL 62 0.928 7.557 -1.807 436 HB VAL 62 HB VAL 62 -0.349 5.319 -1.423 437 HG11 VAL 62 1HG1 VAL 62 -2.326 7.079 -2.573 438 HG12 VAL 62 2HG1 VAL 62 -2.014 6.691 -0.879 439 HG13 VAL 62 3HG1 VAL 62 -1.115 7.988 -1.669 440 HG21 VAL 62 3HG2 VAL 62 -1.693 5.807 -3.995 441 HG22 VAL 62 1HG2 VAL 62 -0.096 5.066 -4.104 442 HG23 VAL 62 2HG2 VAL 62 -1.364 4.292 -3.154 443 H GLU 63 H GLU 63 2.198 6.407 -0.397 444 HA GLU 63 HA GLU 63 4.102 4.561 -1.643 445 HB2 GLU 63 1HB GLU 63 4.850 6.621 -0.338 446 HB3 GLU 63 2HB GLU 63 4.310 5.778 1.107 447 HG2 GLU 63 1HG GLU 63 5.854 3.869 0.191 448 HG3 GLU 63 2HG GLU 63 6.619 5.200 -0.675 449 H PHE 64 H PHE 64 4.117 2.454 -1.196 450 HA PHE 64 HA PHE 64 2.814 1.493 1.246 451 HB2 PHE 64 1HB PHE 64 1.824 -0.393 -0.163 452 HB3 PHE 64 2HB PHE 64 1.067 1.189 -0.319 453 HD1 PHE 64 1HD PHE 64 1.445 2.549 -2.334 454 HD2 PHE 64 2HD PHE 64 2.934 -1.424 -1.995 455 HE1 PHE 64 1HE PHE 64 1.778 2.470 -4.770 456 HE2 PHE 64 2HE PHE 64 3.270 -1.509 -4.431 457 HZ PHE 64 HZ PHE 64 2.692 0.439 -5.822 458 H GLU 65 H GLU 65 3.170 -1.033 1.332 459 HA GLU 65 HA GLU 65 5.960 -1.568 0.546 460 HB2 GLU 65 1HB GLU 65 6.238 -1.361 2.816 461 HB3 GLU 65 2HB GLU 65 4.594 -1.871 3.173 462 HG2 GLU 65 1HG GLU 65 5.121 -4.095 3.132 463 HG3 GLU 65 2HG GLU 65 6.490 -3.863 2.045 464 H VAL 66 H VAL 66 6.108 -3.208 -0.819 465 HA VAL 66 HA VAL 66 3.929 -4.962 -1.356 466 HB VAL 66 HB VAL 66 6.804 -5.019 -2.272 467 HG11 VAL 66 1HG1 VAL 66 4.538 -6.886 -2.796 468 HG12 VAL 66 2HG1 VAL 66 5.703 -6.558 -4.080 469 HG13 VAL 66 3HG1 VAL 66 6.248 -7.235 -2.545 470 HG21 VAL 66 3HG2 VAL 66 5.258 -4.560 -4.460 471 HG22 VAL 66 1HG2 VAL 66 4.339 -3.730 -3.204 472 HG23 VAL 66 2HG2 VAL 66 6.025 -3.299 -3.493 473 H SER 67 H SER 67 3.386 -6.756 -0.319 474 HA SER 67 HA SER 67 5.481 -8.294 1.056 475 HB2 SER 67 1HB SER 67 3.913 -6.811 2.547 476 HB3 SER 67 2HB SER 67 2.736 -8.090 2.249 477 HG SER 67 HG SER 67 5.286 -8.325 3.464 478 H SER 68 H SER 68 4.542 -10.512 1.740 479 HA SER 68 HA SER 68 3.121 -11.596 -0.594 480 HB2 SER 68 1HB SER 68 4.967 -12.940 1.392 481 HB3 SER 68 2HB SER 68 4.109 -13.785 0.104 482 HG SER 68 HG SER 68 6.304 -12.092 -0.027 483 H ASP 69 H ASP 69 1.182 -12.522 -0.377 484 HA ASP 69 HA ASP 69 -0.261 -12.301 2.049 485 HB2 ASP 69 1HB ASP 69 -1.144 -12.322 -0.381 486 HB3 ASP 69 2HB ASP 69 -1.093 -14.077 -0.233 487 H ARG 70 H ARG 70 -1.438 -14.169 3.055 488 HA ARG 70 HA ARG 70 0.452 -16.383 3.452 489 HB2 ARG 70 1HB ARG 70 -1.854 -15.657 5.253 490 HB3 ARG 70 2HB ARG 70 -0.468 -16.672 5.626 491 HG2 ARG 70 1HG ARG 70 -0.265 -13.732 5.028 492 HG3 ARG 70 2HG ARG 70 -0.426 -14.398 6.654 493 HD2 ARG 70 1HD ARG 70 1.857 -14.201 6.484 494 HD3 ARG 70 2HD ARG 70 1.619 -15.859 5.936 495 HE ARG 70 HE ARG 70 1.591 -13.930 3.809 496 HH11 ARG 70 2HH1 ARG 70 3.599 -15.942 5.818 497 HH12 ARG 70 1HH1 ARG 70 4.902 -16.004 4.679 498 HH21 ARG 70 1HH2 ARG 70 4.732 -14.900 2.679 499 HH22 ARG 70 2HH2 ARG 70 3.301 -14.003 2.301 500 H ARG 71 H ARG 71 -2.192 -15.746 1.682 501 HA ARG 71 HA ARG 71 -3.258 -18.479 1.968 502 HB2 ARG 71 1HB ARG 71 -4.706 -16.029 0.947 503 HB3 ARG 71 2HB ARG 71 -5.390 -17.640 1.118 504 HG2 ARG 71 1HG ARG 71 -4.239 -16.245 3.494 505 HG3 ARG 71 2HG ARG 71 -5.860 -15.845 2.923 506 HD2 ARG 71 1HD ARG 71 -6.295 -17.505 4.466 507 HD3 ARG 71 2HD ARG 71 -6.218 -18.420 2.961 508 HE ARG 71 HE ARG 71 -4.461 -19.558 3.846 509 HH11 ARG 71 2HH1 ARG 71 -4.647 -16.453 5.409 510 HH12 ARG 71 1HH1 ARG 71 -3.336 -16.775 6.495 511 HH21 ARG 71 1HH2 ARG 71 -2.248 -18.790 6.414 512 HH22 ARG 71 2HH2 ARG 71 -2.734 -19.994 5.270 513 H THR 72 H THR 72 -2.444 -15.899 -0.308 514 HA THR 72 HA THR 72 -2.368 -17.913 -2.460 515 HB THR 72 HB THR 72 -2.732 -16.123 -4.065 516 HG1 THR 72 1HG THR 72 -2.849 -14.022 -3.460 517 HG21 THR 72 3HG2 THR 72 -4.741 -17.130 -3.280 518 HG22 THR 72 1HG2 THR 72 -5.028 -15.391 -3.317 519 HG23 THR 72 2HG2 THR 72 -4.701 -16.198 -1.783 520 H GLY 73 H GLY 73 -0.510 -15.865 -0.520 521 HA2 GLY 73 1HA GLY 73 1.727 -15.350 -0.504 522 HA3 GLY 73 2HA GLY 73 1.933 -16.668 -1.649 523 H LYS 74 H LYS 74 -0.242 -14.254 -2.663 524 HA LYS 74 HA LYS 74 1.548 -13.461 -4.781 525 HB2 LYS 74 1HB LYS 74 -1.252 -12.513 -4.141 526 HB3 LYS 74 2HB LYS 74 -0.369 -12.180 -5.625 527 HG2 LYS 74 1HG LYS 74 -0.763 -15.016 -4.833 528 HG3 LYS 74 2HG LYS 74 -2.142 -14.120 -5.474 529 HD2 LYS 74 1HD LYS 74 -1.196 -13.883 -7.551 530 HD3 LYS 74 2HD LYS 74 0.453 -13.971 -6.928 531 HE2 LYS 74 1HE LYS 74 0.223 -16.354 -6.567 532 HE3 LYS 74 2HE LYS 74 -1.466 -16.294 -7.068 533 HZ1 LYS 74 3HZ LYS 74 -0.504 -15.351 -9.241 534 HZ2 LYS 74 1HZ LYS 74 -0.381 -17.014 -8.957 535 HZ3 LYS 74 2HZ LYS 74 0.961 -16.013 -8.715 536 HA PRO 75 HA PRO 75 3.099 -9.730 -3.061 537 HB2 PRO 75 2HB PRO 75 4.420 -9.562 -4.933 538 HB3 PRO 75 1HB PRO 75 3.349 -8.202 -5.290 539 HG2 PRO 75 1HG PRO 75 2.049 -9.446 -6.756 540 HG3 PRO 75 2HG PRO 75 3.628 -10.207 -7.022 541 HD2 PRO 75 1HD PRO 75 1.435 -11.619 -6.295 542 HD3 PRO 75 2HD PRO 75 3.075 -12.077 -5.793 543 H ILE 76 H ILE 76 1.543 -8.812 -1.779 544 HA ILE 76 HA ILE 76 -0.404 -7.046 -3.113 545 HB ILE 76 HB ILE 76 -1.793 -7.249 -1.077 546 HG12 ILE 76 1HG1 ILE 76 -0.137 -9.601 -0.237 547 HG13 ILE 76 2HG1 ILE 76 0.328 -7.985 0.282 548 HG21 ILE 76 1HG2 ILE 76 -1.095 -9.810 -2.501 549 HG22 ILE 76 2HG2 ILE 76 -2.516 -9.600 -1.478 550 HG23 ILE 76 3HG2 ILE 76 -2.337 -8.641 -2.947 551 HD11 ILE 76 3HD1 ILE 76 -1.355 -7.839 1.753 552 HD12 ILE 76 1HD1 ILE 76 -2.497 -8.665 0.693 553 HD13 ILE 76 2HD1 ILE 76 -1.340 -9.599 1.643 554 H ALA 77 H ALA 77 -0.971 -5.074 -1.952 555 HA ALA 77 HA ALA 77 1.399 -3.857 -0.777 556 HB1 ALA 77 3HB ALA 77 -0.750 -2.942 -2.402 557 HB2 ALA 77 1HB ALA 77 -0.734 -2.002 -0.910 558 HB3 ALA 77 2HB ALA 77 0.712 -2.083 -1.917 559 H VAL 78 H VAL 78 1.480 -2.904 1.246 560 HA VAL 78 HA VAL 78 -0.840 -3.148 3.003 561 HB VAL 78 HB VAL 78 0.512 -4.189 4.795 562 HG11 VAL 78 1HG1 VAL 78 0.604 -6.476 3.765 563 HG12 VAL 78 2HG1 VAL 78 -0.931 -5.629 3.563 564 HG13 VAL 78 3HG1 VAL 78 0.209 -5.723 2.221 565 HG21 VAL 78 3HG2 VAL 78 2.558 -5.385 3.220 566 HG22 VAL 78 1HG2 VAL 78 2.645 -3.635 3.016 567 HG23 VAL 78 2HG2 VAL 78 2.721 -4.340 4.631 568 H LYS 79 H LYS 79 -0.532 -2.007 5.067 569 HA LYS 79 HA LYS 79 -0.145 -0.016 6.118 570 HB2 LYS 79 1HB LYS 79 2.726 -0.498 5.326 571 HB3 LYS 79 2HB LYS 79 2.133 0.369 6.737 572 HG2 LYS 79 1HG LYS 79 1.618 -2.557 6.295 573 HG3 LYS 79 2HG LYS 79 3.041 -1.947 7.143 574 HD2 LYS 79 1HD LYS 79 1.650 -2.253 8.927 575 HD3 LYS 79 2HD LYS 79 1.199 -0.602 8.495 576 HE2 LYS 79 1HE LYS 79 -0.547 -1.803 6.961 577 HE3 LYS 79 2HE LYS 79 -0.284 -3.157 8.059 578 HZ1 LYS 79 3HZ LYS 79 -1.476 -2.171 9.638 579 HZ2 LYS 79 1HZ LYS 79 -2.001 -1.079 8.457 580 HZ3 LYS 79 2HZ LYS 79 -0.686 -0.687 9.445 581 H LEU 80 H LEU 80 -1.113 0.522 3.678 582 HA LEU 80 HA LEU 80 0.494 2.093 1.989 583 HB2 LEU 80 1HB LEU 80 -2.071 1.144 1.931 584 HB3 LEU 80 2HB LEU 80 -2.323 2.876 2.142 585 HG LEU 80 HG LEU 80 -0.550 2.897 0.109 586 HD11 LEU 80 1HD1 LEU 80 -0.867 0.273 0.243 587 HD12 LEU 80 2HD1 LEU 80 -0.675 1.112 -1.296 588 HD13 LEU 80 3HD1 LEU 80 -2.282 0.643 -0.743 589 HD21 LEU 80 3HD2 LEU 80 -3.539 2.801 0.180 590 HD22 LEU 80 1HD2 LEU 80 -2.687 2.938 -1.359 591 HD23 LEU 80 2HD2 LEU 80 -2.468 4.171 -0.118 592 H VAL 81 H VAL 81 0.481 4.392 1.678 593 HA VAL 81 HA VAL 81 -0.578 6.125 3.709 594 HB VAL 81 HB VAL 81 1.823 7.064 4.138 595 HG11 VAL 81 1HG1 VAL 81 1.122 4.496 5.530 596 HG12 VAL 81 2HG1 VAL 81 1.883 5.941 6.199 597 HG13 VAL 81 3HG1 VAL 81 0.177 5.969 5.750 598 HG21 VAL 81 3HG2 VAL 81 2.355 4.242 3.252 599 HG22 VAL 81 1HG2 VAL 81 3.135 5.729 2.714 600 HG23 VAL 81 2HG2 VAL 81 3.444 5.108 4.335 601 H LYS 82 H LYS 82 -1.026 8.029 2.811 602 HA LYS 82 HA LYS 82 -0.404 8.569 0.103 603 HB2 LYS 82 1HB LYS 82 -2.356 9.414 1.688 604 HB3 LYS 82 2HB LYS 82 -1.258 10.765 1.935 605 HG2 LYS 82 1HG LYS 82 -1.469 11.514 -0.211 606 HG3 LYS 82 2HG LYS 82 -1.838 9.911 -0.852 607 HD2 LYS 82 1HD LYS 82 -4.065 10.027 -0.206 608 HD3 LYS 82 2HD LYS 82 -3.751 11.271 1.007 609 HE2 LYS 82 1HE LYS 82 -3.609 12.962 -0.590 610 HE3 LYS 82 2HE LYS 82 -3.324 11.824 -1.907 611 HZ1 LYS 82 3HZ LYS 82 -5.883 12.139 -0.432 612 HZ2 LYS 82 1HZ LYS 82 -5.605 11.073 -1.716 613 HZ3 LYS 82 2HZ LYS 82 -5.561 12.743 -1.979 614 H ILE 83 H ILE 83 1.255 9.610 -0.803 615 HA ILE 83 HA ILE 83 3.529 10.334 0.729 616 HB ILE 83 HB ILE 83 3.061 11.218 -2.107 617 HG12 ILE 83 1HG1 ILE 83 3.556 8.466 -1.033 618 HG13 ILE 83 2HG1 ILE 83 2.502 8.976 -2.347 619 HG21 ILE 83 1HG2 ILE 83 5.313 11.468 -2.246 620 HG22 ILE 83 2HG2 ILE 83 5.131 11.730 -0.513 621 HG23 ILE 83 3HG2 ILE 83 5.641 10.154 -1.117 622 HD11 ILE 83 3HD1 ILE 83 4.807 9.619 -3.461 623 HD12 ILE 83 1HD1 ILE 83 5.402 8.378 -2.359 624 HD13 ILE 83 2HD1 ILE 83 4.154 7.983 -3.542 625 H SER 84 H SER 84 1.425 12.353 -1.333 626 HA SER 84 HA SER 84 2.297 14.704 0.189 627 HB2 SER 84 1HB SER 84 2.336 14.525 -2.416 628 HB3 SER 84 2HB SER 84 0.606 14.843 -2.289 629 HG SER 84 HG SER 84 1.017 16.813 -1.442 630 H GLY 85 H GLY 85 0.925 15.906 1.397 631 HA2 GLY 85 1HA GLY 85 -1.929 15.721 1.135 632 HA3 GLY 85 2HA GLY 85 -1.327 14.873 2.551 633 HA PRO 86 HA PRO 86 -0.975 19.730 2.905 634 HB2 PRO 86 2HB PRO 86 -2.144 20.642 1.150 635 HB3 PRO 86 1HB PRO 86 -3.410 20.806 2.372 636 HG2 PRO 86 1HG PRO 86 -4.524 18.899 1.658 637 HG3 PRO 86 2HG PRO 86 -3.862 19.468 0.114 638 HD2 PRO 86 1HD PRO 86 -3.395 16.978 1.070 639 HD3 PRO 86 2HD PRO 86 -2.211 17.860 0.086 640 H SER 87 H SER 87 -1.790 20.977 4.684 641 HA SER 87 HA SER 87 -3.673 19.521 6.419 642 HB2 SER 87 1HB SER 87 -2.311 20.266 8.366 643 HB3 SER 87 2HB SER 87 -1.432 19.178 7.293 644 HG SER 87 HG SER 87 -0.099 20.740 6.791 645 H SER 88 H SER 88 -4.331 21.052 8.325 646 HA SER 88 HA SER 88 -4.659 23.811 7.418 647 HB2 SER 88 1HB SER 88 -6.631 22.439 6.625 648 HB3 SER 88 2HB SER 88 -7.031 22.167 8.321 649 HG SER 88 HG SER 88 -7.489 24.285 8.566 650 H GLY 89 H GLY 89 -4.015 25.054 9.040 651 HA2 GLY 89 1HA GLY 89 -5.082 25.387 11.483 652 HA3 GLY 89 2HA GLY 89 -3.989 24.038 11.756 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.809 -1.680 29.963 2 HA2 GLY 1 1HA GLY 1 18.220 -4.160 29.441 3 HA3 GLY 1 2HA GLY 1 16.623 -3.476 29.173 4 H SER 2 H SER 2 19.984 -3.365 28.087 5 HA SER 2 HA SER 2 19.178 -2.038 25.616 6 HB2 SER 2 1HB SER 2 21.855 -2.715 26.829 7 HB3 SER 2 2HB SER 2 21.703 -2.151 25.165 8 HG SER 2 HG SER 2 21.378 -0.775 27.547 9 H SER 3 H SER 3 19.115 -2.997 23.655 10 HA SER 3 HA SER 3 20.097 -5.746 23.390 11 HB2 SER 3 1HB SER 3 17.283 -4.801 22.862 12 HB3 SER 3 2HB SER 3 17.939 -6.247 22.094 13 HG SER 3 HG SER 3 16.764 -6.407 24.232 14 H GLY 4 H GLY 4 21.458 -5.761 21.735 15 HA2 GLY 4 1HA GLY 4 21.027 -3.856 19.532 16 HA3 GLY 4 2HA GLY 4 22.562 -4.607 19.942 17 H SER 5 H SER 5 19.382 -6.116 19.524 18 HA SER 5 HA SER 5 20.571 -7.804 17.427 19 HB2 SER 5 1HB SER 5 19.857 -9.247 19.127 20 HB3 SER 5 2HB SER 5 18.411 -8.295 19.460 21 HG SER 5 HG SER 5 17.571 -9.002 17.462 22 H SER 6 H SER 6 20.189 -6.465 15.668 23 HA SER 6 HA SER 6 17.348 -6.123 14.960 24 HB2 SER 6 1HB SER 6 17.927 -4.059 13.790 25 HB3 SER 6 2HB SER 6 18.427 -3.954 15.478 26 HG SER 6 HG SER 6 20.516 -4.874 14.425 27 H GLY 7 H GLY 7 16.821 -7.418 13.336 28 HA2 GLY 7 1HA GLY 7 17.463 -7.498 10.809 29 HA3 GLY 7 2HA GLY 7 18.906 -8.268 11.453 30 H GLY 8 H GLY 8 18.824 -10.380 12.147 31 HA2 GLY 8 1HA GLY 8 17.507 -12.285 12.914 32 HA3 GLY 8 2HA GLY 8 16.219 -11.738 11.850 33 H TYR 9 H TYR 9 18.242 -14.162 12.173 34 HA TYR 9 HA TYR 9 19.623 -14.373 9.736 35 HB2 TYR 9 1HB TYR 9 19.985 -16.650 10.294 36 HB3 TYR 9 2HB TYR 9 19.940 -15.785 11.826 37 HD1 TYR 9 2HD TYR 9 17.726 -17.712 9.521 38 HD2 TYR 9 1HD TYR 9 18.577 -16.570 13.531 39 HE1 TYR 9 2HE TYR 9 15.968 -19.233 10.321 40 HE2 TYR 9 1HE TYR 9 16.822 -18.090 14.342 41 HH TYR 9 HH TYR 9 15.678 -20.207 13.480 42 HA PRO 10 HA PRO 10 20.204 -16.184 8.371 43 HB2 PRO 10 2HB PRO 10 19.845 -17.332 6.414 44 HB3 PRO 10 1HB PRO 10 20.414 -15.824 5.689 45 HG2 PRO 10 1HG PRO 10 18.262 -15.084 5.232 46 HG3 PRO 10 2HG PRO 10 18.033 -16.832 5.045 47 HD2 PRO 10 1HD PRO 10 16.539 -15.341 6.741 48 HD3 PRO 10 2HD PRO 10 16.955 -17.035 7.071 49 H ASN 11 H ASN 11 21.925 -14.808 8.350 50 HA ASN 11 HA ASN 11 21.510 -12.052 8.586 51 HB2 ASN 11 1HB ASN 11 23.835 -11.852 8.858 52 HB3 ASN 11 2HB ASN 11 23.482 -13.481 9.426 53 HD21 ASN 11 2HD2 ASN 11 26.427 -13.372 7.088 54 HD22 ASN 11 1HD2 ASN 11 25.980 -12.417 8.456 55 H GLY 12 H GLY 12 21.829 -10.325 7.218 56 HA2 GLY 12 1HA GLY 12 22.946 -9.693 5.019 57 HA3 GLY 12 2HA GLY 12 22.009 -11.024 4.357 58 H THR 13 H THR 13 19.673 -10.854 4.405 59 HA THR 13 HA THR 13 18.570 -8.725 3.232 60 HB THR 13 HB THR 13 17.102 -10.177 5.438 61 HG1 THR 13 1HG THR 13 16.827 -11.833 4.048 62 HG21 THR 13 3HG2 THR 13 16.193 -8.106 4.030 63 HG22 THR 13 1HG2 THR 13 15.156 -9.457 4.485 64 HG23 THR 13 2HG2 THR 13 15.848 -9.384 2.865 65 H SER 14 H SER 14 17.777 -6.726 3.712 66 HA SER 14 HA SER 14 18.317 -5.735 6.433 67 HB2 SER 14 1HB SER 14 18.435 -3.470 5.322 68 HB3 SER 14 2HB SER 14 19.712 -4.591 4.852 69 HG SER 14 HG SER 14 18.920 -4.690 2.884 70 H ALA 15 H ALA 15 16.950 -3.514 6.658 71 HA ALA 15 HA ALA 15 14.394 -4.165 7.324 72 HB1 ALA 15 3HB ALA 15 15.063 -2.111 8.123 73 HB2 ALA 15 1HB ALA 15 15.650 -1.570 6.550 74 HB3 ALA 15 2HB ALA 15 13.916 -1.643 6.868 75 H ALA 16 H ALA 16 12.322 -3.319 6.349 76 HA ALA 16 HA ALA 16 11.976 -4.460 3.770 77 HB1 ALA 16 3HB ALA 16 9.978 -2.664 5.106 78 HB2 ALA 16 1HB ALA 16 9.692 -4.033 4.031 79 HB3 ALA 16 2HB ALA 16 10.275 -4.307 5.673 80 H LEU 17 H LEU 17 11.023 -3.335 1.910 81 HA LEU 17 HA LEU 17 12.103 -0.607 1.639 82 HB2 LEU 17 1HB LEU 17 13.332 -2.070 0.228 83 HB3 LEU 17 2HB LEU 17 11.860 -2.835 -0.366 84 HG LEU 17 HG LEU 17 13.146 -1.178 -1.886 85 HD11 LEU 17 1HD1 LEU 17 10.421 -1.910 -1.625 86 HD12 LEU 17 2HD1 LEU 17 11.302 -1.450 -3.081 87 HD13 LEU 17 3HD1 LEU 17 10.485 -0.218 -2.120 88 HD21 LEU 17 3HD2 LEU 17 13.027 1.042 -1.497 89 HD22 LEU 17 1HD2 LEU 17 12.881 0.520 0.182 90 HD23 LEU 17 2HD2 LEU 17 11.437 0.937 -0.741 91 H ARG 18 H ARG 18 10.705 0.970 1.207 92 HA ARG 18 HA ARG 18 7.915 0.303 0.774 93 HB2 ARG 18 1HB ARG 18 9.239 3.001 1.109 94 HB3 ARG 18 2HB ARG 18 7.507 2.693 1.114 95 HG2 ARG 18 1HG ARG 18 9.396 1.467 3.105 96 HG3 ARG 18 2HG ARG 18 8.575 3.008 3.365 97 HD2 ARG 18 1HD ARG 18 7.029 0.551 2.630 98 HD3 ARG 18 2HD ARG 18 7.514 0.843 4.300 99 HE ARG 18 HE ARG 18 6.134 3.035 3.012 100 HH11 ARG 18 2HH1 ARG 18 5.869 0.178 4.984 101 HH12 ARG 18 1HH1 ARG 18 4.349 0.638 5.676 102 HH21 ARG 18 1HH2 ARG 18 3.361 2.614 5.067 103 HH22 ARG 18 2HH2 ARG 18 4.132 3.652 3.916 104 H GLU 19 H GLU 19 6.834 0.489 -1.095 105 HA GLU 19 HA GLU 19 8.293 1.594 -3.402 106 HB2 GLU 19 1HB GLU 19 6.065 -0.449 -3.402 107 HB3 GLU 19 2HB GLU 19 6.963 0.109 -4.806 108 HG2 GLU 19 1HG GLU 19 8.343 -1.201 -2.494 109 HG3 GLU 19 2HG GLU 19 7.592 -2.146 -3.779 110 H THR 20 H THR 20 7.093 2.761 -4.994 111 HA THR 20 HA THR 20 4.584 3.929 -3.979 112 HB THR 20 HB THR 20 5.192 6.089 -4.795 113 HG1 THR 20 1HG THR 20 6.586 6.284 -6.368 114 HG21 THR 20 3HG2 THR 20 7.478 6.409 -3.614 115 HG22 THR 20 1HG2 THR 20 7.307 4.710 -3.178 116 HG23 THR 20 2HG2 THR 20 6.094 5.880 -2.659 117 H GLY 21 H GLY 21 2.974 4.370 -5.470 118 HA2 GLY 21 1HA GLY 21 3.493 3.828 -8.294 119 HA3 GLY 21 2HA GLY 21 2.341 2.779 -7.483 120 H VAL 22 H VAL 22 0.464 3.353 -8.436 121 HA VAL 22 HA VAL 22 -0.593 5.977 -7.794 122 HB VAL 22 HB VAL 22 0.549 6.152 -10.064 123 HG11 VAL 22 1HG1 VAL 22 -0.225 3.902 -10.833 124 HG12 VAL 22 2HG1 VAL 22 -1.849 4.577 -10.987 125 HG13 VAL 22 3HG1 VAL 22 -0.532 5.211 -11.975 126 HG21 VAL 22 3HG2 VAL 22 -2.337 6.813 -9.585 127 HG22 VAL 22 1HG2 VAL 22 -0.929 7.874 -9.528 128 HG23 VAL 22 2HG2 VAL 22 -1.527 7.285 -11.079 129 H ILE 23 H ILE 23 -2.612 5.739 -7.110 130 HA ILE 23 HA ILE 23 -3.961 3.309 -7.023 131 HB ILE 23 HB ILE 23 -5.152 6.081 -6.878 132 HG12 ILE 23 1HG1 ILE 23 -3.298 5.477 -5.241 133 HG13 ILE 23 2HG1 ILE 23 -4.828 5.980 -4.529 134 HG21 ILE 23 1HG2 ILE 23 -6.876 4.448 -7.293 135 HG22 ILE 23 2HG2 ILE 23 -6.252 3.412 -6.011 136 HG23 ILE 23 3HG2 ILE 23 -6.967 4.974 -5.613 137 HD11 ILE 23 3HD1 ILE 23 -5.155 4.000 -3.549 138 HD12 ILE 23 1HD1 ILE 23 -4.584 3.097 -4.952 139 HD13 ILE 23 2HD1 ILE 23 -3.425 3.777 -3.810 140 H GLU 24 H GLU 24 -4.097 2.312 -9.019 141 HA GLU 24 HA GLU 24 -5.115 3.581 -11.347 142 HB2 GLU 24 1HB GLU 24 -3.656 1.458 -11.155 143 HB3 GLU 24 2HB GLU 24 -5.173 0.612 -10.883 144 HG2 GLU 24 1HG GLU 24 -4.260 0.671 -13.256 145 HG3 GLU 24 2HG GLU 24 -5.959 1.076 -13.024 146 H LYS 25 H LYS 25 -6.553 1.551 -8.844 147 HA LYS 25 HA LYS 25 -9.197 2.463 -9.689 148 HB2 LYS 25 1HB LYS 25 -8.433 0.056 -10.560 149 HB3 LYS 25 2HB LYS 25 -8.976 -0.412 -8.954 150 HG2 LYS 25 1HG LYS 25 -10.784 1.292 -10.570 151 HG3 LYS 25 2HG LYS 25 -10.595 -0.397 -11.046 152 HD2 LYS 25 1HD LYS 25 -10.958 -0.762 -8.436 153 HD3 LYS 25 2HD LYS 25 -11.814 0.772 -8.603 154 HE2 LYS 25 1HE LYS 25 -13.503 -0.747 -8.992 155 HE3 LYS 25 2HE LYS 25 -12.952 -0.402 -10.631 156 HZ1 LYS 25 3HZ LYS 25 -12.633 -2.568 -10.871 157 HZ2 LYS 25 1HZ LYS 25 -12.970 -2.868 -9.240 158 HZ3 LYS 25 2HZ LYS 25 -11.394 -2.492 -9.722 159 H LEU 26 H LEU 26 -10.817 2.277 -8.043 160 HA LEU 26 HA LEU 26 -9.918 1.543 -5.369 161 HB2 LEU 26 1HB LEU 26 -9.477 4.032 -5.909 162 HB3 LEU 26 2HB LEU 26 -11.225 4.209 -5.767 163 HG LEU 26 HG LEU 26 -10.782 3.024 -3.435 164 HD11 LEU 26 1HD1 LEU 26 -8.448 2.659 -3.624 165 HD12 LEU 26 2HD1 LEU 26 -8.662 3.988 -2.486 166 HD13 LEU 26 3HD1 LEU 26 -8.160 4.320 -4.143 167 HD21 LEU 26 3HD2 LEU 26 -11.421 5.547 -4.279 168 HD22 LEU 26 1HD2 LEU 26 -9.990 5.832 -3.289 169 HD23 LEU 26 2HD2 LEU 26 -11.389 5.009 -2.599 170 H LEU 27 H LEU 27 -11.520 0.742 -4.112 171 HA LEU 27 HA LEU 27 -14.287 1.025 -5.077 172 HB2 LEU 27 1HB LEU 27 -13.018 -1.477 -3.975 173 HB3 LEU 27 2HB LEU 27 -14.707 -1.297 -4.444 174 HG LEU 27 HG LEU 27 -13.620 -0.686 -6.779 175 HD11 LEU 27 1HD1 LEU 27 -11.540 -2.398 -5.432 176 HD12 LEU 27 2HD1 LEU 27 -11.323 -0.780 -6.098 177 HD13 LEU 27 3HD1 LEU 27 -11.647 -2.140 -7.173 178 HD21 LEU 27 3HD2 LEU 27 -15.025 -2.766 -5.809 179 HD22 LEU 27 1HD2 LEU 27 -13.525 -3.585 -6.246 180 HD23 LEU 27 2HD2 LEU 27 -14.423 -2.680 -7.465 181 H THR 28 H THR 28 -15.722 -0.142 -3.195 182 HA THR 28 HA THR 28 -15.355 1.593 -0.915 183 HB THR 28 HB THR 28 -17.504 -0.463 -1.468 184 HG1 THR 28 1HG THR 28 -18.663 1.703 -1.735 185 HG21 THR 28 3HG2 THR 28 -17.622 -0.168 0.828 186 HG22 THR 28 1HG2 THR 28 -18.718 1.082 0.243 187 HG23 THR 28 2HG2 THR 28 -17.082 1.509 0.744 188 H SER 29 H SER 29 -14.410 -1.538 -1.751 189 HA SER 29 HA SER 29 -14.156 -2.329 1.073 190 HB2 SER 29 1HB SER 29 -15.377 -4.003 -0.094 191 HB3 SER 29 2HB SER 29 -14.267 -3.961 -1.465 192 HG SER 29 HG SER 29 -14.154 -5.515 0.671 193 H TYR 30 H TYR 30 -12.420 -1.984 -1.971 194 HA TYR 30 HA TYR 30 -9.948 -1.543 -0.583 195 HB2 TYR 30 1HB TYR 30 -8.885 -3.431 -2.125 196 HB3 TYR 30 2HB TYR 30 -9.495 -3.788 -0.513 197 HD1 TYR 30 1HD TYR 30 -10.776 -3.595 -4.024 198 HD2 TYR 30 2HD TYR 30 -10.850 -5.637 -0.292 199 HE1 TYR 30 1HE TYR 30 -12.298 -5.274 -4.980 200 HE2 TYR 30 2HE TYR 30 -12.372 -7.322 -1.238 201 HH TYR 30 HH TYR 30 -14.160 -6.966 -3.776 202 H GLY 31 H GLY 31 -8.095 -1.550 -2.405 203 HA2 GLY 31 1HA GLY 31 -9.140 -0.482 -4.920 204 HA3 GLY 31 2HA GLY 31 -8.181 0.602 -3.923 205 H PHE 32 H PHE 32 -7.511 -0.167 -6.558 206 HA PHE 32 HA PHE 32 -5.228 -1.972 -6.160 207 HB2 PHE 32 1HB PHE 32 -6.613 -1.063 -8.689 208 HB3 PHE 32 2HB PHE 32 -5.170 -2.071 -8.659 209 HD1 PHE 32 2HD PHE 32 -8.730 -1.934 -7.676 210 HD2 PHE 32 1HD PHE 32 -5.314 -4.390 -8.319 211 HE1 PHE 32 2HE PHE 32 -10.142 -3.940 -7.492 212 HE2 PHE 32 1HE PHE 32 -6.721 -6.401 -8.136 213 HZ PHE 32 HZ PHE 32 -9.138 -6.177 -7.721 214 H ILE 33 H ILE 33 -3.151 -1.374 -6.787 215 HA ILE 33 HA ILE 33 -2.769 1.486 -7.383 216 HB ILE 33 HB ILE 33 -1.194 -0.224 -5.461 217 HG12 ILE 33 1HG1 ILE 33 -2.312 2.474 -4.836 218 HG13 ILE 33 2HG1 ILE 33 -3.416 1.104 -4.899 219 HG21 ILE 33 1HG2 ILE 33 0.573 0.934 -6.246 220 HG22 ILE 33 2HG2 ILE 33 -0.434 2.192 -6.959 221 HG23 ILE 33 3HG2 ILE 33 -0.079 2.221 -5.232 222 HD11 ILE 33 3HD1 ILE 33 -1.527 0.056 -3.335 223 HD12 ILE 33 1HD1 ILE 33 -1.314 1.762 -2.940 224 HD13 ILE 33 2HD1 ILE 33 -2.885 0.993 -2.713 225 H GLN 34 H GLN 34 -1.981 1.633 -9.374 226 HA GLN 34 HA GLN 34 -0.490 -0.506 -10.588 227 HB2 GLN 34 1HB GLN 34 -2.000 0.729 -11.987 228 HB3 GLN 34 2HB GLN 34 -1.247 2.256 -11.545 229 HG2 GLN 34 1HG GLN 34 -0.262 1.966 -13.554 230 HG3 GLN 34 2HG GLN 34 0.886 1.058 -12.571 231 HE21 GLN 34 2HE2 GLN 34 0.107 -2.057 -13.940 232 HE22 GLN 34 1HE2 GLN 34 0.875 -1.194 -12.655 233 H CYS 35 H CYS 35 1.505 -0.798 -9.759 234 HA CYS 35 HA CYS 35 3.214 1.042 -8.654 235 HB2 CYS 35 1HB CYS 35 3.587 -1.585 -9.996 236 HB3 CYS 35 2HB CYS 35 5.026 -0.607 -9.736 237 HG CYS 35 HG CYS 35 3.763 -0.392 -6.893 238 H SER 36 H SER 36 4.672 2.515 -9.364 239 HA SER 36 HA SER 36 4.642 3.094 -12.242 240 HB2 SER 36 1HB SER 36 4.060 4.789 -10.256 241 HB3 SER 36 2HB SER 36 5.806 5.029 -10.301 242 HG SER 36 HG SER 36 5.614 5.558 -12.501 243 H GLU 37 H GLU 37 6.450 1.343 -10.272 244 HA GLU 37 HA GLU 37 8.996 2.205 -11.481 245 HB2 GLU 37 1HB GLU 37 8.985 0.454 -9.074 246 HB3 GLU 37 2HB GLU 37 10.141 1.685 -9.560 247 HG2 GLU 37 1HG GLU 37 8.098 3.286 -9.072 248 HG3 GLU 37 2HG GLU 37 7.616 1.949 -8.030 249 H ARG 38 H ARG 38 7.037 -0.579 -10.520 250 HA ARG 38 HA ARG 38 8.736 -2.332 -12.142 251 HB2 ARG 38 1HB ARG 38 7.483 -4.178 -11.068 252 HB3 ARG 38 2HB ARG 38 8.291 -3.138 -9.903 253 HG2 ARG 38 1HG ARG 38 6.251 -2.104 -9.278 254 HG3 ARG 38 2HG ARG 38 5.389 -2.846 -10.627 255 HD2 ARG 38 1HD ARG 38 6.296 -4.042 -8.055 256 HD3 ARG 38 2HD ARG 38 4.758 -4.218 -8.898 257 HE ARG 38 HE ARG 38 5.657 -5.944 -10.143 258 HH11 ARG 38 2HH1 ARG 38 8.141 -4.382 -8.270 259 HH12 ARG 38 1HH1 ARG 38 9.321 -5.616 -8.563 260 HH21 ARG 38 1HH2 ARG 38 8.785 -7.432 -9.853 261 HH22 ARG 38 2HH2 ARG 38 7.201 -7.576 -10.536 262 H GLN 39 H GLN 39 5.839 -0.604 -12.297 263 HA GLN 39 HA GLN 39 4.184 -0.475 -13.853 264 HB2 GLN 39 1HB GLN 39 6.328 -1.952 -15.287 265 HB3 GLN 39 2HB GLN 39 4.721 -1.973 -16.000 266 HG2 GLN 39 1HG GLN 39 4.816 0.593 -15.680 267 HG3 GLN 39 2HG GLN 39 6.554 0.337 -15.543 268 HE21 GLN 39 2HE2 GLN 39 6.929 0.446 -18.961 269 HE22 GLN 39 1HE2 GLN 39 7.489 0.857 -17.379 270 H ALA 40 H ALA 40 3.690 -2.171 -11.793 271 HA ALA 40 HA ALA 40 2.148 -4.305 -13.106 272 HB1 ALA 40 3HB ALA 40 4.142 -5.272 -12.027 273 HB2 ALA 40 1HB ALA 40 3.606 -4.606 -10.484 274 HB3 ALA 40 2HB ALA 40 2.638 -5.835 -11.299 275 H ARG 41 H ARG 41 0.068 -4.455 -12.492 276 HA ARG 41 HA ARG 41 -1.030 -2.416 -10.813 277 HB2 ARG 41 1HB ARG 41 -2.103 -4.631 -12.483 278 HB3 ARG 41 2HB ARG 41 -3.136 -4.013 -11.202 279 HG2 ARG 41 1HG ARG 41 -3.403 -1.979 -12.203 280 HG3 ARG 41 2HG ARG 41 -1.848 -2.063 -13.035 281 HD2 ARG 41 1HD ARG 41 -2.688 -3.282 -14.774 282 HD3 ARG 41 2HD ARG 41 -3.931 -4.042 -13.782 283 HE ARG 41 HE ARG 41 -4.715 -1.456 -13.880 284 HH11 ARG 41 2HH1 ARG 41 -3.837 -3.784 -16.315 285 HH12 ARG 41 1HH1 ARG 41 -4.879 -3.108 -17.523 286 HH21 ARG 41 1HH2 ARG 41 -6.161 -1.272 -17.036 287 HH22 ARG 41 2HH2 ARG 41 -6.091 -0.557 -15.461 288 H LEU 42 H LEU 42 -0.663 -2.553 -8.682 289 HA LEU 42 HA LEU 42 -0.689 -5.121 -7.330 290 HB2 LEU 42 1HB LEU 42 0.109 -2.349 -6.645 291 HB3 LEU 42 2HB LEU 42 -0.391 -3.397 -5.320 292 HG LEU 42 HG LEU 42 1.950 -3.737 -7.177 293 HD11 LEU 42 1HD1 LEU 42 2.448 -4.122 -4.383 294 HD12 LEU 42 2HD1 LEU 42 1.628 -2.582 -4.640 295 HD13 LEU 42 3HD1 LEU 42 3.135 -2.931 -5.487 296 HD21 LEU 42 3HD2 LEU 42 2.247 -5.833 -5.603 297 HD22 LEU 42 1HD2 LEU 42 1.316 -5.931 -7.098 298 HD23 LEU 42 2HD2 LEU 42 0.485 -5.753 -5.553 299 H PHE 43 H PHE 43 -1.907 -5.294 -5.235 300 HA PHE 43 HA PHE 43 -4.541 -3.993 -5.447 301 HB2 PHE 43 1HB PHE 43 -5.188 -6.112 -6.011 302 HB3 PHE 43 2HB PHE 43 -3.828 -6.863 -5.182 303 HD1 PHE 43 2HD PHE 43 -6.330 -4.510 -3.786 304 HD2 PHE 43 1HD PHE 43 -4.858 -8.502 -3.886 305 HE1 PHE 43 2HE PHE 43 -7.805 -5.097 -1.907 306 HE2 PHE 43 1HE PHE 43 -6.332 -9.096 -2.007 307 HZ PHE 43 HZ PHE 43 -7.807 -7.392 -1.014 308 H PHE 44 H PHE 44 -4.612 -2.579 -3.820 309 HA PHE 44 HA PHE 44 -3.512 -3.357 -1.212 310 HB2 PHE 44 1HB PHE 44 -3.089 -1.142 -0.776 311 HB3 PHE 44 2HB PHE 44 -2.972 -1.120 -2.532 312 HD1 PHE 44 2HD PHE 44 -4.972 -0.143 0.364 313 HD2 PHE 44 1HD PHE 44 -4.678 -0.072 -3.881 314 HE1 PHE 44 2HE PHE 44 -6.726 1.580 0.276 315 HE2 PHE 44 1HE PHE 44 -6.431 1.652 -3.977 316 HZ PHE 44 HZ PHE 44 -7.458 2.479 -1.897 317 H HIS 45 H HIS 45 -4.746 -3.366 0.627 318 HA HIS 45 HA HIS 45 -7.639 -3.367 0.204 319 HB2 HIS 45 1HB HIS 45 -6.098 -5.169 1.479 320 HB3 HIS 45 2HB HIS 45 -6.506 -4.126 2.839 321 HD1 HIS 45 1HD HIS 45 -9.399 -3.499 2.380 322 HD2 HIS 45 2HD HIS 45 -7.791 -7.264 1.675 323 HE1 HIS 45 1HE HIS 45 -11.340 -5.092 2.501 324 HE2 HIS 45 2HE HIS 45 -10.330 -7.373 2.155 325 H CYS 46 H CYS 46 -9.053 -2.079 1.331 326 HA CYS 46 HA CYS 46 -8.280 0.488 2.026 327 HB2 CYS 46 1HB CYS 46 -10.719 -1.125 2.754 328 HB3 CYS 46 2HB CYS 46 -10.530 0.552 3.249 329 HG CYS 46 HG CYS 46 -12.244 0.353 1.005 330 H SER 47 H SER 47 -7.874 -2.375 3.784 331 HA SER 47 HA SER 47 -7.914 -1.175 6.407 332 HB2 SER 47 1HB SER 47 -8.534 -3.533 6.123 333 HB3 SER 47 2HB SER 47 -6.923 -3.890 5.501 334 HG SER 47 HG SER 47 -7.482 -2.864 8.088 335 H GLN 48 H GLN 48 -5.551 -1.922 3.949 336 HA GLN 48 HA GLN 48 -3.225 -1.724 5.522 337 HB2 GLN 48 1HB GLN 48 -3.471 -0.984 2.606 338 HB3 GLN 48 2HB GLN 48 -2.022 -1.510 3.454 339 HG2 GLN 48 1HG GLN 48 -4.467 -3.202 2.982 340 HG3 GLN 48 2HG GLN 48 -2.983 -3.263 2.033 341 HE21 GLN 48 2HE2 GLN 48 -2.902 -5.972 4.538 342 HE22 GLN 48 1HE2 GLN 48 -3.940 -5.512 3.236 343 H TYR 49 H TYR 49 -4.897 0.698 3.525 344 HA TYR 49 HA TYR 49 -3.208 2.846 3.908 345 HB2 TYR 49 1HB TYR 49 -5.202 2.786 2.396 346 HB3 TYR 49 2HB TYR 49 -6.226 3.006 3.811 347 HD1 TYR 49 2HD TYR 49 -3.043 4.622 2.693 348 HD2 TYR 49 1HD TYR 49 -7.116 5.133 3.811 349 HE1 TYR 49 2HE TYR 49 -2.785 7.060 2.494 350 HE2 TYR 49 1HE TYR 49 -6.870 7.572 3.615 351 HH TYR 49 HH TYR 49 -4.750 9.229 3.800 352 H ASN 50 H ASN 50 -2.692 4.131 5.562 353 HA ASN 50 HA ASN 50 -3.784 3.568 8.171 354 HB2 ASN 50 1HB ASN 50 -1.477 3.937 8.239 355 HB3 ASN 50 2HB ASN 50 -1.566 5.308 7.136 356 HD21 ASN 50 2HD2 ASN 50 -2.257 7.681 9.609 357 HD22 ASN 50 1HD2 ASN 50 -2.304 7.311 7.922 358 H GLY 51 H GLY 51 -3.806 6.266 5.882 359 HA2 GLY 51 1HA GLY 51 -5.182 8.083 7.575 360 HA3 GLY 51 2HA GLY 51 -5.034 8.209 5.828 361 H ASN 52 H ASN 52 -7.105 8.752 5.327 362 HA ASN 52 HA ASN 52 -9.171 6.763 6.006 363 HB2 ASN 52 1HB ASN 52 -10.748 8.821 5.642 364 HB3 ASN 52 2HB ASN 52 -9.913 8.623 7.180 365 HD21 ASN 52 2HD2 ASN 52 -9.466 11.967 5.148 366 HD22 ASN 52 1HD2 ASN 52 -10.727 10.808 4.922 367 H LEU 53 H LEU 53 -9.552 5.600 4.237 368 HA LEU 53 HA LEU 53 -8.911 5.931 1.674 369 HB2 LEU 53 1HB LEU 53 -11.272 4.713 2.976 370 HB3 LEU 53 2HB LEU 53 -11.366 4.952 1.232 371 HG LEU 53 HG LEU 53 -10.589 2.677 2.051 372 HD11 LEU 53 1HD1 LEU 53 -8.391 3.253 0.389 373 HD12 LEU 53 2HD1 LEU 53 -9.707 4.311 -0.119 374 HD13 LEU 53 3HD1 LEU 53 -9.950 2.565 -0.067 375 HD21 LEU 53 3HD2 LEU 53 -8.471 2.383 2.937 376 HD22 LEU 53 1HD2 LEU 53 -9.026 3.840 3.762 377 HD23 LEU 53 2HD2 LEU 53 -7.913 3.968 2.400 378 H GLN 54 H GLN 54 -11.720 7.458 3.196 379 HA GLN 54 HA GLN 54 -13.019 8.593 1.105 380 HB2 GLN 54 1HB GLN 54 -12.435 9.577 3.866 381 HB3 GLN 54 2HB GLN 54 -13.230 10.659 2.730 382 HG2 GLN 54 1HG GLN 54 -14.311 7.912 3.099 383 HG3 GLN 54 2HG GLN 54 -14.616 9.130 4.336 384 HE21 GLN 54 2HE2 GLN 54 -16.355 9.414 0.657 385 HE22 GLN 54 1HE2 GLN 54 -14.985 8.395 0.918 386 H ASP 55 H ASP 55 -10.145 9.961 2.696 387 HA ASP 55 HA ASP 55 -9.921 12.190 0.967 388 HB2 ASP 55 1HB ASP 55 -8.864 12.091 3.198 389 HB3 ASP 55 2HB ASP 55 -7.767 10.844 2.611 390 H LEU 56 H LEU 56 -8.603 8.930 0.879 391 HA LEU 56 HA LEU 56 -6.801 9.369 -1.267 392 HB2 LEU 56 1HB LEU 56 -7.054 7.396 0.467 393 HB3 LEU 56 2HB LEU 56 -8.042 6.701 -0.815 394 HG LEU 56 HG LEU 56 -6.124 6.829 -2.345 395 HD11 LEU 56 1HD1 LEU 56 -4.847 8.114 0.029 396 HD12 LEU 56 2HD1 LEU 56 -4.788 8.582 -1.670 397 HD13 LEU 56 3HD1 LEU 56 -3.866 7.188 -1.108 398 HD21 LEU 56 3HD2 LEU 56 -6.153 4.725 -1.499 399 HD22 LEU 56 1HD2 LEU 56 -6.082 5.276 0.175 400 HD23 LEU 56 2HD2 LEU 56 -4.618 5.254 -0.808 401 H LYS 57 H LYS 57 -7.008 8.979 -3.452 402 HA LYS 57 HA LYS 57 -9.619 8.190 -4.495 403 HB2 LYS 57 1HB LYS 57 -9.660 10.101 -6.060 404 HB3 LYS 57 2HB LYS 57 -9.775 10.609 -4.381 405 HG2 LYS 57 1HG LYS 57 -8.248 12.118 -5.098 406 HG3 LYS 57 2HG LYS 57 -7.144 10.812 -4.660 407 HD2 LYS 57 1HD LYS 57 -6.371 11.264 -6.759 408 HD3 LYS 57 2HD LYS 57 -7.612 10.075 -7.163 409 HE2 LYS 57 1HE LYS 57 -9.137 11.755 -7.826 410 HE3 LYS 57 2HE LYS 57 -8.159 13.032 -7.104 411 HZ1 LYS 57 3HZ LYS 57 -6.809 13.121 -8.881 412 HZ2 LYS 57 1HZ LYS 57 -8.118 12.422 -9.694 413 HZ3 LYS 57 2HZ LYS 57 -6.845 11.451 -9.150 414 H VAL 58 H VAL 58 -9.510 7.985 -6.951 415 HA VAL 58 HA VAL 58 -7.193 6.393 -7.592 416 HB VAL 58 HB VAL 58 -9.660 7.074 -9.194 417 HG11 VAL 58 1HG1 VAL 58 -8.714 6.246 -11.024 418 HG12 VAL 58 2HG1 VAL 58 -7.176 6.189 -10.160 419 HG13 VAL 58 3HG1 VAL 58 -8.239 4.782 -10.164 420 HG21 VAL 58 3HG2 VAL 58 -9.807 5.570 -7.139 421 HG22 VAL 58 1HG2 VAL 58 -10.445 4.927 -8.652 422 HG23 VAL 58 2HG2 VAL 58 -8.866 4.403 -8.068 423 H GLY 59 H GLY 59 -5.379 7.247 -8.356 424 HA2 GLY 59 1HA GLY 59 -4.365 8.304 -10.329 425 HA3 GLY 59 2HA GLY 59 -5.596 9.551 -10.194 426 H ASP 60 H ASP 60 -4.334 8.469 -7.219 427 HA ASP 60 HA ASP 60 -2.611 10.856 -7.075 428 HB2 ASP 60 1HB ASP 60 -4.577 9.702 -5.155 429 HB3 ASP 60 2HB ASP 60 -3.136 10.469 -4.495 430 H ASP 61 H ASP 61 -0.625 10.692 -6.055 431 HA ASP 61 HA ASP 61 0.610 8.121 -6.152 432 HB2 ASP 61 1HB ASP 61 1.516 10.887 -5.442 433 HB3 ASP 61 2HB ASP 61 2.541 9.511 -5.042 434 H VAL 62 H VAL 62 1.292 6.803 -4.511 435 HA VAL 62 HA VAL 62 0.936 7.601 -1.744 436 HB VAL 62 HB VAL 62 -0.346 5.357 -1.376 437 HG11 VAL 62 1HG1 VAL 62 -1.917 6.794 -0.753 438 HG12 VAL 62 2HG1 VAL 62 -1.125 8.056 -1.699 439 HG13 VAL 62 3HG1 VAL 62 -2.375 7.053 -2.436 440 HG21 VAL 62 3HG2 VAL 62 -0.395 4.384 -3.491 441 HG22 VAL 62 1HG2 VAL 62 -2.003 5.091 -3.334 442 HG23 VAL 62 2HG2 VAL 62 -0.770 5.910 -4.292 443 H GLU 63 H GLU 63 2.105 6.350 -0.290 444 HA GLU 63 HA GLU 63 4.041 4.531 -1.540 445 HB2 GLU 63 1HB GLU 63 4.789 6.584 -0.219 446 HB3 GLU 63 2HB GLU 63 4.239 5.732 1.217 447 HG2 GLU 63 1HG GLU 63 5.781 3.824 0.265 448 HG3 GLU 63 2HG GLU 63 6.565 5.181 -0.543 449 H PHE 64 H PHE 64 4.229 2.441 -0.939 450 HA PHE 64 HA PHE 64 2.842 1.481 1.438 451 HB2 PHE 64 1HB PHE 64 1.903 -0.433 -0.034 452 HB3 PHE 64 2HB PHE 64 1.073 1.120 -0.045 453 HD1 PHE 64 1HD PHE 64 1.420 2.678 -1.958 454 HD2 PHE 64 2HD PHE 64 2.859 -1.327 -1.992 455 HE1 PHE 64 1HE PHE 64 1.649 2.784 -4.406 456 HE2 PHE 64 2HE PHE 64 3.091 -1.227 -4.439 457 HZ PHE 64 HZ PHE 64 2.486 0.831 -5.649 458 H GLU 65 H GLU 65 3.190 -1.046 1.530 459 HA GLU 65 HA GLU 65 5.987 -1.577 0.765 460 HB2 GLU 65 1HB GLU 65 6.233 -1.428 3.038 461 HB3 GLU 65 2HB GLU 65 4.574 -1.914 3.359 462 HG2 GLU 65 1HG GLU 65 5.066 -4.179 3.147 463 HG3 GLU 65 2HG GLU 65 6.577 -3.866 2.296 464 H VAL 66 H VAL 66 6.089 -3.128 -0.706 465 HA VAL 66 HA VAL 66 3.939 -4.901 -1.263 466 HB VAL 66 HB VAL 66 6.797 -4.841 -2.220 467 HG11 VAL 66 1HG1 VAL 66 5.986 -7.156 -2.223 468 HG12 VAL 66 2HG1 VAL 66 4.577 -6.656 -3.161 469 HG13 VAL 66 3HG1 VAL 66 6.192 -6.533 -3.860 470 HG21 VAL 66 3HG2 VAL 66 6.064 -3.442 -3.788 471 HG22 VAL 66 1HG2 VAL 66 4.733 -4.522 -4.206 472 HG23 VAL 66 2HG2 VAL 66 4.540 -3.347 -2.905 473 H SER 67 H SER 67 3.415 -6.699 -0.227 474 HA SER 67 HA SER 67 5.547 -8.255 1.078 475 HB2 SER 67 1HB SER 67 3.911 -6.854 2.591 476 HB3 SER 67 2HB SER 67 2.796 -8.179 2.262 477 HG SER 67 HG SER 67 3.907 -9.411 3.551 478 H SER 68 H SER 68 4.481 -10.487 1.787 479 HA SER 68 HA SER 68 3.183 -11.547 -0.634 480 HB2 SER 68 1HB SER 68 4.137 -13.777 0.476 481 HB3 SER 68 2HB SER 68 5.137 -12.753 -0.555 482 HG SER 68 HG SER 68 5.259 -13.186 2.178 483 H ASP 69 H ASP 69 1.195 -12.340 -0.469 484 HA ASP 69 HA ASP 69 -0.311 -12.200 1.888 485 HB2 ASP 69 1HB ASP 69 -1.098 -12.277 -0.574 486 HB3 ASP 69 2HB ASP 69 -1.026 -14.028 -0.391 487 H ARG 70 H ARG 70 -1.457 -14.037 2.932 488 HA ARG 70 HA ARG 70 0.457 -16.189 3.472 489 HB2 ARG 70 1HB ARG 70 -2.037 -15.581 5.051 490 HB3 ARG 70 2HB ARG 70 -0.620 -16.488 5.563 491 HG2 ARG 70 1HG ARG 70 -0.584 -13.548 4.928 492 HG3 ARG 70 2HG ARG 70 -0.818 -14.208 6.548 493 HD2 ARG 70 1HD ARG 70 1.472 -13.726 6.428 494 HD3 ARG 70 2HD ARG 70 1.367 -15.466 6.165 495 HE ARG 70 HE ARG 70 1.381 -13.876 3.755 496 HH11 ARG 70 2HH1 ARG 70 3.289 -15.587 6.111 497 HH12 ARG 70 1HH1 ARG 70 4.642 -15.802 5.051 498 HH21 ARG 70 1HH2 ARG 70 4.565 -14.985 2.912 499 HH22 ARG 70 2HH2 ARG 70 3.156 -14.153 2.350 500 H ARG 71 H ARG 71 -2.065 -15.700 1.476 501 HA ARG 71 HA ARG 71 -3.017 -18.479 1.712 502 HB2 ARG 71 1HB ARG 71 -4.474 -16.125 0.496 503 HB3 ARG 71 2HB ARG 71 -5.097 -17.761 0.663 504 HG2 ARG 71 1HG ARG 71 -4.234 -16.205 3.066 505 HG3 ARG 71 2HG ARG 71 -5.830 -15.965 2.353 506 HD2 ARG 71 1HD ARG 71 -5.862 -18.615 2.476 507 HD3 ARG 71 2HD ARG 71 -4.711 -18.319 3.778 508 HE ARG 71 HE ARG 71 -7.517 -17.914 3.871 509 HH11 ARG 71 2HH1 ARG 71 -4.498 -16.592 4.994 510 HH12 ARG 71 1HH1 ARG 71 -5.189 -15.878 6.413 511 HH21 ARG 71 1HH2 ARG 71 -7.430 -16.098 6.834 512 HH22 ARG 71 2HH2 ARG 71 -8.438 -16.977 5.736 513 H THR 72 H THR 72 -2.654 -15.896 -0.725 514 HA THR 72 HA THR 72 -2.107 -17.945 -2.747 515 HB THR 72 HB THR 72 -2.504 -16.255 -4.415 516 HG1 THR 72 1HG THR 72 -3.091 -14.305 -2.473 517 HG21 THR 72 3HG2 THR 72 -4.825 -15.493 -3.741 518 HG22 THR 72 1HG2 THR 72 -4.524 -16.253 -2.179 519 HG23 THR 72 2HG2 THR 72 -4.528 -17.228 -3.648 520 H GLY 73 H GLY 73 -0.454 -15.891 -0.687 521 HA2 GLY 73 1HA GLY 73 1.743 -15.245 -0.544 522 HA3 GLY 73 2HA GLY 73 2.079 -16.543 -1.681 523 H LYS 74 H LYS 74 -0.137 -14.209 -2.801 524 HA LYS 74 HA LYS 74 1.702 -13.349 -4.837 525 HB2 LYS 74 1HB LYS 74 -1.074 -12.290 -4.293 526 HB3 LYS 74 2HB LYS 74 -0.168 -12.184 -5.797 527 HG2 LYS 74 1HG LYS 74 -0.825 -14.861 -4.655 528 HG3 LYS 74 2HG LYS 74 -2.056 -13.948 -5.530 529 HD2 LYS 74 1HD LYS 74 -0.362 -13.725 -7.402 530 HD3 LYS 74 2HD LYS 74 0.604 -14.927 -6.543 531 HE2 LYS 74 1HE LYS 74 -0.609 -16.210 -8.049 532 HE3 LYS 74 2HE LYS 74 -1.554 -16.343 -6.567 533 HZ1 LYS 74 3HZ LYS 74 -2.180 -14.248 -8.543 534 HZ2 LYS 74 1HZ LYS 74 -3.188 -14.957 -7.383 535 HZ3 LYS 74 2HZ LYS 74 -2.750 -15.825 -8.767 536 HA PRO 75 HA PRO 75 3.191 -9.638 -3.020 537 HB2 PRO 75 2HB PRO 75 4.574 -9.448 -4.845 538 HB3 PRO 75 1HB PRO 75 3.512 -8.086 -5.224 539 HG2 PRO 75 1HG PRO 75 2.264 -9.318 -6.745 540 HG3 PRO 75 2HG PRO 75 3.853 -10.073 -6.966 541 HD2 PRO 75 1HD PRO 75 1.639 -11.496 -6.327 542 HD3 PRO 75 2HD PRO 75 3.263 -11.956 -5.775 543 H ILE 76 H ILE 76 1.572 -8.758 -1.782 544 HA ILE 76 HA ILE 76 -0.345 -6.995 -3.160 545 HB ILE 76 HB ILE 76 -1.772 -7.197 -1.158 546 HG12 ILE 76 1HG1 ILE 76 -0.127 -9.516 -0.227 547 HG13 ILE 76 2HG1 ILE 76 0.353 -7.889 0.243 548 HG21 ILE 76 1HG2 ILE 76 -2.129 -8.657 -3.086 549 HG22 ILE 76 2HG2 ILE 76 -1.023 -9.843 -2.394 550 HG23 ILE 76 3HG2 ILE 76 -2.542 -9.473 -1.578 551 HD11 ILE 76 3HD1 ILE 76 -1.335 -7.678 1.698 552 HD12 ILE 76 1HD1 ILE 76 -2.484 -8.510 0.650 553 HD13 ILE 76 2HD1 ILE 76 -1.355 -9.441 1.635 554 H ALA 77 H ALA 77 -0.983 -5.041 -1.961 555 HA ALA 77 HA ALA 77 1.369 -3.775 -0.797 556 HB1 ALA 77 3HB ALA 77 -0.573 -2.889 -2.547 557 HB2 ALA 77 1HB ALA 77 -0.991 -2.098 -1.027 558 HB3 ALA 77 2HB ALA 77 0.619 -1.888 -1.717 559 H VAL 78 H VAL 78 1.454 -2.874 1.237 560 HA VAL 78 HA VAL 78 -0.871 -3.136 2.989 561 HB VAL 78 HB VAL 78 0.499 -4.168 4.777 562 HG11 VAL 78 1HG1 VAL 78 0.142 -5.676 2.199 563 HG12 VAL 78 2HG1 VAL 78 0.621 -6.455 3.708 564 HG13 VAL 78 3HG1 VAL 78 -0.935 -5.631 3.594 565 HG21 VAL 78 3HG2 VAL 78 2.705 -4.384 4.601 566 HG22 VAL 78 1HG2 VAL 78 2.534 -5.320 3.116 567 HG23 VAL 78 2HG2 VAL 78 2.625 -3.561 3.043 568 H LYS 79 H LYS 79 -0.536 -2.033 5.089 569 HA LYS 79 HA LYS 79 -0.187 -0.028 6.134 570 HB2 LYS 79 1HB LYS 79 2.685 -0.559 5.362 571 HB3 LYS 79 2HB LYS 79 2.114 0.390 6.728 572 HG2 LYS 79 1HG LYS 79 1.585 -2.553 6.409 573 HG3 LYS 79 2HG LYS 79 2.957 -1.890 7.298 574 HD2 LYS 79 1HD LYS 79 1.646 -1.106 9.005 575 HD3 LYS 79 2HD LYS 79 0.233 -0.897 7.968 576 HE2 LYS 79 1HE LYS 79 -0.096 -3.308 7.908 577 HE3 LYS 79 2HE LYS 79 1.347 -3.545 8.892 578 HZ1 LYS 79 3HZ LYS 79 -0.198 -1.783 10.313 579 HZ2 LYS 79 1HZ LYS 79 0.007 -3.430 10.639 580 HZ3 LYS 79 2HZ LYS 79 -1.305 -2.910 9.709 581 H LEU 80 H LEU 80 -1.124 0.502 3.670 582 HA LEU 80 HA LEU 80 0.497 2.098 2.019 583 HB2 LEU 80 1HB LEU 80 -2.057 1.119 1.911 584 HB3 LEU 80 2HB LEU 80 -2.329 2.849 2.111 585 HG LEU 80 HG LEU 80 -0.503 2.863 0.115 586 HD11 LEU 80 1HD1 LEU 80 -2.227 0.674 -0.852 587 HD12 LEU 80 2HD1 LEU 80 -0.944 0.220 0.269 588 HD13 LEU 80 3HD1 LEU 80 -0.547 1.055 -1.233 589 HD21 LEU 80 3HD2 LEU 80 -2.199 4.064 -0.663 590 HD22 LEU 80 1HD2 LEU 80 -3.328 3.253 0.423 591 HD23 LEU 80 2HD2 LEU 80 -2.984 2.565 -1.164 592 H VAL 81 H VAL 81 0.568 4.372 1.759 593 HA VAL 81 HA VAL 81 -0.601 6.107 3.735 594 HB VAL 81 HB VAL 81 1.386 5.203 4.936 595 HG11 VAL 81 1HG1 VAL 81 3.138 6.797 3.118 596 HG12 VAL 81 2HG1 VAL 81 3.554 5.466 4.200 597 HG13 VAL 81 3HG1 VAL 81 2.708 5.142 2.686 598 HG21 VAL 81 3HG2 VAL 81 2.292 7.918 4.712 599 HG22 VAL 81 1HG2 VAL 81 0.529 7.860 4.669 600 HG23 VAL 81 2HG2 VAL 81 1.402 7.143 6.022 601 H LYS 82 H LYS 82 -1.100 7.931 2.727 602 HA LYS 82 HA LYS 82 -0.360 8.503 0.089 603 HB2 LYS 82 1HB LYS 82 -2.316 9.398 1.638 604 HB3 LYS 82 2HB LYS 82 -1.188 10.720 1.907 605 HG2 LYS 82 1HG LYS 82 -1.368 11.495 -0.224 606 HG3 LYS 82 2HG LYS 82 -1.707 9.898 -0.896 607 HD2 LYS 82 1HD LYS 82 -3.959 9.972 -0.192 608 HD3 LYS 82 2HD LYS 82 -3.662 11.348 0.873 609 HE2 LYS 82 1HE LYS 82 -3.602 12.854 -0.873 610 HE3 LYS 82 2HE LYS 82 -3.161 11.624 -2.057 611 HZ1 LYS 82 3HZ LYS 82 -5.776 11.394 -0.771 612 HZ2 LYS 82 1HZ LYS 82 -5.308 10.998 -2.348 613 HZ3 LYS 82 2HZ LYS 82 -5.580 12.614 -1.927 614 H ILE 83 H ILE 83 1.344 9.492 -0.791 615 HA ILE 83 HA ILE 83 3.619 10.145 0.757 616 HB ILE 83 HB ILE 83 3.179 11.103 -2.059 617 HG12 ILE 83 1HG1 ILE 83 3.608 8.318 -1.045 618 HG13 ILE 83 2HG1 ILE 83 2.567 8.880 -2.348 619 HG21 ILE 83 1HG2 ILE 83 5.255 11.545 -0.462 620 HG22 ILE 83 2HG2 ILE 83 5.729 9.959 -1.069 621 HG23 ILE 83 3HG2 ILE 83 5.443 11.285 -2.196 622 HD11 ILE 83 3HD1 ILE 83 4.181 7.908 -3.590 623 HD12 ILE 83 1HD1 ILE 83 4.919 9.500 -3.417 624 HD13 ILE 83 2HD1 ILE 83 5.433 8.172 -2.376 625 H SER 84 H SER 84 1.656 12.287 -1.319 626 HA SER 84 HA SER 84 2.613 14.590 0.192 627 HB2 SER 84 1HB SER 84 2.462 14.475 -2.380 628 HB3 SER 84 2HB SER 84 0.727 14.697 -2.155 629 HG SER 84 HG SER 84 1.882 16.679 -2.461 630 H GLY 85 H GLY 85 1.513 15.318 1.880 631 HA2 GLY 85 1HA GLY 85 -0.975 16.239 2.102 632 HA3 GLY 85 2HA GLY 85 -1.261 14.512 2.260 633 HA PRO 86 HA PRO 86 1.252 16.204 6.086 634 HB2 PRO 86 2HB PRO 86 1.938 18.358 5.679 635 HB3 PRO 86 1HB PRO 86 0.569 18.752 6.725 636 HG2 PRO 86 1HG PRO 86 -0.824 19.237 4.932 637 HG3 PRO 86 2HG PRO 86 0.734 19.753 4.261 638 HD2 PRO 86 1HD PRO 86 -0.854 17.939 3.028 639 HD3 PRO 86 2HD PRO 86 0.918 17.888 2.920 640 H SER 87 H SER 87 0.465 15.967 8.154 641 HA SER 87 HA SER 87 -2.453 15.819 8.384 642 HB2 SER 87 1HB SER 87 -1.118 13.789 8.923 643 HB3 SER 87 2HB SER 87 -0.338 14.682 10.229 644 HG SER 87 HG SER 87 -1.967 14.030 11.377 645 H SER 88 H SER 88 -3.097 17.871 8.872 646 HA SER 88 HA SER 88 -1.786 19.673 10.557 647 HB2 SER 88 1HB SER 88 -3.743 20.089 8.931 648 HB3 SER 88 2HB SER 88 -4.784 19.594 10.266 649 HG SER 88 HG SER 88 -4.283 21.373 11.344 650 H GLY 89 H GLY 89 -1.095 18.541 12.407 651 HA2 GLY 89 1HA GLY 89 -3.259 18.024 14.351 652 HA3 GLY 89 2HA GLY 89 -1.852 16.978 14.226 Start of MODEL 7 1 H1 GLY 1 H GLY 1 32.297 -8.210 36.512 2 HA2 GLY 1 1HA GLY 1 31.452 -7.302 34.487 3 HA3 GLY 1 2HA GLY 1 30.011 -7.779 35.373 4 H SER 2 H SER 2 28.565 -6.258 35.949 5 HA SER 2 HA SER 2 27.474 -4.255 35.823 6 HB2 SER 2 1HB SER 2 30.056 -3.700 37.209 7 HB3 SER 2 2HB SER 2 29.048 -2.324 36.763 8 HG SER 2 HG SER 2 27.327 -3.350 37.908 9 H SER 3 H SER 3 28.975 -5.083 33.440 10 HA SER 3 HA SER 3 30.059 -2.663 32.297 11 HB2 SER 3 1HB SER 3 29.493 -5.379 31.086 12 HB3 SER 3 2HB SER 3 30.286 -4.054 30.235 13 HG SER 3 HG SER 3 31.318 -4.816 32.714 14 H GLY 4 H GLY 4 27.202 -4.711 31.739 15 HA2 GLY 4 1HA GLY 4 25.130 -3.242 31.473 16 HA3 GLY 4 2HA GLY 4 26.037 -2.511 30.157 17 H SER 5 H SER 5 23.461 -3.967 30.167 18 HA SER 5 HA SER 5 24.170 -5.971 28.134 19 HB2 SER 5 1HB SER 5 22.264 -7.367 28.934 20 HB3 SER 5 2HB SER 5 23.554 -7.209 30.127 21 HG SER 5 HG SER 5 22.101 -5.281 30.785 22 H SER 6 H SER 6 23.704 -4.503 26.487 23 HA SER 6 HA SER 6 20.835 -3.954 26.136 24 HB2 SER 6 1HB SER 6 22.252 -1.910 26.791 25 HB3 SER 6 2HB SER 6 22.964 -2.044 25.183 26 HG SER 6 HG SER 6 21.227 -0.651 25.064 27 H GLY 7 H GLY 7 20.021 -4.568 24.226 28 HA2 GLY 7 1HA GLY 7 21.646 -4.692 21.845 29 HA3 GLY 7 2HA GLY 7 21.214 -6.272 22.483 30 H GLY 8 H GLY 8 20.389 -5.739 19.999 31 HA2 GLY 8 1HA GLY 8 17.540 -5.017 20.306 32 HA3 GLY 8 2HA GLY 8 18.460 -4.764 18.830 33 H TYR 9 H TYR 9 16.109 -6.588 20.056 34 HA TYR 9 HA TYR 9 16.795 -8.864 18.326 35 HB2 TYR 9 1HB TYR 9 15.723 -8.950 21.140 36 HB3 TYR 9 2HB TYR 9 15.514 -10.297 20.026 37 HD1 TYR 9 1HD TYR 9 17.901 -10.802 18.722 38 HD2 TYR 9 2HD TYR 9 17.424 -9.250 22.655 39 HE1 TYR 9 1HE TYR 9 20.132 -11.647 19.319 40 HE2 TYR 9 2HE TYR 9 19.655 -10.089 23.262 41 HH TYR 9 HH TYR 9 21.777 -11.570 20.866 42 HA PRO 10 HA PRO 10 15.607 -10.918 18.101 43 HB2 PRO 10 2HB PRO 10 13.894 -12.052 17.073 44 HB3 PRO 10 1HB PRO 10 14.858 -11.740 15.624 45 HG2 PRO 10 1HG PRO 10 13.556 -9.924 14.995 46 HG3 PRO 10 2HG PRO 10 12.323 -10.932 15.774 47 HD2 PRO 10 1HD PRO 10 12.804 -8.376 16.527 48 HD3 PRO 10 2HD PRO 10 12.273 -9.625 17.672 49 H ASN 11 H ASN 11 17.012 -11.796 16.133 50 HA ASN 11 HA ASN 11 18.264 -9.515 14.765 51 HB2 ASN 11 1HB ASN 11 20.492 -10.655 15.212 52 HB3 ASN 11 2HB ASN 11 19.722 -9.897 16.602 53 HD21 ASN 11 2HD2 ASN 11 20.901 -13.126 17.775 54 HD22 ASN 11 1HD2 ASN 11 21.558 -11.619 17.243 55 H GLY 12 H GLY 12 18.589 -9.841 12.656 56 HA2 GLY 12 1HA GLY 12 19.567 -11.997 11.330 57 HA3 GLY 12 2HA GLY 12 17.860 -12.379 11.493 58 H THR 13 H THR 13 16.671 -11.843 9.802 59 HA THR 13 HA THR 13 17.685 -9.873 7.905 60 HB THR 13 HB THR 13 15.826 -10.662 6.445 61 HG1 THR 13 1HG THR 13 14.579 -12.396 7.125 62 HG21 THR 13 3HG2 THR 13 17.696 -11.817 5.855 63 HG22 THR 13 1HG2 THR 13 16.752 -13.170 6.476 64 HG23 THR 13 2HG2 THR 13 17.979 -12.412 7.490 65 H SER 14 H SER 14 17.236 -7.854 8.628 66 HA SER 14 HA SER 14 14.396 -7.211 9.062 67 HB2 SER 14 1HB SER 14 15.095 -5.516 10.728 68 HB3 SER 14 2HB SER 14 15.532 -7.151 11.223 69 HG SER 14 HG SER 14 17.618 -6.477 10.015 70 H ALA 15 H ALA 15 13.930 -6.288 7.138 71 HA ALA 15 HA ALA 15 14.933 -3.671 6.608 72 HB1 ALA 15 3HB ALA 15 16.125 -3.986 4.627 73 HB2 ALA 15 1HB ALA 15 16.718 -5.266 5.687 74 HB3 ALA 15 2HB ALA 15 15.540 -5.638 4.427 75 H ALA 16 H ALA 16 13.558 -2.513 5.321 76 HA ALA 16 HA ALA 16 11.478 -3.948 3.842 77 HB1 ALA 16 3HB ALA 16 10.322 -1.679 5.188 78 HB2 ALA 16 1HB ALA 16 9.802 -3.365 5.177 79 HB3 ALA 16 2HB ALA 16 11.003 -2.819 6.348 80 H LEU 17 H LEU 17 11.195 -3.104 1.884 81 HA LEU 17 HA LEU 17 12.177 -0.372 1.392 82 HB2 LEU 17 1HB LEU 17 13.458 -1.886 0.120 83 HB3 LEU 17 2HB LEU 17 12.034 -2.807 -0.360 84 HG LEU 17 HG LEU 17 13.246 -1.220 -2.055 85 HD11 LEU 17 1HD1 LEU 17 10.743 -2.372 -1.887 86 HD12 LEU 17 2HD1 LEU 17 11.469 -1.649 -3.322 87 HD13 LEU 17 3HD1 LEU 17 10.405 -0.689 -2.294 88 HD21 LEU 17 3HD2 LEU 17 12.760 0.676 -0.247 89 HD22 LEU 17 1HD2 LEU 17 11.256 0.783 -1.161 90 HD23 LEU 17 2HD2 LEU 17 12.802 1.005 -1.980 91 H ARG 18 H ARG 18 10.451 0.940 1.548 92 HA ARG 18 HA ARG 18 7.815 0.196 0.786 93 HB2 ARG 18 1HB ARG 18 8.957 2.958 1.245 94 HB3 ARG 18 2HB ARG 18 7.250 2.542 1.192 95 HG2 ARG 18 1HG ARG 18 9.187 1.428 3.206 96 HG3 ARG 18 2HG ARG 18 8.173 2.846 3.481 97 HD2 ARG 18 1HD ARG 18 6.928 0.285 2.580 98 HD3 ARG 18 2HD ARG 18 7.383 0.485 4.272 99 HE ARG 18 HE ARG 18 5.239 1.833 2.868 100 HH11 ARG 18 2HH1 ARG 18 7.285 1.743 5.683 101 HH12 ARG 18 1HH1 ARG 18 6.203 2.680 6.660 102 HH21 ARG 18 1HH2 ARG 18 4.224 3.431 5.783 103 HH22 ARG 18 2HH2 ARG 18 3.806 3.067 4.143 104 H GLU 19 H GLU 19 6.816 0.322 -1.125 105 HA GLU 19 HA GLU 19 8.286 1.547 -3.357 106 HB2 GLU 19 1HB GLU 19 6.065 -0.503 -3.434 107 HB3 GLU 19 2HB GLU 19 6.960 0.102 -4.820 108 HG2 GLU 19 1HG GLU 19 8.389 -1.222 -2.555 109 HG3 GLU 19 2HG GLU 19 7.593 -2.180 -3.802 110 H THR 20 H THR 20 7.109 2.738 -4.959 111 HA THR 20 HA THR 20 4.585 3.892 -3.968 112 HB THR 20 HB THR 20 5.211 6.069 -4.681 113 HG1 THR 20 1HG THR 20 6.881 6.464 -6.018 114 HG21 THR 20 3HG2 THR 20 7.395 4.652 -3.182 115 HG22 THR 20 1HG2 THR 20 6.135 5.714 -2.554 116 HG23 THR 20 2HG2 THR 20 7.466 6.385 -3.496 117 H GLY 21 H GLY 21 3.042 4.473 -5.515 118 HA2 GLY 21 1HA GLY 21 3.606 3.995 -8.328 119 HA3 GLY 21 2HA GLY 21 2.468 2.881 -7.584 120 H VAL 22 H VAL 22 0.559 3.426 -8.454 121 HA VAL 22 HA VAL 22 -0.529 6.036 -7.794 122 HB VAL 22 HB VAL 22 0.569 6.140 -10.123 123 HG11 VAL 22 1HG1 VAL 22 -0.830 5.323 -11.961 124 HG12 VAL 22 2HG1 VAL 22 -0.250 3.999 -10.948 125 HG13 VAL 22 3HG1 VAL 22 -1.914 4.565 -10.796 126 HG21 VAL 22 3HG2 VAL 22 -1.405 7.444 -11.020 127 HG22 VAL 22 1HG2 VAL 22 -2.284 6.923 -9.582 128 HG23 VAL 22 2HG2 VAL 22 -0.833 7.912 -9.418 129 H ILE 23 H ILE 23 -2.619 5.892 -7.247 130 HA ILE 23 HA ILE 23 -3.907 3.412 -7.017 131 HB ILE 23 HB ILE 23 -5.138 6.169 -6.963 132 HG12 ILE 23 1HG1 ILE 23 -3.241 5.511 -5.310 133 HG13 ILE 23 2HG1 ILE 23 -4.708 6.246 -4.673 134 HG21 ILE 23 1HG2 ILE 23 -6.209 3.586 -5.839 135 HG22 ILE 23 2HG2 ILE 23 -6.989 5.165 -5.791 136 HG23 ILE 23 3HG2 ILE 23 -6.763 4.340 -7.333 137 HD11 ILE 23 3HD1 ILE 23 -4.348 3.274 -4.788 138 HD12 ILE 23 1HD1 ILE 23 -3.766 4.242 -3.434 139 HD13 ILE 23 2HD1 ILE 23 -5.486 4.212 -3.823 140 H GLU 24 H GLU 24 -4.077 2.326 -8.951 141 HA GLU 24 HA GLU 24 -5.068 3.491 -11.340 142 HB2 GLU 24 1HB GLU 24 -3.659 1.508 -11.396 143 HB3 GLU 24 2HB GLU 24 -4.866 0.594 -10.502 144 HG2 GLU 24 1HG GLU 24 -6.385 1.322 -12.547 145 HG3 GLU 24 2HG GLU 24 -4.818 1.401 -13.351 146 H LYS 25 H LYS 25 -6.557 1.600 -8.755 147 HA LYS 25 HA LYS 25 -9.171 2.583 -9.577 148 HB2 LYS 25 1HB LYS 25 -8.467 0.152 -10.502 149 HB3 LYS 25 2HB LYS 25 -9.111 -0.309 -8.932 150 HG2 LYS 25 1HG LYS 25 -10.741 1.531 -10.583 151 HG3 LYS 25 2HG LYS 25 -10.622 -0.151 -11.104 152 HD2 LYS 25 1HD LYS 25 -11.466 -0.926 -8.996 153 HD3 LYS 25 2HD LYS 25 -11.407 0.704 -8.320 154 HE2 LYS 25 1HE LYS 25 -12.974 1.203 -10.408 155 HE3 LYS 25 2HE LYS 25 -13.347 -0.509 -10.213 156 HZ1 LYS 25 3HZ LYS 25 -13.382 1.080 -7.783 157 HZ2 LYS 25 1HZ LYS 25 -14.433 -0.144 -8.293 158 HZ3 LYS 25 2HZ LYS 25 -14.606 1.426 -8.899 159 H LEU 26 H LEU 26 -10.771 2.439 -7.923 160 HA LEU 26 HA LEU 26 -9.865 1.581 -5.282 161 HB2 LEU 26 1HB LEU 26 -9.407 4.082 -5.765 162 HB3 LEU 26 2HB LEU 26 -11.150 4.269 -5.586 163 HG LEU 26 HG LEU 26 -10.664 3.007 -3.297 164 HD11 LEU 26 1HD1 LEU 26 -8.059 4.305 -4.043 165 HD12 LEU 26 2HD1 LEU 26 -8.344 2.651 -3.505 166 HD13 LEU 26 3HD1 LEU 26 -8.525 3.990 -2.372 167 HD21 LEU 26 3HD2 LEU 26 -10.693 5.142 -2.213 168 HD22 LEU 26 1HD2 LEU 26 -11.701 5.243 -3.656 169 HD23 LEU 26 2HD2 LEU 26 -10.082 5.942 -3.662 170 H LEU 27 H LEU 27 -11.470 0.800 -4.005 171 HA LEU 27 HA LEU 27 -14.242 1.140 -4.929 172 HB2 LEU 27 1HB LEU 27 -13.045 -1.432 -3.911 173 HB3 LEU 27 2HB LEU 27 -14.706 -1.187 -4.449 174 HG LEU 27 HG LEU 27 -13.463 -0.507 -6.702 175 HD11 LEU 27 1HD1 LEU 27 -11.596 -2.506 -5.434 176 HD12 LEU 27 2HD1 LEU 27 -11.221 -0.813 -5.756 177 HD13 LEU 27 3HD1 LEU 27 -11.529 -1.918 -7.096 178 HD21 LEU 27 3HD2 LEU 27 -14.294 -2.445 -7.536 179 HD22 LEU 27 1HD2 LEU 27 -15.065 -2.504 -5.951 180 HD23 LEU 27 2HD2 LEU 27 -13.595 -3.431 -6.251 181 H THR 28 H THR 28 -15.663 -0.087 -3.072 182 HA THR 28 HA THR 28 -15.288 1.570 -0.750 183 HB THR 28 HB THR 28 -17.372 -0.516 -1.409 184 HG1 THR 28 1HG THR 28 -17.219 2.300 -1.557 185 HG21 THR 28 3HG2 THR 28 -17.222 1.351 0.961 186 HG22 THR 28 1HG2 THR 28 -17.089 -0.406 1.009 187 HG23 THR 28 2HG2 THR 28 -18.610 0.350 0.536 188 H SER 29 H SER 29 -14.607 -1.707 -1.638 189 HA SER 29 HA SER 29 -14.161 -2.500 1.138 190 HB2 SER 29 1HB SER 29 -15.243 -3.936 -0.816 191 HB3 SER 29 2HB SER 29 -13.555 -4.320 -1.152 192 HG SER 29 HG SER 29 -14.476 -4.503 1.485 193 H TYR 30 H TYR 30 -12.391 -2.076 -1.894 194 HA TYR 30 HA TYR 30 -9.975 -1.461 -0.474 195 HB2 TYR 30 1HB TYR 30 -8.732 -3.313 -1.850 196 HB3 TYR 30 2HB TYR 30 -9.492 -3.718 -0.316 197 HD1 TYR 30 1HD TYR 30 -11.173 -3.192 -3.585 198 HD2 TYR 30 2HD TYR 30 -9.992 -5.995 -0.611 199 HE1 TYR 30 1HE TYR 30 -12.499 -4.932 -4.708 200 HE2 TYR 30 2HE TYR 30 -11.313 -7.744 -1.726 201 HH TYR 30 HH TYR 30 -12.854 -7.183 -4.832 202 H GLY 31 H GLY 31 -8.088 -1.554 -2.335 203 HA2 GLY 31 1HA GLY 31 -9.156 -0.545 -4.860 204 HA3 GLY 31 2HA GLY 31 -8.211 0.579 -3.894 205 H PHE 32 H PHE 32 -7.522 -0.221 -6.503 206 HA PHE 32 HA PHE 32 -5.215 -1.990 -6.070 207 HB2 PHE 32 1HB PHE 32 -6.557 -1.142 -8.645 208 HB3 PHE 32 2HB PHE 32 -5.163 -2.211 -8.534 209 HD1 PHE 32 2HD PHE 32 -8.697 -1.879 -7.438 210 HD2 PHE 32 1HD PHE 32 -5.462 -4.500 -8.322 211 HE1 PHE 32 2HE PHE 32 -10.204 -3.810 -7.210 212 HE2 PHE 32 1HE PHE 32 -6.964 -6.435 -8.097 213 HZ PHE 32 HZ PHE 32 -9.338 -6.092 -7.539 214 H ILE 33 H ILE 33 -3.151 -1.385 -6.778 215 HA ILE 33 HA ILE 33 -2.815 1.465 -7.438 216 HB ILE 33 HB ILE 33 -1.164 -0.136 -5.481 217 HG12 ILE 33 1HG1 ILE 33 -2.523 2.467 -4.890 218 HG13 ILE 33 2HG1 ILE 33 -3.467 0.982 -4.880 219 HG21 ILE 33 1HG2 ILE 33 0.505 1.150 -6.286 220 HG22 ILE 33 2HG2 ILE 33 -0.599 2.337 -6.979 221 HG23 ILE 33 3HG2 ILE 33 -0.229 2.378 -5.256 222 HD11 ILE 33 3HD1 ILE 33 -2.878 1.010 -2.706 223 HD12 ILE 33 1HD1 ILE 33 -1.441 0.202 -3.333 224 HD13 ILE 33 2HD1 ILE 33 -1.405 1.934 -3.001 225 H GLN 34 H GLN 34 -1.926 1.626 -9.380 226 HA GLN 34 HA GLN 34 -0.447 -0.553 -10.547 227 HB2 GLN 34 1HB GLN 34 -1.926 0.695 -11.978 228 HB3 GLN 34 2HB GLN 34 -1.137 2.209 -11.555 229 HG2 GLN 34 1HG GLN 34 -0.126 1.862 -13.539 230 HG3 GLN 34 2HG GLN 34 0.972 0.918 -12.533 231 HE21 GLN 34 2HE2 GLN 34 0.220 -2.127 -14.005 232 HE22 GLN 34 1HE2 GLN 34 1.088 -1.253 -12.794 233 H CYS 35 H CYS 35 1.528 -0.855 -9.674 234 HA CYS 35 HA CYS 35 3.230 1.013 -8.578 235 HB2 CYS 35 1HB CYS 35 3.973 -1.504 -10.084 236 HB3 CYS 35 2HB CYS 35 5.051 -0.608 -9.021 237 HG CYS 35 HG CYS 35 2.180 -1.492 -7.559 238 H SER 36 H SER 36 4.433 2.621 -9.344 239 HA SER 36 HA SER 36 4.596 2.985 -12.236 240 HB2 SER 36 1HB SER 36 3.964 4.769 -10.338 241 HB3 SER 36 2HB SER 36 5.709 5.021 -10.373 242 HG SER 36 HG SER 36 5.318 5.126 -12.782 243 H GLU 37 H GLU 37 6.339 1.278 -10.219 244 HA GLU 37 HA GLU 37 8.932 2.153 -11.314 245 HB2 GLU 37 1HB GLU 37 8.823 0.349 -8.950 246 HB3 GLU 37 2HB GLU 37 9.994 1.595 -9.358 247 HG2 GLU 37 1HG GLU 37 7.907 3.168 -8.923 248 HG3 GLU 37 2HG GLU 37 7.417 1.808 -7.915 249 H ARG 38 H ARG 38 6.940 -0.653 -10.485 250 HA ARG 38 HA ARG 38 8.683 -2.348 -12.130 251 HB2 ARG 38 1HB ARG 38 7.755 -4.233 -11.011 252 HB3 ARG 38 2HB ARG 38 8.118 -3.038 -9.773 253 HG2 ARG 38 1HG ARG 38 5.800 -2.418 -9.619 254 HG3 ARG 38 2HG ARG 38 5.392 -3.478 -10.969 255 HD2 ARG 38 1HD ARG 38 6.675 -4.509 -8.456 256 HD3 ARG 38 2HD ARG 38 4.927 -4.345 -8.615 257 HE ARG 38 HE ARG 38 5.870 -5.781 -10.817 258 HH11 ARG 38 2HH1 ARG 38 5.569 -6.132 -7.367 259 HH12 ARG 38 1HH1 ARG 38 5.424 -7.858 -7.424 260 HH21 ARG 38 1HH2 ARG 38 5.488 -8.949 -9.437 261 HH22 ARG 38 2HH2 ARG 38 5.680 -8.052 -10.905 262 H GLN 39 H GLN 39 5.890 -0.570 -12.365 263 HA GLN 39 HA GLN 39 4.196 -0.462 -13.878 264 HB2 GLN 39 1HB GLN 39 5.992 -2.342 -15.419 265 HB3 GLN 39 2HB GLN 39 4.579 -1.535 -16.086 266 HG2 GLN 39 1HG GLN 39 6.676 0.137 -14.815 267 HG3 GLN 39 2HG GLN 39 7.010 -0.571 -16.394 268 HE21 GLN 39 2HE2 GLN 39 5.067 1.682 -18.150 269 HE22 GLN 39 1HE2 GLN 39 6.171 0.353 -18.158 270 H ALA 40 H ALA 40 4.025 -2.390 -11.759 271 HA ALA 40 HA ALA 40 2.330 -4.430 -13.047 272 HB1 ALA 40 3HB ALA 40 2.883 -5.981 -11.331 273 HB2 ALA 40 1HB ALA 40 4.397 -5.301 -11.927 274 HB3 ALA 40 2HB ALA 40 3.722 -4.743 -10.396 275 H ARG 41 H ARG 41 0.250 -4.531 -12.444 276 HA ARG 41 HA ARG 41 -0.816 -2.500 -10.736 277 HB2 ARG 41 1HB ARG 41 -1.919 -4.675 -12.436 278 HB3 ARG 41 2HB ARG 41 -2.942 -4.072 -11.139 279 HG2 ARG 41 1HG ARG 41 -3.215 -2.031 -12.111 280 HG3 ARG 41 2HG ARG 41 -1.647 -2.084 -12.920 281 HD2 ARG 41 1HD ARG 41 -3.895 -3.915 -13.701 282 HD3 ARG 41 2HD ARG 41 -3.750 -2.289 -14.367 283 HE ARG 41 HE ARG 41 -1.301 -3.637 -14.663 284 HH11 ARG 41 2HH1 ARG 41 -4.554 -3.660 -15.901 285 HH12 ARG 41 1HH1 ARG 41 -4.100 -4.290 -17.449 286 HH21 ARG 41 1HH2 ARG 41 -1.901 -4.750 -17.901 287 HH22 ARG 41 2HH2 ARG 41 -0.689 -4.467 -16.698 288 H LEU 42 H LEU 42 -0.661 -2.618 -8.597 289 HA LEU 42 HA LEU 42 -0.662 -5.223 -7.277 290 HB2 LEU 42 1HB LEU 42 0.217 -2.483 -6.563 291 HB3 LEU 42 2HB LEU 42 -0.316 -3.530 -5.249 292 HG LEU 42 HG LEU 42 2.023 -3.906 -7.100 293 HD11 LEU 42 1HD1 LEU 42 1.782 -2.717 -4.625 294 HD12 LEU 42 2HD1 LEU 42 3.273 -3.311 -5.356 295 HD13 LEU 42 3HD1 LEU 42 2.364 -4.339 -4.249 296 HD21 LEU 42 3HD2 LEU 42 2.250 -6.050 -5.586 297 HD22 LEU 42 1HD2 LEU 42 1.316 -6.081 -7.082 298 HD23 LEU 42 2HD2 LEU 42 0.491 -5.918 -5.532 299 H PHE 43 H PHE 43 -1.885 -5.374 -5.180 300 HA PHE 43 HA PHE 43 -4.483 -4.001 -5.389 301 HB2 PHE 43 1HB PHE 43 -5.194 -6.098 -5.952 302 HB3 PHE 43 2HB PHE 43 -3.845 -6.888 -5.142 303 HD1 PHE 43 2HD PHE 43 -6.279 -4.486 -3.708 304 HD2 PHE 43 1HD PHE 43 -4.897 -8.510 -3.843 305 HE1 PHE 43 2HE PHE 43 -7.750 -5.050 -1.818 306 HE2 PHE 43 1HE PHE 43 -6.367 -9.081 -1.954 307 HZ PHE 43 HZ PHE 43 -7.795 -7.350 -0.938 308 H PHE 44 H PHE 44 -4.549 -2.602 -3.754 309 HA PHE 44 HA PHE 44 -3.445 -3.397 -1.152 310 HB2 PHE 44 1HB PHE 44 -3.004 -1.188 -0.713 311 HB3 PHE 44 2HB PHE 44 -2.903 -1.156 -2.470 312 HD1 PHE 44 1HD PHE 44 -4.691 -0.168 -3.801 313 HD2 PHE 44 2HD PHE 44 -4.796 -0.110 0.454 314 HE1 PHE 44 1HE PHE 44 -6.436 1.566 -3.871 315 HE2 PHE 44 2HE PHE 44 -6.542 1.623 0.390 316 HZ PHE 44 HZ PHE 44 -7.365 2.462 -1.774 317 H HIS 45 H HIS 45 -4.670 -3.404 0.693 318 HA HIS 45 HA HIS 45 -7.563 -3.407 0.284 319 HB2 HIS 45 1HB HIS 45 -6.018 -5.192 1.569 320 HB3 HIS 45 2HB HIS 45 -6.409 -4.133 2.921 321 HD1 HIS 45 1HD HIS 45 -9.309 -3.504 2.465 322 HD2 HIS 45 2HD HIS 45 -7.708 -7.284 1.826 323 HE1 HIS 45 1HE HIS 45 -11.251 -5.093 2.628 324 HE2 HIS 45 2HE HIS 45 -10.245 -7.382 2.324 325 H CYS 46 H CYS 46 -8.966 -2.069 1.336 326 HA CYS 46 HA CYS 46 -8.199 0.492 2.020 327 HB2 CYS 46 1HB CYS 46 -10.468 0.272 1.571 328 HB3 CYS 46 2HB CYS 46 -10.639 -1.142 2.604 329 HG CYS 46 HG CYS 46 -12.017 0.439 4.162 330 H SER 47 H SER 47 -7.879 -2.362 3.847 331 HA SER 47 HA SER 47 -7.881 -1.107 6.439 332 HB2 SER 47 1HB SER 47 -7.436 -3.855 5.386 333 HB3 SER 47 2HB SER 47 -6.713 -3.462 6.945 334 HG SER 47 HG SER 47 -8.636 -3.891 7.679 335 H GLN 48 H GLN 48 -5.537 -1.897 3.987 336 HA GLN 48 HA GLN 48 -3.206 -1.720 5.569 337 HB2 GLN 48 1HB GLN 48 -3.459 -1.062 2.632 338 HB3 GLN 48 2HB GLN 48 -1.999 -1.541 3.487 339 HG2 GLN 48 1HG GLN 48 -4.426 -3.274 3.081 340 HG3 GLN 48 2HG GLN 48 -2.938 -3.357 2.141 341 HE21 GLN 48 2HE2 GLN 48 -2.962 -5.918 4.862 342 HE22 GLN 48 1HE2 GLN 48 -4.076 -5.485 3.615 343 H TYR 49 H TYR 49 -4.976 0.684 3.661 344 HA TYR 49 HA TYR 49 -3.236 2.827 3.895 345 HB2 TYR 49 1HB TYR 49 -5.313 2.762 2.500 346 HB3 TYR 49 2HB TYR 49 -6.255 2.999 3.968 347 HD1 TYR 49 2HD TYR 49 -3.067 4.609 2.902 348 HD2 TYR 49 1HD TYR 49 -7.205 5.112 3.751 349 HE1 TYR 49 2HE TYR 49 -2.813 7.044 2.665 350 HE2 TYR 49 1HE TYR 49 -6.964 7.549 3.516 351 HH TYR 49 HH TYR 49 -4.485 9.186 3.789 352 H ASN 50 H ASN 50 -2.666 4.189 5.479 353 HA ASN 50 HA ASN 50 -3.550 3.631 8.166 354 HB2 ASN 50 1HB ASN 50 -1.427 5.311 6.914 355 HB3 ASN 50 2HB ASN 50 -1.954 5.726 8.543 356 HD21 ASN 50 2HD2 ASN 50 0.855 3.126 8.308 357 HD22 ASN 50 1HD2 ASN 50 0.544 4.509 7.320 358 H GLY 51 H GLY 51 -3.910 6.231 5.809 359 HA2 GLY 51 1HA GLY 51 -5.290 7.974 7.635 360 HA3 GLY 51 2HA GLY 51 -5.114 8.204 5.902 361 H ASN 52 H ASN 52 -7.226 8.749 5.486 362 HA ASN 52 HA ASN 52 -9.219 6.638 5.995 363 HB2 ASN 52 1HB ASN 52 -9.414 9.058 7.057 364 HB3 ASN 52 2HB ASN 52 -10.061 9.455 5.467 365 HD21 ASN 52 2HD2 ASN 52 -12.932 8.597 7.528 366 HD22 ASN 52 1HD2 ASN 52 -11.736 9.840 7.429 367 H LEU 53 H LEU 53 -9.629 5.549 4.193 368 HA LEU 53 HA LEU 53 -8.924 5.956 1.652 369 HB2 LEU 53 1HB LEU 53 -11.311 4.704 2.870 370 HB3 LEU 53 2HB LEU 53 -11.373 5.001 1.133 371 HG LEU 53 HG LEU 53 -10.582 2.697 1.995 372 HD11 LEU 53 1HD1 LEU 53 -10.221 4.053 -0.328 373 HD12 LEU 53 2HD1 LEU 53 -9.738 2.379 -0.057 374 HD13 LEU 53 3HD1 LEU 53 -8.556 3.676 0.115 375 HD21 LEU 53 3HD2 LEU 53 -8.914 3.910 3.562 376 HD22 LEU 53 1HD2 LEU 53 -7.909 4.037 2.117 377 HD23 LEU 53 2HD2 LEU 53 -8.394 2.451 2.717 378 H GLN 54 H GLN 54 -11.698 7.498 3.203 379 HA GLN 54 HA GLN 54 -12.998 8.683 1.138 380 HB2 GLN 54 1HB GLN 54 -12.370 9.617 3.906 381 HB3 GLN 54 2HB GLN 54 -13.155 10.729 2.793 382 HG2 GLN 54 1HG GLN 54 -14.928 9.020 2.440 383 HG3 GLN 54 2HG GLN 54 -14.174 8.051 3.705 384 HE21 GLN 54 2HE2 GLN 54 -16.925 10.530 4.810 385 HE22 GLN 54 1HE2 GLN 54 -16.774 9.682 3.313 386 H ASP 55 H ASP 55 -10.076 9.962 2.712 387 HA ASP 55 HA ASP 55 -9.830 12.213 1.011 388 HB2 ASP 55 1HB ASP 55 -8.054 10.828 2.974 389 HB3 ASP 55 2HB ASP 55 -7.335 11.993 1.865 390 H LEU 56 H LEU 56 -8.583 8.928 0.870 391 HA LEU 56 HA LEU 56 -6.750 9.319 -1.238 392 HB2 LEU 56 1HB LEU 56 -7.106 7.313 0.388 393 HB3 LEU 56 2HB LEU 56 -8.215 6.743 -0.857 394 HG LEU 56 HG LEU 56 -6.427 6.610 -2.462 395 HD11 LEU 56 1HD1 LEU 56 -4.054 6.980 -1.201 396 HD12 LEU 56 2HD1 LEU 56 -5.029 8.263 -0.484 397 HD13 LEU 56 3HD1 LEU 56 -4.838 8.175 -2.235 398 HD21 LEU 56 3HD2 LEU 56 -6.656 5.021 -0.200 399 HD22 LEU 56 1HD2 LEU 56 -4.927 5.339 -0.338 400 HD23 LEU 56 2HD2 LEU 56 -5.802 4.618 -1.690 401 H LYS 57 H LYS 57 -6.931 8.657 -3.452 402 HA LYS 57 HA LYS 57 -9.523 8.156 -4.594 403 HB2 LYS 57 1HB LYS 57 -9.263 10.215 -6.134 404 HB3 LYS 57 2HB LYS 57 -9.901 10.456 -4.513 405 HG2 LYS 57 1HG LYS 57 -7.796 11.286 -3.737 406 HG3 LYS 57 2HG LYS 57 -7.017 10.870 -5.266 407 HD2 LYS 57 1HD LYS 57 -8.056 12.597 -6.412 408 HD3 LYS 57 2HD LYS 57 -9.361 12.730 -5.231 409 HE2 LYS 57 1HE LYS 57 -7.984 13.836 -3.679 410 HE3 LYS 57 2HE LYS 57 -6.512 13.376 -4.533 411 HZ1 LYS 57 3HZ LYS 57 -7.232 14.809 -6.381 412 HZ2 LYS 57 1HZ LYS 57 -6.995 15.674 -4.946 413 HZ3 LYS 57 2HZ LYS 57 -8.563 15.310 -5.465 414 H VAL 58 H VAL 58 -9.413 7.826 -6.939 415 HA VAL 58 HA VAL 58 -7.041 6.408 -7.661 416 HB VAL 58 HB VAL 58 -9.455 7.121 -9.332 417 HG11 VAL 58 1HG1 VAL 58 -7.807 4.786 -10.032 418 HG12 VAL 58 2HG1 VAL 58 -8.597 5.974 -11.071 419 HG13 VAL 58 3HG1 VAL 58 -7.053 6.355 -10.310 420 HG21 VAL 58 3HG2 VAL 58 -10.496 5.281 -8.548 421 HG22 VAL 58 1HG2 VAL 58 -8.999 4.354 -8.440 422 HG23 VAL 58 2HG2 VAL 58 -9.420 5.501 -7.168 423 H GLY 59 H GLY 59 -5.274 7.179 -8.607 424 HA2 GLY 59 1HA GLY 59 -4.240 8.374 -10.427 425 HA3 GLY 59 2HA GLY 59 -5.514 9.578 -10.300 426 H ASP 60 H ASP 60 -4.132 8.406 -7.373 427 HA ASP 60 HA ASP 60 -2.509 10.856 -7.154 428 HB2 ASP 60 1HB ASP 60 -4.466 9.656 -5.228 429 HB3 ASP 60 2HB ASP 60 -3.096 10.577 -4.614 430 H ASP 61 H ASP 61 -0.536 10.694 -6.142 431 HA ASP 61 HA ASP 61 0.714 8.142 -6.175 432 HB2 ASP 61 1HB ASP 61 1.572 10.904 -5.383 433 HB3 ASP 61 2HB ASP 61 2.597 9.524 -4.996 434 H VAL 62 H VAL 62 1.390 6.833 -4.512 435 HA VAL 62 HA VAL 62 0.925 7.591 -1.757 436 HB VAL 62 HB VAL 62 -0.378 5.359 -1.438 437 HG11 VAL 62 1HG1 VAL 62 -1.123 8.037 -1.702 438 HG12 VAL 62 2HG1 VAL 62 -2.313 7.126 -2.634 439 HG13 VAL 62 3HG1 VAL 62 -2.042 6.743 -0.933 440 HG21 VAL 62 3HG2 VAL 62 -1.962 5.093 -3.463 441 HG22 VAL 62 1HG2 VAL 62 -0.678 5.892 -4.370 442 HG23 VAL 62 2HG2 VAL 62 -0.356 4.369 -3.542 443 H GLU 63 H GLU 63 2.143 6.423 -0.317 444 HA GLU 63 HA GLU 63 4.078 4.580 -1.516 445 HB2 GLU 63 1HB GLU 63 4.743 6.641 -0.124 446 HB3 GLU 63 2HB GLU 63 4.219 5.708 1.270 447 HG2 GLU 63 1HG GLU 63 5.823 3.895 0.254 448 HG3 GLU 63 2HG GLU 63 6.558 5.300 -0.516 449 H PHE 64 H PHE 64 4.131 2.471 -1.045 450 HA PHE 64 HA PHE 64 2.750 1.480 1.332 451 HB2 PHE 64 1HB PHE 64 1.680 -0.328 -0.062 452 HB3 PHE 64 2HB PHE 64 1.024 1.287 -0.311 453 HD1 PHE 64 2HD PHE 64 2.986 -1.424 -1.780 454 HD2 PHE 64 1HD PHE 64 1.356 2.460 -2.391 455 HE1 PHE 64 2HE PHE 64 3.403 -1.633 -4.196 456 HE2 PHE 64 1HE PHE 64 1.769 2.257 -4.808 457 HZ PHE 64 HZ PHE 64 2.795 0.209 -5.714 458 H GLU 65 H GLU 65 3.062 -1.053 1.367 459 HA GLU 65 HA GLU 65 5.858 -1.603 0.613 460 HB2 GLU 65 1HB GLU 65 5.998 -1.450 2.923 461 HB3 GLU 65 2HB GLU 65 4.384 -2.103 3.168 462 HG2 GLU 65 1HG GLU 65 5.955 -3.718 3.923 463 HG3 GLU 65 2HG GLU 65 5.235 -4.318 2.430 464 H VAL 66 H VAL 66 6.136 -3.291 -0.681 465 HA VAL 66 HA VAL 66 3.907 -4.975 -1.379 466 HB VAL 66 HB VAL 66 6.781 -5.007 -2.307 467 HG11 VAL 66 1HG1 VAL 66 5.560 -7.221 -2.420 468 HG12 VAL 66 2HG1 VAL 66 4.472 -6.456 -3.579 469 HG13 VAL 66 3HG1 VAL 66 6.191 -6.602 -3.945 470 HG21 VAL 66 3HG2 VAL 66 5.500 -4.247 -4.460 471 HG22 VAL 66 1HG2 VAL 66 4.272 -3.735 -3.302 472 HG23 VAL 66 2HG2 VAL 66 5.905 -3.076 -3.205 473 H SER 67 H SER 67 3.351 -6.684 -0.212 474 HA SER 67 HA SER 67 5.488 -8.309 1.005 475 HB2 SER 67 1HB SER 67 3.952 -6.917 2.578 476 HB3 SER 67 2HB SER 67 2.734 -8.135 2.199 477 HG SER 67 HG SER 67 3.691 -9.397 3.562 478 H SER 68 H SER 68 4.594 -10.565 1.596 479 HA SER 68 HA SER 68 3.212 -11.586 -0.785 480 HB2 SER 68 1HB SER 68 4.157 -13.814 0.001 481 HB3 SER 68 2HB SER 68 5.343 -12.620 -0.529 482 HG SER 68 HG SER 68 5.912 -13.636 1.460 483 H ASP 69 H ASP 69 1.190 -12.271 -0.620 484 HA ASP 69 HA ASP 69 -0.310 -12.168 1.731 485 HB2 ASP 69 1HB ASP 69 -1.078 -12.216 -0.748 486 HB3 ASP 69 2HB ASP 69 -1.063 -13.967 -0.556 487 H ARG 70 H ARG 70 -1.618 -14.133 2.534 488 HA ARG 70 HA ARG 70 0.287 -16.313 3.070 489 HB2 ARG 70 1HB ARG 70 -2.093 -15.600 4.776 490 HB3 ARG 70 2HB ARG 70 -0.714 -16.605 5.203 491 HG2 ARG 70 1HG ARG 70 -0.493 -13.666 4.609 492 HG3 ARG 70 2HG ARG 70 -0.749 -14.320 6.229 493 HD2 ARG 70 1HD ARG 70 1.547 -14.098 6.166 494 HD3 ARG 70 2HD ARG 70 1.333 -15.778 5.675 495 HE ARG 70 HE ARG 70 1.458 -13.869 3.507 496 HH11 ARG 70 2HH1 ARG 70 3.217 -16.056 5.567 497 HH12 ARG 70 1HH1 ARG 70 4.546 -16.228 4.470 498 HH21 ARG 70 1HH2 ARG 70 4.538 -15.107 2.472 499 HH22 ARG 70 2HH2 ARG 70 3.203 -14.087 2.054 500 H ARG 71 H ARG 71 -2.300 -15.650 1.210 501 HA ARG 71 HA ARG 71 -3.374 -18.386 1.429 502 HB2 ARG 71 1HB ARG 71 -4.797 -15.963 0.316 503 HB3 ARG 71 2HB ARG 71 -5.481 -17.564 0.570 504 HG2 ARG 71 1HG ARG 71 -4.898 -17.193 3.045 505 HG3 ARG 71 2HG ARG 71 -4.739 -15.493 2.598 506 HD2 ARG 71 1HD ARG 71 -6.985 -15.292 2.063 507 HD3 ARG 71 2HD ARG 71 -7.184 -17.027 1.819 508 HE ARG 71 HE ARG 71 -7.566 -15.607 4.239 509 HH11 ARG 71 2HH1 ARG 71 -6.348 -18.617 2.983 510 HH12 ARG 71 1HH1 ARG 71 -6.678 -19.505 4.433 511 HH21 ARG 71 1HH2 ARG 71 -7.621 -18.452 6.235 512 HH22 ARG 71 2HH2 ARG 71 -8.005 -16.766 6.153 513 H THR 72 H THR 72 -2.250 -15.853 -0.722 514 HA THR 72 HA THR 72 -2.135 -17.838 -2.899 515 HB THR 72 HB THR 72 -2.600 -16.176 -4.530 516 HG1 THR 72 1HG THR 72 -3.029 -13.938 -3.667 517 HG21 THR 72 3HG2 THR 72 -4.669 -16.856 -3.745 518 HG22 THR 72 1HG2 THR 72 -4.769 -15.107 -3.543 519 HG23 THR 72 2HG2 THR 72 -4.418 -16.136 -2.154 520 H GLY 73 H GLY 73 -0.386 -15.899 -0.825 521 HA2 GLY 73 1HA GLY 73 1.827 -15.304 -0.714 522 HA3 GLY 73 2HA GLY 73 2.106 -16.573 -1.897 523 H LYS 74 H LYS 74 -0.083 -14.200 -2.943 524 HA LYS 74 HA LYS 74 1.769 -13.286 -4.948 525 HB2 LYS 74 1HB LYS 74 -1.027 -12.278 -4.407 526 HB3 LYS 74 2HB LYS 74 -0.105 -12.107 -5.895 527 HG2 LYS 74 1HG LYS 74 -0.684 -14.842 -4.877 528 HG3 LYS 74 2HG LYS 74 -1.974 -13.927 -5.659 529 HD2 LYS 74 1HD LYS 74 -0.147 -13.512 -7.493 530 HD3 LYS 74 2HD LYS 74 0.587 -14.958 -6.795 531 HE2 LYS 74 1HE LYS 74 -0.743 -15.892 -8.415 532 HE3 LYS 74 2HE LYS 74 -1.839 -15.924 -7.035 533 HZ1 LYS 74 3HZ LYS 74 -2.828 -15.072 -9.139 534 HZ2 LYS 74 1HZ LYS 74 -1.796 -13.734 -9.034 535 HZ3 LYS 74 2HZ LYS 74 -2.954 -14.006 -7.832 536 HA PRO 75 HA PRO 75 3.203 -9.604 -3.031 537 HB2 PRO 75 2HB PRO 75 4.606 -9.362 -4.835 538 HB3 PRO 75 1HB PRO 75 3.537 -8.001 -5.197 539 HG2 PRO 75 1HG PRO 75 2.318 -9.211 -6.760 540 HG3 PRO 75 2HG PRO 75 3.917 -9.947 -6.977 541 HD2 PRO 75 1HD PRO 75 1.709 -11.403 -6.397 542 HD3 PRO 75 2HD PRO 75 3.329 -11.861 -5.835 543 H ILE 76 H ILE 76 1.577 -8.747 -1.793 544 HA ILE 76 HA ILE 76 -0.362 -6.997 -3.157 545 HB ILE 76 HB ILE 76 -1.771 -7.221 -1.139 546 HG12 ILE 76 1HG1 ILE 76 -0.089 -9.534 -0.253 547 HG13 ILE 76 2HG1 ILE 76 0.363 -7.906 0.241 548 HG21 ILE 76 1HG2 ILE 76 -2.437 -9.588 -1.532 549 HG22 ILE 76 2HG2 ILE 76 -2.253 -8.640 -3.007 550 HG23 ILE 76 3HG2 ILE 76 -0.994 -9.779 -2.528 551 HD11 ILE 76 3HD1 ILE 76 -2.459 -8.530 0.653 552 HD12 ILE 76 1HD1 ILE 76 -1.348 -9.539 1.579 553 HD13 ILE 76 2HD1 ILE 76 -1.286 -7.783 1.738 554 H ALA 77 H ALA 77 -0.976 -5.026 -2.029 555 HA ALA 77 HA ALA 77 1.350 -3.745 -0.844 556 HB1 ALA 77 3HB ALA 77 -0.307 -2.813 -2.675 557 HB2 ALA 77 1HB ALA 77 -1.206 -2.283 -1.253 558 HB3 ALA 77 2HB ALA 77 0.457 -1.747 -1.497 559 H VAL 78 H VAL 78 1.434 -2.842 1.188 560 HA VAL 78 HA VAL 78 -0.883 -3.113 2.947 561 HB VAL 78 HB VAL 78 0.480 -4.151 4.729 562 HG11 VAL 78 1HG1 VAL 78 0.585 -5.916 2.305 563 HG12 VAL 78 2HG1 VAL 78 0.224 -6.351 3.976 564 HG13 VAL 78 3HG1 VAL 78 -0.947 -5.432 3.030 565 HG21 VAL 78 3HG2 VAL 78 2.635 -5.084 4.292 566 HG22 VAL 78 1HG2 VAL 78 2.532 -4.661 2.582 567 HG23 VAL 78 2HG2 VAL 78 2.676 -3.391 3.798 568 H LYS 79 H LYS 79 -0.567 -1.993 5.030 569 HA LYS 79 HA LYS 79 -0.210 0.006 6.081 570 HB2 LYS 79 1HB LYS 79 2.672 -0.431 5.305 571 HB3 LYS 79 2HB LYS 79 2.052 0.389 6.732 572 HG2 LYS 79 1HG LYS 79 1.624 -1.553 7.837 573 HG3 LYS 79 2HG LYS 79 1.327 -2.463 6.354 574 HD2 LYS 79 1HD LYS 79 3.907 -1.958 5.981 575 HD3 LYS 79 2HD LYS 79 3.885 -1.864 7.744 576 HE2 LYS 79 1HE LYS 79 3.073 -4.087 7.935 577 HE3 LYS 79 2HE LYS 79 2.727 -4.180 6.209 578 HZ1 LYS 79 3HZ LYS 79 5.485 -3.704 7.113 579 HZ2 LYS 79 1HZ LYS 79 4.935 -4.432 5.688 580 HZ3 LYS 79 2HZ LYS 79 4.856 -5.274 7.152 581 H LEU 80 H LEU 80 -1.167 0.547 3.637 582 HA LEU 80 HA LEU 80 0.442 2.138 1.967 583 HB2 LEU 80 1HB LEU 80 -2.115 1.167 1.885 584 HB3 LEU 80 2HB LEU 80 -2.382 2.896 2.094 585 HG LEU 80 HG LEU 80 -0.584 2.922 0.077 586 HD11 LEU 80 1HD1 LEU 80 -0.689 1.135 -1.320 587 HD12 LEU 80 2HD1 LEU 80 -2.315 0.686 -0.810 588 HD13 LEU 80 3HD1 LEU 80 -0.932 0.293 0.211 589 HD21 LEU 80 3HD2 LEU 80 -3.421 2.471 -0.678 590 HD22 LEU 80 1HD2 LEU 80 -2.301 3.738 -1.179 591 HD23 LEU 80 2HD2 LEU 80 -3.055 3.807 0.414 592 H VAL 81 H VAL 81 0.308 4.459 1.632 593 HA VAL 81 HA VAL 81 -0.760 6.168 3.657 594 HB VAL 81 HB VAL 81 1.048 5.643 5.031 595 HG11 VAL 81 1HG1 VAL 81 2.656 5.532 2.502 596 HG12 VAL 81 2HG1 VAL 81 3.433 5.669 4.081 597 HG13 VAL 81 3HG1 VAL 81 2.412 4.278 3.717 598 HG21 VAL 81 3HG2 VAL 81 2.088 7.981 3.439 599 HG22 VAL 81 1HG2 VAL 81 0.771 8.085 4.606 600 HG23 VAL 81 2HG2 VAL 81 2.388 7.627 5.140 601 H LYS 82 H LYS 82 -1.134 8.122 2.809 602 HA LYS 82 HA LYS 82 -0.512 8.660 0.097 603 HB2 LYS 82 1HB LYS 82 -2.448 9.532 1.684 604 HB3 LYS 82 2HB LYS 82 -1.323 10.858 1.946 605 HG2 LYS 82 1HG LYS 82 -1.518 11.633 -0.192 606 HG3 LYS 82 2HG LYS 82 -1.911 10.044 -0.850 607 HD2 LYS 82 1HD LYS 82 -4.138 10.162 -0.028 608 HD3 LYS 82 2HD LYS 82 -3.771 11.585 0.950 609 HE2 LYS 82 1HE LYS 82 -3.620 12.974 -0.938 610 HE3 LYS 82 2HE LYS 82 -3.498 11.604 -2.041 611 HZ1 LYS 82 3HZ LYS 82 -5.786 12.977 -1.326 612 HZ2 LYS 82 1HZ LYS 82 -5.911 11.468 -0.571 613 HZ3 LYS 82 2HZ LYS 82 -5.689 11.561 -2.245 614 H ILE 83 H ILE 83 1.218 9.585 -0.784 615 HA ILE 83 HA ILE 83 3.482 10.291 0.753 616 HB ILE 83 HB ILE 83 3.018 11.129 -2.102 617 HG12 ILE 83 1HG1 ILE 83 3.585 8.424 -0.947 618 HG13 ILE 83 2HG1 ILE 83 2.515 8.866 -2.272 619 HG21 ILE 83 1HG2 ILE 83 5.609 10.186 -0.970 620 HG22 ILE 83 2HG2 ILE 83 5.300 11.326 -2.279 621 HG23 ILE 83 3HG2 ILE 83 5.052 11.818 -0.604 622 HD11 ILE 83 3HD1 ILE 83 5.463 8.445 -2.277 623 HD12 ILE 83 1HD1 ILE 83 4.231 7.812 -3.370 624 HD13 ILE 83 2HD1 ILE 83 4.725 9.502 -3.481 625 H SER 84 H SER 84 1.397 12.337 -1.300 626 HA SER 84 HA SER 84 2.474 14.738 -0.109 627 HB2 SER 84 1HB SER 84 0.975 15.920 -1.656 628 HB3 SER 84 2HB SER 84 1.907 14.686 -2.504 629 HG SER 84 HG SER 84 -0.603 13.996 -1.480 630 H GLY 85 H GLY 85 1.635 15.863 1.534 631 HA2 GLY 85 1HA GLY 85 -1.185 15.533 2.230 632 HA3 GLY 85 2HA GLY 85 -0.003 15.073 3.446 633 HA PRO 86 HA PRO 86 0.240 19.883 2.735 634 HB2 PRO 86 2HB PRO 86 -0.688 20.447 0.710 635 HB3 PRO 86 1HB PRO 86 -2.034 20.973 1.729 636 HG2 PRO 86 1HG PRO 86 -3.250 19.034 1.343 637 HG3 PRO 86 2HG PRO 86 -2.412 19.187 -0.211 638 HD2 PRO 86 1HD PRO 86 -2.253 16.957 1.316 639 HD3 PRO 86 2HD PRO 86 -0.915 17.507 0.287 640 H SER 87 H SER 87 0.141 19.987 4.951 641 HA SER 87 HA SER 87 -2.263 19.618 6.435 642 HB2 SER 87 1HB SER 87 0.032 19.257 7.360 643 HB3 SER 87 2HB SER 87 0.278 21.003 7.324 644 HG SER 87 HG SER 87 -1.387 19.466 8.970 645 H SER 88 H SER 88 -3.574 21.134 7.442 646 HA SER 88 HA SER 88 -3.307 23.893 6.436 647 HB2 SER 88 1HB SER 88 -5.255 22.477 5.548 648 HB3 SER 88 2HB SER 88 -5.933 22.602 7.171 649 HG SER 88 HG SER 88 -6.462 24.603 6.787 650 H GLY 89 H GLY 89 -4.437 21.867 9.116 651 HA2 GLY 89 1HA GLY 89 -3.587 22.648 11.339 652 HA3 GLY 89 2HA GLY 89 -4.196 24.230 10.876 Start of MODEL 8 1 H1 GLY 1 H GLY 1 17.853 -13.040 21.026 2 HA2 GLY 1 1HA GLY 1 17.387 -13.137 23.367 3 HA3 GLY 1 2HA GLY 1 19.125 -13.366 23.235 4 H SER 2 H SER 2 20.347 -12.091 24.449 5 HA SER 2 HA SER 2 19.206 -10.033 26.043 6 HB2 SER 2 1HB SER 2 22.093 -10.807 25.565 7 HB3 SER 2 2HB SER 2 21.564 -9.637 26.774 8 HG SER 2 HG SER 2 20.597 -11.230 27.910 9 H SER 3 H SER 3 18.337 -8.494 24.640 10 HA SER 3 HA SER 3 18.305 -6.583 23.407 11 HB2 SER 3 1HB SER 3 20.986 -6.515 24.708 12 HB3 SER 3 2HB SER 3 20.682 -5.369 23.403 13 HG SER 3 HG SER 3 18.730 -5.635 25.378 14 H GLY 4 H GLY 4 18.743 -9.012 22.033 15 HA2 GLY 4 1HA GLY 4 20.269 -7.998 19.722 16 HA3 GLY 4 2HA GLY 4 20.485 -9.651 20.279 17 H SER 5 H SER 5 19.014 -7.840 17.999 18 HA SER 5 HA SER 5 16.681 -9.621 17.792 19 HB2 SER 5 1HB SER 5 15.841 -7.442 17.761 20 HB3 SER 5 2HB SER 5 17.205 -6.824 16.831 21 HG SER 5 HG SER 5 16.395 -7.937 15.023 22 H SER 6 H SER 6 17.638 -11.377 16.799 23 HA SER 6 HA SER 6 18.936 -10.906 14.206 24 HB2 SER 6 1HB SER 6 18.928 -13.376 15.958 25 HB3 SER 6 2HB SER 6 19.774 -13.223 14.418 26 HG SER 6 HG SER 6 20.872 -11.381 15.441 27 H GLY 7 H GLY 7 18.440 -12.443 12.454 28 HA2 GLY 7 1HA GLY 7 16.710 -14.275 11.934 29 HA3 GLY 7 2HA GLY 7 15.559 -13.051 12.448 30 H GLY 8 H GLY 8 17.476 -14.243 9.879 31 HA2 GLY 8 1HA GLY 8 16.209 -13.266 7.761 32 HA3 GLY 8 2HA GLY 8 17.125 -11.848 8.251 33 H TYR 9 H TYR 9 17.967 -15.305 8.159 34 HA TYR 9 HA TYR 9 20.176 -14.612 6.337 35 HB2 TYR 9 1HB TYR 9 21.475 -16.443 7.455 36 HB3 TYR 9 2HB TYR 9 21.141 -15.059 8.491 37 HD1 TYR 9 1HD TYR 9 19.285 -15.235 10.189 38 HD2 TYR 9 2HD TYR 9 20.744 -18.608 8.044 39 HE1 TYR 9 1HE TYR 9 18.284 -16.728 11.867 40 HE2 TYR 9 2HE TYR 9 19.745 -20.110 9.716 41 HH TYR 9 HH TYR 9 17.502 -19.575 11.564 42 HA PRO 10 HA PRO 10 21.914 -16.021 5.562 43 HB2 PRO 10 2HB PRO 10 22.612 -17.540 3.985 44 HB3 PRO 10 1HB PRO 10 22.415 -16.161 2.897 45 HG2 PRO 10 1HG PRO 10 20.337 -16.883 2.154 46 HG3 PRO 10 2HG PRO 10 21.120 -18.446 2.449 47 HD2 PRO 10 1HD PRO 10 18.765 -17.757 3.594 48 HD3 PRO 10 2HD PRO 10 19.948 -18.807 4.401 49 H ASN 11 H ASN 11 22.421 -13.915 5.464 50 HA ASN 11 HA ASN 11 20.655 -11.906 4.905 51 HB2 ASN 11 1HB ASN 11 22.461 -10.386 5.040 52 HB3 ASN 11 2HB ASN 11 22.942 -11.753 6.040 53 HD21 ASN 11 2HD2 ASN 11 25.142 -10.631 2.885 54 HD22 ASN 11 1HD2 ASN 11 23.736 -9.778 3.416 55 H GLY 12 H GLY 12 19.908 -10.868 3.146 56 HA2 GLY 12 1HA GLY 12 21.328 -10.863 0.645 57 HA3 GLY 12 2HA GLY 12 19.921 -11.916 0.629 58 H THR 13 H THR 13 20.690 -8.645 1.830 59 HA THR 13 HA THR 13 19.409 -6.740 1.848 60 HB THR 13 HB THR 13 18.777 -5.943 -0.375 61 HG1 THR 13 1HG THR 13 19.547 -7.810 -2.005 62 HG21 THR 13 3HG2 THR 13 20.955 -6.082 -1.452 63 HG22 THR 13 1HG2 THR 13 21.384 -7.466 -0.448 64 HG23 THR 13 2HG2 THR 13 21.150 -5.881 0.289 65 H SER 14 H SER 14 17.946 -8.825 2.909 66 HA SER 14 HA SER 14 15.325 -8.811 1.648 67 HB2 SER 14 1HB SER 14 14.710 -10.393 3.455 68 HB3 SER 14 2HB SER 14 16.134 -10.924 2.561 69 HG SER 14 HG SER 14 16.111 -9.612 5.079 70 H ALA 15 H ALA 15 16.122 -6.283 2.477 71 HA ALA 15 HA ALA 15 14.765 -5.755 5.004 72 HB1 ALA 15 3HB ALA 15 15.831 -3.524 3.379 73 HB2 ALA 15 1HB ALA 15 15.926 -3.812 5.117 74 HB3 ALA 15 2HB ALA 15 17.001 -4.678 4.019 75 H ALA 16 H ALA 16 13.187 -3.982 5.128 76 HA ALA 16 HA ALA 16 11.106 -4.338 3.216 77 HB1 ALA 16 3HB ALA 16 10.436 -3.957 5.447 78 HB2 ALA 16 1HB ALA 16 11.422 -2.501 5.575 79 HB3 ALA 16 2HB ALA 16 9.984 -2.505 4.554 80 H LEU 17 H LEU 17 10.740 -3.271 1.387 81 HA LEU 17 HA LEU 17 12.056 -0.664 0.997 82 HB2 LEU 17 1HB LEU 17 13.181 -2.237 -0.382 83 HB3 LEU 17 2HB LEU 17 11.660 -2.930 -0.941 84 HG LEU 17 HG LEU 17 13.049 -1.372 -2.501 85 HD11 LEU 17 1HD1 LEU 17 10.468 -2.218 -2.465 86 HD12 LEU 17 2HD1 LEU 17 11.205 -1.291 -3.771 87 HD13 LEU 17 3HD1 LEU 17 10.262 -0.467 -2.530 88 HD21 LEU 17 3HD2 LEU 17 13.193 0.438 -0.785 89 HD22 LEU 17 1HD2 LEU 17 11.457 0.685 -0.979 90 HD23 LEU 17 2HD2 LEU 17 12.544 0.959 -2.341 91 H ARG 18 H ARG 18 10.388 0.706 1.363 92 HA ARG 18 HA ARG 18 7.707 0.232 0.621 93 HB2 ARG 18 1HB ARG 18 9.071 2.882 1.128 94 HB3 ARG 18 2HB ARG 18 7.337 2.589 1.145 95 HG2 ARG 18 1HG ARG 18 9.285 1.271 3.022 96 HG3 ARG 18 2HG ARG 18 8.381 2.740 3.396 97 HD2 ARG 18 1HD ARG 18 6.882 0.354 2.441 98 HD3 ARG 18 2HD ARG 18 7.495 0.352 4.094 99 HE ARG 18 HE ARG 18 5.356 1.978 3.028 100 HH11 ARG 18 2HH1 ARG 18 7.666 1.529 5.594 101 HH12 ARG 18 1HH1 ARG 18 6.771 2.471 6.740 102 HH21 ARG 18 1HH2 ARG 18 4.782 3.432 6.133 103 HH22 ARG 18 2HH2 ARG 18 4.169 3.220 4.528 104 H GLU 19 H GLU 19 6.844 0.215 -1.339 105 HA GLU 19 HA GLU 19 8.255 1.533 -3.535 106 HB2 GLU 19 1HB GLU 19 5.908 -0.366 -3.657 107 HB3 GLU 19 2HB GLU 19 6.881 0.185 -5.013 108 HG2 GLU 19 1HG GLU 19 8.220 -1.224 -2.761 109 HG3 GLU 19 2HG GLU 19 7.282 -2.159 -3.923 110 H THR 20 H THR 20 7.123 2.844 -5.063 111 HA THR 20 HA THR 20 4.647 4.054 -4.023 112 HB THR 20 HB THR 20 5.378 6.251 -4.663 113 HG1 THR 20 1HG THR 20 7.196 6.610 -5.815 114 HG21 THR 20 3HG2 THR 20 7.059 4.624 -2.864 115 HG22 THR 20 1HG2 THR 20 6.173 6.115 -2.547 116 HG23 THR 20 2HG2 THR 20 7.739 6.175 -3.355 117 H GLY 21 H GLY 21 3.075 4.531 -5.497 118 HA2 GLY 21 1HA GLY 21 3.680 4.398 -8.346 119 HA3 GLY 21 2HA GLY 21 2.598 3.161 -7.724 120 H VAL 22 H VAL 22 0.564 3.617 -8.203 121 HA VAL 22 HA VAL 22 -0.572 6.163 -7.459 122 HB VAL 22 HB VAL 22 0.386 6.406 -9.839 123 HG11 VAL 22 1HG1 VAL 22 -1.158 4.115 -10.241 124 HG12 VAL 22 2HG1 VAL 22 -2.026 5.414 -11.061 125 HG13 VAL 22 3HG1 VAL 22 -0.342 5.082 -11.469 126 HG21 VAL 22 3HG2 VAL 22 -2.465 7.040 -9.112 127 HG22 VAL 22 1HG2 VAL 22 -1.048 8.083 -8.984 128 HG23 VAL 22 2HG2 VAL 22 -1.688 7.656 -10.571 129 H ILE 23 H ILE 23 -2.859 6.147 -7.403 130 HA ILE 23 HA ILE 23 -3.973 3.530 -6.973 131 HB ILE 23 HB ILE 23 -5.241 6.266 -6.819 132 HG12 ILE 23 1HG1 ILE 23 -3.410 5.619 -5.162 133 HG13 ILE 23 2HG1 ILE 23 -4.949 6.125 -4.474 134 HG21 ILE 23 1HG2 ILE 23 -6.379 3.692 -5.758 135 HG22 ILE 23 2HG2 ILE 23 -7.162 5.268 -5.863 136 HG23 ILE 23 3HG2 ILE 23 -6.812 4.357 -7.332 137 HD11 ILE 23 3HD1 ILE 23 -4.391 3.230 -4.933 138 HD12 ILE 23 1HD1 ILE 23 -3.740 4.055 -3.517 139 HD13 ILE 23 2HD1 ILE 23 -5.484 3.993 -3.778 140 H GLU 24 H GLU 24 -4.037 2.525 -8.984 141 HA GLU 24 HA GLU 24 -5.124 3.683 -11.317 142 HB2 GLU 24 1HB GLU 24 -3.649 1.558 -11.017 143 HB3 GLU 24 2HB GLU 24 -5.183 0.728 -10.798 144 HG2 GLU 24 1HG GLU 24 -5.889 1.221 -12.976 145 HG3 GLU 24 2HG GLU 24 -4.645 2.452 -13.190 146 H LYS 25 H LYS 25 -6.524 1.520 -8.875 147 HA LYS 25 HA LYS 25 -9.185 2.464 -9.659 148 HB2 LYS 25 1HB LYS 25 -8.395 0.082 -10.576 149 HB3 LYS 25 2HB LYS 25 -8.928 -0.421 -8.978 150 HG2 LYS 25 1HG LYS 25 -10.767 1.298 -10.533 151 HG3 LYS 25 2HG LYS 25 -10.547 -0.365 -11.084 152 HD2 LYS 25 1HD LYS 25 -11.203 -1.214 -8.923 153 HD3 LYS 25 2HD LYS 25 -11.284 0.422 -8.265 154 HE2 LYS 25 1HE LYS 25 -13.507 -0.058 -8.716 155 HE3 LYS 25 2HE LYS 25 -13.006 0.837 -10.150 156 HZ1 LYS 25 3HZ LYS 25 -14.316 -1.296 -10.494 157 HZ2 LYS 25 1HZ LYS 25 -12.901 -2.115 -10.059 158 HZ3 LYS 25 2HZ LYS 25 -12.909 -1.102 -11.413 159 H LEU 26 H LEU 26 -10.781 2.279 -8.008 160 HA LEU 26 HA LEU 26 -9.886 1.467 -5.357 161 HB2 LEU 26 1HB LEU 26 -9.421 3.971 -5.859 162 HB3 LEU 26 2HB LEU 26 -11.162 4.156 -5.660 163 HG LEU 26 HG LEU 26 -10.635 2.887 -3.378 164 HD11 LEU 26 1HD1 LEU 26 -8.057 4.203 -4.175 165 HD12 LEU 26 2HD1 LEU 26 -8.320 2.562 -3.586 166 HD13 LEU 26 3HD1 LEU 26 -8.495 3.931 -2.489 167 HD21 LEU 26 3HD2 LEU 26 -11.602 5.230 -3.913 168 HD22 LEU 26 1HD2 LEU 26 -9.979 5.802 -3.523 169 HD23 LEU 26 2HD2 LEU 26 -10.918 4.925 -2.315 170 H LEU 27 H LEU 27 -11.512 0.737 -4.063 171 HA LEU 27 HA LEU 27 -14.273 1.082 -5.014 172 HB2 LEU 27 1HB LEU 27 -13.042 -1.493 -4.043 173 HB3 LEU 27 2HB LEU 27 -14.739 -1.258 -4.456 174 HG LEU 27 HG LEU 27 -13.691 -0.565 -6.792 175 HD11 LEU 27 1HD1 LEU 27 -11.521 -1.945 -5.354 176 HD12 LEU 27 2HD1 LEU 27 -11.452 -0.800 -6.693 177 HD13 LEU 27 3HD1 LEU 27 -11.830 -2.495 -7.001 178 HD21 LEU 27 3HD2 LEU 27 -13.872 -3.471 -6.041 179 HD22 LEU 27 1HD2 LEU 27 -14.248 -2.713 -7.588 180 HD23 LEU 27 2HD2 LEU 27 -15.292 -2.435 -6.194 181 H THR 28 H THR 28 -15.710 -0.139 -3.161 182 HA THR 28 HA THR 28 -15.316 1.512 -0.832 183 HB THR 28 HB THR 28 -17.451 -0.509 -1.526 184 HG1 THR 28 1HG THR 28 -17.180 1.785 -2.484 185 HG21 THR 28 3HG2 THR 28 -17.237 -0.476 0.877 186 HG22 THR 28 1HG2 THR 28 -18.680 0.430 0.423 187 HG23 THR 28 2HG2 THR 28 -17.211 1.288 0.889 188 H SER 29 H SER 29 -14.526 -1.685 -1.761 189 HA SER 29 HA SER 29 -14.162 -2.524 1.027 190 HB2 SER 29 1HB SER 29 -14.355 -4.024 -1.571 191 HB3 SER 29 2HB SER 29 -13.633 -4.779 -0.151 192 HG SER 29 HG SER 29 -16.267 -4.182 -0.690 193 H TYR 30 H TYR 30 -12.433 -2.063 -2.009 194 HA TYR 30 HA TYR 30 -9.980 -1.543 -0.646 195 HB2 TYR 30 1HB TYR 30 -8.775 -3.437 -1.954 196 HB3 TYR 30 2HB TYR 30 -9.608 -3.836 -0.455 197 HD1 TYR 30 1HD TYR 30 -11.102 -3.248 -3.808 198 HD2 TYR 30 2HD TYR 30 -10.190 -6.083 -0.770 199 HE1 TYR 30 1HE TYR 30 -12.426 -4.943 -5.001 200 HE2 TYR 30 2HE TYR 30 -11.510 -7.787 -1.955 201 HH TYR 30 HH TYR 30 -13.490 -6.989 -4.709 202 H GLY 31 H GLY 31 -8.119 -1.675 -2.508 203 HA2 GLY 31 1HA GLY 31 -9.175 -0.741 -5.060 204 HA3 GLY 31 2HA GLY 31 -8.265 0.431 -4.118 205 H PHE 32 H PHE 32 -7.403 -0.218 -6.616 206 HA PHE 32 HA PHE 32 -5.100 -1.988 -6.126 207 HB2 PHE 32 1HB PHE 32 -6.420 -1.268 -8.752 208 HB3 PHE 32 2HB PHE 32 -5.003 -2.298 -8.576 209 HD1 PHE 32 2HD PHE 32 -8.602 -2.018 -7.783 210 HD2 PHE 32 1HD PHE 32 -5.216 -4.581 -8.065 211 HE1 PHE 32 2HE PHE 32 -10.067 -3.977 -7.515 212 HE2 PHE 32 1HE PHE 32 -6.675 -6.544 -7.799 213 HZ PHE 32 HZ PHE 32 -9.104 -6.244 -7.522 214 H ILE 33 H ILE 33 -3.052 -1.284 -6.603 215 HA ILE 33 HA ILE 33 -2.804 1.551 -7.374 216 HB ILE 33 HB ILE 33 -1.142 -0.030 -5.416 217 HG12 ILE 33 1HG1 ILE 33 -2.382 2.627 -4.853 218 HG13 ILE 33 2HG1 ILE 33 -3.424 1.209 -4.880 219 HG21 ILE 33 1HG2 ILE 33 -0.425 2.243 -7.068 220 HG22 ILE 33 2HG2 ILE 33 -0.254 2.585 -5.348 221 HG23 ILE 33 3HG2 ILE 33 0.591 1.212 -6.061 222 HD11 ILE 33 3HD1 ILE 33 -1.585 0.236 -3.280 223 HD12 ILE 33 1HD1 ILE 33 -1.265 1.945 -2.981 224 HD13 ILE 33 2HD1 ILE 33 -2.870 1.280 -2.673 225 H GLN 34 H GLN 34 -1.856 1.825 -9.273 226 HA GLN 34 HA GLN 34 -0.431 -0.313 -10.560 227 HB2 GLN 34 1HB GLN 34 -1.882 1.167 -11.855 228 HB3 GLN 34 2HB GLN 34 -0.891 2.551 -11.413 229 HG2 GLN 34 1HG GLN 34 0.037 2.165 -13.420 230 HG3 GLN 34 2HG GLN 34 0.990 0.994 -12.509 231 HE21 GLN 34 2HE2 GLN 34 -0.752 -1.833 -13.801 232 HE22 GLN 34 1HE2 GLN 34 -0.018 -1.215 -12.364 233 H CYS 35 H CYS 35 1.568 -0.771 -9.892 234 HA CYS 35 HA CYS 35 3.320 1.074 -8.669 235 HB2 CYS 35 1HB CYS 35 3.971 -1.572 -9.984 236 HB3 CYS 35 2HB CYS 35 5.011 -0.695 -8.869 237 HG CYS 35 HG CYS 35 4.045 -1.688 -6.708 238 H SER 36 H SER 36 4.159 2.774 -9.679 239 HA SER 36 HA SER 36 4.627 2.772 -12.523 240 HB2 SER 36 1HB SER 36 4.970 4.813 -10.336 241 HB3 SER 36 2HB SER 36 5.598 5.104 -11.958 242 HG SER 36 HG SER 36 3.366 4.562 -12.653 243 H GLU 37 H GLU 37 6.256 1.261 -10.263 244 HA GLU 37 HA GLU 37 8.918 2.046 -11.245 245 HB2 GLU 37 1HB GLU 37 8.271 0.449 -8.764 246 HB3 GLU 37 2HB GLU 37 9.842 1.085 -9.232 247 HG2 GLU 37 1HG GLU 37 8.518 3.376 -9.172 248 HG3 GLU 37 2HG GLU 37 7.508 2.470 -8.047 249 H ARG 38 H ARG 38 6.811 -0.711 -10.584 250 HA ARG 38 HA ARG 38 8.655 -2.446 -12.076 251 HB2 ARG 38 1HB ARG 38 7.622 -4.315 -11.013 252 HB3 ARG 38 2HB ARG 38 7.939 -3.121 -9.761 253 HG2 ARG 38 1HG ARG 38 5.676 -2.545 -9.580 254 HG3 ARG 38 2HG ARG 38 5.269 -3.322 -11.111 255 HD2 ARG 38 1HD ARG 38 6.158 -4.718 -8.589 256 HD3 ARG 38 2HD ARG 38 4.509 -4.653 -9.210 257 HE ARG 38 HE ARG 38 5.957 -5.724 -11.256 258 HH11 ARG 38 2HH1 ARG 38 5.495 -6.522 -7.899 259 HH12 ARG 38 1HH1 ARG 38 5.717 -8.224 -8.138 260 HH21 ARG 38 1HH2 ARG 38 6.148 -9.041 -10.234 261 HH22 ARG 38 2HH2 ARG 38 6.252 -7.962 -11.584 262 H GLN 39 H GLN 39 5.905 -0.639 -12.508 263 HA GLN 39 HA GLN 39 4.347 -0.505 -14.160 264 HB2 GLN 39 1HB GLN 39 6.140 -2.532 -15.508 265 HB3 GLN 39 2HB GLN 39 4.826 -1.670 -16.296 266 HG2 GLN 39 1HG GLN 39 6.926 -0.074 -14.936 267 HG3 GLN 39 2HG GLN 39 7.328 -0.859 -16.462 268 HE21 GLN 39 2HE2 GLN 39 6.217 2.328 -17.608 269 HE22 GLN 39 1HE2 GLN 39 7.598 1.507 -16.972 270 H ALA 40 H ALA 40 3.812 -2.214 -12.001 271 HA ALA 40 HA ALA 40 2.048 -4.167 -13.312 272 HB1 ALA 40 3HB ALA 40 4.251 -4.968 -11.969 273 HB2 ALA 40 1HB ALA 40 3.063 -4.954 -10.666 274 HB3 ALA 40 2HB ALA 40 2.777 -5.925 -12.111 275 H ARG 41 H ARG 41 0.013 -4.326 -12.486 276 HA ARG 41 HA ARG 41 -0.813 -2.240 -10.665 277 HB2 ARG 41 1HB ARG 41 -3.007 -2.709 -11.325 278 HB3 ARG 41 2HB ARG 41 -2.062 -3.036 -12.771 279 HG2 ARG 41 1HG ARG 41 -2.041 -5.482 -11.821 280 HG3 ARG 41 2HG ARG 41 -3.478 -4.923 -10.962 281 HD2 ARG 41 1HD ARG 41 -4.660 -4.551 -12.925 282 HD3 ARG 41 2HD ARG 41 -3.196 -4.454 -13.903 283 HE ARG 41 HE ARG 41 -3.223 -6.740 -14.123 284 HH11 ARG 41 2HH1 ARG 41 -5.456 -5.783 -11.629 285 HH12 ARG 41 1HH1 ARG 41 -6.160 -7.358 -11.473 286 HH21 ARG 41 1HH2 ARG 41 -5.412 -9.084 -12.781 287 HH22 ARG 41 2HH2 ARG 41 -4.142 -8.818 -13.928 288 H LEU 42 H LEU 42 -0.648 -2.524 -8.545 289 HA LEU 42 HA LEU 42 -0.740 -5.203 -7.408 290 HB2 LEU 42 1HB LEU 42 0.158 -2.528 -6.493 291 HB3 LEU 42 2HB LEU 42 -0.383 -3.668 -5.263 292 HG LEU 42 HG LEU 42 1.939 -3.955 -7.158 293 HD11 LEU 42 1HD1 LEU 42 1.695 -2.922 -4.569 294 HD12 LEU 42 2HD1 LEU 42 3.179 -3.309 -5.438 295 HD13 LEU 42 3HD1 LEU 42 2.434 -4.513 -4.387 296 HD21 LEU 42 3HD2 LEU 42 1.388 -6.139 -7.190 297 HD22 LEU 42 1HD2 LEU 42 0.344 -6.005 -5.774 298 HD23 LEU 42 2HD2 LEU 42 2.091 -6.135 -5.571 299 H PHE 43 H PHE 43 -1.936 -5.393 -5.252 300 HA PHE 43 HA PHE 43 -4.553 -4.054 -5.449 301 HB2 PHE 43 1HB PHE 43 -5.234 -6.155 -6.031 302 HB3 PHE 43 2HB PHE 43 -3.875 -6.934 -5.225 303 HD1 PHE 43 2HD PHE 43 -6.321 -4.569 -3.756 304 HD2 PHE 43 1HD PHE 43 -4.931 -8.587 -3.962 305 HE1 PHE 43 2HE PHE 43 -7.787 -5.169 -1.873 306 HE2 PHE 43 1HE PHE 43 -6.396 -9.194 -2.080 307 HZ PHE 43 HZ PHE 43 -7.825 -7.484 -1.032 308 H PHE 44 H PHE 44 -4.536 -2.630 -3.819 309 HA PHE 44 HA PHE 44 -3.471 -3.458 -1.215 310 HB2 PHE 44 1HB PHE 44 -3.022 -1.252 -0.759 311 HB3 PHE 44 2HB PHE 44 -2.906 -1.215 -2.515 312 HD1 PHE 44 2HD PHE 44 -4.919 -0.266 0.388 313 HD2 PHE 44 1HD PHE 44 -4.574 -0.109 -3.851 314 HE1 PHE 44 2HE PHE 44 -6.652 1.478 0.316 315 HE2 PHE 44 1HE PHE 44 -6.306 1.636 -3.931 316 HZ PHE 44 HZ PHE 44 -7.349 2.431 -1.846 317 H HIS 45 H HIS 45 -4.707 -3.527 0.608 318 HA HIS 45 HA HIS 45 -7.594 -3.500 0.199 319 HB2 HIS 45 1HB HIS 45 -6.058 -5.286 1.488 320 HB3 HIS 45 2HB HIS 45 -6.442 -4.224 2.839 321 HD1 HIS 45 1HD HIS 45 -9.343 -3.582 2.377 322 HD2 HIS 45 2HD HIS 45 -7.754 -7.372 1.764 323 HE1 HIS 45 1HE HIS 45 -11.290 -5.164 2.551 324 HE2 HIS 45 2HE HIS 45 -10.291 -7.457 2.262 325 H CYS 46 H CYS 46 -9.006 -2.175 1.266 326 HA CYS 46 HA CYS 46 -8.222 0.390 1.959 327 HB2 CYS 46 1HB CYS 46 -10.696 -1.210 2.549 328 HB3 CYS 46 2HB CYS 46 -10.512 0.420 3.184 329 HG CYS 46 HG CYS 46 -11.847 -0.319 0.438 330 H SER 47 H SER 47 -7.896 -2.466 3.748 331 HA SER 47 HA SER 47 -7.987 -1.247 6.360 332 HB2 SER 47 1HB SER 47 -7.667 -3.386 7.223 333 HB3 SER 47 2HB SER 47 -8.479 -3.731 5.696 334 HG SER 47 HG SER 47 -6.218 -3.889 4.852 335 H GLN 48 H GLN 48 -5.568 -2.045 3.972 336 HA GLN 48 HA GLN 48 -3.281 -1.861 5.599 337 HB2 GLN 48 1HB GLN 48 -3.520 -1.192 2.661 338 HB3 GLN 48 2HB GLN 48 -2.037 -1.575 3.525 339 HG2 GLN 48 1HG GLN 48 -4.350 -3.432 3.021 340 HG3 GLN 48 2HG GLN 48 -2.769 -3.477 2.241 341 HE21 GLN 48 2HE2 GLN 48 -2.855 -6.024 4.913 342 HE22 GLN 48 1HE2 GLN 48 -3.768 -5.692 3.485 343 H TYR 49 H TYR 49 -4.815 0.573 3.499 344 HA TYR 49 HA TYR 49 -3.120 2.697 3.970 345 HB2 TYR 49 1HB TYR 49 -4.979 2.701 2.328 346 HB3 TYR 49 2HB TYR 49 -6.126 2.852 3.654 347 HD1 TYR 49 2HD TYR 49 -2.858 4.577 3.245 348 HD2 TYR 49 1HD TYR 49 -7.096 4.949 3.275 349 HE1 TYR 49 2HE TYR 49 -2.638 7.025 3.151 350 HE2 TYR 49 1HE TYR 49 -6.888 7.398 3.181 351 HH TYR 49 HH TYR 49 -4.359 8.992 2.224 352 H ASN 50 H ASN 50 -2.622 3.887 5.686 353 HA ASN 50 HA ASN 50 -3.918 3.401 8.207 354 HB2 ASN 50 1HB ASN 50 -2.200 4.781 9.167 355 HB3 ASN 50 2HB ASN 50 -1.447 3.754 7.950 356 HD21 ASN 50 2HD2 ASN 50 -0.592 7.495 7.770 357 HD22 ASN 50 1HD2 ASN 50 -0.898 6.504 9.151 358 H GLY 51 H GLY 51 -3.688 6.092 5.921 359 HA2 GLY 51 1HA GLY 51 -5.025 8.018 7.477 360 HA3 GLY 51 2HA GLY 51 -4.902 8.029 5.724 361 H ASN 52 H ASN 52 -6.972 8.663 5.274 362 HA ASN 52 HA ASN 52 -9.086 6.757 6.038 363 HB2 ASN 52 1HB ASN 52 -9.371 8.900 7.215 364 HB3 ASN 52 2HB ASN 52 -9.369 9.748 5.672 365 HD21 ASN 52 2HD2 ASN 52 -12.864 9.507 6.410 366 HD22 ASN 52 1HD2 ASN 52 -11.457 10.418 6.827 367 H LEU 53 H LEU 53 -9.650 5.627 4.304 368 HA LEU 53 HA LEU 53 -9.050 5.876 1.721 369 HB2 LEU 53 1HB LEU 53 -11.462 4.861 3.100 370 HB3 LEU 53 2HB LEU 53 -11.585 5.088 1.356 371 HG LEU 53 HG LEU 53 -11.019 2.790 1.883 372 HD11 LEU 53 1HD1 LEU 53 -9.700 4.424 0.083 373 HD12 LEU 53 2HD1 LEU 53 -9.728 2.661 0.078 374 HD13 LEU 53 3HD1 LEU 53 -8.406 3.520 0.869 375 HD21 LEU 53 3HD2 LEU 53 -9.642 3.759 3.994 376 HD22 LEU 53 1HD2 LEU 53 -8.322 3.424 2.874 377 HD23 LEU 53 2HD2 LEU 53 -9.431 2.135 3.339 378 H GLN 54 H GLN 54 -11.716 7.616 3.280 379 HA GLN 54 HA GLN 54 -12.946 8.833 1.187 380 HB2 GLN 54 1HB GLN 54 -12.175 10.102 3.820 381 HB3 GLN 54 2HB GLN 54 -13.350 10.773 2.696 382 HG2 GLN 54 1HG GLN 54 -14.578 8.545 2.936 383 HG3 GLN 54 2HG GLN 54 -13.545 8.277 4.339 384 HE21 GLN 54 2HE2 GLN 54 -16.608 9.741 5.641 385 HE22 GLN 54 1HE2 GLN 54 -16.086 8.270 4.900 386 H ASP 55 H ASP 55 -9.974 9.982 2.766 387 HA ASP 55 HA ASP 55 -9.604 12.211 1.066 388 HB2 ASP 55 1HB ASP 55 -7.804 10.684 2.927 389 HB3 ASP 55 2HB ASP 55 -7.160 11.967 1.906 390 H LEU 56 H LEU 56 -8.543 8.861 0.905 391 HA LEU 56 HA LEU 56 -6.741 9.199 -1.261 392 HB2 LEU 56 1HB LEU 56 -7.103 7.226 0.446 393 HB3 LEU 56 2HB LEU 56 -8.177 6.627 -0.817 394 HG LEU 56 HG LEU 56 -6.329 6.553 -2.390 395 HD11 LEU 56 1HD1 LEU 56 -4.555 7.849 -2.117 396 HD12 LEU 56 2HD1 LEU 56 -4.083 6.885 -0.718 397 HD13 LEU 56 3HD1 LEU 56 -5.104 8.308 -0.505 398 HD21 LEU 56 3HD2 LEU 56 -6.764 4.817 -0.369 399 HD22 LEU 56 1HD2 LEU 56 -5.071 5.224 -0.084 400 HD23 LEU 56 2HD2 LEU 56 -5.569 4.568 -1.643 401 H LYS 57 H LYS 57 -7.003 8.688 -3.453 402 HA LYS 57 HA LYS 57 -9.629 8.074 -4.493 403 HB2 LYS 57 1HB LYS 57 -9.775 10.075 -5.908 404 HB3 LYS 57 2HB LYS 57 -9.804 10.491 -4.200 405 HG2 LYS 57 1HG LYS 57 -7.674 11.404 -4.253 406 HG3 LYS 57 2HG LYS 57 -7.235 10.544 -5.730 407 HD2 LYS 57 1HD LYS 57 -9.231 11.976 -6.721 408 HD3 LYS 57 2HD LYS 57 -8.817 13.039 -5.374 409 HE2 LYS 57 1HE LYS 57 -7.585 13.761 -7.290 410 HE3 LYS 57 2HE LYS 57 -6.453 13.005 -6.170 411 HZ1 LYS 57 3HZ LYS 57 -7.430 12.026 -8.763 412 HZ2 LYS 57 1HZ LYS 57 -6.947 10.907 -7.589 413 HZ3 LYS 57 2HZ LYS 57 -5.851 12.064 -8.157 414 H VAL 58 H VAL 58 -9.592 7.852 -6.888 415 HA VAL 58 HA VAL 58 -7.247 6.418 -7.688 416 HB VAL 58 HB VAL 58 -9.801 7.112 -9.130 417 HG11 VAL 58 1HG1 VAL 58 -8.532 5.107 -10.573 418 HG12 VAL 58 2HG1 VAL 58 -8.743 6.789 -11.063 419 HG13 VAL 58 3HG1 VAL 58 -7.263 6.287 -10.246 420 HG21 VAL 58 3HG2 VAL 58 -9.745 5.382 -7.278 421 HG22 VAL 58 1HG2 VAL 58 -10.375 4.840 -8.834 422 HG23 VAL 58 2HG2 VAL 58 -8.735 4.409 -8.348 423 H GLY 59 H GLY 59 -5.452 7.462 -8.267 424 HA2 GLY 59 1HA GLY 59 -4.474 8.612 -10.236 425 HA3 GLY 59 2HA GLY 59 -5.742 9.813 -10.037 426 H ASP 60 H ASP 60 -4.405 8.588 -7.139 427 HA ASP 60 HA ASP 60 -2.750 11.012 -6.870 428 HB2 ASP 60 1HB ASP 60 -4.723 9.760 -5.023 429 HB3 ASP 60 2HB ASP 60 -3.293 10.500 -4.310 430 H ASP 61 H ASP 61 -0.727 10.811 -6.021 431 HA ASP 61 HA ASP 61 0.519 8.267 -6.145 432 HB2 ASP 61 1HB ASP 61 1.407 11.012 -5.329 433 HB3 ASP 61 2HB ASP 61 2.449 9.627 -5.017 434 H VAL 62 H VAL 62 1.133 6.862 -4.574 435 HA VAL 62 HA VAL 62 0.854 7.572 -1.772 436 HB VAL 62 HB VAL 62 -0.490 5.382 -1.430 437 HG11 VAL 62 1HG1 VAL 62 -2.091 6.810 -0.852 438 HG12 VAL 62 2HG1 VAL 62 -1.202 8.080 -1.695 439 HG13 VAL 62 3HG1 VAL 62 -2.448 7.164 -2.542 440 HG21 VAL 62 3HG2 VAL 62 -0.547 5.694 -4.333 441 HG22 VAL 62 1HG2 VAL 62 -0.896 4.281 -3.336 442 HG23 VAL 62 2HG2 VAL 62 -2.145 5.496 -3.614 443 H GLU 63 H GLU 63 2.123 6.350 -0.428 444 HA GLU 63 HA GLU 63 3.934 4.473 -1.764 445 HB2 GLU 63 1HB GLU 63 4.773 6.490 -0.432 446 HB3 GLU 63 2HB GLU 63 4.269 5.611 1.005 447 HG2 GLU 63 1HG GLU 63 5.733 3.702 0.053 448 HG3 GLU 63 2HG GLU 63 6.458 4.978 -0.924 449 H PHE 64 H PHE 64 4.168 2.379 -1.136 450 HA PHE 64 HA PHE 64 2.789 1.420 1.243 451 HB2 PHE 64 1HB PHE 64 1.757 -0.453 -0.151 452 HB3 PHE 64 2HB PHE 64 1.019 1.138 -0.303 453 HD1 PHE 64 1HD PHE 64 1.353 2.473 -2.330 454 HD2 PHE 64 2HD PHE 64 2.872 -1.488 -1.988 455 HE1 PHE 64 1HE PHE 64 1.657 2.383 -4.770 456 HE2 PHE 64 2HE PHE 64 3.179 -1.585 -4.427 457 HZ PHE 64 HZ PHE 64 2.572 0.352 -5.821 458 H GLU 65 H GLU 65 3.120 -1.111 1.321 459 HA GLU 65 HA GLU 65 5.897 -1.668 0.507 460 HB2 GLU 65 1HB GLU 65 6.202 -1.497 2.771 461 HB3 GLU 65 2HB GLU 65 4.548 -1.964 3.139 462 HG2 GLU 65 1HG GLU 65 5.017 -4.198 3.100 463 HG3 GLU 65 2HG GLU 65 6.366 -4.008 1.982 464 H VAL 66 H VAL 66 6.184 -3.450 -0.662 465 HA VAL 66 HA VAL 66 3.933 -5.137 -1.280 466 HB VAL 66 HB VAL 66 6.812 -5.314 -2.179 467 HG11 VAL 66 1HG1 VAL 66 5.327 -7.430 -2.223 468 HG12 VAL 66 2HG1 VAL 66 4.498 -6.622 -3.554 469 HG13 VAL 66 3HG1 VAL 66 6.220 -6.984 -3.677 470 HG21 VAL 66 3HG2 VAL 66 5.902 -3.302 -3.018 471 HG22 VAL 66 1HG2 VAL 66 5.794 -4.465 -4.339 472 HG23 VAL 66 2HG2 VAL 66 4.358 -4.068 -3.395 473 H SER 67 H SER 67 3.367 -6.874 -0.165 474 HA SER 67 HA SER 67 5.461 -8.387 1.252 475 HB2 SER 67 1HB SER 67 3.714 -6.959 2.624 476 HB3 SER 67 2HB SER 67 2.660 -8.335 2.302 477 HG SER 67 HG SER 67 3.827 -9.548 3.596 478 H SER 68 H SER 68 4.373 -10.608 1.987 479 HA SER 68 HA SER 68 3.088 -11.734 -0.415 480 HB2 SER 68 1HB SER 68 4.245 -13.886 0.229 481 HB3 SER 68 2HB SER 68 5.324 -12.593 -0.295 482 HG SER 68 HG SER 68 5.175 -13.855 2.107 483 H ASP 69 H ASP 69 1.006 -12.018 0.074 484 HA ASP 69 HA ASP 69 -0.178 -12.262 2.536 485 HB2 ASP 69 1HB ASP 69 -1.238 -12.059 0.177 486 HB3 ASP 69 2HB ASP 69 -1.228 -13.820 0.190 487 H ARG 70 H ARG 70 -1.401 -14.268 3.329 488 HA ARG 70 HA ARG 70 0.498 -16.518 3.398 489 HB2 ARG 70 1HB ARG 70 -1.354 -15.367 5.459 490 HB3 ARG 70 2HB ARG 70 -0.832 -17.043 5.575 491 HG2 ARG 70 1HG ARG 70 0.519 -15.431 6.910 492 HG3 ARG 70 2HG ARG 70 1.450 -16.402 5.769 493 HD2 ARG 70 1HD ARG 70 2.045 -13.956 5.860 494 HD3 ARG 70 2HD ARG 70 1.663 -14.590 4.260 495 HE ARG 70 HE ARG 70 -0.200 -13.244 4.197 496 HH11 ARG 70 2HH1 ARG 70 1.113 -13.285 7.421 497 HH12 ARG 70 1HH1 ARG 70 0.107 -11.993 7.987 498 HH21 ARG 70 1HH2 ARG 70 -1.397 -11.003 6.570 499 HH22 ARG 70 2HH2 ARG 70 -1.531 -11.543 4.931 500 H ARG 71 H ARG 71 -2.581 -15.557 2.384 501 HA ARG 71 HA ARG 71 -3.649 -18.282 2.429 502 HB2 ARG 71 1HB ARG 71 -5.056 -15.794 1.465 503 HB3 ARG 71 2HB ARG 71 -5.777 -17.332 1.920 504 HG2 ARG 71 1HG ARG 71 -4.411 -15.396 3.778 505 HG3 ARG 71 2HG ARG 71 -6.151 -15.658 3.633 506 HD2 ARG 71 1HD ARG 71 -5.569 -18.128 4.161 507 HD3 ARG 71 2HD ARG 71 -4.051 -17.465 4.766 508 HE ARG 71 HE ARG 71 -5.173 -16.749 6.614 509 HH11 ARG 71 2HH1 ARG 71 -7.472 -17.239 4.046 510 HH12 ARG 71 1HH1 ARG 71 -8.851 -16.914 5.043 511 HH21 ARG 71 1HH2 ARG 71 -8.571 -16.390 7.255 512 HH22 ARG 71 2HH2 ARG 71 -6.981 -16.319 7.936 513 H THR 72 H THR 72 -2.802 -15.685 0.186 514 HA THR 72 HA THR 72 -3.068 -17.598 -2.039 515 HB THR 72 HB THR 72 -3.353 -15.726 -3.542 516 HG1 THR 72 1HG THR 72 -2.592 -14.263 -1.274 517 HG21 THR 72 3HG2 THR 72 -5.406 -16.464 -2.597 518 HG22 THR 72 1HG2 THR 72 -5.444 -14.702 -2.556 519 HG23 THR 72 2HG2 THR 72 -5.096 -15.611 -1.085 520 H GLY 73 H GLY 73 -0.883 -15.738 -0.199 521 HA2 GLY 73 1HA GLY 73 1.394 -15.469 -0.319 522 HA3 GLY 73 2HA GLY 73 1.393 -16.819 -1.445 523 H LYS 74 H LYS 74 -0.552 -14.150 -2.333 524 HA LYS 74 HA LYS 74 1.252 -13.559 -4.535 525 HB2 LYS 74 1HB LYS 74 -1.503 -12.458 -3.951 526 HB3 LYS 74 2HB LYS 74 -0.604 -12.266 -5.451 527 HG2 LYS 74 1HG LYS 74 -1.155 -15.021 -4.487 528 HG3 LYS 74 2HG LYS 74 -2.482 -14.091 -5.186 529 HD2 LYS 74 1HD LYS 74 -1.199 -13.746 -7.220 530 HD3 LYS 74 2HD LYS 74 0.180 -14.595 -6.518 531 HE2 LYS 74 1HE LYS 74 -1.026 -16.657 -6.472 532 HE3 LYS 74 2HE LYS 74 -2.531 -15.850 -6.911 533 HZ1 LYS 74 3HZ LYS 74 -0.702 -15.226 -8.891 534 HZ2 LYS 74 1HZ LYS 74 -2.032 -16.265 -9.014 535 HZ3 LYS 74 2HZ LYS 74 -0.513 -16.882 -8.600 536 HA PRO 75 HA PRO 75 2.931 -9.852 -2.883 537 HB2 PRO 75 2HB PRO 75 4.302 -9.803 -4.726 538 HB3 PRO 75 1HB PRO 75 3.301 -8.411 -5.154 539 HG2 PRO 75 1HG PRO 75 1.983 -9.648 -6.611 540 HG3 PRO 75 2HG PRO 75 3.533 -10.484 -6.812 541 HD2 PRO 75 1HD PRO 75 1.264 -11.775 -6.095 542 HD3 PRO 75 2HD PRO 75 2.870 -12.286 -5.537 543 H ILE 76 H ILE 76 1.380 -8.832 -1.671 544 HA ILE 76 HA ILE 76 -0.449 -7.023 -3.111 545 HB ILE 76 HB ILE 76 -1.939 -7.124 -1.175 546 HG12 ILE 76 1HG1 ILE 76 -0.421 -9.428 -0.034 547 HG13 ILE 76 2HG1 ILE 76 0.146 -7.800 0.323 548 HG21 ILE 76 1HG2 ILE 76 -2.568 -9.575 -1.388 549 HG22 ILE 76 2HG2 ILE 76 -2.485 -8.647 -2.884 550 HG23 ILE 76 3HG2 ILE 76 -1.167 -9.734 -2.447 551 HD11 ILE 76 3HD1 ILE 76 -2.709 -8.064 0.710 552 HD12 ILE 76 1HD1 ILE 76 -1.790 -9.206 1.689 553 HD13 ILE 76 2HD1 ILE 76 -1.465 -7.477 1.812 554 H ALA 77 H ALA 77 -1.068 -5.060 -1.827 555 HA ALA 77 HA ALA 77 1.355 -3.828 -0.790 556 HB1 ALA 77 3HB ALA 77 -1.022 -2.910 -2.147 557 HB2 ALA 77 1HB ALA 77 -0.688 -1.940 -0.712 558 HB3 ALA 77 2HB ALA 77 0.544 -2.121 -1.961 559 H VAL 78 H VAL 78 1.438 -2.698 1.205 560 HA VAL 78 HA VAL 78 -0.707 -3.101 3.122 561 HB VAL 78 HB VAL 78 0.854 -4.071 4.819 562 HG11 VAL 78 1HG1 VAL 78 0.611 -6.332 4.067 563 HG12 VAL 78 2HG1 VAL 78 -0.792 -5.416 3.516 564 HG13 VAL 78 3HG1 VAL 78 0.502 -5.814 2.385 565 HG21 VAL 78 3HG2 VAL 78 2.973 -4.812 4.312 566 HG22 VAL 78 1HG2 VAL 78 2.628 -4.948 2.587 567 HG23 VAL 78 2HG2 VAL 78 2.879 -3.361 3.314 568 H LYS 79 H LYS 79 -0.388 -1.898 5.107 569 HA LYS 79 HA LYS 79 0.004 0.106 6.130 570 HB2 LYS 79 1HB LYS 79 2.845 -0.486 5.279 571 HB3 LYS 79 2HB LYS 79 2.352 0.585 6.585 572 HG2 LYS 79 1HG LYS 79 1.591 -1.218 7.906 573 HG3 LYS 79 2HG LYS 79 1.684 -2.344 6.551 574 HD2 LYS 79 1HD LYS 79 4.132 -0.921 7.533 575 HD3 LYS 79 2HD LYS 79 3.553 -2.380 8.339 576 HE2 LYS 79 1HE LYS 79 3.522 -3.383 5.948 577 HE3 LYS 79 2HE LYS 79 4.593 -2.040 5.552 578 HZ1 LYS 79 3HZ LYS 79 6.112 -2.789 7.273 579 HZ2 LYS 79 1HZ LYS 79 5.837 -4.022 6.148 580 HZ3 LYS 79 2HZ LYS 79 5.082 -4.074 7.661 581 H LEU 80 H LEU 80 -1.029 0.607 3.713 582 HA LEU 80 HA LEU 80 0.522 2.176 1.968 583 HB2 LEU 80 1HB LEU 80 -2.036 1.196 1.985 584 HB3 LEU 80 2HB LEU 80 -2.297 2.929 2.165 585 HG LEU 80 HG LEU 80 -0.552 2.896 0.093 586 HD11 LEU 80 1HD1 LEU 80 -0.944 0.276 0.290 587 HD12 LEU 80 2HD1 LEU 80 -0.731 1.084 -1.263 588 HD13 LEU 80 3HD1 LEU 80 -2.351 0.677 -0.696 589 HD21 LEU 80 3HD2 LEU 80 -2.296 3.719 -1.122 590 HD22 LEU 80 1HD2 LEU 80 -2.996 3.831 0.494 591 HD23 LEU 80 2HD2 LEU 80 -3.420 2.481 -0.560 592 H VAL 81 H VAL 81 0.600 4.440 1.678 593 HA VAL 81 HA VAL 81 -0.460 6.183 3.727 594 HB VAL 81 HB VAL 81 1.830 7.184 4.169 595 HG11 VAL 81 1HG1 VAL 81 2.278 5.707 5.991 596 HG12 VAL 81 2HG1 VAL 81 0.529 5.757 5.761 597 HG13 VAL 81 3HG1 VAL 81 1.457 4.372 5.184 598 HG21 VAL 81 3HG2 VAL 81 2.618 5.332 2.247 599 HG22 VAL 81 1HG2 VAL 81 3.670 6.314 3.267 600 HG23 VAL 81 2HG2 VAL 81 3.224 4.683 3.770 601 H LYS 82 H LYS 82 -0.986 8.083 2.857 602 HA LYS 82 HA LYS 82 -0.555 8.615 0.113 603 HB2 LYS 82 1HB LYS 82 -2.439 9.428 1.731 604 HB3 LYS 82 2HB LYS 82 -1.333 10.754 2.065 605 HG2 LYS 82 1HG LYS 82 -1.574 11.665 -0.009 606 HG3 LYS 82 2HG LYS 82 -1.922 10.112 -0.773 607 HD2 LYS 82 1HD LYS 82 -4.143 10.098 0.212 608 HD3 LYS 82 2HD LYS 82 -3.797 11.607 1.061 609 HE2 LYS 82 1HE LYS 82 -3.265 12.442 -1.391 610 HE3 LYS 82 2HE LYS 82 -4.353 11.124 -1.822 611 HZ1 LYS 82 3HZ LYS 82 -6.124 12.127 -0.781 612 HZ2 LYS 82 1HZ LYS 82 -5.301 13.473 -1.392 613 HZ3 LYS 82 2HZ LYS 82 -5.154 13.062 0.242 614 H ILE 83 H ILE 83 1.213 9.369 -0.828 615 HA ILE 83 HA ILE 83 3.511 10.206 0.506 616 HB ILE 83 HB ILE 83 2.851 11.110 -2.285 617 HG12 ILE 83 1HG1 ILE 83 3.411 8.347 -1.267 618 HG13 ILE 83 2HG1 ILE 83 2.252 8.870 -2.485 619 HG21 ILE 83 1HG2 ILE 83 5.484 10.022 -1.464 620 HG22 ILE 83 2HG2 ILE 83 5.095 11.322 -2.590 621 HG23 ILE 83 3HG2 ILE 83 5.028 11.611 -0.851 622 HD11 ILE 83 3HD1 ILE 83 3.761 7.947 -3.872 623 HD12 ILE 83 1HD1 ILE 83 4.527 9.528 -3.729 624 HD13 ILE 83 2HD1 ILE 83 5.101 8.178 -2.750 625 H SER 84 H SER 84 1.327 12.264 -1.430 626 HA SER 84 HA SER 84 2.360 14.619 -0.056 627 HB2 SER 84 1HB SER 84 0.675 14.189 -2.508 628 HB3 SER 84 2HB SER 84 0.745 15.774 -1.738 629 HG SER 84 HG SER 84 2.938 14.274 -2.736 630 H GLY 85 H GLY 85 1.462 14.584 1.974 631 HA2 GLY 85 1HA GLY 85 -0.768 15.851 2.651 632 HA3 GLY 85 2HA GLY 85 -1.426 14.271 2.250 633 HA PRO 86 HA PRO 86 1.432 13.830 6.164 634 HB2 PRO 86 2HB PRO 86 2.917 15.578 6.283 635 HB3 PRO 86 1HB PRO 86 1.810 16.138 7.542 636 HG2 PRO 86 1HG PRO 86 0.732 17.618 6.114 637 HG3 PRO 86 2HG PRO 86 2.371 17.676 5.440 638 HD2 PRO 86 1HD PRO 86 0.202 17.049 3.945 639 HD3 PRO 86 2HD PRO 86 1.809 16.362 3.631 640 H SER 87 H SER 87 0.018 12.821 7.446 641 HA SER 87 HA SER 87 -2.524 13.851 8.140 642 HB2 SER 87 1HB SER 87 -1.621 11.381 8.074 643 HB3 SER 87 2HB SER 87 -1.214 11.698 9.761 644 HG SER 87 HG SER 87 -3.704 11.470 8.536 645 H SER 88 H SER 88 -3.251 14.899 9.919 646 HA SER 88 HA SER 88 -1.332 15.450 12.078 647 HB2 SER 88 1HB SER 88 -1.914 17.771 12.128 648 HB3 SER 88 2HB SER 88 -1.528 17.379 10.452 649 HG SER 88 HG SER 88 -3.438 18.579 10.548 650 H GLY 89 H GLY 89 -2.189 15.633 14.133 651 HA2 GLY 89 1HA GLY 89 -4.174 16.023 15.534 652 HA3 GLY 89 2HA GLY 89 -5.084 15.081 14.362 Start of MODEL 9 1 H1 GLY 1 H GLY 1 22.531 15.922 22.470 2 HA2 GLY 1 1HA GLY 1 22.108 13.807 20.892 3 HA3 GLY 1 2HA GLY 1 22.766 14.957 19.737 4 H SER 2 H SER 2 24.441 13.286 19.500 5 HA SER 2 HA SER 2 26.747 13.967 21.055 6 HB2 SER 2 1HB SER 2 25.480 12.218 22.444 7 HB3 SER 2 2HB SER 2 25.931 11.067 21.187 8 HG SER 2 HG SER 2 28.057 11.360 21.677 9 H SER 3 H SER 3 28.491 13.834 19.795 10 HA SER 3 HA SER 3 28.470 13.334 17.123 11 HB2 SER 3 1HB SER 3 30.881 13.179 17.204 12 HB3 SER 3 2HB SER 3 30.359 14.357 18.407 13 HG SER 3 HG SER 3 30.610 12.747 19.995 14 H GLY 4 H GLY 4 27.723 11.578 16.120 15 HA2 GLY 4 1HA GLY 4 28.545 8.936 17.155 16 HA3 GLY 4 2HA GLY 4 27.042 9.233 16.295 17 H SER 5 H SER 5 30.532 9.758 15.772 18 HA SER 5 HA SER 5 30.308 9.530 12.943 19 HB2 SER 5 1HB SER 5 32.576 9.706 14.889 20 HB3 SER 5 2HB SER 5 32.911 9.211 13.230 21 HG SER 5 HG SER 5 33.055 11.497 13.562 22 H SER 6 H SER 6 29.166 7.527 12.726 23 HA SER 6 HA SER 6 30.853 5.149 13.154 24 HB2 SER 6 1HB SER 6 28.590 5.323 14.365 25 HB3 SER 6 2HB SER 6 27.863 5.077 12.777 26 HG SER 6 HG SER 6 29.865 3.314 13.625 27 H GLY 7 H GLY 7 28.673 6.792 10.915 28 HA2 GLY 7 1HA GLY 7 28.966 6.864 8.580 29 HA3 GLY 7 2HA GLY 7 30.036 5.475 8.695 30 H GLY 8 H GLY 8 29.260 3.573 8.050 31 HA2 GLY 8 1HA GLY 8 26.636 2.656 8.539 32 HA3 GLY 8 2HA GLY 8 26.725 3.295 6.904 33 H TYR 9 H TYR 9 28.928 1.353 8.926 34 HA TYR 9 HA TYR 9 28.688 -0.882 7.092 35 HB2 TYR 9 1HB TYR 9 31.375 0.422 7.561 36 HB3 TYR 9 2HB TYR 9 31.062 -1.009 6.586 37 HD1 TYR 9 2HD TYR 9 30.605 2.646 6.780 38 HD2 TYR 9 1HD TYR 9 30.259 -0.825 4.344 39 HE1 TYR 9 2HE TYR 9 30.275 4.072 4.804 40 HE2 TYR 9 1HE TYR 9 29.929 0.592 2.361 41 HH TYR 9 HH TYR 9 30.751 3.427 1.971 42 HA PRO 10 HA PRO 10 30.082 -2.732 6.742 43 HB2 PRO 10 2HB PRO 10 30.823 -4.772 7.495 44 HB3 PRO 10 1HB PRO 10 29.136 -5.229 7.230 45 HG2 PRO 10 1HG PRO 10 28.589 -5.000 9.475 46 HG3 PRO 10 2HG PRO 10 30.273 -5.539 9.620 47 HD2 PRO 10 1HD PRO 10 29.375 -3.246 10.746 48 HD3 PRO 10 2HD PRO 10 31.035 -3.428 10.145 49 H ASN 11 H ASN 11 28.538 -2.584 5.219 50 HA ASN 11 HA ASN 11 26.099 -1.546 5.474 51 HB2 ASN 11 1HB ASN 11 26.657 -3.841 3.584 52 HB3 ASN 11 2HB ASN 11 25.438 -2.587 3.380 53 HD21 ASN 11 2HD2 ASN 11 28.220 -1.623 1.248 54 HD22 ASN 11 1HD2 ASN 11 27.023 -2.866 1.332 55 H GLY 12 H GLY 12 24.148 -2.040 6.279 56 HA2 GLY 12 1HA GLY 12 23.838 -4.520 7.725 57 HA3 GLY 12 2HA GLY 12 22.691 -3.189 7.673 58 H THR 13 H THR 13 20.833 -4.218 7.180 59 HA THR 13 HA THR 13 20.531 -5.210 4.491 60 HB THR 13 HB THR 13 21.311 -7.240 5.659 61 HG1 THR 13 1HG THR 13 18.749 -7.009 4.556 62 HG21 THR 13 3HG2 THR 13 18.863 -7.680 7.168 63 HG22 THR 13 1HG2 THR 13 19.791 -6.309 7.773 64 HG23 THR 13 2HG2 THR 13 20.544 -7.899 7.656 65 H SER 14 H SER 14 18.773 -4.152 3.862 66 HA SER 14 HA SER 14 16.600 -3.722 5.791 67 HB2 SER 14 1HB SER 14 17.331 -2.306 3.224 68 HB3 SER 14 2HB SER 14 15.812 -2.024 4.074 69 HG SER 14 HG SER 14 18.309 -1.801 5.376 70 H ALA 15 H ALA 15 15.370 -5.539 5.685 71 HA ALA 15 HA ALA 15 14.711 -6.801 3.187 72 HB1 ALA 15 3HB ALA 15 14.972 -8.072 5.289 73 HB2 ALA 15 1HB ALA 15 13.526 -7.281 5.917 74 HB3 ALA 15 2HB ALA 15 13.412 -8.343 4.513 75 H ALA 16 H ALA 16 13.568 -4.096 4.783 76 HA ALA 16 HA ALA 16 10.902 -4.344 3.554 77 HB1 ALA 16 3HB ALA 16 9.980 -3.321 5.326 78 HB2 ALA 16 1HB ALA 16 11.463 -3.796 6.153 79 HB3 ALA 16 2HB ALA 16 11.308 -2.172 5.483 80 H LEU 17 H LEU 17 10.519 -3.147 1.816 81 HA LEU 17 HA LEU 17 11.925 -0.589 1.504 82 HB2 LEU 17 1HB LEU 17 13.148 -2.146 0.150 83 HB3 LEU 17 2HB LEU 17 11.659 -2.759 -0.567 84 HG LEU 17 HG LEU 17 13.218 -1.117 -1.887 85 HD11 LEU 17 1HD1 LEU 17 10.848 -2.053 -2.386 86 HD12 LEU 17 2HD1 LEU 17 11.442 -0.658 -3.286 87 HD13 LEU 17 3HD1 LEU 17 10.312 -0.429 -1.952 88 HD21 LEU 17 3HD2 LEU 17 12.907 1.153 -1.556 89 HD22 LEU 17 1HD2 LEU 17 12.993 0.537 0.094 90 HD23 LEU 17 2HD2 LEU 17 11.428 0.920 -0.624 91 H ARG 18 H ARG 18 10.364 0.888 1.543 92 HA ARG 18 HA ARG 18 7.671 0.335 0.778 93 HB2 ARG 18 1HB ARG 18 9.011 2.990 1.328 94 HB3 ARG 18 2HB ARG 18 7.277 2.714 1.230 95 HG2 ARG 18 1HG ARG 18 9.063 1.370 3.242 96 HG3 ARG 18 2HG ARG 18 8.200 2.879 3.545 97 HD2 ARG 18 1HD ARG 18 6.741 0.449 2.579 98 HD3 ARG 18 2HD ARG 18 7.132 0.640 4.287 99 HE ARG 18 HE ARG 18 5.143 2.081 2.788 100 HH11 ARG 18 2HH1 ARG 18 7.203 2.109 5.594 101 HH12 ARG 18 1HH1 ARG 18 6.206 3.216 6.477 102 HH21 ARG 18 1HH2 ARG 18 4.282 4.029 5.536 103 HH22 ARG 18 2HH2 ARG 18 3.821 3.540 3.940 104 H GLU 19 H GLU 19 6.814 0.393 -1.187 105 HA GLU 19 HA GLU 19 8.318 1.717 -3.335 106 HB2 GLU 19 1HB GLU 19 6.125 -0.350 -3.566 107 HB3 GLU 19 2HB GLU 19 7.114 0.275 -4.879 108 HG2 GLU 19 1HG GLU 19 8.464 -1.020 -2.569 109 HG3 GLU 19 2HG GLU 19 7.638 -2.033 -3.752 110 H THR 20 H THR 20 7.188 2.950 -4.924 111 HA THR 20 HA THR 20 4.624 4.047 -3.967 112 HB THR 20 HB THR 20 5.234 6.229 -4.728 113 HG1 THR 20 1HG THR 20 7.312 4.837 -5.999 114 HG21 THR 20 3HG2 THR 20 6.364 6.595 -2.845 115 HG22 THR 20 1HG2 THR 20 7.824 5.910 -3.557 116 HG23 THR 20 2HG2 THR 20 6.677 4.864 -2.719 117 H GLY 21 H GLY 21 3.081 4.618 -5.521 118 HA2 GLY 21 1HA GLY 21 3.649 4.163 -8.332 119 HA3 GLY 21 2HA GLY 21 2.548 3.007 -7.598 120 H VAL 22 H VAL 22 0.636 3.509 -8.502 121 HA VAL 22 HA VAL 22 -0.537 6.076 -7.804 122 HB VAL 22 HB VAL 22 0.567 6.171 -10.160 123 HG11 VAL 22 1HG1 VAL 22 -0.597 5.255 -11.965 124 HG12 VAL 22 2HG1 VAL 22 -0.584 3.957 -10.768 125 HG13 VAL 22 3HG1 VAL 22 -2.035 4.935 -10.996 126 HG21 VAL 22 3HG2 VAL 22 -0.792 7.957 -9.358 127 HG22 VAL 22 1HG2 VAL 22 -1.348 7.566 -10.985 128 HG23 VAL 22 2HG2 VAL 22 -2.267 7.017 -9.583 129 H ILE 23 H ILE 23 -2.620 5.865 -7.256 130 HA ILE 23 HA ILE 23 -3.830 3.334 -7.069 131 HB ILE 23 HB ILE 23 -5.061 6.083 -6.868 132 HG12 ILE 23 1HG1 ILE 23 -3.269 5.405 -5.208 133 HG13 ILE 23 2HG1 ILE 23 -4.822 5.847 -4.509 134 HG21 ILE 23 1HG2 ILE 23 -6.697 4.288 -7.441 135 HG22 ILE 23 2HG2 ILE 23 -6.245 3.472 -5.946 136 HG23 ILE 23 3HG2 ILE 23 -6.992 5.068 -5.888 137 HD11 ILE 23 3HD1 ILE 23 -5.249 3.743 -3.785 138 HD12 ILE 23 1HD1 ILE 23 -4.357 2.985 -5.105 139 HD13 ILE 23 2HD1 ILE 23 -3.486 3.699 -3.747 140 H GLU 24 H GLU 24 -4.019 2.296 -9.022 141 HA GLU 24 HA GLU 24 -5.065 3.511 -11.366 142 HB2 GLU 24 1HB GLU 24 -3.598 1.393 -11.136 143 HB3 GLU 24 2HB GLU 24 -5.114 0.551 -10.843 144 HG2 GLU 24 1HG GLU 24 -4.674 0.289 -13.128 145 HG3 GLU 24 2HG GLU 24 -5.928 1.524 -13.027 146 H LYS 25 H LYS 25 -6.467 1.399 -8.889 147 HA LYS 25 HA LYS 25 -9.129 2.311 -9.717 148 HB2 LYS 25 1HB LYS 25 -8.332 -0.119 -10.491 149 HB3 LYS 25 2HB LYS 25 -8.867 -0.528 -8.866 150 HG2 LYS 25 1HG LYS 25 -10.713 1.095 -10.507 151 HG3 LYS 25 2HG LYS 25 -10.480 -0.588 -10.984 152 HD2 LYS 25 1HD LYS 25 -11.166 -1.362 -8.824 153 HD3 LYS 25 2HD LYS 25 -11.190 0.283 -8.186 154 HE2 LYS 25 1HE LYS 25 -12.938 -0.630 -10.460 155 HE3 LYS 25 2HE LYS 25 -13.436 -0.712 -8.771 156 HZ1 LYS 25 3HZ LYS 25 -14.068 1.340 -10.165 157 HZ2 LYS 25 1HZ LYS 25 -12.468 1.828 -9.907 158 HZ3 LYS 25 2HZ LYS 25 -13.498 1.573 -8.590 159 H LEU 26 H LEU 26 -10.742 2.170 -8.060 160 HA LEU 26 HA LEU 26 -9.848 1.533 -5.365 161 HB2 LEU 26 1HB LEU 26 -9.356 3.991 -5.972 162 HB3 LEU 26 2HB LEU 26 -11.101 4.210 -5.861 163 HG LEU 26 HG LEU 26 -10.706 3.090 -3.484 164 HD11 LEU 26 1HD1 LEU 26 -8.604 3.974 -2.515 165 HD12 LEU 26 2HD1 LEU 26 -8.075 4.402 -4.142 166 HD13 LEU 26 3HD1 LEU 26 -8.347 2.711 -3.719 167 HD21 LEU 26 3HD2 LEU 26 -10.128 5.612 -2.789 168 HD22 LEU 26 1HD2 LEU 26 -11.731 5.099 -3.316 169 HD23 LEU 26 2HD2 LEU 26 -10.636 5.879 -4.458 170 H LEU 27 H LEU 27 -11.471 0.842 -4.058 171 HA LEU 27 HA LEU 27 -14.234 1.172 -5.002 172 HB2 LEU 27 1HB LEU 27 -13.045 -1.392 -3.954 173 HB3 LEU 27 2HB LEU 27 -14.723 -1.143 -4.434 174 HG LEU 27 HG LEU 27 -13.594 -0.531 -6.748 175 HD11 LEU 27 1HD1 LEU 27 -11.317 -0.704 -6.205 176 HD12 LEU 27 2HD1 LEU 27 -11.692 -2.186 -7.083 177 HD13 LEU 27 3HD1 LEU 27 -11.554 -2.214 -5.326 178 HD21 LEU 27 3HD2 LEU 27 -14.783 -2.317 -7.304 179 HD22 LEU 27 1HD2 LEU 27 -14.834 -2.809 -5.611 180 HD23 LEU 27 2HD2 LEU 27 -13.528 -3.372 -6.653 181 H THR 28 H THR 28 -15.654 -0.021 -3.105 182 HA THR 28 HA THR 28 -15.235 1.683 -0.817 183 HB THR 28 HB THR 28 -17.393 -0.312 -1.501 184 HG1 THR 28 1HG THR 28 -17.252 2.527 -1.361 185 HG21 THR 28 3HG2 THR 28 -17.060 1.365 0.984 186 HG22 THR 28 1HG2 THR 28 -17.200 -0.390 0.883 187 HG23 THR 28 2HG2 THR 28 -18.586 0.630 0.496 188 H SER 29 H SER 29 -14.577 -1.588 -1.672 189 HA SER 29 HA SER 29 -14.179 -2.366 1.121 190 HB2 SER 29 1HB SER 29 -14.327 -3.901 -1.463 191 HB3 SER 29 2HB SER 29 -13.647 -4.636 -0.011 192 HG SER 29 HG SER 29 -15.887 -5.051 -0.209 193 H TYR 30 H TYR 30 -12.417 -2.012 -1.920 194 HA TYR 30 HA TYR 30 -9.975 -1.459 -0.529 195 HB2 TYR 30 1HB TYR 30 -8.795 -3.373 -1.878 196 HB3 TYR 30 2HB TYR 30 -9.555 -3.725 -0.330 197 HD1 TYR 30 1HD TYR 30 -11.074 -3.283 -3.708 198 HD2 TYR 30 2HD TYR 30 -10.294 -5.924 -0.464 199 HE1 TYR 30 1HE TYR 30 -12.458 -5.006 -4.786 200 HE2 TYR 30 2HE TYR 30 -11.676 -7.655 -1.534 201 HH TYR 30 HH TYR 30 -13.547 -7.755 -3.185 202 H GLY 31 H GLY 31 -8.097 -1.452 -2.291 203 HA2 GLY 31 1HA GLY 31 -9.135 -0.554 -4.880 204 HA3 GLY 31 2HA GLY 31 -8.207 0.594 -3.926 205 H PHE 32 H PHE 32 -7.433 -0.178 -6.482 206 HA PHE 32 HA PHE 32 -5.138 -1.951 -5.988 207 HB2 PHE 32 1HB PHE 32 -6.466 -1.183 -8.595 208 HB3 PHE 32 2HB PHE 32 -5.049 -2.218 -8.452 209 HD1 PHE 32 2HD PHE 32 -8.615 -1.941 -7.471 210 HD2 PHE 32 1HD PHE 32 -5.282 -4.510 -8.110 211 HE1 PHE 32 2HE PHE 32 -10.080 -3.900 -7.213 212 HE2 PHE 32 1HE PHE 32 -6.743 -6.473 -7.855 213 HZ PHE 32 HZ PHE 32 -9.145 -6.170 -7.405 214 H ILE 33 H ILE 33 -3.078 -1.367 -6.833 215 HA ILE 33 HA ILE 33 -2.762 1.487 -7.473 216 HB ILE 33 HB ILE 33 -1.084 -0.104 -5.533 217 HG12 ILE 33 1HG1 ILE 33 -2.367 2.519 -4.911 218 HG13 ILE 33 2HG1 ILE 33 -3.382 1.082 -4.946 219 HG21 ILE 33 1HG2 ILE 33 0.611 1.177 -6.219 220 HG22 ILE 33 2HG2 ILE 33 -0.453 2.233 -7.146 221 HG23 ILE 33 3HG2 ILE 33 -0.226 2.508 -5.419 222 HD11 ILE 33 3HD1 ILE 33 -1.364 1.926 -2.997 223 HD12 ILE 33 1HD1 ILE 33 -2.814 0.944 -2.787 224 HD13 ILE 33 2HD1 ILE 33 -1.336 0.213 -3.416 225 H GLN 34 H GLN 34 -1.926 1.632 -9.440 226 HA GLN 34 HA GLN 34 -0.470 -0.538 -10.637 227 HB2 GLN 34 1HB GLN 34 -1.944 0.730 -12.045 228 HB3 GLN 34 2HB GLN 34 -1.154 2.238 -11.605 229 HG2 GLN 34 1HG GLN 34 -0.159 1.920 -13.603 230 HG3 GLN 34 2HG GLN 34 0.951 0.971 -12.616 231 HE21 GLN 34 2HE2 GLN 34 0.007 -2.129 -13.947 232 HE22 GLN 34 1HE2 GLN 34 0.753 -1.308 -12.623 233 H CYS 35 H CYS 35 1.401 -0.757 -9.389 234 HA CYS 35 HA CYS 35 3.159 1.024 -8.423 235 HB2 CYS 35 1HB CYS 35 3.730 -1.541 -9.902 236 HB3 CYS 35 2HB CYS 35 5.001 -0.611 -9.116 237 HG CYS 35 HG CYS 35 2.418 -1.226 -7.099 238 H SER 36 H SER 36 4.531 2.549 -9.123 239 HA SER 36 HA SER 36 4.647 3.033 -12.009 240 HB2 SER 36 1HB SER 36 5.091 4.780 -9.598 241 HB3 SER 36 2HB SER 36 5.642 5.276 -11.198 242 HG SER 36 HG SER 36 3.074 5.085 -10.181 243 H GLU 37 H GLU 37 6.397 1.366 -9.869 244 HA GLU 37 HA GLU 37 8.995 2.203 -10.968 245 HB2 GLU 37 1HB GLU 37 8.457 0.502 -8.529 246 HB3 GLU 37 2HB GLU 37 10.023 1.098 -9.063 247 HG2 GLU 37 1HG GLU 37 8.811 3.433 -8.838 248 HG3 GLU 37 2HG GLU 37 7.807 2.527 -7.707 249 H ARG 38 H ARG 38 6.943 -0.602 -10.326 250 HA ARG 38 HA ARG 38 8.711 -2.254 -11.989 251 HB2 ARG 38 1HB ARG 38 7.558 -4.178 -11.039 252 HB3 ARG 38 2HB ARG 38 8.165 -3.136 -9.759 253 HG2 ARG 38 1HG ARG 38 6.011 -2.328 -9.254 254 HG3 ARG 38 2HG ARG 38 5.333 -2.989 -10.744 255 HD2 ARG 38 1HD ARG 38 6.415 -4.588 -8.426 256 HD3 ARG 38 2HD ARG 38 4.711 -4.336 -8.800 257 HE ARG 38 HE ARG 38 5.865 -5.434 -11.064 258 HH11 ARG 38 2HH1 ARG 38 5.347 -6.343 -7.743 259 HH12 ARG 38 1HH1 ARG 38 5.254 -8.039 -8.086 260 HH21 ARG 38 1HH2 ARG 38 5.482 -8.789 -10.239 261 HH22 ARG 38 2HH2 ARG 38 5.745 -7.664 -11.527 262 H GLN 39 H GLN 39 5.840 -0.505 -12.121 263 HA GLN 39 HA GLN 39 4.223 -0.279 -13.704 264 HB2 GLN 39 1HB GLN 39 6.023 -2.086 -15.326 265 HB3 GLN 39 2HB GLN 39 4.664 -1.169 -15.961 266 HG2 GLN 39 1HG GLN 39 6.781 0.313 -14.506 267 HG3 GLN 39 2HG GLN 39 7.149 -0.293 -16.120 268 HE21 GLN 39 2HE2 GLN 39 5.357 3.147 -15.845 269 HE22 GLN 39 1HE2 GLN 39 6.405 2.404 -14.690 270 H ALA 40 H ALA 40 3.564 -1.987 -11.760 271 HA ALA 40 HA ALA 40 2.065 -4.067 -13.196 272 HB1 ALA 40 3HB ALA 40 3.209 -5.674 -12.178 273 HB2 ALA 40 1HB ALA 40 4.112 -4.492 -11.230 274 HB3 ALA 40 2HB ALA 40 2.565 -5.100 -10.640 275 H ARG 41 H ARG 41 0.014 -4.507 -12.409 276 HA ARG 41 HA ARG 41 -1.162 -2.399 -10.822 277 HB2 ARG 41 1HB ARG 41 -2.169 -4.631 -12.509 278 HB3 ARG 41 2HB ARG 41 -3.230 -4.043 -11.235 279 HG2 ARG 41 1HG ARG 41 -3.472 -1.969 -12.206 280 HG3 ARG 41 2HG ARG 41 -1.961 -2.100 -13.108 281 HD2 ARG 41 1HD ARG 41 -4.489 -3.656 -13.647 282 HD3 ARG 41 2HD ARG 41 -3.904 -2.280 -14.581 283 HE ARG 41 HE ARG 41 -1.909 -4.258 -14.496 284 HH11 ARG 41 2HH1 ARG 41 -5.045 -3.658 -15.885 285 HH12 ARG 41 1HH1 ARG 41 -4.769 -4.666 -17.267 286 HH21 ARG 41 1HH2 ARG 41 -2.773 -5.764 -17.508 287 HH22 ARG 41 2HH2 ARG 41 -1.535 -5.588 -16.311 288 H LEU 42 H LEU 42 -0.672 -2.570 -8.698 289 HA LEU 42 HA LEU 42 -0.735 -5.132 -7.352 290 HB2 LEU 42 1HB LEU 42 0.061 -2.360 -6.651 291 HB3 LEU 42 2HB LEU 42 -0.410 -3.434 -5.335 292 HG LEU 42 HG LEU 42 1.915 -3.702 -7.221 293 HD11 LEU 42 1HD1 LEU 42 3.199 -3.189 -5.457 294 HD12 LEU 42 2HD1 LEU 42 2.208 -4.119 -4.333 295 HD13 LEU 42 3HD1 LEU 42 1.719 -2.490 -4.800 296 HD21 LEU 42 3HD2 LEU 42 0.465 -5.795 -5.690 297 HD22 LEU 42 1HD2 LEU 42 2.228 -5.853 -5.712 298 HD23 LEU 42 2HD2 LEU 42 1.326 -5.904 -7.227 299 H PHE 43 H PHE 43 -1.950 -5.336 -5.272 300 HA PHE 43 HA PHE 43 -4.579 -4.020 -5.456 301 HB2 PHE 43 1HB PHE 43 -5.229 -6.138 -6.024 302 HB3 PHE 43 2HB PHE 43 -3.868 -6.891 -5.200 303 HD1 PHE 43 2HD PHE 43 -6.336 -4.528 -3.770 304 HD2 PHE 43 1HD PHE 43 -4.924 -8.540 -3.927 305 HE1 PHE 43 2HE PHE 43 -7.807 -5.115 -1.888 306 HE2 PHE 43 1HE PHE 43 -6.394 -9.134 -2.045 307 HZ PHE 43 HZ PHE 43 -7.837 -7.421 -1.022 308 H PHE 44 H PHE 44 -4.569 -2.582 -3.838 309 HA PHE 44 HA PHE 44 -3.479 -3.377 -1.234 310 HB2 PHE 44 1HB PHE 44 -3.063 -1.158 -0.791 311 HB3 PHE 44 2HB PHE 44 -2.933 -1.145 -2.547 312 HD1 PHE 44 2HD PHE 44 -4.959 -0.156 0.329 313 HD2 PHE 44 1HD PHE 44 -4.621 -0.094 -3.914 314 HE1 PHE 44 2HE PHE 44 -6.708 1.570 0.218 315 HE2 PHE 44 1HE PHE 44 -6.370 1.633 -4.031 316 HZ PHE 44 HZ PHE 44 -7.417 2.467 -1.963 317 H HIS 45 H HIS 45 -4.705 -3.466 0.589 318 HA HIS 45 HA HIS 45 -7.594 -3.463 0.200 319 HB2 HIS 45 1HB HIS 45 -6.034 -5.227 1.489 320 HB3 HIS 45 2HB HIS 45 -6.417 -4.160 2.837 321 HD1 HIS 45 1HD HIS 45 -9.328 -3.546 2.385 322 HD2 HIS 45 2HD HIS 45 -7.708 -7.327 1.801 323 HE1 HIS 45 1HE HIS 45 -11.260 -5.143 2.585 324 HE2 HIS 45 2HE HIS 45 -10.241 -7.431 2.314 325 H CYS 46 H CYS 46 -9.003 -2.111 1.212 326 HA CYS 46 HA CYS 46 -8.235 0.452 1.908 327 HB2 CYS 46 1HB CYS 46 -10.457 0.854 2.409 328 HB3 CYS 46 2HB CYS 46 -10.593 -0.583 1.401 329 HG CYS 46 HG CYS 46 -11.084 -0.268 4.743 330 H SER 47 H SER 47 -7.935 -2.398 3.726 331 HA SER 47 HA SER 47 -8.026 -1.156 6.325 332 HB2 SER 47 1HB SER 47 -7.470 -3.902 5.286 333 HB3 SER 47 2HB SER 47 -6.904 -3.487 6.903 334 HG SER 47 HG SER 47 -8.881 -3.607 7.590 335 H GLN 48 H GLN 48 -5.603 -1.962 3.947 336 HA GLN 48 HA GLN 48 -3.319 -1.778 5.581 337 HB2 GLN 48 1HB GLN 48 -3.566 -1.138 2.637 338 HB3 GLN 48 2HB GLN 48 -2.072 -1.482 3.500 339 HG2 GLN 48 1HG GLN 48 -4.356 -3.399 3.091 340 HG3 GLN 48 2HG GLN 48 -2.826 -3.403 2.215 341 HE21 GLN 48 2HE2 GLN 48 -2.806 -5.879 5.022 342 HE22 GLN 48 1HE2 GLN 48 -3.901 -5.554 3.726 343 H TYR 49 H TYR 49 -5.001 0.651 3.616 344 HA TYR 49 HA TYR 49 -3.260 2.784 4.017 345 HB2 TYR 49 1HB TYR 49 -5.162 2.761 2.409 346 HB3 TYR 49 2HB TYR 49 -6.271 2.942 3.763 347 HD1 TYR 49 2HD TYR 49 -3.018 4.619 3.030 348 HD2 TYR 49 1HD TYR 49 -7.213 5.053 3.592 349 HE1 TYR 49 2HE TYR 49 -2.777 7.063 2.894 350 HE2 TYR 49 1HE TYR 49 -6.984 7.498 3.457 351 HH TYR 49 HH TYR 49 -5.283 9.208 3.763 352 H ASN 50 H ASN 50 -2.791 4.046 5.699 353 HA ASN 50 HA ASN 50 -4.008 3.511 8.254 354 HB2 ASN 50 1HB ASN 50 -1.508 4.104 7.668 355 HB3 ASN 50 2HB ASN 50 -2.083 5.761 7.822 356 HD21 ASN 50 2HD2 ASN 50 -1.133 3.691 11.057 357 HD22 ASN 50 1HD2 ASN 50 -0.719 3.252 9.438 358 H GLY 51 H GLY 51 -4.010 6.124 5.893 359 HA2 GLY 51 1HA GLY 51 -5.409 7.990 7.538 360 HA3 GLY 51 2HA GLY 51 -5.193 8.098 5.797 361 H ASN 52 H ASN 52 -7.221 8.593 5.147 362 HA ASN 52 HA ASN 52 -9.307 6.601 5.736 363 HB2 ASN 52 1HB ASN 52 -9.594 8.833 6.937 364 HB3 ASN 52 2HB ASN 52 -9.875 9.539 5.349 365 HD21 ASN 52 2HD2 ASN 52 -13.246 8.957 6.018 366 HD22 ASN 52 1HD2 ASN 52 -11.974 10.120 5.898 367 H LEU 53 H LEU 53 -9.627 5.523 3.902 368 HA LEU 53 HA LEU 53 -8.913 5.978 1.379 369 HB2 LEU 53 1HB LEU 53 -11.303 4.690 2.551 370 HB3 LEU 53 2HB LEU 53 -11.351 5.015 0.819 371 HG LEU 53 HG LEU 53 -10.606 2.711 1.449 372 HD11 LEU 53 1HD1 LEU 53 -8.231 3.473 0.101 373 HD12 LEU 53 2HD1 LEU 53 -9.539 4.510 -0.467 374 HD13 LEU 53 3HD1 LEU 53 -9.697 2.757 -0.569 375 HD21 LEU 53 3HD2 LEU 53 -9.204 3.742 3.409 376 HD22 LEU 53 1HD2 LEU 53 -7.953 3.862 2.172 377 HD23 LEU 53 2HD2 LEU 53 -8.648 2.291 2.573 378 H GLN 54 H GLN 54 -11.707 7.482 2.927 379 HA GLN 54 HA GLN 54 -13.010 8.686 0.881 380 HB2 GLN 54 1HB GLN 54 -12.328 9.694 3.625 381 HB3 GLN 54 2HB GLN 54 -13.245 10.697 2.509 382 HG2 GLN 54 1HG GLN 54 -14.948 9.684 3.621 383 HG3 GLN 54 2HG GLN 54 -14.725 8.537 2.301 384 HE21 GLN 54 2HE2 GLN 54 -14.792 7.018 5.818 385 HE22 GLN 54 1HE2 GLN 54 -15.689 8.342 5.164 386 H ASP 55 H ASP 55 -10.100 9.988 2.464 387 HA ASP 55 HA ASP 55 -9.859 12.233 0.756 388 HB2 ASP 55 1HB ASP 55 -8.098 10.870 2.743 389 HB3 ASP 55 2HB ASP 55 -7.359 12.009 1.620 390 H LEU 56 H LEU 56 -8.579 8.958 0.632 391 HA LEU 56 HA LEU 56 -6.775 9.389 -1.510 392 HB2 LEU 56 1HB LEU 56 -7.013 7.411 0.185 393 HB3 LEU 56 2HB LEU 56 -8.091 6.750 -1.043 394 HG LEU 56 HG LEU 56 -6.279 6.741 -2.662 395 HD11 LEU 56 1HD1 LEU 56 -4.688 8.281 -2.386 396 HD12 LEU 56 2HD1 LEU 56 -3.957 7.139 -1.258 397 HD13 LEU 56 3HD1 LEU 56 -5.002 8.426 -0.656 398 HD21 LEU 56 3HD2 LEU 56 -6.583 5.025 -0.578 399 HD22 LEU 56 1HD2 LEU 56 -4.887 5.477 -0.410 400 HD23 LEU 56 2HD2 LEU 56 -5.468 4.783 -1.924 401 H LYS 57 H LYS 57 -6.976 8.910 -3.705 402 HA LYS 57 HA LYS 57 -9.588 8.202 -4.764 403 HB2 LYS 57 1HB LYS 57 -9.656 10.149 -6.277 404 HB3 LYS 57 2HB LYS 57 -9.759 10.620 -4.586 405 HG2 LYS 57 1HG LYS 57 -7.468 11.325 -4.580 406 HG3 LYS 57 2HG LYS 57 -7.226 10.695 -6.211 407 HD2 LYS 57 1HD LYS 57 -9.229 12.320 -6.765 408 HD3 LYS 57 2HD LYS 57 -8.668 13.140 -5.306 409 HE2 LYS 57 1HE LYS 57 -7.585 14.135 -7.198 410 HE3 LYS 57 2HE LYS 57 -6.387 13.207 -6.297 411 HZ1 LYS 57 3HZ LYS 57 -7.291 12.873 -8.988 412 HZ2 LYS 57 1HZ LYS 57 -7.384 11.430 -8.108 413 HZ3 LYS 57 2HZ LYS 57 -5.911 12.253 -8.231 414 H VAL 58 H VAL 58 -9.536 7.664 -7.036 415 HA VAL 58 HA VAL 58 -7.210 6.227 -7.766 416 HB VAL 58 HB VAL 58 -9.715 6.935 -9.277 417 HG11 VAL 58 1HG1 VAL 58 -8.542 4.921 -10.719 418 HG12 VAL 58 2HG1 VAL 58 -8.563 6.627 -11.171 419 HG13 VAL 58 3HG1 VAL 58 -7.171 5.955 -10.320 420 HG21 VAL 58 3HG2 VAL 58 -8.658 4.279 -8.316 421 HG22 VAL 58 1HG2 VAL 58 -9.824 5.268 -7.439 422 HG23 VAL 58 2HG2 VAL 58 -10.244 4.602 -9.017 423 H GLY 59 H GLY 59 -5.370 7.084 -8.466 424 HA2 GLY 59 1HA GLY 59 -4.280 8.144 -10.383 425 HA3 GLY 59 2HA GLY 59 -5.527 9.380 -10.319 426 H ASP 60 H ASP 60 -4.395 8.353 -7.275 427 HA ASP 60 HA ASP 60 -2.717 10.768 -7.081 428 HB2 ASP 60 1HB ASP 60 -4.710 9.562 -5.217 429 HB3 ASP 60 2HB ASP 60 -3.318 10.390 -4.524 430 H ASP 61 H ASP 61 -0.704 10.609 -6.222 431 HA ASP 61 HA ASP 61 0.562 8.080 -6.195 432 HB2 ASP 61 1HB ASP 61 1.410 10.855 -5.420 433 HB3 ASP 61 2HB ASP 61 2.459 9.479 -5.088 434 H VAL 62 H VAL 62 1.319 6.821 -4.516 435 HA VAL 62 HA VAL 62 0.905 7.601 -1.768 436 HB VAL 62 HB VAL 62 -0.414 5.374 -1.402 437 HG11 VAL 62 1HG1 VAL 62 -1.118 8.065 -1.603 438 HG12 VAL 62 2HG1 VAL 62 -2.357 7.194 -2.508 439 HG13 VAL 62 3HG1 VAL 62 -2.038 6.778 -0.823 440 HG21 VAL 62 3HG2 VAL 62 -0.430 4.448 -3.564 441 HG22 VAL 62 1HG2 VAL 62 -2.060 5.075 -3.322 442 HG23 VAL 62 2HG2 VAL 62 -0.906 5.976 -4.305 443 H GLU 63 H GLU 63 2.148 6.434 -0.350 444 HA GLU 63 HA GLU 63 4.043 4.574 -1.577 445 HB2 GLU 63 1HB GLU 63 4.783 6.589 -0.208 446 HB3 GLU 63 2HB GLU 63 4.184 5.729 1.204 447 HG2 GLU 63 1HG GLU 63 5.727 3.813 0.300 448 HG3 GLU 63 2HG GLU 63 6.540 5.148 -0.515 449 H PHE 64 H PHE 64 4.157 2.464 -1.071 450 HA PHE 64 HA PHE 64 2.740 1.459 1.276 451 HB2 PHE 64 1HB PHE 64 1.739 -0.377 -0.170 452 HB3 PHE 64 2HB PHE 64 1.025 1.222 -0.349 453 HD1 PHE 64 1HD PHE 64 1.372 2.521 -2.372 454 HD2 PHE 64 2HD PHE 64 3.002 -1.388 -1.948 455 HE1 PHE 64 1HE PHE 64 1.775 2.429 -4.798 456 HE2 PHE 64 2HE PHE 64 3.408 -1.486 -4.373 457 HZ PHE 64 HZ PHE 64 2.795 0.425 -5.801 458 H GLU 65 H GLU 65 3.074 -1.071 1.315 459 HA GLU 65 HA GLU 65 5.874 -1.611 0.571 460 HB2 GLU 65 1HB GLU 65 6.035 -1.405 2.875 461 HB3 GLU 65 2HB GLU 65 4.428 -2.062 3.150 462 HG2 GLU 65 1HG GLU 65 6.014 -3.651 3.925 463 HG3 GLU 65 2HG GLU 65 5.287 -4.288 2.452 464 H VAL 66 H VAL 66 6.164 -3.339 -0.668 465 HA VAL 66 HA VAL 66 3.939 -5.036 -1.337 466 HB VAL 66 HB VAL 66 6.823 -5.084 -2.230 467 HG11 VAL 66 1HG1 VAL 66 4.535 -6.644 -3.414 468 HG12 VAL 66 2HG1 VAL 66 6.244 -6.738 -3.841 469 HG13 VAL 66 3HG1 VAL 66 5.693 -7.326 -2.272 470 HG21 VAL 66 3HG2 VAL 66 5.029 -4.561 -4.342 471 HG22 VAL 66 1HG2 VAL 66 4.552 -3.527 -2.995 472 HG23 VAL 66 2HG2 VAL 66 6.202 -3.462 -3.615 473 H SER 67 H SER 67 3.390 -6.828 -0.302 474 HA SER 67 HA SER 67 5.489 -8.392 1.040 475 HB2 SER 67 1HB SER 67 3.854 -6.931 2.523 476 HB3 SER 67 2HB SER 67 2.754 -8.280 2.242 477 HG SER 67 HG SER 67 5.365 -8.868 3.033 478 H SER 68 H SER 68 4.748 -10.648 1.543 479 HA SER 68 HA SER 68 3.179 -11.661 -0.727 480 HB2 SER 68 1HB SER 68 4.335 -13.823 -0.287 481 HB3 SER 68 2HB SER 68 5.453 -12.512 -0.665 482 HG SER 68 HG SER 68 6.214 -12.571 1.319 483 H ASP 69 H ASP 69 1.125 -12.006 -0.193 484 HA ASP 69 HA ASP 69 0.007 -12.251 2.297 485 HB2 ASP 69 1HB ASP 69 -1.187 -12.019 0.068 486 HB3 ASP 69 2HB ASP 69 -1.016 -13.764 -0.107 487 H ARG 70 H ARG 70 -1.253 -14.338 3.003 488 HA ARG 70 HA ARG 70 0.714 -16.530 3.104 489 HB2 ARG 70 1HB ARG 70 -1.133 -15.394 5.173 490 HB3 ARG 70 2HB ARG 70 -0.632 -17.076 5.282 491 HG2 ARG 70 1HG ARG 70 0.756 -15.550 6.633 492 HG3 ARG 70 2HG ARG 70 1.679 -16.437 5.418 493 HD2 ARG 70 1HD ARG 70 2.193 -13.960 5.676 494 HD3 ARG 70 2HD ARG 70 1.888 -14.545 4.042 495 HE ARG 70 HE ARG 70 -0.056 -13.304 3.979 496 HH11 ARG 70 2HH1 ARG 70 1.266 -13.305 7.200 497 HH12 ARG 70 1HH1 ARG 70 0.216 -12.051 7.772 498 HH21 ARG 70 1HH2 ARG 70 -1.325 -11.112 6.361 499 HH22 ARG 70 2HH2 ARG 70 -1.443 -11.652 4.720 500 H ARG 71 H ARG 71 -2.431 -15.622 2.182 501 HA ARG 71 HA ARG 71 -3.423 -18.372 2.190 502 HB2 ARG 71 1HB ARG 71 -4.834 -15.821 1.388 503 HB3 ARG 71 2HB ARG 71 -5.576 -17.405 1.568 504 HG2 ARG 71 1HG ARG 71 -4.223 -15.943 3.820 505 HG3 ARG 71 2HG ARG 71 -5.948 -15.824 3.469 506 HD2 ARG 71 1HD ARG 71 -6.284 -18.131 3.909 507 HD3 ARG 71 2HD ARG 71 -4.549 -18.445 3.943 508 HE ARG 71 HE ARG 71 -5.355 -16.565 5.937 509 HH11 ARG 71 2HH1 ARG 71 -5.173 -19.956 5.174 510 HH12 ARG 71 1HH1 ARG 71 -5.113 -20.459 6.831 511 HH21 ARG 71 1HH2 ARG 71 -5.172 -18.899 8.507 512 HH22 ARG 71 2HH2 ARG 71 -5.276 -17.214 8.122 513 H THR 72 H THR 72 -2.674 -15.734 -0.042 514 HA THR 72 HA THR 72 -2.954 -17.621 -2.286 515 HB THR 72 HB THR 72 -3.235 -15.722 -3.758 516 HG1 THR 72 1HG THR 72 -2.529 -13.825 -3.163 517 HG21 THR 72 3HG2 THR 72 -4.954 -15.636 -1.284 518 HG22 THR 72 1HG2 THR 72 -5.285 -16.459 -2.808 519 HG23 THR 72 2HG2 THR 72 -5.308 -14.697 -2.735 520 H GLY 73 H GLY 73 -0.750 -15.678 -0.499 521 HA2 GLY 73 1HA GLY 73 1.539 -15.499 -0.616 522 HA3 GLY 73 2HA GLY 73 1.508 -16.800 -1.796 523 H LYS 74 H LYS 74 -0.455 -14.142 -2.601 524 HA LYS 74 HA LYS 74 1.350 -13.442 -4.768 525 HB2 LYS 74 1HB LYS 74 -1.415 -12.377 -4.169 526 HB3 LYS 74 2HB LYS 74 -0.517 -12.175 -5.668 527 HG2 LYS 74 1HG LYS 74 -1.095 -14.930 -4.702 528 HG3 LYS 74 2HG LYS 74 -2.390 -13.991 -5.448 529 HD2 LYS 74 1HD LYS 74 -1.129 -13.732 -7.466 530 HD3 LYS 74 2HD LYS 74 0.308 -14.435 -6.720 531 HE2 LYS 74 1HE LYS 74 -1.322 -16.475 -6.332 532 HE3 LYS 74 2HE LYS 74 -2.173 -15.757 -7.699 533 HZ1 LYS 74 3HZ LYS 74 0.201 -17.297 -7.693 534 HZ2 LYS 74 1HZ LYS 74 0.503 -15.782 -8.384 535 HZ3 LYS 74 2HZ LYS 74 -0.721 -16.769 -9.008 536 HA PRO 75 HA PRO 75 2.956 -9.757 -2.999 537 HB2 PRO 75 2HB PRO 75 4.312 -9.609 -4.849 538 HB3 PRO 75 1HB PRO 75 3.277 -8.224 -5.217 539 HG2 PRO 75 1HG PRO 75 1.974 -9.433 -6.711 540 HG3 PRO 75 2HG PRO 75 3.541 -10.228 -6.954 541 HD2 PRO 75 1HD PRO 75 1.305 -11.594 -6.270 542 HD3 PRO 75 2HD PRO 75 2.926 -12.090 -5.743 543 H ILE 76 H ILE 76 1.454 -8.755 -1.738 544 HA ILE 76 HA ILE 76 -0.447 -6.956 -3.096 545 HB ILE 76 HB ILE 76 -1.907 -7.148 -1.136 546 HG12 ILE 76 1HG1 ILE 76 -0.327 -9.476 -0.129 547 HG13 ILE 76 2HG1 ILE 76 0.197 -7.853 0.306 548 HG21 ILE 76 1HG2 ILE 76 -2.512 -9.594 -1.448 549 HG22 ILE 76 2HG2 ILE 76 -2.465 -8.599 -2.902 550 HG23 ILE 76 3HG2 ILE 76 -1.128 -9.689 -2.538 551 HD11 ILE 76 3HD1 ILE 76 -1.407 -7.650 1.823 552 HD12 ILE 76 1HD1 ILE 76 -2.646 -8.221 0.705 553 HD13 ILE 76 2HD1 ILE 76 -1.680 -9.381 1.619 554 H ALA 77 H ALA 77 -0.978 -4.974 -1.942 555 HA ALA 77 HA ALA 77 1.400 -3.803 -0.758 556 HB1 ALA 77 3HB ALA 77 -0.666 -2.848 -2.391 557 HB2 ALA 77 1HB ALA 77 -0.835 -2.004 -0.852 558 HB3 ALA 77 2HB ALA 77 0.693 -1.938 -1.731 559 H VAL 78 H VAL 78 1.451 -2.744 1.254 560 HA VAL 78 HA VAL 78 -0.806 -3.085 3.062 561 HB VAL 78 HB VAL 78 0.631 -4.094 4.825 562 HG11 VAL 78 1HG1 VAL 78 0.623 -6.382 3.865 563 HG12 VAL 78 2HG1 VAL 78 -0.888 -5.509 3.606 564 HG13 VAL 78 3HG1 VAL 78 0.270 -5.681 2.286 565 HG21 VAL 78 3HG2 VAL 78 2.595 -5.288 3.125 566 HG22 VAL 78 1HG2 VAL 78 2.683 -3.532 2.975 567 HG23 VAL 78 2HG2 VAL 78 2.828 -4.290 4.561 568 H LYS 79 H LYS 79 -0.503 -1.935 5.110 569 HA LYS 79 HA LYS 79 -0.135 0.062 6.159 570 HB2 LYS 79 1HB LYS 79 2.745 -0.344 5.368 571 HB3 LYS 79 2HB LYS 79 2.118 0.442 6.811 572 HG2 LYS 79 1HG LYS 79 1.668 -2.472 6.253 573 HG3 LYS 79 2HG LYS 79 3.101 -1.876 7.094 574 HD2 LYS 79 1HD LYS 79 1.756 -2.276 8.893 575 HD3 LYS 79 2HD LYS 79 1.270 -0.616 8.540 576 HE2 LYS 79 1HE LYS 79 -0.497 -1.772 7.001 577 HE3 LYS 79 2HE LYS 79 -0.182 -3.175 8.021 578 HZ1 LYS 79 3HZ LYS 79 -1.563 -0.707 8.648 579 HZ2 LYS 79 1HZ LYS 79 -0.522 -1.271 9.857 580 HZ3 LYS 79 2HZ LYS 79 -1.772 -2.258 9.288 581 H LEU 80 H LEU 80 -1.104 0.579 3.708 582 HA LEU 80 HA LEU 80 0.477 2.163 2.016 583 HB2 LEU 80 1HB LEU 80 -2.086 1.207 1.982 584 HB3 LEU 80 2HB LEU 80 -2.339 2.939 2.188 585 HG LEU 80 HG LEU 80 -0.577 2.947 0.140 586 HD11 LEU 80 1HD1 LEU 80 -0.742 1.162 -1.267 587 HD12 LEU 80 2HD1 LEU 80 -2.337 0.698 -0.676 588 HD13 LEU 80 3HD1 LEU 80 -0.901 0.330 0.280 589 HD21 LEU 80 3HD2 LEU 80 -2.977 3.911 0.482 590 HD22 LEU 80 1HD2 LEU 80 -3.466 2.512 -0.475 591 HD23 LEU 80 2HD2 LEU 80 -2.337 3.689 -1.147 592 H VAL 81 H VAL 81 0.639 4.414 1.775 593 HA VAL 81 HA VAL 81 -0.457 6.159 3.808 594 HB VAL 81 HB VAL 81 1.706 7.073 4.510 595 HG11 VAL 81 1HG1 VAL 81 2.301 5.350 6.039 596 HG12 VAL 81 2HG1 VAL 81 0.564 5.213 5.757 597 HG13 VAL 81 3HG1 VAL 81 1.678 4.096 4.966 598 HG21 VAL 81 3HG2 VAL 81 3.762 5.692 4.018 599 HG22 VAL 81 1HG2 VAL 81 2.813 4.880 2.772 600 HG23 VAL 81 2HG2 VAL 81 3.116 6.614 2.661 601 H LYS 82 H LYS 82 -0.975 8.037 2.901 602 HA LYS 82 HA LYS 82 -0.428 8.598 0.191 603 HB2 LYS 82 1HB LYS 82 -2.337 9.431 1.811 604 HB3 LYS 82 2HB LYS 82 -1.228 10.769 2.085 605 HG2 LYS 82 1HG LYS 82 -1.448 11.571 -0.048 606 HG3 LYS 82 2HG LYS 82 -1.871 9.993 -0.715 607 HD2 LYS 82 1HD LYS 82 -4.078 10.180 -0.115 608 HD3 LYS 82 2HD LYS 82 -3.729 11.256 1.241 609 HE2 LYS 82 1HE LYS 82 -3.257 12.166 -1.570 610 HE3 LYS 82 2HE LYS 82 -4.884 12.196 -0.891 611 HZ1 LYS 82 3HZ LYS 82 -3.316 13.341 1.033 612 HZ2 LYS 82 1HZ LYS 82 -4.331 14.159 -0.046 613 HZ3 LYS 82 2HZ LYS 82 -2.692 13.959 -0.413 614 H ILE 83 H ILE 83 1.312 9.454 -0.724 615 HA ILE 83 HA ILE 83 3.581 10.255 0.739 616 HB ILE 83 HB ILE 83 3.156 11.143 -2.088 617 HG12 ILE 83 1HG1 ILE 83 3.403 8.326 -1.080 618 HG13 ILE 83 2HG1 ILE 83 2.340 8.966 -2.328 619 HG21 ILE 83 1HG2 ILE 83 5.271 11.379 -0.474 620 HG22 ILE 83 2HG2 ILE 83 5.608 9.786 -1.148 621 HG23 ILE 83 3HG2 ILE 83 5.418 11.173 -2.219 622 HD11 ILE 83 3HD1 ILE 83 5.227 8.235 -2.495 623 HD12 ILE 83 1HD1 ILE 83 3.886 7.762 -3.537 624 HD13 ILE 83 2HD1 ILE 83 4.535 9.400 -3.624 625 H SER 84 H SER 84 1.170 12.146 -1.064 626 HA SER 84 HA SER 84 2.308 14.620 -0.009 627 HB2 SER 84 1HB SER 84 0.966 15.772 -1.617 628 HB3 SER 84 2HB SER 84 1.646 14.370 -2.443 629 HG SER 84 HG SER 84 -0.984 14.914 -1.721 630 H GLY 85 H GLY 85 1.575 15.443 1.829 631 HA2 GLY 85 1HA GLY 85 -1.275 15.447 2.394 632 HA3 GLY 85 2HA GLY 85 -0.286 14.537 3.526 633 HA PRO 86 HA PRO 86 0.808 19.277 3.828 634 HB2 PRO 86 2HB PRO 86 0.004 20.400 1.992 635 HB3 PRO 86 1HB PRO 86 -1.248 20.907 3.133 636 HG2 PRO 86 1HG PRO 86 -2.760 19.315 2.376 637 HG3 PRO 86 2HG PRO 86 -1.892 19.659 0.868 638 HD2 PRO 86 1HD PRO 86 -2.114 17.159 1.885 639 HD3 PRO 86 2HD PRO 86 -0.693 17.692 0.963 640 H SER 87 H SER 87 0.743 19.510 5.969 641 HA SER 87 HA SER 87 -1.783 19.144 7.394 642 HB2 SER 87 1HB SER 87 -0.401 19.059 9.422 643 HB3 SER 87 2HB SER 87 0.189 17.917 8.214 644 HG SER 87 HG SER 87 1.940 19.028 9.026 645 H SER 88 H SER 88 -1.647 20.640 9.563 646 HA SER 88 HA SER 88 -2.088 23.304 8.552 647 HB2 SER 88 1HB SER 88 -2.497 21.955 11.206 648 HB3 SER 88 2HB SER 88 -2.599 23.711 11.073 649 HG SER 88 HG SER 88 -4.095 23.114 9.207 650 H GLY 89 H GLY 89 -1.334 25.113 10.236 651 HA2 GLY 89 1HA GLY 89 1.383 25.513 9.833 652 HA3 GLY 89 2HA GLY 89 0.421 26.355 11.039 Start of MODEL 10 1 H1 GLY 1 H GLY 1 25.321 -27.354 18.684 2 HA2 GLY 1 1HA GLY 1 24.144 -25.290 20.133 3 HA3 GLY 1 2HA GLY 1 25.868 -25.221 20.467 4 H SER 2 H SER 2 24.854 -23.055 19.329 5 HA SER 2 HA SER 2 25.261 -23.279 16.437 6 HB2 SER 2 1HB SER 2 24.387 -20.930 16.393 7 HB3 SER 2 2HB SER 2 23.248 -22.100 17.058 8 HG SER 2 HG SER 2 23.319 -21.090 18.896 9 H SER 3 H SER 3 27.500 -23.474 16.349 10 HA SER 3 HA SER 3 29.450 -22.142 17.691 11 HB2 SER 3 1HB SER 3 29.549 -23.843 15.671 12 HB3 SER 3 2HB SER 3 29.774 -22.371 14.726 13 HG SER 3 HG SER 3 31.622 -21.935 15.846 14 H GLY 4 H GLY 4 27.872 -20.966 14.717 15 HA2 GLY 4 1HA GLY 4 27.175 -18.634 14.618 16 HA3 GLY 4 2HA GLY 4 28.611 -18.231 15.548 17 H SER 5 H SER 5 27.342 -18.995 12.407 18 HA SER 5 HA SER 5 29.986 -18.607 11.195 19 HB2 SER 5 1HB SER 5 28.970 -19.498 9.137 20 HB3 SER 5 2HB SER 5 28.763 -20.615 10.486 21 HG SER 5 HG SER 5 26.653 -19.235 10.653 22 H SER 6 H SER 6 30.155 -16.370 11.380 23 HA SER 6 HA SER 6 28.223 -14.824 9.778 24 HB2 SER 6 1HB SER 6 28.564 -14.389 12.356 25 HB3 SER 6 2HB SER 6 29.991 -13.511 11.807 26 HG SER 6 HG SER 6 27.292 -13.048 11.068 27 H GLY 7 H GLY 7 29.055 -13.079 8.504 28 HA2 GLY 7 1HA GLY 7 30.767 -11.879 7.419 29 HA3 GLY 7 2HA GLY 7 31.944 -13.005 8.080 30 H GLY 8 H GLY 8 29.053 -13.269 5.998 31 HA2 GLY 8 1HA GLY 8 30.270 -13.841 3.608 32 HA3 GLY 8 2HA GLY 8 30.234 -15.378 4.459 33 H TYR 9 H TYR 9 28.894 -16.021 2.604 34 HA TYR 9 HA TYR 9 26.378 -14.913 2.062 35 HB2 TYR 9 1HB TYR 9 26.078 -16.674 0.620 36 HB3 TYR 9 2HB TYR 9 27.824 -16.758 0.823 37 HD1 TYR 9 2HD TYR 9 24.617 -18.318 1.708 38 HD2 TYR 9 1HD TYR 9 28.853 -18.591 1.998 39 HE1 TYR 9 2HE TYR 9 24.408 -20.644 2.480 40 HE2 TYR 9 1HE TYR 9 28.656 -20.918 2.770 41 HH TYR 9 HH TYR 9 25.613 -22.315 3.637 42 HA PRO 10 HA PRO 10 24.365 -15.933 1.292 43 HB2 PRO 10 2HB PRO 10 22.212 -16.564 1.787 44 HB3 PRO 10 1HB PRO 10 21.983 -14.821 1.971 45 HG2 PRO 10 1HG PRO 10 22.163 -14.913 4.284 46 HG3 PRO 10 2HG PRO 10 21.411 -16.488 3.969 47 HD2 PRO 10 1HD PRO 10 23.737 -16.230 5.331 48 HD3 PRO 10 2HD PRO 10 23.380 -17.637 4.308 49 H ASN 11 H ASN 11 24.983 -14.124 0.293 50 HA ASN 11 HA ASN 11 25.972 -11.879 1.619 51 HB2 ASN 11 1HB ASN 11 26.527 -12.560 -0.725 52 HB3 ASN 11 2HB ASN 11 24.949 -11.962 -1.226 53 HD21 ASN 11 2HD2 ASN 11 27.997 -9.407 -0.401 54 HD22 ASN 11 1HD2 ASN 11 28.090 -11.084 0.004 55 H GLY 12 H GLY 12 24.621 -10.870 3.034 56 HA2 GLY 12 1HA GLY 12 22.954 -9.466 3.752 57 HA3 GLY 12 2HA GLY 12 22.819 -8.947 2.078 58 H THR 13 H THR 13 20.813 -9.553 4.260 59 HA THR 13 HA THR 13 19.307 -11.741 3.041 60 HB THR 13 HB THR 13 18.590 -10.132 5.498 61 HG1 THR 13 1HG THR 13 19.381 -12.176 6.522 62 HG21 THR 13 3HG2 THR 13 17.024 -11.821 4.011 63 HG22 THR 13 1HG2 THR 13 16.784 -11.450 5.718 64 HG23 THR 13 2HG2 THR 13 17.672 -12.899 5.247 65 H SER 14 H SER 14 17.919 -11.300 1.471 66 HA SER 14 HA SER 14 17.217 -8.965 0.361 67 HB2 SER 14 1HB SER 14 15.337 -11.300 0.791 68 HB3 SER 14 2HB SER 14 15.099 -10.012 -0.390 69 HG SER 14 HG SER 14 17.367 -10.732 -1.061 70 H ALA 15 H ALA 15 16.737 -7.150 1.439 71 HA ALA 15 HA ALA 15 14.725 -7.245 3.572 72 HB1 ALA 15 3HB ALA 15 17.034 -6.159 3.865 73 HB2 ALA 15 1HB ALA 15 16.383 -4.843 2.889 74 HB3 ALA 15 2HB ALA 15 15.618 -5.267 4.421 75 H ALA 16 H ALA 16 12.771 -6.319 3.369 76 HA ALA 16 HA ALA 16 11.915 -5.432 0.782 77 HB1 ALA 16 3HB ALA 16 10.444 -6.752 2.210 78 HB2 ALA 16 1HB ALA 16 10.435 -5.460 3.410 79 HB3 ALA 16 2HB ALA 16 9.716 -5.193 1.821 80 H LEU 17 H LEU 17 10.694 -3.390 0.479 81 HA LEU 17 HA LEU 17 11.430 -1.191 2.229 82 HB2 LEU 17 1HB LEU 17 12.502 0.115 0.556 83 HB3 LEU 17 2HB LEU 17 13.302 -1.455 0.611 84 HG LEU 17 HG LEU 17 13.175 -0.983 -1.659 85 HD11 LEU 17 1HD1 LEU 17 11.838 -2.668 -2.559 86 HD12 LEU 17 2HD1 LEU 17 10.589 -2.464 -1.331 87 HD13 LEU 17 3HD1 LEU 17 12.134 -3.200 -0.904 88 HD21 LEU 17 3HD2 LEU 17 11.887 0.719 -2.286 89 HD22 LEU 17 1HD2 LEU 17 10.834 0.529 -0.884 90 HD23 LEU 17 2HD2 LEU 17 10.542 -0.422 -2.340 91 H ARG 18 H ARG 18 10.339 0.837 1.622 92 HA ARG 18 HA ARG 18 7.628 0.309 0.836 93 HB2 ARG 18 1HB ARG 18 8.953 2.959 1.437 94 HB3 ARG 18 2HB ARG 18 7.224 2.648 1.368 95 HG2 ARG 18 1HG ARG 18 9.096 1.354 3.337 96 HG3 ARG 18 2HG ARG 18 8.142 2.802 3.667 97 HD2 ARG 18 1HD ARG 18 6.751 0.382 2.632 98 HD3 ARG 18 2HD ARG 18 7.271 0.398 4.317 99 HE ARG 18 HE ARG 18 5.164 1.981 3.124 100 HH11 ARG 18 2HH1 ARG 18 7.312 1.551 5.830 101 HH12 ARG 18 1HH1 ARG 18 6.327 2.464 6.925 102 HH21 ARG 18 1HH2 ARG 18 4.362 3.393 6.198 103 HH22 ARG 18 2HH2 ARG 18 3.858 3.185 4.555 104 H GLU 19 H GLU 19 6.876 0.346 -1.169 105 HA GLU 19 HA GLU 19 8.431 1.727 -3.239 106 HB2 GLU 19 1HB GLU 19 6.223 -0.305 -3.593 107 HB3 GLU 19 2HB GLU 19 7.289 0.317 -4.844 108 HG2 GLU 19 1HG GLU 19 8.521 -1.016 -2.497 109 HG3 GLU 19 2HG GLU 19 7.700 -2.018 -3.693 110 H THR 20 H THR 20 7.350 2.991 -4.841 111 HA THR 20 HA THR 20 4.807 4.143 -3.892 112 HB THR 20 HB THR 20 5.451 6.281 -4.754 113 HG1 THR 20 1HG THR 20 7.962 5.261 -5.571 114 HG21 THR 20 3HG2 THR 20 7.184 4.866 -2.872 115 HG22 THR 20 1HG2 THR 20 6.431 6.454 -2.741 116 HG23 THR 20 2HG2 THR 20 7.950 6.268 -3.618 117 H GLY 21 H GLY 21 3.177 4.492 -5.355 118 HA2 GLY 21 1HA GLY 21 3.676 4.011 -8.190 119 HA3 GLY 21 2HA GLY 21 2.588 2.892 -7.382 120 H VAL 22 H VAL 22 0.660 3.384 -8.264 121 HA VAL 22 HA VAL 22 -0.488 5.967 -7.595 122 HB VAL 22 HB VAL 22 0.580 6.070 -9.948 123 HG11 VAL 22 1HG1 VAL 22 -0.273 4.874 -11.652 124 HG12 VAL 22 2HG1 VAL 22 -0.812 3.786 -10.371 125 HG13 VAL 22 3HG1 VAL 22 -1.923 4.982 -11.040 126 HG21 VAL 22 3HG2 VAL 22 -1.469 7.328 -10.806 127 HG22 VAL 22 1HG2 VAL 22 -2.245 6.855 -9.294 128 HG23 VAL 22 2HG2 VAL 22 -0.790 7.852 -9.264 129 H ILE 23 H ILE 23 -2.718 5.937 -7.424 130 HA ILE 23 HA ILE 23 -3.901 3.344 -7.083 131 HB ILE 23 HB ILE 23 -5.124 6.096 -6.859 132 HG12 ILE 23 1HG1 ILE 23 -3.260 5.401 -5.248 133 HG13 ILE 23 2HG1 ILE 23 -4.773 5.941 -4.529 134 HG21 ILE 23 1HG2 ILE 23 -7.036 5.106 -5.892 135 HG22 ILE 23 2HG2 ILE 23 -6.709 4.189 -7.361 136 HG23 ILE 23 3HG2 ILE 23 -6.260 3.526 -5.790 137 HD11 ILE 23 3HD1 ILE 23 -3.525 3.783 -3.690 138 HD12 ILE 23 1HD1 ILE 23 -5.285 3.876 -3.728 139 HD13 ILE 23 2HD1 ILE 23 -4.418 3.038 -5.015 140 H GLU 24 H GLU 24 -4.074 2.359 -9.075 141 HA GLU 24 HA GLU 24 -5.129 3.624 -11.383 142 HB2 GLU 24 1HB GLU 24 -3.669 1.560 -11.330 143 HB3 GLU 24 2HB GLU 24 -5.091 0.659 -10.824 144 HG2 GLU 24 1HG GLU 24 -4.562 0.546 -13.263 145 HG3 GLU 24 2HG GLU 24 -6.198 1.071 -12.871 146 H LYS 25 H LYS 25 -6.545 1.592 -8.865 147 HA LYS 25 HA LYS 25 -9.194 2.531 -9.661 148 HB2 LYS 25 1HB LYS 25 -8.458 0.125 -10.566 149 HB3 LYS 25 2HB LYS 25 -8.991 -0.353 -8.960 150 HG2 LYS 25 1HG LYS 25 -10.799 1.389 -10.532 151 HG3 LYS 25 2HG LYS 25 -10.625 -0.291 -11.047 152 HD2 LYS 25 1HD LYS 25 -11.528 -1.121 -9.089 153 HD3 LYS 25 2HD LYS 25 -11.120 0.327 -8.165 154 HE2 LYS 25 1HE LYS 25 -13.462 0.377 -8.437 155 HE3 LYS 25 2HE LYS 25 -12.820 1.548 -9.588 156 HZ1 LYS 25 3HZ LYS 25 -14.559 0.130 -10.544 157 HZ2 LYS 25 1HZ LYS 25 -13.600 -1.236 -10.266 158 HZ3 LYS 25 2HZ LYS 25 -13.083 -0.046 -11.351 159 H LEU 26 H LEU 26 -10.795 2.320 -7.993 160 HA LEU 26 HA LEU 26 -9.864 1.548 -5.343 161 HB2 LEU 26 1HB LEU 26 -9.380 4.029 -5.835 162 HB3 LEU 26 2HB LEU 26 -11.125 4.244 -5.705 163 HG LEU 26 HG LEU 26 -10.724 3.021 -3.383 164 HD11 LEU 26 1HD1 LEU 26 -8.409 2.610 -3.514 165 HD12 LEU 26 2HD1 LEU 26 -8.586 3.982 -2.421 166 HD13 LEU 26 3HD1 LEU 26 -8.070 4.243 -4.087 167 HD21 LEU 26 3HD2 LEU 26 -11.612 5.359 -3.958 168 HD22 LEU 26 1HD2 LEU 26 -9.974 5.916 -3.614 169 HD23 LEU 26 2HD2 LEU 26 -10.913 5.109 -2.358 170 H LEU 27 H LEU 27 -11.459 0.753 -4.074 171 HA LEU 27 HA LEU 27 -14.235 1.090 -4.995 172 HB2 LEU 27 1HB LEU 27 -13.000 -1.447 -3.934 173 HB3 LEU 27 2HB LEU 27 -14.685 -1.232 -4.403 174 HG LEU 27 HG LEU 27 -13.657 -0.644 -6.735 175 HD11 LEU 27 1HD1 LEU 27 -11.333 -0.631 -5.982 176 HD12 LEU 27 2HD1 LEU 27 -11.606 -1.869 -7.208 177 HD13 LEU 27 3HD1 LEU 27 -11.474 -2.325 -5.510 178 HD21 LEU 27 3HD2 LEU 27 -14.888 -2.487 -7.011 179 HD22 LEU 27 1HD2 LEU 27 -14.412 -3.146 -5.446 180 HD23 LEU 27 2HD2 LEU 27 -13.371 -3.373 -6.851 181 H THR 28 H THR 28 -15.638 -0.124 -3.093 182 HA THR 28 HA THR 28 -15.263 1.606 -0.816 183 HB THR 28 HB THR 28 -17.371 -0.470 -1.432 184 HG1 THR 28 1HG THR 28 -17.340 2.380 -1.463 185 HG21 THR 28 3HG2 THR 28 -18.607 0.546 0.481 186 HG22 THR 28 1HG2 THR 28 -17.137 1.418 0.912 187 HG23 THR 28 2HG2 THR 28 -17.163 -0.345 0.963 188 H SER 29 H SER 29 -14.532 -1.655 -1.647 189 HA SER 29 HA SER 29 -14.106 -2.389 1.158 190 HB2 SER 29 1HB SER 29 -14.315 -3.965 -1.393 191 HB3 SER 29 2HB SER 29 -13.568 -4.675 0.038 192 HG SER 29 HG SER 29 -16.048 -4.748 -0.439 193 H TYR 30 H TYR 30 -12.398 -2.061 -1.914 194 HA TYR 30 HA TYR 30 -9.928 -1.529 -0.545 195 HB2 TYR 30 1HB TYR 30 -8.757 -3.382 -1.945 196 HB3 TYR 30 2HB TYR 30 -9.561 -3.826 -0.444 197 HD1 TYR 30 1HD TYR 30 -11.205 -3.091 -3.685 198 HD2 TYR 30 2HD TYR 30 -10.080 -6.085 -0.879 199 HE1 TYR 30 1HE TYR 30 -12.565 -4.737 -4.906 200 HE2 TYR 30 2HE TYR 30 -11.435 -7.740 -2.093 201 HH TYR 30 HH TYR 30 -12.365 -7.556 -5.033 202 H GLY 31 H GLY 31 -8.094 -1.623 -2.446 203 HA2 GLY 31 1HA GLY 31 -9.185 -0.564 -4.937 204 HA3 GLY 31 2HA GLY 31 -8.224 0.544 -3.969 205 H PHE 32 H PHE 32 -7.524 -0.155 -6.570 206 HA PHE 32 HA PHE 32 -5.247 -1.980 -6.204 207 HB2 PHE 32 1HB PHE 32 -6.568 -1.024 -8.753 208 HB3 PHE 32 2HB PHE 32 -5.202 -2.131 -8.669 209 HD1 PHE 32 2HD PHE 32 -8.727 -1.745 -7.554 210 HD2 PHE 32 1HD PHE 32 -5.565 -4.415 -8.551 211 HE1 PHE 32 2HE PHE 32 -10.283 -3.644 -7.391 212 HE2 PHE 32 1HE PHE 32 -7.116 -6.318 -8.390 213 HZ PHE 32 HZ PHE 32 -9.479 -5.934 -7.808 214 H ILE 33 H ILE 33 -3.173 -1.355 -6.750 215 HA ILE 33 HA ILE 33 -2.800 1.500 -7.375 216 HB ILE 33 HB ILE 33 -1.216 -0.174 -5.426 217 HG12 ILE 33 1HG1 ILE 33 -2.505 2.463 -4.825 218 HG13 ILE 33 2HG1 ILE 33 -3.492 1.005 -4.848 219 HG21 ILE 33 1HG2 ILE 33 0.531 1.080 -6.018 220 HG22 ILE 33 2HG2 ILE 33 -0.472 2.178 -6.964 221 HG23 ILE 33 3HG2 ILE 33 -0.303 2.416 -5.225 222 HD11 ILE 33 3HD1 ILE 33 -1.404 0.225 -3.296 223 HD12 ILE 33 1HD1 ILE 33 -1.546 1.932 -2.878 224 HD13 ILE 33 2HD1 ILE 33 -2.935 0.860 -2.694 225 H GLN 34 H GLN 34 -1.993 1.614 -9.364 226 HA GLN 34 HA GLN 34 -0.448 -0.520 -10.513 227 HB2 GLN 34 1HB GLN 34 -1.962 0.688 -11.944 228 HB3 GLN 34 2HB GLN 34 -1.200 2.220 -11.536 229 HG2 GLN 34 1HG GLN 34 -0.163 1.895 -13.501 230 HG3 GLN 34 2HG GLN 34 0.926 0.925 -12.511 231 HE21 GLN 34 2HE2 GLN 34 -0.076 -2.160 -13.848 232 HE22 GLN 34 1HE2 GLN 34 0.662 -1.358 -12.508 233 H CYS 35 H CYS 35 1.483 -0.728 -9.456 234 HA CYS 35 HA CYS 35 3.149 1.189 -8.448 235 HB2 CYS 35 1HB CYS 35 4.182 -1.220 -9.944 236 HB3 CYS 35 2HB CYS 35 4.928 -0.397 -8.579 237 HG CYS 35 HG CYS 35 2.683 -2.845 -8.606 238 H SER 36 H SER 36 4.649 2.601 -9.201 239 HA SER 36 HA SER 36 4.670 3.045 -12.096 240 HB2 SER 36 1HB SER 36 5.383 4.804 -9.749 241 HB3 SER 36 2HB SER 36 5.750 5.254 -11.414 242 HG SER 36 HG SER 36 3.435 4.906 -11.803 243 H GLU 37 H GLU 37 6.558 1.668 -9.683 244 HA GLU 37 HA GLU 37 9.088 2.230 -11.040 245 HB2 GLU 37 1HB GLU 37 8.641 0.639 -8.511 246 HB3 GLU 37 2HB GLU 37 10.170 1.259 -9.119 247 HG2 GLU 37 1HG GLU 37 8.908 3.567 -8.924 248 HG3 GLU 37 2HG GLU 37 7.961 2.674 -7.735 249 H ARG 38 H ARG 38 7.030 -0.497 -10.099 250 HA ARG 38 HA ARG 38 8.673 -2.296 -11.725 251 HB2 ARG 38 1HB ARG 38 7.442 -4.109 -10.658 252 HB3 ARG 38 2HB ARG 38 8.110 -3.025 -9.446 253 HG2 ARG 38 1HG ARG 38 5.972 -2.035 -9.052 254 HG3 ARG 38 2HG ARG 38 5.264 -2.907 -10.413 255 HD2 ARG 38 1HD ARG 38 4.635 -3.996 -8.358 256 HD3 ARG 38 2HD ARG 38 5.746 -5.034 -9.250 257 HE ARG 38 HE ARG 38 7.073 -3.370 -7.336 258 HH11 ARG 38 2HH1 ARG 38 5.312 -6.341 -7.770 259 HH12 ARG 38 1HH1 ARG 38 6.019 -7.114 -6.391 260 HH21 ARG 38 1HH2 ARG 38 7.555 -5.996 -5.110 261 HH22 ARG 38 2HH2 ARG 38 8.012 -4.377 -5.517 262 H GLN 39 H GLN 39 5.871 -0.439 -11.933 263 HA GLN 39 HA GLN 39 4.190 -0.278 -13.456 264 HB2 GLN 39 1HB GLN 39 6.312 -1.747 -14.970 265 HB3 GLN 39 2HB GLN 39 4.725 -1.540 -15.698 266 HG2 GLN 39 1HG GLN 39 4.955 0.912 -15.338 267 HG3 GLN 39 2HG GLN 39 6.608 0.625 -14.800 268 HE21 GLN 39 2HE2 GLN 39 6.396 1.488 -18.463 269 HE22 GLN 39 1HE2 GLN 39 5.672 2.181 -17.056 270 H ALA 40 H ALA 40 3.492 -1.954 -11.558 271 HA ALA 40 HA ALA 40 2.071 -4.078 -12.998 272 HB1 ALA 40 3HB ALA 40 2.915 -5.772 -11.805 273 HB2 ALA 40 1HB ALA 40 4.218 -4.654 -11.404 274 HB3 ALA 40 2HB ALA 40 2.861 -4.859 -10.297 275 H ARG 41 H ARG 41 -0.014 -4.356 -12.390 276 HA ARG 41 HA ARG 41 -1.191 -2.366 -10.695 277 HB2 ARG 41 1HB ARG 41 -2.195 -4.572 -12.428 278 HB3 ARG 41 2HB ARG 41 -3.265 -3.961 -11.174 279 HG2 ARG 41 1HG ARG 41 -3.212 -1.763 -12.096 280 HG3 ARG 41 2HG ARG 41 -1.940 -2.215 -13.233 281 HD2 ARG 41 1HD ARG 41 -4.747 -3.320 -13.185 282 HD3 ARG 41 2HD ARG 41 -4.130 -2.121 -14.321 283 HE ARG 41 HE ARG 41 -2.993 -3.793 -15.444 284 HH11 ARG 41 2HH1 ARG 41 -4.384 -5.028 -12.501 285 HH12 ARG 41 1HH1 ARG 41 -4.113 -6.689 -12.916 286 HH21 ARG 41 1HH2 ARG 41 -3.115 -7.226 -14.907 287 HH22 ARG 41 2HH2 ARG 41 -2.631 -5.975 -16.002 288 H LEU 42 H LEU 42 -0.729 -2.596 -8.571 289 HA LEU 42 HA LEU 42 -0.836 -5.202 -7.303 290 HB2 LEU 42 1HB LEU 42 0.046 -2.478 -6.526 291 HB3 LEU 42 2HB LEU 42 -0.460 -3.569 -5.238 292 HG LEU 42 HG LEU 42 1.820 -3.943 -7.172 293 HD11 LEU 42 1HD1 LEU 42 1.671 -2.675 -4.707 294 HD12 LEU 42 2HD1 LEU 42 3.132 -3.213 -5.535 295 HD13 LEU 42 3HD1 LEU 42 2.353 -4.262 -4.351 296 HD21 LEU 42 3HD2 LEU 42 0.409 -5.884 -5.401 297 HD22 LEU 42 1HD2 LEU 42 2.154 -6.020 -5.618 298 HD23 LEU 42 2HD2 LEU 42 1.082 -6.114 -7.016 299 H PHE 43 H PHE 43 -2.054 -5.436 -5.230 300 HA PHE 43 HA PHE 43 -4.656 -4.060 -5.389 301 HB2 PHE 43 1HB PHE 43 -5.357 -6.160 -5.940 302 HB3 PHE 43 2HB PHE 43 -3.984 -6.938 -5.161 303 HD1 PHE 43 2HD PHE 43 -6.566 -4.631 -3.795 304 HD2 PHE 43 1HD PHE 43 -4.845 -8.523 -3.724 305 HE1 PHE 43 2HE PHE 43 -7.994 -5.224 -1.881 306 HE2 PHE 43 1HE PHE 43 -6.271 -9.123 -1.811 307 HZ PHE 43 HZ PHE 43 -7.847 -7.472 -0.886 308 H PHE 44 H PHE 44 -4.713 -2.657 -3.755 309 HA PHE 44 HA PHE 44 -3.596 -3.453 -1.159 310 HB2 PHE 44 1HB PHE 44 -3.136 -1.247 -0.724 311 HB3 PHE 44 2HB PHE 44 -3.047 -1.215 -2.482 312 HD1 PHE 44 2HD PHE 44 -4.993 -0.238 0.451 313 HD2 PHE 44 1HD PHE 44 -4.759 -0.137 -3.797 314 HE1 PHE 44 2HE PHE 44 -6.729 1.505 0.401 315 HE2 PHE 44 1HE PHE 44 -6.494 1.607 -3.855 316 HZ PHE 44 HZ PHE 44 -7.482 2.429 -1.754 317 H HIS 45 H HIS 45 -4.815 -3.456 0.689 318 HA HIS 45 HA HIS 45 -7.710 -3.430 0.289 319 HB2 HIS 45 1HB HIS 45 -6.174 -5.238 1.559 320 HB3 HIS 45 2HB HIS 45 -6.563 -4.188 2.918 321 HD1 HIS 45 1HD HIS 45 -9.458 -3.537 2.458 322 HD2 HIS 45 2HD HIS 45 -7.877 -7.323 1.797 323 HE1 HIS 45 1HE HIS 45 -11.410 -5.116 2.604 324 HE2 HIS 45 2HE HIS 45 -10.416 -7.408 2.286 325 H CYS 46 H CYS 46 -9.103 -2.114 1.401 326 HA CYS 46 HA CYS 46 -8.335 0.448 2.067 327 HB2 CYS 46 1HB CYS 46 -10.730 -1.164 2.946 328 HB3 CYS 46 2HB CYS 46 -10.540 0.541 3.335 329 HG CYS 46 HG CYS 46 -11.519 1.432 1.142 330 H SER 47 H SER 47 -7.908 -2.401 3.873 331 HA SER 47 HA SER 47 -7.833 -1.146 6.466 332 HB2 SER 47 1HB SER 47 -8.346 -3.648 5.838 333 HB3 SER 47 2HB SER 47 -6.592 -3.818 5.918 334 HG SER 47 HG SER 47 -8.428 -3.436 7.938 335 H GLN 48 H GLN 48 -5.567 -1.954 3.940 336 HA GLN 48 HA GLN 48 -3.179 -1.786 5.406 337 HB2 GLN 48 1HB GLN 48 -3.605 -1.046 2.507 338 HB3 GLN 48 2HB GLN 48 -2.075 -1.471 3.263 339 HG2 GLN 48 1HG GLN 48 -4.437 -3.266 2.779 340 HG3 GLN 48 2HG GLN 48 -2.846 -3.350 2.022 341 HE21 GLN 48 2HE2 GLN 48 -3.145 -5.898 4.722 342 HE22 GLN 48 1HE2 GLN 48 -4.082 -5.495 3.328 343 H TYR 49 H TYR 49 -4.895 0.691 3.512 344 HA TYR 49 HA TYR 49 -3.137 2.802 3.942 345 HB2 TYR 49 1HB TYR 49 -5.071 2.795 2.351 346 HB3 TYR 49 2HB TYR 49 -6.146 3.021 3.726 347 HD1 TYR 49 2HD TYR 49 -2.837 4.600 3.091 348 HD2 TYR 49 1HD TYR 49 -7.047 5.149 3.373 349 HE1 TYR 49 2HE TYR 49 -2.525 7.035 2.929 350 HE2 TYR 49 1HE TYR 49 -6.746 7.585 3.210 351 HH TYR 49 HH TYR 49 -5.301 9.253 3.009 352 H ASN 50 H ASN 50 -2.467 3.666 5.781 353 HA ASN 50 HA ASN 50 -3.953 3.317 8.229 354 HB2 ASN 50 1HB ASN 50 -1.282 4.504 7.529 355 HB3 ASN 50 2HB ASN 50 -1.981 4.755 9.126 356 HD21 ASN 50 2HD2 ASN 50 0.124 1.536 8.544 357 HD22 ASN 50 1HD2 ASN 50 0.252 3.044 7.710 358 H GLY 51 H GLY 51 -4.369 5.371 5.761 359 HA2 GLY 51 1HA GLY 51 -4.895 7.730 7.437 360 HA3 GLY 51 2HA GLY 51 -4.778 7.728 5.684 361 H ASN 52 H ASN 52 -6.745 8.732 5.342 362 HA ASN 52 HA ASN 52 -9.122 7.197 6.164 363 HB2 ASN 52 1HB ASN 52 -8.847 9.590 7.023 364 HB3 ASN 52 2HB ASN 52 -9.122 10.105 5.361 365 HD21 ASN 52 2HD2 ASN 52 -12.305 10.085 7.311 366 HD22 ASN 52 1HD2 ASN 52 -10.741 10.770 7.574 367 H LEU 53 H LEU 53 -9.705 5.936 4.512 368 HA LEU 53 HA LEU 53 -9.112 6.023 1.890 369 HB2 LEU 53 1HB LEU 53 -11.486 5.082 3.384 370 HB3 LEU 53 2HB LEU 53 -11.647 5.204 1.633 371 HG LEU 53 HG LEU 53 -11.051 2.938 2.369 372 HD11 LEU 53 1HD1 LEU 53 -8.562 3.610 1.040 373 HD12 LEU 53 2HD1 LEU 53 -9.955 4.395 0.297 374 HD13 LEU 53 3HD1 LEU 53 -9.923 2.641 0.474 375 HD21 LEU 53 3HD2 LEU 53 -8.474 2.850 3.028 376 HD22 LEU 53 1HD2 LEU 53 -9.755 2.980 4.233 377 HD23 LEU 53 2HD2 LEU 53 -8.873 4.421 3.725 378 H GLN 54 H GLN 54 -11.619 7.936 3.472 379 HA GLN 54 HA GLN 54 -12.929 9.008 1.303 380 HB2 GLN 54 1HB GLN 54 -12.233 10.184 3.983 381 HB3 GLN 54 2HB GLN 54 -13.170 11.088 2.800 382 HG2 GLN 54 1HG GLN 54 -14.833 9.267 2.773 383 HG3 GLN 54 2HG GLN 54 -13.912 8.445 4.033 384 HE21 GLN 54 2HE2 GLN 54 -16.724 10.853 5.177 385 HE22 GLN 54 1HE2 GLN 54 -16.634 9.928 3.721 386 H ASP 55 H ASP 55 -9.944 10.189 2.824 387 HA ASP 55 HA ASP 55 -9.600 12.374 1.044 388 HB2 ASP 55 1HB ASP 55 -8.542 11.997 3.368 389 HB3 ASP 55 2HB ASP 55 -7.348 11.024 2.513 390 H LEU 56 H LEU 56 -8.692 9.008 0.952 391 HA LEU 56 HA LEU 56 -6.775 9.242 -1.144 392 HB2 LEU 56 1HB LEU 56 -7.245 7.320 0.588 393 HB3 LEU 56 2HB LEU 56 -8.318 6.734 -0.681 394 HG LEU 56 HG LEU 56 -6.456 6.531 -2.213 395 HD11 LEU 56 1HD1 LEU 56 -4.196 6.853 -0.596 396 HD12 LEU 56 2HD1 LEU 56 -5.180 8.293 -0.337 397 HD13 LEU 56 3HD1 LEU 56 -4.686 7.844 -1.970 398 HD21 LEU 56 3HD2 LEU 56 -5.809 4.549 -1.385 399 HD22 LEU 56 1HD2 LEU 56 -6.939 4.915 -0.081 400 HD23 LEU 56 2HD2 LEU 56 -5.220 5.255 0.121 401 H LYS 57 H LYS 57 -7.011 8.443 -3.319 402 HA LYS 57 HA LYS 57 -9.606 7.966 -4.427 403 HB2 LYS 57 1HB LYS 57 -9.505 9.961 -5.977 404 HB3 LYS 57 2HB LYS 57 -9.898 10.320 -4.301 405 HG2 LYS 57 1HG LYS 57 -7.604 11.028 -3.899 406 HG3 LYS 57 2HG LYS 57 -7.185 10.640 -5.569 407 HD2 LYS 57 1HD LYS 57 -7.584 12.876 -5.796 408 HD3 LYS 57 2HD LYS 57 -9.218 12.265 -6.068 409 HE2 LYS 57 1HE LYS 57 -9.669 13.874 -4.516 410 HE3 LYS 57 2HE LYS 57 -9.362 12.511 -3.441 411 HZ1 LYS 57 3HZ LYS 57 -7.023 13.311 -3.302 412 HZ2 LYS 57 1HZ LYS 57 -8.157 14.367 -2.625 413 HZ3 LYS 57 2HZ LYS 57 -7.490 14.703 -4.142 414 H VAL 58 H VAL 58 -9.460 7.897 -6.899 415 HA VAL 58 HA VAL 58 -7.113 6.352 -7.576 416 HB VAL 58 HB VAL 58 -9.530 7.060 -9.246 417 HG11 VAL 58 1HG1 VAL 58 -7.803 4.737 -9.880 418 HG12 VAL 58 2HG1 VAL 58 -8.721 5.796 -10.953 419 HG13 VAL 58 3HG1 VAL 58 -7.183 6.339 -10.280 420 HG21 VAL 58 3HG2 VAL 58 -9.668 5.554 -7.095 421 HG22 VAL 58 1HG2 VAL 58 -10.520 5.104 -8.572 422 HG23 VAL 58 2HG2 VAL 58 -8.985 4.335 -8.170 423 H GLY 59 H GLY 59 -5.322 7.231 -8.362 424 HA2 GLY 59 1HA GLY 59 -4.306 8.388 -10.254 425 HA3 GLY 59 2HA GLY 59 -5.581 9.590 -10.119 426 H ASP 60 H ASP 60 -4.223 8.424 -7.186 427 HA ASP 60 HA ASP 60 -2.587 10.866 -6.966 428 HB2 ASP 60 1HB ASP 60 -4.382 9.591 -4.898 429 HB3 ASP 60 2HB ASP 60 -3.173 10.810 -4.505 430 H ASP 61 H ASP 61 -0.524 10.565 -6.430 431 HA ASP 61 HA ASP 61 0.656 8.046 -6.293 432 HB2 ASP 61 1HB ASP 61 1.588 10.799 -5.541 433 HB3 ASP 61 2HB ASP 61 2.606 9.399 -5.218 434 H VAL 62 H VAL 62 1.309 6.721 -4.650 435 HA VAL 62 HA VAL 62 0.968 7.530 -1.885 436 HB VAL 62 HB VAL 62 -0.360 5.330 -1.492 437 HG11 VAL 62 1HG1 VAL 62 -1.081 8.018 -1.820 438 HG12 VAL 62 2HG1 VAL 62 -2.319 7.078 -2.656 439 HG13 VAL 62 3HG1 VAL 62 -1.970 6.764 -0.956 440 HG21 VAL 62 3HG2 VAL 62 -0.434 4.284 -3.557 441 HG22 VAL 62 1HG2 VAL 62 -2.008 5.075 -3.483 442 HG23 VAL 62 2HG2 VAL 62 -0.703 5.793 -4.428 443 H GLU 63 H GLU 63 2.213 6.359 -0.470 444 HA GLU 63 HA GLU 63 4.069 4.459 -1.707 445 HB2 GLU 63 1HB GLU 63 4.843 6.533 -0.405 446 HB3 GLU 63 2HB GLU 63 4.343 5.663 1.038 447 HG2 GLU 63 1HG GLU 63 5.859 3.775 0.147 448 HG3 GLU 63 2HG GLU 63 6.558 5.038 -0.865 449 H PHE 64 H PHE 64 4.141 2.364 -1.155 450 HA PHE 64 HA PHE 64 2.783 1.467 1.275 451 HB2 PHE 64 1HB PHE 64 1.772 -0.433 -0.102 452 HB3 PHE 64 2HB PHE 64 1.035 1.155 -0.286 453 HD1 PHE 64 1HD PHE 64 1.300 2.420 -2.340 454 HD2 PHE 64 2HD PHE 64 3.004 -1.455 -1.897 455 HE1 PHE 64 1HE PHE 64 1.635 2.293 -4.774 456 HE2 PHE 64 2HE PHE 64 3.343 -1.588 -4.331 457 HZ PHE 64 HZ PHE 64 2.659 0.288 -5.772 458 H GLU 65 H GLU 65 3.103 -1.064 1.408 459 HA GLU 65 HA GLU 65 5.917 -1.609 0.723 460 HB2 GLU 65 1HB GLU 65 5.921 -1.417 3.050 461 HB3 GLU 65 2HB GLU 65 4.344 -2.176 3.212 462 HG2 GLU 65 1HG GLU 65 5.932 -3.718 4.024 463 HG3 GLU 65 2HG GLU 65 5.403 -4.317 2.453 464 H VAL 66 H VAL 66 6.175 -3.205 -0.678 465 HA VAL 66 HA VAL 66 4.011 -4.949 -1.388 466 HB VAL 66 HB VAL 66 6.899 -4.993 -2.275 467 HG11 VAL 66 1HG1 VAL 66 6.221 -7.086 -2.883 468 HG12 VAL 66 2HG1 VAL 66 4.522 -6.623 -3.003 469 HG13 VAL 66 3HG1 VAL 66 5.652 -6.177 -4.282 470 HG21 VAL 66 3HG2 VAL 66 6.390 -3.521 -3.923 471 HG22 VAL 66 1HG2 VAL 66 4.726 -4.089 -4.065 472 HG23 VAL 66 2HG2 VAL 66 5.177 -3.000 -2.754 473 H SER 67 H SER 67 3.494 -6.754 -0.361 474 HA SER 67 HA SER 67 5.639 -8.363 0.848 475 HB2 SER 67 1HB SER 67 4.073 -6.938 2.443 476 HB3 SER 67 2HB SER 67 2.963 -8.282 2.177 477 HG SER 67 HG SER 67 5.610 -8.881 2.831 478 H SER 68 H SER 68 4.590 -10.587 1.549 479 HA SER 68 HA SER 68 3.019 -11.540 -0.756 480 HB2 SER 68 1HB SER 68 4.143 -13.756 -0.344 481 HB3 SER 68 2HB SER 68 5.232 -12.473 -0.872 482 HG SER 68 HG SER 68 4.955 -13.643 1.670 483 H ASP 69 H ASP 69 1.057 -12.253 -0.292 484 HA ASP 69 HA ASP 69 -0.043 -12.352 2.257 485 HB2 ASP 69 1HB ASP 69 -1.233 -12.288 -0.015 486 HB3 ASP 69 2HB ASP 69 -1.053 -14.040 -0.025 487 H ARG 70 H ARG 70 -1.249 -14.515 2.968 488 HA ARG 70 HA ARG 70 0.893 -16.487 3.360 489 HB2 ARG 70 1HB ARG 70 -0.874 -17.223 5.210 490 HB3 ARG 70 2HB ARG 70 0.293 -15.937 5.493 491 HG2 ARG 70 1HG ARG 70 -2.329 -15.187 4.330 492 HG3 ARG 70 2HG ARG 70 -2.279 -15.652 6.031 493 HD2 ARG 70 1HD ARG 70 -1.885 -13.147 5.216 494 HD3 ARG 70 2HD ARG 70 -1.087 -13.819 6.637 495 HE ARG 70 HE ARG 70 0.441 -14.240 4.272 496 HH11 ARG 70 2HH1 ARG 70 -0.396 -11.858 6.668 497 HH12 ARG 70 1HH1 ARG 70 1.066 -10.951 6.466 498 HH21 ARG 70 1HH2 ARG 70 2.638 -11.631 4.945 499 HH22 ARG 70 2HH2 ARG 70 2.370 -13.054 3.996 500 H ARG 71 H ARG 71 -2.324 -16.050 2.127 501 HA ARG 71 HA ARG 71 -2.787 -18.905 1.851 502 HB2 ARG 71 1HB ARG 71 -4.479 -16.625 0.822 503 HB3 ARG 71 2HB ARG 71 -4.965 -18.304 1.014 504 HG2 ARG 71 1HG ARG 71 -4.559 -18.016 3.485 505 HG3 ARG 71 2HG ARG 71 -4.401 -16.287 3.166 506 HD2 ARG 71 1HD ARG 71 -6.687 -16.566 1.966 507 HD3 ARG 71 2HD ARG 71 -6.804 -18.051 2.909 508 HE ARG 71 HE ARG 71 -7.185 -15.406 3.859 509 HH11 ARG 71 2HH1 ARG 71 -5.913 -18.513 4.776 510 HH12 ARG 71 1HH1 ARG 71 -6.182 -18.269 6.470 511 HH21 ARG 71 1HH2 ARG 71 -7.111 -16.312 7.214 512 HH22 ARG 71 2HH2 ARG 71 -7.544 -15.072 6.086 513 H THR 72 H THR 72 -2.777 -16.123 -0.386 514 HA THR 72 HA THR 72 -2.239 -17.924 -2.613 515 HB THR 72 HB THR 72 -2.814 -16.177 -4.067 516 HG1 THR 72 1HG THR 72 -2.612 -14.055 -3.571 517 HG21 THR 72 3HG2 THR 72 -4.439 -16.118 -1.550 518 HG22 THR 72 1HG2 THR 72 -4.840 -16.814 -3.119 519 HG23 THR 72 2HG2 THR 72 -4.849 -15.063 -2.903 520 H GLY 73 H GLY 73 -0.561 -15.803 -0.509 521 HA2 GLY 73 1HA GLY 73 1.650 -15.200 -0.379 522 HA3 GLY 73 2HA GLY 73 1.973 -16.517 -1.497 523 H LYS 74 H LYS 74 -0.253 -14.291 -2.726 524 HA LYS 74 HA LYS 74 1.552 -13.454 -4.775 525 HB2 LYS 74 1HB LYS 74 -1.240 -12.495 -4.116 526 HB3 LYS 74 2HB LYS 74 -0.357 -12.109 -5.587 527 HG2 LYS 74 1HG LYS 74 -0.740 -14.971 -4.892 528 HG3 LYS 74 2HG LYS 74 -2.123 -14.059 -5.503 529 HD2 LYS 74 1HD LYS 74 -1.156 -13.717 -7.566 530 HD3 LYS 74 2HD LYS 74 0.487 -13.884 -6.941 531 HE2 LYS 74 1HE LYS 74 -0.035 -16.317 -6.548 532 HE3 LYS 74 2HE LYS 74 -1.528 -16.064 -7.450 533 HZ1 LYS 74 3HZ LYS 74 0.181 -16.925 -8.891 534 HZ2 LYS 74 1HZ LYS 74 1.228 -15.662 -8.479 535 HZ3 LYS 74 2HZ LYS 74 -0.187 -15.338 -9.347 536 HA PRO 75 HA PRO 75 3.176 -9.738 -3.090 537 HB2 PRO 75 2HB PRO 75 4.475 -9.593 -4.979 538 HB3 PRO 75 1HB PRO 75 3.420 -8.218 -5.325 539 HG2 PRO 75 1HG PRO 75 2.082 -9.446 -6.772 540 HG3 PRO 75 2HG PRO 75 3.646 -10.230 -7.056 541 HD2 PRO 75 1HD PRO 75 1.442 -11.608 -6.298 542 HD3 PRO 75 2HD PRO 75 3.081 -12.089 -5.816 543 H ILE 76 H ILE 76 1.581 -8.865 -1.792 544 HA ILE 76 HA ILE 76 -0.327 -7.044 -3.105 545 HB ILE 76 HB ILE 76 -1.738 -7.254 -1.111 546 HG12 ILE 76 1HG1 ILE 76 -0.051 -9.542 -0.159 547 HG13 ILE 76 2HG1 ILE 76 0.371 -7.899 0.311 548 HG21 ILE 76 1HG2 ILE 76 -2.364 -9.671 -1.424 549 HG22 ILE 76 2HG2 ILE 76 -2.272 -8.714 -2.902 550 HG23 ILE 76 3HG2 ILE 76 -0.962 -9.817 -2.483 551 HD11 ILE 76 3HD1 ILE 76 -2.440 -8.438 0.710 552 HD12 ILE 76 1HD1 ILE 76 -1.415 -9.580 1.579 553 HD13 ILE 76 2HD1 ILE 76 -1.227 -7.847 1.846 554 H ALA 77 H ALA 77 -0.918 -5.109 -1.825 555 HA ALA 77 HA ALA 77 1.491 -3.927 -0.666 556 HB1 ALA 77 3HB ALA 77 0.811 -1.970 -1.516 557 HB2 ALA 77 1HB ALA 77 -0.299 -2.948 -2.476 558 HB3 ALA 77 2HB ALA 77 -0.852 -2.202 -0.977 559 H VAL 78 H VAL 78 1.439 -2.755 1.308 560 HA VAL 78 HA VAL 78 -0.877 -3.072 3.039 561 HB VAL 78 HB VAL 78 0.417 -4.076 4.869 562 HG11 VAL 78 1HG1 VAL 78 0.579 -5.768 2.380 563 HG12 VAL 78 2HG1 VAL 78 0.431 -6.329 4.047 564 HG13 VAL 78 3HG1 VAL 78 -0.905 -5.468 3.283 565 HG21 VAL 78 3HG2 VAL 78 2.609 -3.928 2.853 566 HG22 VAL 78 1HG2 VAL 78 2.639 -3.572 4.580 567 HG23 VAL 78 2HG2 VAL 78 2.608 -5.245 4.025 568 H LYS 79 H LYS 79 -0.588 -1.919 5.122 569 HA LYS 79 HA LYS 79 -0.279 0.115 6.123 570 HB2 LYS 79 1HB LYS 79 2.617 -0.365 5.417 571 HB3 LYS 79 2HB LYS 79 1.988 0.552 6.780 572 HG2 LYS 79 1HG LYS 79 1.506 -2.394 6.431 573 HG3 LYS 79 2HG LYS 79 2.890 -1.736 7.307 574 HD2 LYS 79 1HD LYS 79 1.441 -1.987 9.050 575 HD3 LYS 79 2HD LYS 79 0.978 -0.363 8.535 576 HE2 LYS 79 1HE LYS 79 -0.702 -1.629 7.000 577 HE3 LYS 79 2HE LYS 79 -0.438 -2.965 8.120 578 HZ1 LYS 79 3HZ LYS 79 -2.039 -2.005 9.314 579 HZ2 LYS 79 1HZ LYS 79 -1.925 -0.532 8.489 580 HZ3 LYS 79 2HZ LYS 79 -0.872 -0.868 9.769 581 H LEU 80 H LEU 80 -1.167 0.565 3.618 582 HA LEU 80 HA LEU 80 0.446 2.116 1.938 583 HB2 LEU 80 1HB LEU 80 -2.123 1.178 1.878 584 HB3 LEU 80 2HB LEU 80 -2.368 2.916 2.044 585 HG LEU 80 HG LEU 80 -0.576 2.880 0.028 586 HD11 LEU 80 1HD1 LEU 80 -2.304 0.626 -0.812 587 HD12 LEU 80 2HD1 LEU 80 -0.934 0.253 0.232 588 HD13 LEU 80 3HD1 LEU 80 -0.669 1.055 -1.316 589 HD21 LEU 80 3HD2 LEU 80 -3.388 3.283 0.357 590 HD22 LEU 80 1HD2 LEU 80 -3.081 2.523 -1.204 591 HD23 LEU 80 2HD2 LEU 80 -2.280 4.039 -0.790 592 H VAL 81 H VAL 81 0.545 4.384 1.616 593 HA VAL 81 HA VAL 81 -0.534 6.157 3.629 594 HB VAL 81 HB VAL 81 1.831 7.134 4.007 595 HG11 VAL 81 1HG1 VAL 81 0.272 5.780 5.591 596 HG12 VAL 81 2HG1 VAL 81 1.456 4.493 5.353 597 HG13 VAL 81 3HG1 VAL 81 1.959 6.040 6.036 598 HG21 VAL 81 3HG2 VAL 81 2.711 4.307 3.545 599 HG22 VAL 81 1HG2 VAL 81 2.759 5.496 2.243 600 HG23 VAL 81 2HG2 VAL 81 3.690 5.764 3.717 601 H LYS 82 H LYS 82 -0.964 8.096 2.772 602 HA LYS 82 HA LYS 82 -0.468 8.584 0.015 603 HB2 LYS 82 1HB LYS 82 -2.382 9.424 1.648 604 HB3 LYS 82 2HB LYS 82 -1.294 10.791 1.847 605 HG2 LYS 82 1HG LYS 82 -1.562 11.499 -0.314 606 HG3 LYS 82 2HG LYS 82 -1.972 9.887 -0.907 607 HD2 LYS 82 1HD LYS 82 -4.162 10.017 -0.017 608 HD3 LYS 82 2HD LYS 82 -3.766 11.445 0.942 609 HE2 LYS 82 1HE LYS 82 -3.349 12.644 -1.236 610 HE3 LYS 82 2HE LYS 82 -4.044 11.244 -2.051 611 HZ1 LYS 82 3HZ LYS 82 -6.051 11.610 -0.607 612 HZ2 LYS 82 1HZ LYS 82 -5.777 12.789 -1.788 613 HZ3 LYS 82 2HZ LYS 82 -5.383 13.102 -0.174 614 H ILE 83 H ILE 83 1.278 9.425 -0.898 615 HA ILE 83 HA ILE 83 3.544 10.248 0.526 616 HB ILE 83 HB ILE 83 2.969 11.128 -2.292 617 HG12 ILE 83 1HG1 ILE 83 3.592 8.383 -1.244 618 HG13 ILE 83 2HG1 ILE 83 2.398 8.863 -2.445 619 HG21 ILE 83 1HG2 ILE 83 5.199 11.438 -2.497 620 HG22 ILE 83 2HG2 ILE 83 5.102 11.626 -0.747 621 HG23 ILE 83 3HG2 ILE 83 5.595 10.082 -1.442 622 HD11 ILE 83 3HD1 ILE 83 4.697 9.601 -3.669 623 HD12 ILE 83 1HD1 ILE 83 5.226 8.186 -2.760 624 HD13 ILE 83 2HD1 ILE 83 3.886 8.052 -3.899 625 H SER 84 H SER 84 1.185 12.210 -1.289 626 HA SER 84 HA SER 84 2.115 14.561 0.224 627 HB2 SER 84 1HB SER 84 1.083 14.253 -2.578 628 HB3 SER 84 2HB SER 84 0.917 15.798 -1.744 629 HG SER 84 HG SER 84 3.137 14.621 -2.818 630 H GLY 85 H GLY 85 0.777 14.643 1.952 631 HA2 GLY 85 1HA GLY 85 -1.707 15.763 1.864 632 HA3 GLY 85 2HA GLY 85 -2.028 14.039 1.751 633 HA PRO 86 HA PRO 86 -0.912 15.598 6.195 634 HB2 PRO 86 2HB PRO 86 -1.956 17.642 6.304 635 HB3 PRO 86 1HB PRO 86 -3.243 16.691 7.054 636 HG2 PRO 86 1HG PRO 86 -4.472 16.568 5.088 637 HG3 PRO 86 2HG PRO 86 -3.723 18.163 4.886 638 HD2 PRO 86 1HD PRO 86 -3.470 16.191 3.048 639 HD3 PRO 86 2HD PRO 86 -2.194 17.389 3.345 640 H SER 87 H SER 87 -0.971 13.783 7.350 641 HA SER 87 HA SER 87 -3.357 12.087 7.250 642 HB2 SER 87 1HB SER 87 -0.603 11.482 8.354 643 HB3 SER 87 2HB SER 87 -1.928 10.330 8.187 644 HG SER 87 HG SER 87 -1.750 10.441 5.994 645 H SER 88 H SER 88 -4.815 12.435 8.780 646 HA SER 88 HA SER 88 -3.876 13.134 11.485 647 HB2 SER 88 1HB SER 88 -5.206 14.911 10.323 648 HB3 SER 88 2HB SER 88 -6.570 13.795 10.274 649 HG SER 88 HG SER 88 -6.543 15.287 12.090 650 H GLY 89 H GLY 89 -3.808 11.199 12.505 651 HA2 GLY 89 1HA GLY 89 -4.741 9.487 13.755 652 HA3 GLY 89 2HA GLY 89 -6.320 9.933 13.126 Start of MODEL 11 1 H1 GLY 1 H GLY 1 41.526 -4.919 15.461 2 HA2 GLY 1 1HA GLY 1 43.604 -4.488 13.673 3 HA3 GLY 1 2HA GLY 1 44.082 -5.862 14.659 4 H SER 2 H SER 2 41.749 -4.667 12.334 5 HA SER 2 HA SER 2 40.456 -7.253 12.100 6 HB2 SER 2 1HB SER 2 40.011 -4.539 10.920 7 HB3 SER 2 2HB SER 2 39.321 -5.946 10.111 8 HG SER 2 HG SER 2 38.896 -5.160 12.806 9 H SER 3 H SER 3 42.290 -8.488 11.436 10 HA SER 3 HA SER 3 44.026 -8.060 9.384 11 HB2 SER 3 1HB SER 3 44.306 -10.433 9.215 12 HB3 SER 3 2HB SER 3 43.924 -10.081 10.901 13 HG SER 3 HG SER 3 42.404 -11.376 8.958 14 H GLY 4 H GLY 4 43.968 -7.937 7.218 15 HA2 GLY 4 1HA GLY 4 43.102 -7.775 5.099 16 HA3 GLY 4 2HA GLY 4 42.203 -9.231 5.501 17 H SER 5 H SER 5 41.988 -5.959 4.746 18 HA SER 5 HA SER 5 39.305 -5.685 5.888 19 HB2 SER 5 1HB SER 5 39.516 -3.300 5.128 20 HB3 SER 5 2HB SER 5 40.737 -3.791 6.302 21 HG SER 5 HG SER 5 41.227 -3.946 3.528 22 H SER 6 H SER 6 39.535 -7.542 3.831 23 HA SER 6 HA SER 6 38.823 -6.365 1.315 24 HB2 SER 6 1HB SER 6 38.998 -9.163 2.378 25 HB3 SER 6 2HB SER 6 38.166 -8.862 0.853 26 HG SER 6 HG SER 6 40.418 -9.331 0.602 27 H GLY 7 H GLY 7 37.065 -8.088 3.876 28 HA2 GLY 7 1HA GLY 7 34.841 -7.161 4.430 29 HA3 GLY 7 2HA GLY 7 34.560 -7.048 2.699 30 H GLY 8 H GLY 8 33.183 -8.533 2.004 31 HA2 GLY 8 1HA GLY 8 33.300 -11.126 1.740 32 HA3 GLY 8 2HA GLY 8 32.979 -11.069 3.467 33 H TYR 9 H TYR 9 31.054 -12.297 2.971 34 HA TYR 9 HA TYR 9 28.805 -10.535 2.428 35 HB2 TYR 9 1HB TYR 9 29.492 -12.938 0.755 36 HB3 TYR 9 2HB TYR 9 27.828 -12.387 0.913 37 HD1 TYR 9 1HD TYR 9 27.301 -9.982 0.238 38 HD2 TYR 9 2HD TYR 9 30.941 -11.932 -0.788 39 HE1 TYR 9 1HE TYR 9 27.672 -8.336 -1.551 40 HE2 TYR 9 2HE TYR 9 31.322 -10.291 -2.579 41 HH TYR 9 HH TYR 9 29.166 -7.531 -3.033 42 HA PRO 10 HA PRO 10 26.555 -11.181 1.848 43 HB2 PRO 10 2HB PRO 10 24.508 -11.903 2.603 44 HB3 PRO 10 1HB PRO 10 24.509 -10.336 3.420 45 HG2 PRO 10 1HG PRO 10 25.180 -11.249 5.446 46 HG3 PRO 10 2HG PRO 10 24.217 -12.593 4.804 47 HD2 PRO 10 1HD PRO 10 26.799 -12.884 5.567 48 HD3 PRO 10 2HD PRO 10 26.082 -13.827 4.245 49 H ASN 11 H ASN 11 27.312 -10.316 5.184 50 HA ASN 11 HA ASN 11 27.975 -8.371 6.161 51 HB2 ASN 11 1HB ASN 11 29.096 -8.183 3.393 52 HB3 ASN 11 2HB ASN 11 29.234 -6.794 4.467 53 HD21 ASN 11 2HD2 ASN 11 32.312 -8.455 5.120 54 HD22 ASN 11 1HD2 ASN 11 31.551 -7.358 4.023 55 H GLY 12 H GLY 12 25.296 -8.410 5.444 56 HA2 GLY 12 1HA GLY 12 24.506 -5.787 5.731 57 HA3 GLY 12 2HA GLY 12 24.538 -6.068 3.996 58 H THR 13 H THR 13 22.504 -5.909 6.477 59 HA THR 13 HA THR 13 20.937 -8.267 6.185 60 HB THR 13 HB THR 13 20.056 -5.582 7.259 61 HG1 THR 13 1HG THR 13 20.719 -7.615 9.015 62 HG21 THR 13 3HG2 THR 13 19.002 -8.285 8.038 63 HG22 THR 13 1HG2 THR 13 18.329 -7.394 6.674 64 HG23 THR 13 2HG2 THR 13 18.274 -6.699 8.294 65 H SER 14 H SER 14 19.272 -8.721 4.856 66 HA SER 14 HA SER 14 18.669 -6.759 2.762 67 HB2 SER 14 1HB SER 14 18.373 -9.758 2.904 68 HB3 SER 14 2HB SER 14 17.618 -8.802 1.629 69 HG SER 14 HG SER 14 19.540 -8.364 0.788 70 H ALA 15 H ALA 15 17.197 -5.484 3.923 71 HA ALA 15 HA ALA 15 14.714 -6.801 4.777 72 HB1 ALA 15 3HB ALA 15 16.257 -4.629 5.829 73 HB2 ALA 15 1HB ALA 15 14.624 -4.076 5.458 74 HB3 ALA 15 2HB ALA 15 14.865 -5.453 6.533 75 H ALA 16 H ALA 16 12.669 -5.766 4.249 76 HA ALA 16 HA ALA 16 12.517 -5.094 1.477 77 HB1 ALA 16 3HB ALA 16 10.134 -5.014 1.802 78 HB2 ALA 16 1HB ALA 16 10.787 -6.405 2.669 79 HB3 ALA 16 2HB ALA 16 10.336 -4.946 3.552 80 H LEU 17 H LEU 17 11.049 -3.174 0.833 81 HA LEU 17 HA LEU 17 11.586 -0.797 2.452 82 HB2 LEU 17 1HB LEU 17 12.563 0.425 0.695 83 HB3 LEU 17 2HB LEU 17 13.403 -1.124 0.739 84 HG LEU 17 HG LEU 17 13.113 -0.671 -1.534 85 HD11 LEU 17 1HD1 LEU 17 11.749 -2.428 -2.325 86 HD12 LEU 17 2HD1 LEU 17 10.693 -2.344 -0.915 87 HD13 LEU 17 3HD1 LEU 17 12.343 -2.943 -0.747 88 HD21 LEU 17 3HD2 LEU 17 10.187 -0.231 -1.429 89 HD22 LEU 17 1HD2 LEU 17 11.406 0.473 -2.493 90 HD23 LEU 17 2HD2 LEU 17 11.219 1.077 -0.846 91 H ARG 18 H ARG 18 10.406 1.141 1.562 92 HA ARG 18 HA ARG 18 7.693 0.343 0.940 93 HB2 ARG 18 1HB ARG 18 8.852 3.092 1.434 94 HB3 ARG 18 2HB ARG 18 7.140 2.702 1.323 95 HG2 ARG 18 1HG ARG 18 9.000 1.565 3.398 96 HG3 ARG 18 2HG ARG 18 7.980 2.985 3.642 97 HD2 ARG 18 1HD ARG 18 6.831 0.363 2.745 98 HD3 ARG 18 2HD ARG 18 7.111 0.706 4.451 99 HE ARG 18 HE ARG 18 5.084 1.870 2.744 100 HH11 ARG 18 2HH1 ARG 18 6.856 2.085 5.733 101 HH12 ARG 18 1HH1 ARG 18 5.665 3.068 6.520 102 HH21 ARG 18 1HH2 ARG 18 3.762 3.681 5.401 103 HH22 ARG 18 2HH2 ARG 18 3.510 3.164 3.768 104 H GLU 19 H GLU 19 6.839 0.322 -1.029 105 HA GLU 19 HA GLU 19 8.332 1.568 -3.220 106 HB2 GLU 19 1HB GLU 19 6.018 -0.363 -3.410 107 HB3 GLU 19 2HB GLU 19 7.109 0.116 -4.702 108 HG2 GLU 19 1HG GLU 19 8.935 -0.871 -3.105 109 HG3 GLU 19 2HG GLU 19 7.562 -1.748 -2.430 110 H THR 20 H THR 20 7.234 2.790 -4.844 111 HA THR 20 HA THR 20 4.727 4.028 -3.908 112 HB THR 20 HB THR 20 5.435 6.164 -4.767 113 HG1 THR 20 1HG THR 20 7.918 4.960 -5.473 114 HG21 THR 20 3HG2 THR 20 6.752 6.703 -3.009 115 HG22 THR 20 1HG2 THR 20 7.939 5.452 -3.380 116 HG23 THR 20 2HG2 THR 20 6.451 5.032 -2.531 117 H GLY 21 H GLY 21 3.132 4.367 -5.396 118 HA2 GLY 21 1HA GLY 21 3.708 3.943 -8.229 119 HA3 GLY 21 2HA GLY 21 2.594 2.816 -7.468 120 H VAL 22 H VAL 22 0.651 3.311 -8.276 121 HA VAL 22 HA VAL 22 -0.464 5.916 -7.658 122 HB VAL 22 HB VAL 22 0.579 6.078 -9.971 123 HG11 VAL 22 1HG1 VAL 22 -1.639 4.129 -10.550 124 HG12 VAL 22 2HG1 VAL 22 -0.882 5.127 -11.794 125 HG13 VAL 22 3HG1 VAL 22 0.081 3.953 -10.896 126 HG21 VAL 22 3HG2 VAL 22 -1.481 7.179 -10.930 127 HG22 VAL 22 1HG2 VAL 22 -2.351 6.592 -9.513 128 HG23 VAL 22 2HG2 VAL 22 -1.006 7.717 -9.319 129 H ILE 23 H ILE 23 -2.657 5.875 -7.367 130 HA ILE 23 HA ILE 23 -3.873 3.312 -7.026 131 HB ILE 23 HB ILE 23 -5.067 6.080 -6.838 132 HG12 ILE 23 1HG1 ILE 23 -3.202 5.338 -5.222 133 HG13 ILE 23 2HG1 ILE 23 -4.687 5.973 -4.521 134 HG21 ILE 23 1HG2 ILE 23 -6.220 3.491 -5.816 135 HG22 ILE 23 2HG2 ILE 23 -6.965 5.088 -5.774 136 HG23 ILE 23 3HG2 ILE 23 -6.718 4.271 -7.317 137 HD11 ILE 23 3HD1 ILE 23 -4.436 3.039 -4.921 138 HD12 ILE 23 1HD1 ILE 23 -3.568 3.802 -3.589 139 HD13 ILE 23 2HD1 ILE 23 -5.324 3.943 -3.694 140 H GLU 24 H GLU 24 -4.057 2.300 -9.006 141 HA GLU 24 HA GLU 24 -5.104 3.525 -11.333 142 HB2 GLU 24 1HB GLU 24 -3.710 1.346 -11.075 143 HB3 GLU 24 2HB GLU 24 -5.268 0.572 -10.819 144 HG2 GLU 24 1HG GLU 24 -4.368 0.514 -13.167 145 HG3 GLU 24 2HG GLU 24 -6.013 1.118 -12.981 146 H LYS 25 H LYS 25 -6.559 1.481 -8.831 147 HA LYS 25 HA LYS 25 -9.189 2.507 -9.602 148 HB2 LYS 25 1HB LYS 25 -8.498 0.077 -10.501 149 HB3 LYS 25 2HB LYS 25 -9.065 -0.378 -8.899 150 HG2 LYS 25 1HG LYS 25 -10.801 1.407 -10.505 151 HG3 LYS 25 2HG LYS 25 -10.671 -0.281 -11.004 152 HD2 LYS 25 1HD LYS 25 -11.132 0.277 -8.123 153 HD3 LYS 25 2HD LYS 25 -12.478 0.540 -9.235 154 HE2 LYS 25 1HE LYS 25 -10.891 -2.013 -8.969 155 HE3 LYS 25 2HE LYS 25 -12.488 -1.724 -8.279 156 HZ1 LYS 25 3HZ LYS 25 -11.908 -2.700 -10.796 157 HZ2 LYS 25 1HZ LYS 25 -12.484 -1.129 -11.047 158 HZ3 LYS 25 2HZ LYS 25 -13.426 -2.249 -10.200 159 H LEU 26 H LEU 26 -10.810 2.255 -7.930 160 HA LEU 26 HA LEU 26 -9.854 1.514 -5.280 161 HB2 LEU 26 1HB LEU 26 -9.430 4.007 -5.802 162 HB3 LEU 26 2HB LEU 26 -11.176 4.179 -5.638 163 HG LEU 26 HG LEU 26 -10.700 2.977 -3.320 164 HD11 LEU 26 1HD1 LEU 26 -8.575 3.943 -2.389 165 HD12 LEU 26 2HD1 LEU 26 -8.095 4.295 -4.048 166 HD13 LEU 26 3HD1 LEU 26 -8.366 2.627 -3.544 167 HD21 LEU 26 3HD2 LEU 26 -10.464 5.270 -2.329 168 HD22 LEU 26 1HD2 LEU 26 -11.805 5.079 -3.460 169 HD23 LEU 26 2HD2 LEU 26 -10.327 5.893 -3.974 170 H LEU 27 H LEU 27 -11.435 0.729 -3.977 171 HA LEU 27 HA LEU 27 -14.218 0.997 -4.894 172 HB2 LEU 27 1HB LEU 27 -12.956 -1.513 -3.805 173 HB3 LEU 27 2HB LEU 27 -14.632 -1.323 -4.314 174 HG LEU 27 HG LEU 27 -13.488 -0.708 -6.619 175 HD11 LEU 27 1HD1 LEU 27 -11.559 -2.588 -6.647 176 HD12 LEU 27 2HD1 LEU 27 -11.345 -1.940 -5.021 177 HD13 LEU 27 3HD1 LEU 27 -11.252 -0.866 -6.417 178 HD21 LEU 27 3HD2 LEU 27 -15.040 -2.471 -6.502 179 HD22 LEU 27 1HD2 LEU 27 -13.993 -3.434 -5.459 180 HD23 LEU 27 2HD2 LEU 27 -13.568 -3.194 -7.154 181 H THR 28 H THR 28 -15.609 -0.195 -2.990 182 HA THR 28 HA THR 28 -15.218 1.533 -0.712 183 HB THR 28 HB THR 28 -17.351 -0.511 -1.342 184 HG1 THR 28 1HG THR 28 -18.385 1.159 -2.154 185 HG21 THR 28 3HG2 THR 28 -18.569 0.570 0.583 186 HG22 THR 28 1HG2 THR 28 -17.035 1.306 1.043 187 HG23 THR 28 2HG2 THR 28 -17.204 -0.450 1.036 188 H SER 29 H SER 29 -14.376 -1.659 -1.568 189 HA SER 29 HA SER 29 -14.003 -2.427 1.244 190 HB2 SER 29 1HB SER 29 -14.111 -4.051 -1.299 191 HB3 SER 29 2HB SER 29 -13.573 -4.727 0.238 192 HG SER 29 HG SER 29 -15.659 -3.947 1.071 193 H TYR 30 H TYR 30 -12.315 -2.132 -1.845 194 HA TYR 30 HA TYR 30 -9.825 -1.646 -0.476 195 HB2 TYR 30 1HB TYR 30 -8.765 -3.487 -2.068 196 HB3 TYR 30 2HB TYR 30 -9.365 -3.894 -0.464 197 HD1 TYR 30 1HD TYR 30 -10.827 -3.504 -3.890 198 HD2 TYR 30 2HD TYR 30 -10.541 -5.866 -0.363 199 HE1 TYR 30 1HE TYR 30 -12.342 -5.166 -4.887 200 HE2 TYR 30 2HE TYR 30 -12.054 -7.535 -1.351 201 HH TYR 30 HH TYR 30 -12.971 -8.241 -3.338 202 H GLY 31 H GLY 31 -8.014 -1.726 -2.416 203 HA2 GLY 31 1HA GLY 31 -9.115 -0.555 -4.849 204 HA3 GLY 31 2HA GLY 31 -8.122 0.502 -3.856 205 H PHE 32 H PHE 32 -7.517 -0.196 -6.517 206 HA PHE 32 HA PHE 32 -5.235 -2.025 -6.218 207 HB2 PHE 32 1HB PHE 32 -6.672 -1.065 -8.700 208 HB3 PHE 32 2HB PHE 32 -5.249 -2.101 -8.711 209 HD1 PHE 32 2HD PHE 32 -8.783 -1.907 -7.646 210 HD2 PHE 32 1HD PHE 32 -5.433 -4.421 -8.401 211 HE1 PHE 32 2HE PHE 32 -10.231 -3.887 -7.454 212 HE2 PHE 32 1HE PHE 32 -6.875 -6.405 -8.211 213 HZ PHE 32 HZ PHE 32 -9.277 -6.140 -7.736 214 H ILE 33 H ILE 33 -3.172 -1.406 -6.796 215 HA ILE 33 HA ILE 33 -2.799 1.448 -7.429 216 HB ILE 33 HB ILE 33 -1.189 -0.231 -5.504 217 HG12 ILE 33 1HG1 ILE 33 -2.449 2.415 -4.884 218 HG13 ILE 33 2HG1 ILE 33 -3.449 0.966 -4.894 219 HG21 ILE 33 1HG2 ILE 33 -0.402 2.023 -7.108 220 HG22 ILE 33 2HG2 ILE 33 -0.326 2.425 -5.393 221 HG23 ILE 33 3HG2 ILE 33 0.564 1.035 -6.012 222 HD11 ILE 33 3HD1 ILE 33 -1.319 1.794 -3.017 223 HD12 ILE 33 1HD1 ILE 33 -2.859 0.992 -2.709 224 HD13 ILE 33 2HD1 ILE 33 -1.496 0.071 -3.346 225 H GLN 34 H GLN 34 -2.008 1.571 -9.421 226 HA GLN 34 HA GLN 34 -0.545 -0.571 -10.637 227 HB2 GLN 34 1HB GLN 34 -1.990 0.744 -12.030 228 HB3 GLN 34 2HB GLN 34 -1.185 2.233 -11.552 229 HG2 GLN 34 1HG GLN 34 -0.177 1.945 -13.548 230 HG3 GLN 34 2HG GLN 34 0.912 0.959 -12.573 231 HE21 GLN 34 2HE2 GLN 34 -0.005 -2.083 -14.021 232 HE22 GLN 34 1HE2 GLN 34 0.778 -1.291 -12.700 233 H CYS 35 H CYS 35 1.373 -0.907 -9.580 234 HA CYS 35 HA CYS 35 3.141 0.793 -8.462 235 HB2 CYS 35 1HB CYS 35 3.580 -1.695 -10.081 236 HB3 CYS 35 2HB CYS 35 4.960 -0.796 -9.461 237 HG CYS 35 HG CYS 35 4.198 -1.046 -6.778 238 H SER 36 H SER 36 4.860 2.091 -9.086 239 HA SER 36 HA SER 36 4.773 2.967 -11.893 240 HB2 SER 36 1HB SER 36 5.442 4.399 -9.332 241 HB3 SER 36 2HB SER 36 5.972 5.033 -10.891 242 HG SER 36 HG SER 36 3.748 5.584 -9.865 243 H GLU 37 H GLU 37 6.539 1.034 -9.941 244 HA GLU 37 HA GLU 37 9.096 1.751 -11.215 245 HB2 GLU 37 1HB GLU 37 8.712 0.000 -8.786 246 HB3 GLU 37 2HB GLU 37 10.224 0.649 -9.405 247 HG2 GLU 37 1HG GLU 37 9.019 2.949 -8.993 248 HG3 GLU 37 2HG GLU 37 8.076 1.989 -7.854 249 H ARG 38 H ARG 38 6.842 -0.865 -10.562 250 HA ARG 38 HA ARG 38 8.399 -2.617 -12.341 251 HB2 ARG 38 1HB ARG 38 7.434 -4.490 -11.266 252 HB3 ARG 38 2HB ARG 38 7.873 -3.379 -9.975 253 HG2 ARG 38 1HG ARG 38 5.587 -2.670 -9.738 254 HG3 ARG 38 2HG ARG 38 5.107 -3.638 -11.134 255 HD2 ARG 38 1HD ARG 38 6.282 -4.742 -8.585 256 HD3 ARG 38 2HD ARG 38 4.562 -4.706 -8.969 257 HE ARG 38 HE ARG 38 5.718 -6.004 -11.078 258 HH11 ARG 38 2HH1 ARG 38 5.648 -6.459 -7.628 259 HH12 ARG 38 1HH1 ARG 38 5.803 -8.183 -7.721 260 HH21 ARG 38 1HH2 ARG 38 5.959 -9.212 -9.761 261 HH22 ARG 38 2HH2 ARG 38 5.922 -8.272 -11.214 262 H GLN 39 H GLN 39 5.910 -0.528 -12.479 263 HA GLN 39 HA GLN 39 4.071 -0.244 -13.797 264 HB2 GLN 39 1HB GLN 39 4.348 -0.828 -16.090 265 HB3 GLN 39 2HB GLN 39 5.946 -0.443 -15.465 266 HG2 GLN 39 1HG GLN 39 6.666 -2.617 -15.573 267 HG3 GLN 39 2HG GLN 39 5.035 -3.276 -15.459 268 HE21 GLN 39 2HE2 GLN 39 4.730 -3.680 -18.861 269 HE22 GLN 39 1HE2 GLN 39 4.260 -4.103 -17.254 270 H ALA 40 H ALA 40 3.896 -2.367 -11.865 271 HA ALA 40 HA ALA 40 2.097 -4.236 -13.266 272 HB1 ALA 40 3HB ALA 40 4.125 -5.214 -12.140 273 HB2 ALA 40 1HB ALA 40 3.410 -4.725 -10.603 274 HB3 ALA 40 2HB ALA 40 2.576 -5.888 -11.633 275 H ARG 41 H ARG 41 0.056 -4.611 -12.450 276 HA ARG 41 HA ARG 41 -1.039 -2.499 -10.821 277 HB2 ARG 41 1HB ARG 41 -2.134 -4.742 -12.445 278 HB3 ARG 41 2HB ARG 41 -3.145 -4.096 -11.160 279 HG2 ARG 41 1HG ARG 41 -3.438 -2.093 -12.203 280 HG3 ARG 41 2HG ARG 41 -1.885 -2.175 -13.037 281 HD2 ARG 41 1HD ARG 41 -3.449 -2.477 -14.740 282 HD3 ARG 41 2HD ARG 41 -2.920 -4.114 -14.357 283 HE ARG 41 HE ARG 41 -5.175 -3.526 -12.807 284 HH11 ARG 41 2HH1 ARG 41 -4.302 -4.040 -16.138 285 HH12 ARG 41 1HH1 ARG 41 -5.859 -4.651 -16.588 286 HH21 ARG 41 1HH2 ARG 41 -7.524 -4.815 -15.022 287 HH22 ARG 41 2HH2 ARG 41 -7.229 -4.330 -13.387 288 H LEU 42 H LEU 42 -0.753 -2.595 -8.687 289 HA LEU 42 HA LEU 42 -0.694 -5.167 -7.324 290 HB2 LEU 42 1HB LEU 42 0.107 -2.389 -6.670 291 HB3 LEU 42 2HB LEU 42 -0.373 -3.428 -5.329 292 HG LEU 42 HG LEU 42 1.951 -3.758 -7.208 293 HD11 LEU 42 1HD1 LEU 42 3.191 -3.074 -5.493 294 HD12 LEU 42 2HD1 LEU 42 2.366 -4.153 -4.369 295 HD13 LEU 42 3HD1 LEU 42 1.687 -2.565 -4.725 296 HD21 LEU 42 3HD2 LEU 42 0.508 -5.799 -5.592 297 HD22 LEU 42 1HD2 LEU 42 2.268 -5.875 -5.675 298 HD23 LEU 42 2HD2 LEU 42 1.311 -5.954 -7.155 299 H PHE 43 H PHE 43 -1.883 -5.344 -5.219 300 HA PHE 43 HA PHE 43 -4.522 -4.045 -5.390 301 HB2 PHE 43 1HB PHE 43 -5.171 -6.166 -5.946 302 HB3 PHE 43 2HB PHE 43 -3.801 -6.914 -5.132 303 HD1 PHE 43 2HD PHE 43 -6.211 -4.536 -3.645 304 HD2 PHE 43 1HD PHE 43 -4.892 -8.576 -3.887 305 HE1 PHE 43 2HE PHE 43 -7.664 -5.121 -1.747 306 HE2 PHE 43 1HE PHE 43 -6.344 -9.167 -1.990 307 HZ PHE 43 HZ PHE 43 -7.731 -7.438 -0.917 308 H PHE 44 H PHE 44 -4.604 -2.645 -3.756 309 HA PHE 44 HA PHE 44 -3.466 -3.426 -1.162 310 HB2 PHE 44 1HB PHE 44 -3.013 -1.215 -0.729 311 HB3 PHE 44 2HB PHE 44 -2.905 -1.197 -2.486 312 HD1 PHE 44 1HD PHE 44 -4.674 -0.199 -3.832 313 HD2 PHE 44 2HD PHE 44 -4.808 -0.120 0.422 314 HE1 PHE 44 1HE PHE 44 -6.405 1.547 -3.922 315 HE2 PHE 44 2HE PHE 44 -6.539 1.626 0.339 316 HZ PHE 44 HZ PHE 44 -7.341 2.461 -1.835 317 H HIS 45 H HIS 45 -4.686 -3.433 0.683 318 HA HIS 45 HA HIS 45 -7.581 -3.394 0.285 319 HB2 HIS 45 1HB HIS 45 -6.047 -5.210 1.552 320 HB3 HIS 45 2HB HIS 45 -6.441 -4.163 2.913 321 HD1 HIS 45 1HD HIS 45 -9.334 -3.509 2.440 322 HD2 HIS 45 2HD HIS 45 -7.752 -7.294 1.780 323 HE1 HIS 45 1HE HIS 45 -11.287 -5.087 2.574 324 HE2 HIS 45 2HE HIS 45 -10.293 -7.379 2.256 325 H CYS 46 H CYS 46 -8.955 -2.037 1.346 326 HA CYS 46 HA CYS 46 -8.155 0.502 2.052 327 HB2 CYS 46 1HB CYS 46 -10.601 -1.075 2.844 328 HB3 CYS 46 2HB CYS 46 -10.387 0.615 3.285 329 HG CYS 46 HG CYS 46 -12.088 -0.011 0.935 330 H SER 47 H SER 47 -7.958 -2.383 3.895 331 HA SER 47 HA SER 47 -7.886 -1.150 6.480 332 HB2 SER 47 1HB SER 47 -8.417 -3.631 5.832 333 HB3 SER 47 2HB SER 47 -6.666 -3.833 5.912 334 HG SER 47 HG SER 47 -7.178 -4.173 7.954 335 H GLN 48 H GLN 48 -5.547 -1.955 4.019 336 HA GLN 48 HA GLN 48 -3.209 -1.809 5.572 337 HB2 GLN 48 1HB GLN 48 -3.507 -1.065 2.659 338 HB3 GLN 48 2HB GLN 48 -2.024 -1.539 3.477 339 HG2 GLN 48 1HG GLN 48 -4.429 -3.295 3.036 340 HG3 GLN 48 2HG GLN 48 -2.926 -3.346 2.116 341 HE21 GLN 48 2HE2 GLN 48 -2.996 -5.943 4.822 342 HE22 GLN 48 1HE2 GLN 48 -4.115 -5.486 3.587 343 H TYR 49 H TYR 49 -4.852 0.670 3.621 344 HA TYR 49 HA TYR 49 -3.156 2.790 3.930 345 HB2 TYR 49 1HB TYR 49 -5.297 2.774 2.624 346 HB3 TYR 49 2HB TYR 49 -6.165 2.997 4.138 347 HD1 TYR 49 2HD TYR 49 -2.979 4.582 3.056 348 HD2 TYR 49 1HD TYR 49 -7.112 5.124 3.907 349 HE1 TYR 49 2HE TYR 49 -2.695 7.017 2.855 350 HE2 TYR 49 1HE TYR 49 -6.840 7.560 3.708 351 HH TYR 49 HH TYR 49 -3.759 8.990 2.725 352 H ASN 50 H ASN 50 -2.755 4.355 5.453 353 HA ASN 50 HA ASN 50 -3.412 3.634 8.190 354 HB2 ASN 50 1HB ASN 50 -1.680 5.107 8.857 355 HB3 ASN 50 2HB ASN 50 -1.084 4.313 7.402 356 HD21 ASN 50 2HD2 ASN 50 -0.836 8.162 7.505 357 HD22 ASN 50 1HD2 ASN 50 -0.736 7.033 8.810 358 H GLY 51 H GLY 51 -3.846 6.373 5.979 359 HA2 GLY 51 1HA GLY 51 -5.329 7.907 7.916 360 HA3 GLY 51 2HA GLY 51 -5.090 8.312 6.222 361 H ASN 52 H ASN 52 -7.298 8.940 6.102 362 HA ASN 52 HA ASN 52 -9.256 6.769 6.318 363 HB2 ASN 52 1HB ASN 52 -9.575 9.096 7.399 364 HB3 ASN 52 2HB ASN 52 -9.923 9.650 5.764 365 HD21 ASN 52 2HD2 ASN 52 -13.232 8.972 6.745 366 HD22 ASN 52 1HD2 ASN 52 -12.016 10.193 6.617 367 H LEU 53 H LEU 53 -9.908 5.742 4.554 368 HA LEU 53 HA LEU 53 -8.969 6.041 2.022 369 HB2 LEU 53 1HB LEU 53 -11.414 4.860 3.181 370 HB3 LEU 53 2HB LEU 53 -11.443 5.153 1.444 371 HG LEU 53 HG LEU 53 -10.764 2.837 2.163 372 HD11 LEU 53 1HD1 LEU 53 -8.434 3.854 0.697 373 HD12 LEU 53 2HD1 LEU 53 -9.998 4.327 0.035 374 HD13 LEU 53 3HD1 LEU 53 -9.612 2.620 0.250 375 HD21 LEU 53 3HD2 LEU 53 -9.175 2.585 3.688 376 HD22 LEU 53 1HD2 LEU 53 -8.938 4.332 3.752 377 HD23 LEU 53 2HD2 LEU 53 -8.017 3.359 2.605 378 H GLN 54 H GLN 54 -11.607 7.810 3.510 379 HA GLN 54 HA GLN 54 -12.859 8.954 1.358 380 HB2 GLN 54 1HB GLN 54 -12.136 10.294 3.969 381 HB3 GLN 54 2HB GLN 54 -13.335 10.888 2.828 382 HG2 GLN 54 1HG GLN 54 -13.529 8.158 4.050 383 HG3 GLN 54 2HG GLN 54 -14.166 9.593 4.853 384 HE21 GLN 54 2HE2 GLN 54 -17.160 8.809 3.247 385 HE22 GLN 54 1HE2 GLN 54 -16.276 8.836 4.731 386 H ASP 55 H ASP 55 -9.865 10.044 2.919 387 HA ASP 55 HA ASP 55 -9.492 12.297 1.233 388 HB2 ASP 55 1HB ASP 55 -8.383 12.273 3.354 389 HB3 ASP 55 2HB ASP 55 -7.591 10.742 2.991 390 H LEU 56 H LEU 56 -8.418 8.946 1.095 391 HA LEU 56 HA LEU 56 -6.633 9.288 -1.089 392 HB2 LEU 56 1HB LEU 56 -6.953 7.332 0.654 393 HB3 LEU 56 2HB LEU 56 -8.008 6.693 -0.605 394 HG LEU 56 HG LEU 56 -6.116 6.731 -2.181 395 HD11 LEU 56 1HD1 LEU 56 -4.027 6.983 -0.201 396 HD12 LEU 56 2HD1 LEU 56 -4.975 8.463 -0.336 397 HD13 LEU 56 3HD1 LEU 56 -4.202 7.779 -1.765 398 HD21 LEU 56 3HD2 LEU 56 -6.319 5.084 0.210 399 HD22 LEU 56 1HD2 LEU 56 -4.693 5.110 -0.472 400 HD23 LEU 56 2HD2 LEU 56 -6.060 4.616 -1.471 401 H LYS 57 H LYS 57 -6.906 8.686 -3.269 402 HA LYS 57 HA LYS 57 -9.566 8.084 -4.250 403 HB2 LYS 57 1HB LYS 57 -9.342 10.044 -5.916 404 HB3 LYS 57 2HB LYS 57 -9.884 10.396 -4.280 405 HG2 LYS 57 1HG LYS 57 -7.823 11.328 -3.675 406 HG3 LYS 57 2HG LYS 57 -7.001 10.626 -5.071 407 HD2 LYS 57 1HD LYS 57 -7.249 12.775 -5.809 408 HD3 LYS 57 2HD LYS 57 -8.764 12.085 -6.394 409 HE2 LYS 57 1HE LYS 57 -9.520 13.995 -5.365 410 HE3 LYS 57 2HE LYS 57 -9.658 12.828 -4.050 411 HZ1 LYS 57 3HZ LYS 57 -7.075 14.008 -4.098 412 HZ2 LYS 57 1HZ LYS 57 -8.214 13.977 -2.847 413 HZ3 LYS 57 2HZ LYS 57 -8.270 15.202 -4.011 414 H VAL 58 H VAL 58 -9.492 8.007 -6.754 415 HA VAL 58 HA VAL 58 -7.234 6.338 -7.456 416 HB VAL 58 HB VAL 58 -9.732 7.079 -8.980 417 HG11 VAL 58 1HG1 VAL 58 -8.836 6.284 -10.849 418 HG12 VAL 58 2HG1 VAL 58 -7.283 6.158 -10.021 419 HG13 VAL 58 3HG1 VAL 58 -8.390 4.785 -10.036 420 HG21 VAL 58 3HG2 VAL 58 -10.432 4.819 -8.536 421 HG22 VAL 58 1HG2 VAL 58 -8.887 4.451 -7.767 422 HG23 VAL 58 2HG2 VAL 58 -10.000 5.591 -7.011 423 H GLY 59 H GLY 59 -5.493 6.979 -8.545 424 HA2 GLY 59 1HA GLY 59 -4.442 8.097 -10.377 425 HA3 GLY 59 2HA GLY 59 -5.699 9.323 -10.307 426 H ASP 60 H ASP 60 -4.265 8.266 -7.349 427 HA ASP 60 HA ASP 60 -2.649 10.729 -7.260 428 HB2 ASP 60 1HB ASP 60 -4.481 9.551 -5.184 429 HB3 ASP 60 2HB ASP 60 -3.161 10.624 -4.727 430 H ASP 61 H ASP 61 -0.673 10.631 -6.206 431 HA ASP 61 HA ASP 61 0.621 8.097 -6.232 432 HB2 ASP 61 1HB ASP 61 1.432 10.888 -5.516 433 HB3 ASP 61 2HB ASP 61 2.476 9.546 -5.056 434 H VAL 62 H VAL 62 1.310 6.808 -4.564 435 HA VAL 62 HA VAL 62 0.873 7.594 -1.812 436 HB VAL 62 HB VAL 62 -0.409 5.339 -1.475 437 HG11 VAL 62 1HG1 VAL 62 -2.016 6.748 -0.874 438 HG12 VAL 62 2HG1 VAL 62 -1.172 8.035 -1.738 439 HG13 VAL 62 3HG1 VAL 62 -2.404 7.079 -2.562 440 HG21 VAL 62 3HG2 VAL 62 -0.817 5.932 -4.387 441 HG22 VAL 62 1HG2 VAL 62 -0.419 4.399 -3.610 442 HG23 VAL 62 2HG2 VAL 62 -2.039 5.076 -3.446 443 H GLU 63 H GLU 63 2.059 6.390 -0.351 444 HA GLU 63 HA GLU 63 4.009 4.563 -1.559 445 HB2 GLU 63 1HB GLU 63 4.716 6.617 -0.215 446 HB3 GLU 63 2HB GLU 63 4.146 5.753 1.206 447 HG2 GLU 63 1HG GLU 63 5.723 3.864 0.243 448 HG3 GLU 63 2HG GLU 63 6.517 5.251 -0.501 449 H PHE 64 H PHE 64 4.153 2.466 -1.001 450 HA PHE 64 HA PHE 64 2.745 1.492 1.361 451 HB2 PHE 64 1HB PHE 64 1.730 -0.365 -0.031 452 HB3 PHE 64 2HB PHE 64 1.027 1.232 -0.268 453 HD1 PHE 64 2HD PHE 64 3.064 -1.412 -1.759 454 HD2 PHE 64 1HD PHE 64 1.317 2.425 -2.343 455 HE1 PHE 64 2HE PHE 64 3.478 -1.595 -4.178 456 HE2 PHE 64 1HE PHE 64 1.727 2.248 -4.763 457 HZ PHE 64 HZ PHE 64 2.810 0.236 -5.683 458 H GLU 65 H GLU 65 3.091 -1.036 1.439 459 HA GLU 65 HA GLU 65 5.909 -1.547 0.741 460 HB2 GLU 65 1HB GLU 65 6.057 -1.459 3.029 461 HB3 GLU 65 2HB GLU 65 4.395 -1.983 3.265 462 HG2 GLU 65 1HG GLU 65 4.928 -4.193 3.192 463 HG3 GLU 65 2HG GLU 65 6.312 -3.939 2.130 464 H VAL 66 H VAL 66 6.128 -3.099 -0.714 465 HA VAL 66 HA VAL 66 3.993 -4.840 -1.443 466 HB VAL 66 HB VAL 66 6.909 -4.895 -2.230 467 HG11 VAL 66 1HG1 VAL 66 6.373 -6.452 -3.919 468 HG12 VAL 66 2HG1 VAL 66 5.635 -7.079 -2.444 469 HG13 VAL 66 3HG1 VAL 66 4.640 -6.264 -3.652 470 HG21 VAL 66 3HG2 VAL 66 5.903 -4.003 -4.401 471 HG22 VAL 66 1HG2 VAL 66 4.459 -3.657 -3.449 472 HG23 VAL 66 2HG2 VAL 66 5.992 -2.889 -3.037 473 H SER 67 H SER 67 3.403 -6.634 -0.437 474 HA SER 67 HA SER 67 5.468 -8.285 0.851 475 HB2 SER 67 1HB SER 67 3.912 -6.819 2.402 476 HB3 SER 67 2HB SER 67 2.751 -8.109 2.091 477 HG SER 67 HG SER 67 4.031 -8.510 3.954 478 H SER 68 H SER 68 4.290 -10.467 1.560 479 HA SER 68 HA SER 68 2.842 -11.411 -0.827 480 HB2 SER 68 1HB SER 68 4.612 -13.038 1.013 481 HB3 SER 68 2HB SER 68 3.861 -13.589 -0.484 482 HG SER 68 HG SER 68 5.133 -12.015 -1.584 483 H ASP 69 H ASP 69 0.865 -12.209 -0.551 484 HA ASP 69 HA ASP 69 -0.459 -12.114 1.926 485 HB2 ASP 69 1HB ASP 69 -1.498 -11.998 -0.391 486 HB3 ASP 69 2HB ASP 69 -1.343 -13.752 -0.451 487 H ARG 70 H ARG 70 -1.699 -14.068 2.804 488 HA ARG 70 HA ARG 70 0.245 -16.226 3.219 489 HB2 ARG 70 1HB ARG 70 -2.022 -15.135 4.854 490 HB3 ARG 70 2HB ARG 70 -1.422 -16.761 5.149 491 HG2 ARG 70 1HG ARG 70 -0.439 -15.020 6.622 492 HG3 ARG 70 2HG ARG 70 0.750 -15.939 5.696 493 HD2 ARG 70 1HD ARG 70 -0.274 -13.452 4.462 494 HD3 ARG 70 2HD ARG 70 0.771 -13.266 5.870 495 HE ARG 70 HE ARG 70 1.616 -13.873 3.277 496 HH11 ARG 70 2HH1 ARG 70 2.126 -14.955 6.546 497 HH12 ARG 70 1HH1 ARG 70 3.743 -15.502 6.251 498 HH21 ARG 70 1HH2 ARG 70 4.663 -15.293 4.164 499 HH22 ARG 70 2HH2 ARG 70 3.744 -14.590 2.876 500 H ARG 71 H ARG 71 -2.624 -15.549 1.586 501 HA ARG 71 HA ARG 71 -3.496 -18.347 1.590 502 HB2 ARG 71 1HB ARG 71 -4.875 -15.960 0.355 503 HB3 ARG 71 2HB ARG 71 -5.553 -17.564 0.600 504 HG2 ARG 71 1HG ARG 71 -4.711 -15.689 2.800 505 HG3 ARG 71 2HG ARG 71 -6.367 -15.923 2.235 506 HD2 ARG 71 1HD ARG 71 -6.045 -18.383 2.773 507 HD3 ARG 71 2HD ARG 71 -4.571 -17.903 3.614 508 HE ARG 71 HE ARG 71 -6.825 -16.394 4.484 509 HH11 ARG 71 2HH1 ARG 71 -5.226 -19.469 4.809 510 HH12 ARG 71 1HH1 ARG 71 -5.849 -19.772 6.398 511 HH21 ARG 71 1HH2 ARG 71 -7.229 -18.243 7.400 512 HH22 ARG 71 2HH2 ARG 71 -7.652 -16.782 6.574 513 H THR 72 H THR 72 -3.103 -15.736 -0.812 514 HA THR 72 HA THR 72 -2.615 -17.743 -2.877 515 HB THR 72 HB THR 72 -2.912 -16.006 -4.492 516 HG1 THR 72 1HG THR 72 -2.452 -14.333 -2.283 517 HG21 THR 72 3HG2 THR 72 -4.871 -15.815 -2.212 518 HG22 THR 72 1HG2 THR 72 -5.008 -16.772 -3.686 519 HG23 THR 72 2HG2 THR 72 -5.126 -15.014 -3.762 520 H GLY 73 H GLY 73 -0.907 -15.544 -0.876 521 HA2 GLY 73 1HA GLY 73 1.347 -15.151 -0.653 522 HA3 GLY 73 2HA GLY 73 1.618 -16.460 -1.794 523 H LYS 74 H LYS 74 -0.454 -14.067 -2.996 524 HA LYS 74 HA LYS 74 1.460 -13.282 -4.979 525 HB2 LYS 74 1HB LYS 74 -1.317 -12.219 -4.425 526 HB3 LYS 74 2HB LYS 74 -0.362 -11.883 -5.863 527 HG2 LYS 74 1HG LYS 74 -0.953 -14.712 -5.141 528 HG3 LYS 74 2HG LYS 74 -2.210 -13.725 -5.890 529 HD2 LYS 74 1HD LYS 74 -1.089 -13.564 -7.878 530 HD3 LYS 74 2HD LYS 74 0.498 -13.716 -7.120 531 HE2 LYS 74 1HE LYS 74 -0.289 -16.138 -6.588 532 HE3 LYS 74 2HE LYS 74 -1.460 -15.850 -7.874 533 HZ1 LYS 74 3HZ LYS 74 0.516 -15.184 -9.271 534 HZ2 LYS 74 1HZ LYS 74 0.389 -16.830 -8.898 535 HZ3 LYS 74 2HZ LYS 74 1.493 -15.857 -8.065 536 HA PRO 75 HA PRO 75 3.125 -9.650 -3.158 537 HB2 PRO 75 2HB PRO 75 4.506 -9.512 -4.989 538 HB3 PRO 75 1HB PRO 75 3.510 -8.098 -5.353 539 HG2 PRO 75 1HG PRO 75 2.196 -9.257 -6.876 540 HG3 PRO 75 2HG PRO 75 3.746 -10.086 -7.111 541 HD2 PRO 75 1HD PRO 75 1.470 -11.406 -6.471 542 HD3 PRO 75 2HD PRO 75 3.073 -11.948 -5.931 543 H ILE 76 H ILE 76 1.454 -8.800 -1.920 544 HA ILE 76 HA ILE 76 -0.348 -6.905 -3.271 545 HB ILE 76 HB ILE 76 -1.765 -7.061 -1.244 546 HG12 ILE 76 1HG1 ILE 76 -0.237 -9.496 -0.409 547 HG13 ILE 76 2HG1 ILE 76 0.329 -7.912 0.110 548 HG21 ILE 76 1HG2 ILE 76 -2.369 -8.406 -3.118 549 HG22 ILE 76 2HG2 ILE 76 -1.154 -9.617 -2.713 550 HG23 ILE 76 3HG2 ILE 76 -2.559 -9.396 -1.672 551 HD11 ILE 76 3HD1 ILE 76 -1.329 -7.669 1.592 552 HD12 ILE 76 1HD1 ILE 76 -2.531 -8.399 0.527 553 HD13 ILE 76 2HD1 ILE 76 -1.445 -9.424 1.465 554 H ALA 77 H ALA 77 -0.955 -4.975 -1.951 555 HA ALA 77 HA ALA 77 1.467 -3.821 -0.784 556 HB1 ALA 77 3HB ALA 77 -0.426 -2.825 -2.555 557 HB2 ALA 77 1HB ALA 77 -0.757 -1.992 -1.036 558 HB3 ALA 77 2HB ALA 77 0.853 -1.915 -1.752 559 H VAL 78 H VAL 78 1.495 -2.811 1.232 560 HA VAL 78 HA VAL 78 -0.866 -3.073 2.936 561 HB VAL 78 HB VAL 78 0.449 -4.066 4.768 562 HG11 VAL 78 1HG1 VAL 78 -0.892 -5.436 3.137 563 HG12 VAL 78 2HG1 VAL 78 0.626 -5.801 2.314 564 HG13 VAL 78 3HG1 VAL 78 0.385 -6.307 3.986 565 HG21 VAL 78 3HG2 VAL 78 2.671 -3.888 4.641 566 HG22 VAL 78 1HG2 VAL 78 2.613 -5.253 3.525 567 HG23 VAL 78 2HG2 VAL 78 2.626 -3.604 2.901 568 H LYS 79 H LYS 79 -0.474 -2.007 5.104 569 HA LYS 79 HA LYS 79 -0.214 0.046 6.099 570 HB2 LYS 79 1HB LYS 79 2.683 -0.371 5.370 571 HB3 LYS 79 2HB LYS 79 2.036 0.470 6.772 572 HG2 LYS 79 1HG LYS 79 1.564 -2.457 6.317 573 HG3 LYS 79 2HG LYS 79 3.001 -1.849 7.143 574 HD2 LYS 79 1HD LYS 79 1.641 -2.166 8.949 575 HD3 LYS 79 2HD LYS 79 1.182 -0.513 8.533 576 HE2 LYS 79 1HE LYS 79 -0.602 -1.677 7.036 577 HE3 LYS 79 2HE LYS 79 -0.302 -3.070 8.075 578 HZ1 LYS 79 3HZ LYS 79 -0.843 -0.462 9.312 579 HZ2 LYS 79 1HZ LYS 79 -1.169 -2.017 9.895 580 HZ3 LYS 79 2HZ LYS 79 -2.137 -1.350 8.679 581 H LEU 80 H LEU 80 -1.173 0.593 3.686 582 HA LEU 80 HA LEU 80 0.440 2.162 1.992 583 HB2 LEU 80 1HB LEU 80 -2.124 1.193 1.930 584 HB3 LEU 80 2HB LEU 80 -2.378 2.928 2.102 585 HG LEU 80 HG LEU 80 -0.579 2.899 0.086 586 HD11 LEU 80 1HD1 LEU 80 -2.320 0.656 -0.759 587 HD12 LEU 80 2HD1 LEU 80 -0.946 0.274 0.279 588 HD13 LEU 80 3HD1 LEU 80 -0.686 1.081 -1.268 589 HD21 LEU 80 3HD2 LEU 80 -3.405 2.444 -0.689 590 HD22 LEU 80 1HD2 LEU 80 -2.285 3.718 -1.172 591 HD23 LEU 80 2HD2 LEU 80 -3.065 3.783 0.409 592 H VAL 81 H VAL 81 0.528 4.429 1.719 593 HA VAL 81 HA VAL 81 -0.631 6.197 3.665 594 HB VAL 81 HB VAL 81 1.262 5.345 4.968 595 HG11 VAL 81 1HG1 VAL 81 2.635 4.921 2.825 596 HG12 VAL 81 2HG1 VAL 81 3.148 6.600 3.007 597 HG13 VAL 81 3HG1 VAL 81 3.482 5.430 4.285 598 HG21 VAL 81 3HG2 VAL 81 2.505 7.751 4.959 599 HG22 VAL 81 1HG2 VAL 81 0.993 8.155 4.145 600 HG23 VAL 81 2HG2 VAL 81 0.963 7.435 5.754 601 H LYS 82 H LYS 82 -1.093 8.009 2.620 602 HA LYS 82 HA LYS 82 -0.312 8.547 -0.006 603 HB2 LYS 82 1HB LYS 82 -2.255 9.506 1.515 604 HB3 LYS 82 2HB LYS 82 -1.094 10.798 1.793 605 HG2 LYS 82 1HG LYS 82 -1.228 11.571 -0.343 606 HG3 LYS 82 2HG LYS 82 -1.605 9.982 -1.013 607 HD2 LYS 82 1HD LYS 82 -3.861 10.125 -0.355 608 HD3 LYS 82 2HD LYS 82 -3.541 11.474 0.738 609 HE2 LYS 82 1HE LYS 82 -3.117 11.683 -2.229 610 HE3 LYS 82 2HE LYS 82 -4.682 12.003 -1.484 611 HZ1 LYS 82 3HZ LYS 82 -2.142 13.416 -0.873 612 HZ2 LYS 82 1HZ LYS 82 -3.628 13.708 -0.119 613 HZ3 LYS 82 2HZ LYS 82 -3.437 14.039 -1.767 614 H ILE 83 H ILE 83 1.384 9.555 -0.900 615 HA ILE 83 HA ILE 83 3.688 10.130 0.648 616 HB ILE 83 HB ILE 83 3.309 11.158 -2.145 617 HG12 ILE 83 1HG1 ILE 83 3.515 8.312 -1.228 618 HG13 ILE 83 2HG1 ILE 83 2.511 9.001 -2.499 619 HG21 ILE 83 1HG2 ILE 83 5.743 9.785 -1.117 620 HG22 ILE 83 2HG2 ILE 83 5.595 11.087 -2.296 621 HG23 ILE 83 3HG2 ILE 83 5.399 11.429 -0.577 622 HD11 ILE 83 3HD1 ILE 83 4.042 7.929 -3.776 623 HD12 ILE 83 1HD1 ILE 83 4.873 9.473 -3.592 624 HD13 ILE 83 2HD1 ILE 83 5.327 8.101 -2.581 625 H SER 84 H SER 84 1.515 12.258 -1.213 626 HA SER 84 HA SER 84 2.508 14.522 0.388 627 HB2 SER 84 1HB SER 84 2.981 14.908 -1.927 628 HB3 SER 84 2HB SER 84 1.351 14.432 -2.403 629 HG SER 84 HG SER 84 2.170 16.844 -1.897 630 H GLY 85 H GLY 85 0.715 16.374 0.310 631 HA2 GLY 85 1HA GLY 85 -1.961 16.024 0.233 632 HA3 GLY 85 2HA GLY 85 -1.530 15.257 1.754 633 HA PRO 86 HA PRO 86 -1.223 20.123 1.833 634 HB2 PRO 86 2HB PRO 86 -2.422 20.886 0.027 635 HB3 PRO 86 1HB PRO 86 -3.693 21.083 1.239 636 HG2 PRO 86 1HG PRO 86 -4.742 19.098 0.645 637 HG3 PRO 86 2HG PRO 86 -4.100 19.593 -0.932 638 HD2 PRO 86 1HD PRO 86 -3.549 17.184 0.175 639 HD3 PRO 86 2HD PRO 86 -2.395 18.043 -0.864 640 H SER 87 H SER 87 -2.568 21.624 3.291 641 HA SER 87 HA SER 87 -3.964 20.022 5.333 642 HB2 SER 87 1HB SER 87 -2.003 22.289 5.746 643 HB3 SER 87 2HB SER 87 -2.995 21.595 7.028 644 HG SER 87 HG SER 87 -1.447 20.196 7.215 645 H SER 88 H SER 88 -5.934 20.705 5.866 646 HA SER 88 HA SER 88 -6.873 23.238 4.750 647 HB2 SER 88 1HB SER 88 -8.177 21.181 4.296 648 HB3 SER 88 2HB SER 88 -8.449 20.989 6.028 649 HG SER 88 HG SER 88 -9.519 22.862 4.247 650 H GLY 89 H GLY 89 -7.398 21.456 7.803 651 HA2 GLY 89 1HA GLY 89 -6.493 23.025 9.719 652 HA3 GLY 89 2HA GLY 89 -7.841 24.006 9.164 Start of MODEL 12 1 H1 GLY 1 H GLY 1 38.406 -30.740 1.016 2 HA2 GLY 1 1HA GLY 1 36.354 -31.836 -0.328 3 HA3 GLY 1 2HA GLY 1 36.019 -32.360 1.316 4 H SER 2 H SER 2 34.029 -31.032 0.613 5 HA SER 2 HA SER 2 34.148 -28.231 0.473 6 HB2 SER 2 1HB SER 2 31.942 -30.125 1.286 7 HB3 SER 2 2HB SER 2 31.706 -28.379 1.205 8 HG SER 2 HG SER 2 32.575 -30.031 -0.936 9 H SER 3 H SER 3 33.004 -26.812 2.162 10 HA SER 3 HA SER 3 33.838 -27.574 4.878 11 HB2 SER 3 1HB SER 3 34.567 -25.122 3.321 12 HB3 SER 3 2HB SER 3 34.373 -25.001 5.070 13 HG SER 3 HG SER 3 36.445 -25.958 3.689 14 H GLY 4 H GLY 4 31.247 -27.822 3.901 15 HA2 GLY 4 1HA GLY 4 29.084 -27.305 4.468 16 HA3 GLY 4 2HA GLY 4 29.762 -26.461 5.852 17 H SER 5 H SER 5 30.224 -25.755 2.414 18 HA SER 5 HA SER 5 29.844 -22.985 2.754 19 HB2 SER 5 1HB SER 5 30.976 -24.397 0.815 20 HB3 SER 5 2HB SER 5 29.378 -24.245 0.084 21 HG SER 5 HG SER 5 30.871 -22.044 1.067 22 H SER 6 H SER 6 27.846 -22.857 3.913 23 HA SER 6 HA SER 6 25.479 -23.172 2.185 24 HB2 SER 6 1HB SER 6 25.892 -23.765 5.085 25 HB3 SER 6 2HB SER 6 24.304 -23.207 4.559 26 HG SER 6 HG SER 6 25.464 -25.634 4.247 27 H GLY 7 H GLY 7 26.468 -21.407 5.131 28 HA2 GLY 7 1HA GLY 7 26.084 -19.240 5.788 29 HA3 GLY 7 2HA GLY 7 26.310 -18.841 4.091 30 H GLY 8 H GLY 8 24.749 -17.270 3.951 31 HA2 GLY 8 1HA GLY 8 22.120 -17.569 4.994 32 HA3 GLY 8 2HA GLY 8 22.643 -16.352 3.839 33 H TYR 9 H TYR 9 20.137 -17.643 3.762 34 HA TYR 9 HA TYR 9 20.220 -18.652 1.061 35 HB2 TYR 9 1HB TYR 9 19.387 -20.808 1.423 36 HB3 TYR 9 2HB TYR 9 20.610 -20.632 2.677 37 HD1 TYR 9 2HD TYR 9 16.965 -20.548 2.032 38 HD2 TYR 9 1HD TYR 9 20.036 -20.769 4.969 39 HE1 TYR 9 2HE TYR 9 15.283 -21.097 3.740 40 HE2 TYR 9 1HE TYR 9 18.362 -21.320 6.685 41 HH TYR 9 HH TYR 9 15.520 -20.750 6.734 42 HA PRO 10 HA PRO 10 18.651 -19.872 -0.183 43 HB2 PRO 10 2HB PRO 10 16.663 -19.867 -1.335 44 HB3 PRO 10 1HB PRO 10 17.538 -18.753 -2.392 45 HG2 PRO 10 1HG PRO 10 16.572 -16.876 -1.426 46 HG3 PRO 10 2HG PRO 10 15.237 -18.032 -1.260 47 HD2 PRO 10 1HD PRO 10 16.278 -16.694 0.852 48 HD3 PRO 10 2HD PRO 10 15.614 -18.334 0.994 49 H ASN 11 H ASN 11 18.459 -16.352 -0.667 50 HA ASN 11 HA ASN 11 21.235 -16.421 -1.641 51 HB2 ASN 11 1HB ASN 11 19.498 -16.046 -3.466 52 HB3 ASN 11 2HB ASN 11 19.155 -14.502 -2.690 53 HD21 ASN 11 2HD2 ASN 11 22.873 -15.029 -4.331 54 HD22 ASN 11 1HD2 ASN 11 22.073 -16.341 -3.541 55 H GLY 12 H GLY 12 21.724 -15.941 0.616 56 HA2 GLY 12 1HA GLY 12 22.410 -14.463 2.233 57 HA3 GLY 12 2HA GLY 12 22.197 -13.193 1.037 58 H THR 13 H THR 13 21.420 -11.801 2.685 59 HA THR 13 HA THR 13 19.028 -12.495 4.137 60 HB THR 13 HB THR 13 19.139 -10.223 5.047 61 HG1 THR 13 1HG THR 13 20.005 -9.290 3.041 62 HG21 THR 13 3HG2 THR 13 21.990 -10.961 5.161 63 HG22 THR 13 1HG2 THR 13 20.856 -12.245 5.580 64 HG23 THR 13 2HG2 THR 13 20.829 -10.719 6.465 65 H SER 14 H SER 14 17.021 -11.357 3.991 66 HA SER 14 HA SER 14 16.530 -10.153 1.346 67 HB2 SER 14 1HB SER 14 15.564 -12.440 1.556 68 HB3 SER 14 2HB SER 14 14.598 -11.873 2.919 69 HG SER 14 HG SER 14 13.286 -10.898 1.584 70 H ALA 15 H ALA 15 16.036 -8.080 1.534 71 HA ALA 15 HA ALA 15 14.498 -7.206 3.893 72 HB1 ALA 15 3HB ALA 15 16.629 -6.231 4.108 73 HB2 ALA 15 1HB ALA 15 16.700 -5.815 2.395 74 HB3 ALA 15 2HB ALA 15 15.594 -4.955 3.467 75 H ALA 16 H ALA 16 13.116 -5.310 3.541 76 HA ALA 16 HA ALA 16 12.061 -5.237 0.788 77 HB1 ALA 16 3HB ALA 16 10.616 -5.128 3.422 78 HB2 ALA 16 1HB ALA 16 9.868 -4.629 1.904 79 HB3 ALA 16 2HB ALA 16 10.420 -6.292 2.111 80 H LEU 17 H LEU 17 10.668 -3.175 0.465 81 HA LEU 17 HA LEU 17 11.587 -0.836 1.883 82 HB2 LEU 17 1HB LEU 17 12.877 0.145 0.288 83 HB3 LEU 17 2HB LEU 17 13.271 -1.547 -0.009 84 HG LEU 17 HG LEU 17 12.980 -0.500 -2.121 85 HD11 LEU 17 1HD1 LEU 17 11.329 -2.613 -1.233 86 HD12 LEU 17 2HD1 LEU 17 11.916 -2.293 -2.864 87 HD13 LEU 17 3HD1 LEU 17 10.373 -1.622 -2.335 88 HD21 LEU 17 3HD2 LEU 17 11.507 1.123 -2.593 89 HD22 LEU 17 1HD2 LEU 17 11.320 1.241 -0.843 90 HD23 LEU 17 2HD2 LEU 17 10.177 0.287 -1.790 91 H ARG 18 H ARG 18 10.237 0.913 1.630 92 HA ARG 18 HA ARG 18 7.608 0.410 0.748 93 HB2 ARG 18 1HB ARG 18 8.950 3.056 1.332 94 HB3 ARG 18 2HB ARG 18 7.216 2.802 1.185 95 HG2 ARG 18 1HG ARG 18 8.939 1.438 3.239 96 HG3 ARG 18 2HG ARG 18 8.061 2.941 3.525 97 HD2 ARG 18 1HD ARG 18 6.571 0.602 2.445 98 HD3 ARG 18 2HD ARG 18 7.024 0.597 4.149 99 HE ARG 18 HE ARG 18 5.064 2.296 2.868 100 HH11 ARG 18 2HH1 ARG 18 7.072 1.753 5.659 101 HH12 ARG 18 1HH1 ARG 18 6.101 2.729 6.711 102 HH21 ARG 18 1HH2 ARG 18 4.226 3.769 5.904 103 HH22 ARG 18 2HH2 ARG 18 3.776 3.583 4.242 104 H GLU 19 H GLU 19 6.797 0.425 -1.235 105 HA GLU 19 HA GLU 19 8.303 1.766 -3.367 106 HB2 GLU 19 1HB GLU 19 6.099 -0.286 -3.622 107 HB3 GLU 19 2HB GLU 19 7.117 0.325 -4.918 108 HG2 GLU 19 1HG GLU 19 8.336 -1.041 -2.559 109 HG3 GLU 19 2HG GLU 19 7.631 -1.979 -3.875 110 H THR 20 H THR 20 7.171 2.980 -4.981 111 HA THR 20 HA THR 20 4.601 4.081 -4.048 112 HB THR 20 HB THR 20 5.222 6.273 -4.785 113 HG1 THR 20 1HG THR 20 7.450 4.928 -5.897 114 HG21 THR 20 3HG2 THR 20 6.006 5.687 -2.556 115 HG22 THR 20 1HG2 THR 20 7.161 6.760 -3.345 116 HG23 THR 20 2HG2 THR 20 7.497 5.032 -3.233 117 H GLY 21 H GLY 21 3.050 4.542 -5.591 118 HA2 GLY 21 1HA GLY 21 3.698 4.119 -8.407 119 HA3 GLY 21 2HA GLY 21 2.541 3.010 -7.687 120 H VAL 22 H VAL 22 0.529 3.520 -8.197 121 HA VAL 22 HA VAL 22 -0.525 6.132 -7.690 122 HB VAL 22 HB VAL 22 0.611 6.233 -10.024 123 HG11 VAL 22 1HG1 VAL 22 -0.437 5.278 -11.838 124 HG12 VAL 22 2HG1 VAL 22 -0.654 4.024 -10.615 125 HG13 VAL 22 3HG1 VAL 22 -1.981 5.121 -11.001 126 HG21 VAL 22 3HG2 VAL 22 -0.658 8.077 -9.376 127 HG22 VAL 22 1HG2 VAL 22 -1.416 7.568 -10.885 128 HG23 VAL 22 2HG2 VAL 22 -2.160 7.152 -9.341 129 H ILE 23 H ILE 23 -2.636 5.990 -7.209 130 HA ILE 23 HA ILE 23 -3.912 3.495 -7.019 131 HB ILE 23 HB ILE 23 -5.294 6.177 -7.029 132 HG12 ILE 23 1HG1 ILE 23 -3.451 6.316 -5.474 133 HG13 ILE 23 2HG1 ILE 23 -4.942 6.125 -4.557 134 HG21 ILE 23 1HG2 ILE 23 -6.937 5.093 -5.630 135 HG22 ILE 23 2HG2 ILE 23 -6.737 4.176 -7.122 136 HG23 ILE 23 3HG2 ILE 23 -5.997 3.602 -5.628 137 HD11 ILE 23 3HD1 ILE 23 -3.728 4.597 -3.452 138 HD12 ILE 23 1HD1 ILE 23 -4.208 3.554 -4.790 139 HD13 ILE 23 2HD1 ILE 23 -2.626 4.334 -4.803 140 H GLU 24 H GLU 24 -4.084 2.414 -8.944 141 HA GLU 24 HA GLU 24 -5.067 3.630 -11.332 142 HB2 GLU 24 1HB GLU 24 -3.553 1.575 -11.135 143 HB3 GLU 24 2HB GLU 24 -5.016 0.672 -10.766 144 HG2 GLU 24 1HG GLU 24 -4.692 0.356 -13.049 145 HG3 GLU 24 2HG GLU 24 -5.942 1.595 -12.949 146 H LYS 25 H LYS 25 -6.476 1.505 -8.873 147 HA LYS 25 HA LYS 25 -9.135 2.396 -9.703 148 HB2 LYS 25 1HB LYS 25 -8.323 0.032 -10.630 149 HB3 LYS 25 2HB LYS 25 -8.843 -0.491 -9.033 150 HG2 LYS 25 1HG LYS 25 -10.697 1.200 -10.619 151 HG3 LYS 25 2HG LYS 25 -10.480 -0.485 -11.099 152 HD2 LYS 25 1HD LYS 25 -10.926 -1.065 -8.657 153 HD3 LYS 25 2HD LYS 25 -11.485 0.600 -8.480 154 HE2 LYS 25 1HE LYS 25 -12.565 -1.307 -10.546 155 HE3 LYS 25 2HE LYS 25 -13.276 -1.108 -8.946 156 HZ1 LYS 25 3HZ LYS 25 -13.068 0.913 -11.102 157 HZ2 LYS 25 1HZ LYS 25 -13.460 1.318 -9.507 158 HZ3 LYS 25 2HZ LYS 25 -14.472 0.291 -10.392 159 H LEU 26 H LEU 26 -10.719 2.282 -8.067 160 HA LEU 26 HA LEU 26 -9.864 1.430 -5.410 161 HB2 LEU 26 1HB LEU 26 -9.380 3.934 -5.902 162 HB3 LEU 26 2HB LEU 26 -11.122 4.128 -5.716 163 HG LEU 26 HG LEU 26 -10.628 2.853 -3.433 164 HD11 LEU 26 1HD1 LEU 26 -8.467 3.941 -2.554 165 HD12 LEU 26 2HD1 LEU 26 -8.017 4.070 -4.254 166 HD13 LEU 26 3HD1 LEU 26 -8.336 2.487 -3.545 167 HD21 LEU 26 3HD2 LEU 26 -11.561 5.206 -3.965 168 HD22 LEU 26 1HD2 LEU 26 -9.933 5.761 -3.575 169 HD23 LEU 26 2HD2 LEU 26 -10.882 4.896 -2.366 170 H LEU 27 H LEU 27 -11.504 0.686 -4.149 171 HA LEU 27 HA LEU 27 -14.250 1.033 -5.146 172 HB2 LEU 27 1HB LEU 27 -13.090 -1.516 -4.033 173 HB3 LEU 27 2HB LEU 27 -14.742 -1.279 -4.599 174 HG LEU 27 HG LEU 27 -13.623 -0.739 -6.875 175 HD11 LEU 27 1HD1 LEU 27 -11.525 -2.204 -7.092 176 HD12 LEU 27 2HD1 LEU 27 -11.398 -2.033 -5.342 177 HD13 LEU 27 3HD1 LEU 27 -11.354 -0.603 -6.372 178 HD21 LEU 27 3HD2 LEU 27 -13.521 -3.579 -5.879 179 HD22 LEU 27 1HD2 LEU 27 -13.810 -3.020 -7.527 180 HD23 LEU 27 2HD2 LEU 27 -15.018 -2.733 -6.274 181 H THR 28 H THR 28 -15.714 -0.162 -3.282 182 HA THR 28 HA THR 28 -15.413 1.576 -1.011 183 HB THR 28 HB THR 28 -17.446 -0.588 -1.585 184 HG1 THR 28 1HG THR 28 -18.709 1.553 -1.709 185 HG21 THR 28 3HG2 THR 28 -18.754 0.430 0.234 186 HG22 THR 28 1HG2 THR 28 -17.400 1.499 0.599 187 HG23 THR 28 2HG2 THR 28 -17.233 -0.243 0.819 188 H SER 29 H SER 29 -14.624 -1.699 -1.776 189 HA SER 29 HA SER 29 -14.218 -2.376 1.043 190 HB2 SER 29 1HB SER 29 -14.322 -3.991 -1.492 191 HB3 SER 29 2HB SER 29 -13.603 -4.662 -0.028 192 HG SER 29 HG SER 29 -15.727 -3.870 0.938 193 H TYR 30 H TYR 30 -12.450 -2.101 -2.008 194 HA TYR 30 HA TYR 30 -10.034 -1.410 -0.628 195 HB2 TYR 30 1HB TYR 30 -8.760 -3.324 -1.833 196 HB3 TYR 30 2HB TYR 30 -9.610 -3.684 -0.335 197 HD1 TYR 30 1HD TYR 30 -11.117 -3.252 -3.698 198 HD2 TYR 30 2HD TYR 30 -10.068 -5.977 -0.604 199 HE1 TYR 30 1HE TYR 30 -12.373 -5.029 -4.845 200 HE2 TYR 30 2HE TYR 30 -11.320 -7.761 -1.742 201 HH TYR 30 HH TYR 30 -12.805 -8.210 -3.382 202 H GLY 31 H GLY 31 -8.146 -1.598 -2.472 203 HA2 GLY 31 1HA GLY 31 -9.197 -0.781 -5.067 204 HA3 GLY 31 2HA GLY 31 -8.309 0.440 -4.166 205 H PHE 32 H PHE 32 -7.458 -0.360 -6.655 206 HA PHE 32 HA PHE 32 -5.147 -2.092 -6.091 207 HB2 PHE 32 1HB PHE 32 -6.354 -1.352 -8.765 208 HB3 PHE 32 2HB PHE 32 -5.012 -2.462 -8.508 209 HD1 PHE 32 2HD PHE 32 -8.586 -1.949 -7.622 210 HD2 PHE 32 1HD PHE 32 -5.418 -4.723 -8.243 211 HE1 PHE 32 2HE PHE 32 -10.178 -3.812 -7.396 212 HE2 PHE 32 1HE PHE 32 -7.005 -6.591 -8.019 213 HZ PHE 32 HZ PHE 32 -9.388 -6.136 -7.593 214 H ILE 33 H ILE 33 -3.077 -1.432 -6.622 215 HA ILE 33 HA ILE 33 -2.791 1.409 -7.358 216 HB ILE 33 HB ILE 33 -1.085 -0.177 -5.436 217 HG12 ILE 33 1HG1 ILE 33 -2.572 2.345 -4.787 218 HG13 ILE 33 2HG1 ILE 33 -3.420 0.803 -4.776 219 HG21 ILE 33 1HG2 ILE 33 0.553 1.217 -6.014 220 HG22 ILE 33 2HG2 ILE 33 -0.536 2.211 -6.981 221 HG23 ILE 33 3HG2 ILE 33 -0.389 2.495 -5.247 222 HD11 ILE 33 3HD1 ILE 33 -2.792 1.003 -2.585 223 HD12 ILE 33 1HD1 ILE 33 -1.453 0.060 -3.239 224 HD13 ILE 33 2HD1 ILE 33 -1.267 1.795 -2.979 225 H GLN 34 H GLN 34 -1.867 1.637 -9.275 226 HA GLN 34 HA GLN 34 -0.375 -0.513 -10.484 227 HB2 GLN 34 1HB GLN 34 -1.881 0.780 -11.871 228 HB3 GLN 34 2HB GLN 34 -1.043 2.269 -11.455 229 HG2 GLN 34 1HG GLN 34 -0.040 1.918 -13.433 230 HG3 GLN 34 2HG GLN 34 1.008 0.881 -12.468 231 HE21 GLN 34 2HE2 GLN 34 -0.614 -2.135 -13.623 232 HE22 GLN 34 1HE2 GLN 34 -0.108 -1.393 -12.147 233 H CYS 35 H CYS 35 1.604 -0.818 -9.628 234 HA CYS 35 HA CYS 35 3.279 1.124 -8.542 235 HB2 CYS 35 1HB CYS 35 4.049 -1.493 -9.852 236 HB3 CYS 35 2HB CYS 35 5.084 -0.541 -8.795 237 HG CYS 35 HG CYS 35 2.174 -1.251 -7.358 238 H SER 36 H SER 36 4.501 2.670 -9.398 239 HA SER 36 HA SER 36 4.700 2.868 -12.292 240 HB2 SER 36 1HB SER 36 5.389 4.776 -10.052 241 HB3 SER 36 2HB SER 36 5.714 5.127 -11.749 242 HG SER 36 HG SER 36 3.673 5.942 -10.931 243 H GLU 37 H GLU 37 6.395 1.214 -10.143 244 HA GLU 37 HA GLU 37 9.020 1.897 -11.286 245 HB2 GLU 37 1HB GLU 37 8.531 0.218 -8.829 246 HB3 GLU 37 2HB GLU 37 10.042 0.948 -9.354 247 HG2 GLU 37 1HG GLU 37 8.620 3.169 -9.099 248 HG3 GLU 37 2HG GLU 37 7.727 2.162 -7.961 249 H ARG 38 H ARG 38 6.922 -0.831 -10.427 250 HA ARG 38 HA ARG 38 8.568 -2.603 -12.081 251 HB2 ARG 38 1HB ARG 38 7.272 -4.431 -11.061 252 HB3 ARG 38 2HB ARG 38 8.047 -3.421 -9.849 253 HG2 ARG 38 1HG ARG 38 5.902 -2.246 -9.506 254 HG3 ARG 38 2HG ARG 38 5.147 -3.358 -10.649 255 HD2 ARG 38 1HD ARG 38 4.746 -4.073 -8.358 256 HD3 ARG 38 2HD ARG 38 5.752 -5.243 -9.211 257 HE ARG 38 HE ARG 38 6.525 -3.576 -6.976 258 HH11 ARG 38 2HH1 ARG 38 7.574 -5.608 -9.601 259 HH12 ARG 38 1HH1 ARG 38 9.121 -5.942 -8.896 260 HH21 ARG 38 1HH2 ARG 38 9.680 -5.033 -6.869 261 HH22 ARG 38 2HH2 ARG 38 8.559 -4.009 -6.038 262 H GLN 39 H GLN 39 5.788 -0.727 -12.271 263 HA GLN 39 HA GLN 39 4.154 -0.500 -13.837 264 HB2 GLN 39 1HB GLN 39 6.143 -2.203 -15.299 265 HB3 GLN 39 2HB GLN 39 4.586 -1.841 -16.032 266 HG2 GLN 39 1HG GLN 39 5.119 0.600 -15.627 267 HG3 GLN 39 2HG GLN 39 6.760 0.075 -15.253 268 HE21 GLN 39 2HE2 GLN 39 7.731 -0.172 -18.552 269 HE22 GLN 39 1HE2 GLN 39 8.142 -0.164 -16.874 270 H ALA 40 H ALA 40 3.497 -2.157 -11.820 271 HA ALA 40 HA ALA 40 1.855 -4.178 -13.179 272 HB1 ALA 40 3HB ALA 40 4.028 -4.828 -11.590 273 HB2 ALA 40 1HB ALA 40 2.637 -5.038 -10.526 274 HB3 ALA 40 2HB ALA 40 2.712 -5.902 -12.062 275 H ARG 41 H ARG 41 -0.198 -4.421 -12.392 276 HA ARG 41 HA ARG 41 -1.152 -2.322 -10.648 277 HB2 ARG 41 1HB ARG 41 -3.331 -2.945 -11.316 278 HB3 ARG 41 2HB ARG 41 -2.331 -3.129 -12.751 279 HG2 ARG 41 1HG ARG 41 -2.146 -5.613 -11.819 280 HG3 ARG 41 2HG ARG 41 -3.704 -5.175 -11.115 281 HD2 ARG 41 1HD ARG 41 -4.658 -4.760 -13.224 282 HD3 ARG 41 2HD ARG 41 -3.084 -4.718 -14.018 283 HE ARG 41 HE ARG 41 -3.112 -7.014 -14.144 284 HH11 ARG 41 2HH1 ARG 41 -5.659 -5.921 -12.037 285 HH12 ARG 41 1HH1 ARG 41 -6.414 -7.476 -11.928 286 HH21 ARG 41 1HH2 ARG 41 -5.525 -9.265 -13.050 287 HH22 ARG 41 2HH2 ARG 41 -4.097 -9.066 -14.009 288 H LEU 42 H LEU 42 -0.712 -2.650 -8.542 289 HA LEU 42 HA LEU 42 -0.892 -5.280 -7.357 290 HB2 LEU 42 1HB LEU 42 -0.043 -2.576 -6.454 291 HB3 LEU 42 2HB LEU 42 -0.520 -3.753 -5.231 292 HG LEU 42 HG LEU 42 1.741 -4.004 -7.210 293 HD11 LEU 42 1HD1 LEU 42 2.292 -4.327 -4.375 294 HD12 LEU 42 2HD1 LEU 42 1.650 -2.733 -4.770 295 HD13 LEU 42 3HD1 LEU 42 3.100 -3.325 -5.581 296 HD21 LEU 42 3HD2 LEU 42 1.276 -6.202 -7.074 297 HD22 LEU 42 1HD2 LEU 42 0.296 -6.014 -5.620 298 HD23 LEU 42 2HD2 LEU 42 2.054 -6.070 -5.496 299 H PHE 43 H PHE 43 -2.058 -5.380 -5.145 300 HA PHE 43 HA PHE 43 -4.686 -4.072 -5.364 301 HB2 PHE 43 1HB PHE 43 -5.369 -6.176 -5.940 302 HB3 PHE 43 2HB PHE 43 -4.015 -6.954 -5.126 303 HD1 PHE 43 2HD PHE 43 -6.598 -4.624 -3.806 304 HD2 PHE 43 1HD PHE 43 -4.938 -8.542 -3.726 305 HE1 PHE 43 2HE PHE 43 -8.071 -5.206 -1.924 306 HE2 PHE 43 1HE PHE 43 -6.409 -9.131 -1.844 307 HZ PHE 43 HZ PHE 43 -7.978 -7.461 -0.940 308 H PHE 44 H PHE 44 -4.676 -2.648 -3.736 309 HA PHE 44 HA PHE 44 -3.599 -3.472 -1.134 310 HB2 PHE 44 1HB PHE 44 -3.127 -1.270 -0.689 311 HB3 PHE 44 2HB PHE 44 -3.028 -1.235 -2.447 312 HD1 PHE 44 1HD PHE 44 -4.813 -0.226 -3.772 313 HD2 PHE 44 2HD PHE 44 -4.895 -0.164 0.483 314 HE1 PHE 44 1HE PHE 44 -6.535 1.531 -3.835 315 HE2 PHE 44 2HE PHE 44 -6.618 1.592 0.427 316 HZ PHE 44 HZ PHE 44 -7.440 2.441 -1.733 317 H HIS 45 H HIS 45 -4.829 -3.508 0.699 318 HA HIS 45 HA HIS 45 -7.719 -3.459 0.294 319 HB2 HIS 45 1HB HIS 45 -6.193 -5.264 1.577 320 HB3 HIS 45 2HB HIS 45 -6.578 -4.204 2.931 321 HD1 HIS 45 1HD HIS 45 -9.473 -3.545 2.456 322 HD2 HIS 45 2HD HIS 45 -7.902 -7.341 1.838 323 HE1 HIS 45 1HE HIS 45 -11.430 -5.116 2.614 324 HE2 HIS 45 2HE HIS 45 -10.442 -7.414 2.322 325 H CYS 46 H CYS 46 -9.116 -2.134 1.389 326 HA CYS 46 HA CYS 46 -8.322 0.427 2.066 327 HB2 CYS 46 1HB CYS 46 -10.774 -1.176 2.735 328 HB3 CYS 46 2HB CYS 46 -10.577 0.461 3.348 329 HG CYS 46 HG CYS 46 -9.949 0.518 0.144 330 H SER 47 H SER 47 -7.962 -2.427 3.861 331 HA SER 47 HA SER 47 -7.985 -1.207 6.470 332 HB2 SER 47 1HB SER 47 -8.606 -3.559 6.226 333 HB3 SER 47 2HB SER 47 -7.014 -3.930 5.566 334 HG SER 47 HG SER 47 -7.471 -4.275 7.939 335 H GLN 48 H GLN 48 -5.609 -2.012 4.033 336 HA GLN 48 HA GLN 48 -3.288 -1.793 5.599 337 HB2 GLN 48 1HB GLN 48 -3.567 -1.091 2.674 338 HB3 GLN 48 2HB GLN 48 -2.090 -1.544 3.514 339 HG2 GLN 48 1HG GLN 48 -4.473 -3.314 3.019 340 HG3 GLN 48 2HG GLN 48 -2.921 -3.385 2.185 341 HE21 GLN 48 2HE2 GLN 48 -3.247 -5.866 5.036 342 HE22 GLN 48 1HE2 GLN 48 -4.355 -5.389 3.800 343 H TYR 49 H TYR 49 -4.929 0.627 3.569 344 HA TYR 49 HA TYR 49 -3.245 2.771 3.954 345 HB2 TYR 49 1HB TYR 49 -5.230 2.722 2.439 346 HB3 TYR 49 2HB TYR 49 -6.263 2.928 3.849 347 HD1 TYR 49 2HD TYR 49 -3.028 4.581 3.021 348 HD2 TYR 49 1HD TYR 49 -7.219 5.036 3.597 349 HE1 TYR 49 2HE TYR 49 -2.782 7.021 2.840 350 HE2 TYR 49 1HE TYR 49 -6.984 7.478 3.415 351 HH TYR 49 HH TYR 49 -3.875 9.026 3.355 352 H ASN 50 H ASN 50 -2.778 4.132 5.575 353 HA ASN 50 HA ASN 50 -3.894 3.574 8.192 354 HB2 ASN 50 1HB ASN 50 -1.582 5.192 7.175 355 HB3 ASN 50 2HB ASN 50 -2.184 5.455 8.810 356 HD21 ASN 50 2HD2 ASN 50 0.001 2.183 7.879 357 HD22 ASN 50 1HD2 ASN 50 -0.511 3.318 6.681 358 H GLY 51 H GLY 51 -3.819 6.218 5.853 359 HA2 GLY 51 1HA GLY 51 -5.096 8.141 7.501 360 HA3 GLY 51 2HA GLY 51 -4.983 8.197 5.748 361 H ASN 52 H ASN 52 -7.043 8.802 5.273 362 HA ASN 52 HA ASN 52 -9.167 6.920 6.069 363 HB2 ASN 52 1HB ASN 52 -9.253 9.289 7.063 364 HB3 ASN 52 2HB ASN 52 -9.661 9.824 5.435 365 HD21 ASN 52 2HD2 ASN 52 -12.784 9.270 7.310 366 HD22 ASN 52 1HD2 ASN 52 -11.383 10.267 7.487 367 H LEU 53 H LEU 53 -9.715 5.731 4.369 368 HA LEU 53 HA LEU 53 -9.099 5.899 1.782 369 HB2 LEU 53 1HB LEU 53 -11.500 4.906 3.187 370 HB3 LEU 53 2HB LEU 53 -11.641 5.098 1.441 371 HG LEU 53 HG LEU 53 -11.055 2.809 2.055 372 HD11 LEU 53 1HD1 LEU 53 -9.922 2.670 0.154 373 HD12 LEU 53 2HD1 LEU 53 -8.509 3.432 0.884 374 HD13 LEU 53 3HD1 LEU 53 -9.774 4.428 0.165 375 HD21 LEU 53 3HD2 LEU 53 -9.376 2.226 3.443 376 HD22 LEU 53 1HD2 LEU 53 -9.597 3.864 4.059 377 HD23 LEU 53 2HD2 LEU 53 -8.321 3.527 2.889 378 H GLN 54 H GLN 54 -11.766 7.687 3.276 379 HA GLN 54 HA GLN 54 -12.978 8.830 1.119 380 HB2 GLN 54 1HB GLN 54 -12.289 10.157 3.745 381 HB3 GLN 54 2HB GLN 54 -13.438 10.798 2.579 382 HG2 GLN 54 1HG GLN 54 -14.655 8.565 2.825 383 HG3 GLN 54 2HG GLN 54 -13.656 8.329 4.259 384 HE21 GLN 54 2HE2 GLN 54 -16.453 9.775 5.843 385 HE22 GLN 54 1HE2 GLN 54 -15.704 8.286 5.386 386 H ASP 55 H ASP 55 -10.059 10.045 2.748 387 HA ASP 55 HA ASP 55 -9.669 12.252 1.031 388 HB2 ASP 55 1HB ASP 55 -7.661 10.729 2.706 389 HB3 ASP 55 2HB ASP 55 -7.375 12.299 1.960 390 H LEU 56 H LEU 56 -8.568 8.910 0.915 391 HA LEU 56 HA LEU 56 -6.767 9.261 -1.255 392 HB2 LEU 56 1HB LEU 56 -7.087 7.309 0.496 393 HB3 LEU 56 2HB LEU 56 -8.115 6.652 -0.776 394 HG LEU 56 HG LEU 56 -6.180 6.756 -2.326 395 HD11 LEU 56 1HD1 LEU 56 -4.187 7.625 -1.782 396 HD12 LEU 56 2HD1 LEU 56 -4.238 6.980 -0.142 397 HD13 LEU 56 3HD1 LEU 56 -5.088 8.476 -0.527 398 HD21 LEU 56 3HD2 LEU 56 -6.764 4.893 -0.375 399 HD22 LEU 56 1HD2 LEU 56 -5.027 5.147 -0.200 400 HD23 LEU 56 2HD2 LEU 56 -5.693 4.656 -1.758 401 H LYS 57 H LYS 57 -7.028 8.375 -3.415 402 HA LYS 57 HA LYS 57 -9.600 7.724 -4.447 403 HB2 LYS 57 1HB LYS 57 -9.635 9.773 -6.007 404 HB3 LYS 57 2HB LYS 57 -10.189 9.985 -4.351 405 HG2 LYS 57 1HG LYS 57 -8.172 11.064 -3.723 406 HG3 LYS 57 2HG LYS 57 -7.391 10.627 -5.244 407 HD2 LYS 57 1HD LYS 57 -8.668 12.158 -6.472 408 HD3 LYS 57 2HD LYS 57 -9.870 12.318 -5.190 409 HE2 LYS 57 1HE LYS 57 -7.785 13.201 -3.831 410 HE3 LYS 57 2HE LYS 57 -7.178 13.561 -5.446 411 HZ1 LYS 57 3HZ LYS 57 -8.312 15.472 -4.664 412 HZ2 LYS 57 1HZ LYS 57 -9.667 14.575 -4.194 413 HZ3 LYS 57 2HZ LYS 57 -9.308 14.767 -5.836 414 H VAL 58 H VAL 58 -9.531 7.727 -6.933 415 HA VAL 58 HA VAL 58 -7.157 6.324 -7.721 416 HB VAL 58 HB VAL 58 -9.644 7.100 -9.240 417 HG11 VAL 58 1HG1 VAL 58 -8.613 6.680 -11.159 418 HG12 VAL 58 2HG1 VAL 58 -7.097 6.408 -10.297 419 HG13 VAL 58 3HG1 VAL 58 -8.203 5.064 -10.585 420 HG21 VAL 58 3HG2 VAL 58 -10.408 5.343 -8.070 421 HG22 VAL 58 1HG2 VAL 58 -9.479 4.379 -9.218 422 HG23 VAL 58 2HG2 VAL 58 -8.786 4.793 -7.650 423 H GLY 59 H GLY 59 -5.398 7.132 -8.658 424 HA2 GLY 59 1HA GLY 59 -4.328 8.459 -10.339 425 HA3 GLY 59 2HA GLY 59 -5.625 9.634 -10.187 426 H ASP 60 H ASP 60 -4.355 8.368 -7.262 427 HA ASP 60 HA ASP 60 -2.833 10.860 -6.857 428 HB2 ASP 60 1HB ASP 60 -4.623 9.312 -5.006 429 HB3 ASP 60 2HB ASP 60 -3.359 10.357 -4.363 430 H ASP 61 H ASP 61 -0.832 10.751 -5.906 431 HA ASP 61 HA ASP 61 0.531 8.234 -6.101 432 HB2 ASP 61 1HB ASP 61 1.332 11.043 -5.439 433 HB3 ASP 61 2HB ASP 61 2.435 9.721 -5.066 434 H VAL 62 H VAL 62 1.181 6.884 -4.511 435 HA VAL 62 HA VAL 62 0.959 7.697 -1.722 436 HB VAL 62 HB VAL 62 -0.245 5.444 -1.279 437 HG11 VAL 62 1HG1 VAL 62 -2.395 6.946 -2.311 438 HG12 VAL 62 2HG1 VAL 62 -1.796 6.902 -0.651 439 HG13 VAL 62 3HG1 VAL 62 -1.170 8.100 -1.785 440 HG21 VAL 62 3HG2 VAL 62 -0.088 4.603 -3.574 441 HG22 VAL 62 1HG2 VAL 62 -1.767 4.739 -3.050 442 HG23 VAL 62 2HG2 VAL 62 -1.081 5.948 -4.135 443 H GLU 63 H GLU 63 1.907 6.104 -0.241 444 HA GLU 63 HA GLU 63 3.965 4.479 -1.585 445 HB2 GLU 63 1HB GLU 63 4.688 6.541 -0.234 446 HB3 GLU 63 2HB GLU 63 4.233 5.615 1.189 447 HG2 GLU 63 1HG GLU 63 5.798 3.807 0.047 448 HG3 GLU 63 2HG GLU 63 6.512 5.252 -0.666 449 H PHE 64 H PHE 64 4.072 2.370 -1.113 450 HA PHE 64 HA PHE 64 2.786 1.370 1.317 451 HB2 PHE 64 1HB PHE 64 1.781 -0.505 -0.086 452 HB3 PHE 64 2HB PHE 64 1.020 1.076 -0.236 453 HD1 PHE 64 1HD PHE 64 1.325 2.415 -2.260 454 HD2 PHE 64 2HD PHE 64 2.926 -1.514 -1.922 455 HE1 PHE 64 1HE PHE 64 1.635 2.335 -4.700 456 HE2 PHE 64 2HE PHE 64 3.239 -1.600 -4.361 457 HZ PHE 64 HZ PHE 64 2.594 0.326 -5.753 458 H GLU 65 H GLU 65 3.166 -1.153 1.371 459 HA GLU 65 HA GLU 65 5.956 -1.642 0.559 460 HB2 GLU 65 1HB GLU 65 6.158 -1.444 2.860 461 HB3 GLU 65 2HB GLU 65 4.567 -2.127 3.163 462 HG2 GLU 65 1HG GLU 65 5.307 -4.290 2.996 463 HG3 GLU 65 2HG GLU 65 6.679 -3.857 1.977 464 H VAL 66 H VAL 66 6.166 -3.273 -0.810 465 HA VAL 66 HA VAL 66 3.999 -5.018 -1.437 466 HB VAL 66 HB VAL 66 6.896 -5.175 -2.284 467 HG11 VAL 66 1HG1 VAL 66 4.530 -6.828 -2.875 468 HG12 VAL 66 2HG1 VAL 66 5.506 -6.360 -4.268 469 HG13 VAL 66 3HG1 VAL 66 6.244 -7.237 -2.927 470 HG21 VAL 66 3HG2 VAL 66 6.365 -3.895 -4.147 471 HG22 VAL 66 1HG2 VAL 66 4.634 -4.183 -3.976 472 HG23 VAL 66 2HG2 VAL 66 5.462 -3.099 -2.859 473 H SER 67 H SER 67 3.402 -6.690 -0.238 474 HA SER 67 HA SER 67 5.496 -8.319 1.044 475 HB2 SER 67 1HB SER 67 2.990 -7.180 2.186 476 HB3 SER 67 2HB SER 67 3.471 -8.792 2.714 477 HG SER 67 HG SER 67 5.653 -7.550 2.915 478 H SER 68 H SER 68 4.446 -10.511 1.771 479 HA SER 68 HA SER 68 3.029 -11.565 -0.582 480 HB2 SER 68 1HB SER 68 3.944 -13.801 0.560 481 HB3 SER 68 2HB SER 68 4.934 -12.839 -0.537 482 HG SER 68 HG SER 68 5.357 -13.400 2.046 483 H ASP 69 H ASP 69 1.061 -12.423 -0.367 484 HA ASP 69 HA ASP 69 -0.396 -12.160 2.033 485 HB2 ASP 69 1HB ASP 69 -1.278 -12.217 -0.377 486 HB3 ASP 69 2HB ASP 69 -1.190 -13.971 -0.240 487 H ARG 70 H ARG 70 -1.652 -14.040 2.999 488 HA ARG 70 HA ARG 70 0.253 -16.199 3.574 489 HB2 ARG 70 1HB ARG 70 -2.215 -15.538 5.172 490 HB3 ARG 70 2HB ARG 70 -0.811 -16.469 5.675 491 HG2 ARG 70 1HG ARG 70 -0.710 -13.536 5.019 492 HG3 ARG 70 2HG ARG 70 -0.971 -14.172 6.645 493 HD2 ARG 70 1HD ARG 70 1.314 -13.819 6.614 494 HD3 ARG 70 2HD ARG 70 1.191 -15.526 6.192 495 HE ARG 70 HE ARG 70 1.265 -13.723 3.938 496 HH11 ARG 70 2HH1 ARG 70 3.111 -15.671 6.156 497 HH12 ARG 70 1HH1 ARG 70 4.479 -15.808 5.101 498 HH21 ARG 70 1HH2 ARG 70 4.448 -14.798 3.045 499 HH22 ARG 70 2HH2 ARG 70 3.059 -13.896 2.540 500 H ARG 71 H ARG 71 -2.256 -15.674 1.584 501 HA ARG 71 HA ARG 71 -3.231 -18.446 1.812 502 HB2 ARG 71 1HB ARG 71 -4.778 -16.166 0.587 503 HB3 ARG 71 2HB ARG 71 -5.371 -17.764 1.019 504 HG2 ARG 71 1HG ARG 71 -4.323 -15.850 3.077 505 HG3 ARG 71 2HG ARG 71 -6.004 -15.832 2.540 506 HD2 ARG 71 1HD ARG 71 -4.568 -18.209 3.717 507 HD3 ARG 71 2HD ARG 71 -5.684 -17.159 4.588 508 HE ARG 71 HE ARG 71 -6.993 -18.135 2.321 509 HH11 ARG 71 2HH1 ARG 71 -5.691 -19.303 5.331 510 HH12 ARG 71 1HH1 ARG 71 -6.814 -20.616 5.457 511 HH21 ARG 71 1HH2 ARG 71 -8.398 -20.932 3.832 512 HH22 ARG 71 2HH2 ARG 71 -8.477 -19.860 2.476 513 H THR 72 H THR 72 -2.563 -15.790 -0.446 514 HA THR 72 HA THR 72 -2.246 -17.779 -2.594 515 HB THR 72 HB THR 72 -2.535 -15.931 -4.182 516 HG1 THR 72 1HG THR 72 -2.202 -14.444 -1.920 517 HG21 THR 72 3HG2 THR 72 -4.920 -15.396 -3.654 518 HG22 THR 72 1HG2 THR 72 -4.693 -16.168 -2.085 519 HG23 THR 72 2HG2 THR 72 -4.532 -17.114 -3.565 520 H GLY 73 H GLY 73 -0.511 -15.837 -0.491 521 HA2 GLY 73 1HA GLY 73 1.689 -15.189 -0.383 522 HA3 GLY 73 2HA GLY 73 1.993 -16.527 -1.481 523 H LYS 74 H LYS 74 -0.162 -14.146 -2.644 524 HA LYS 74 HA LYS 74 1.712 -13.387 -4.699 525 HB2 LYS 74 1HB LYS 74 -1.096 -12.386 -4.199 526 HB3 LYS 74 2HB LYS 74 -0.156 -12.154 -5.667 527 HG2 LYS 74 1HG LYS 74 -0.635 -14.934 -4.743 528 HG3 LYS 74 2HG LYS 74 -1.980 -14.047 -5.465 529 HD2 LYS 74 1HD LYS 74 -0.808 -13.741 -7.499 530 HD3 LYS 74 2HD LYS 74 0.719 -14.257 -6.780 531 HE2 LYS 74 1HE LYS 74 -0.649 -16.473 -6.336 532 HE3 LYS 74 2HE LYS 74 -1.604 -15.878 -7.693 533 HZ1 LYS 74 3HZ LYS 74 0.451 -17.395 -8.098 534 HZ2 LYS 74 1HZ LYS 74 1.321 -15.952 -7.935 535 HZ3 LYS 74 2HZ LYS 74 0.140 -16.097 -9.137 536 HA PRO 75 HA PRO 75 3.198 -9.629 -2.981 537 HB2 PRO 75 2HB PRO 75 4.594 -9.493 -4.802 538 HB3 PRO 75 1HB PRO 75 3.540 -8.139 -5.224 539 HG2 PRO 75 1HG PRO 75 2.297 -9.407 -6.720 540 HG3 PRO 75 2HG PRO 75 3.885 -10.173 -6.910 541 HD2 PRO 75 1HD PRO 75 1.662 -11.571 -6.248 542 HD3 PRO 75 2HD PRO 75 3.280 -12.021 -5.672 543 H ILE 76 H ILE 76 1.594 -8.688 -1.778 544 HA ILE 76 HA ILE 76 -0.310 -6.959 -3.218 545 HB ILE 76 HB ILE 76 -1.758 -7.106 -1.224 546 HG12 ILE 76 1HG1 ILE 76 -0.113 -9.408 -0.237 547 HG13 ILE 76 2HG1 ILE 76 0.330 -7.769 0.226 548 HG21 ILE 76 1HG2 ILE 76 -2.291 -8.568 -3.010 549 HG22 ILE 76 2HG2 ILE 76 -0.986 -9.674 -2.585 550 HG23 ILE 76 3HG2 ILE 76 -2.393 -9.527 -1.533 551 HD11 ILE 76 3HD1 ILE 76 -1.448 -9.387 1.531 552 HD12 ILE 76 1HD1 ILE 76 -1.320 -7.637 1.708 553 HD13 ILE 76 2HD1 ILE 76 -2.499 -8.327 0.591 554 H ALA 77 H ALA 77 -1.060 -5.062 -1.838 555 HA ALA 77 HA ALA 77 1.323 -3.714 -0.818 556 HB1 ALA 77 3HB ALA 77 -0.891 -1.960 -0.827 557 HB2 ALA 77 1HB ALA 77 0.496 -1.976 -1.917 558 HB3 ALA 77 2HB ALA 77 -0.955 -2.895 -2.321 559 H VAL 78 H VAL 78 1.469 -2.813 1.217 560 HA VAL 78 HA VAL 78 -0.757 -3.154 3.074 561 HB VAL 78 HB VAL 78 0.786 -4.142 4.789 562 HG11 VAL 78 1HG1 VAL 78 0.298 -5.796 2.313 563 HG12 VAL 78 2HG1 VAL 78 0.602 -6.425 3.933 564 HG13 VAL 78 3HG1 VAL 78 -0.864 -5.500 3.606 565 HG21 VAL 78 3HG2 VAL 78 2.735 -3.585 2.878 566 HG22 VAL 78 1HG2 VAL 78 2.946 -4.490 4.377 567 HG23 VAL 78 2HG2 VAL 78 2.588 -5.342 2.875 568 H LYS 79 H LYS 79 -0.419 -2.016 5.119 569 HA LYS 79 HA LYS 79 -0.052 -0.014 6.161 570 HB2 LYS 79 1HB LYS 79 2.799 -0.614 5.356 571 HB3 LYS 79 2HB LYS 79 2.289 0.438 6.670 572 HG2 LYS 79 1HG LYS 79 1.533 -1.364 7.966 573 HG3 LYS 79 2HG LYS 79 1.558 -2.471 6.591 574 HD2 LYS 79 1HD LYS 79 4.114 -1.175 7.379 575 HD3 LYS 79 2HD LYS 79 3.481 -2.452 8.422 576 HE2 LYS 79 1HE LYS 79 3.553 -2.946 5.492 577 HE3 LYS 79 2HE LYS 79 5.082 -2.968 6.370 578 HZ1 LYS 79 3HZ LYS 79 3.249 -5.017 6.175 579 HZ2 LYS 79 1HZ LYS 79 3.104 -4.448 7.762 580 HZ3 LYS 79 2HZ LYS 79 4.608 -4.960 7.181 581 H LEU 80 H LEU 80 -1.038 0.535 3.737 582 HA LEU 80 HA LEU 80 0.550 2.106 2.033 583 HB2 LEU 80 1HB LEU 80 -2.029 1.177 2.024 584 HB3 LEU 80 2HB LEU 80 -2.253 2.914 2.217 585 HG LEU 80 HG LEU 80 -0.486 2.846 0.157 586 HD11 LEU 80 1HD1 LEU 80 -2.359 0.701 -0.663 587 HD12 LEU 80 2HD1 LEU 80 -0.973 0.241 0.325 588 HD13 LEU 80 3HD1 LEU 80 -0.723 1.055 -1.218 589 HD21 LEU 80 3HD2 LEU 80 -3.357 2.542 -0.528 590 HD22 LEU 80 1HD2 LEU 80 -2.187 3.754 -1.052 591 HD23 LEU 80 2HD2 LEU 80 -2.904 3.858 0.557 592 H VAL 81 H VAL 81 0.518 4.412 1.720 593 HA VAL 81 HA VAL 81 -0.512 6.157 3.738 594 HB VAL 81 HB VAL 81 1.387 5.362 5.006 595 HG11 VAL 81 1HG1 VAL 81 3.650 5.483 4.232 596 HG12 VAL 81 2HG1 VAL 81 2.706 4.603 3.029 597 HG13 VAL 81 3HG1 VAL 81 3.151 6.287 2.744 598 HG21 VAL 81 3HG2 VAL 81 2.626 7.515 5.287 599 HG22 VAL 81 1HG2 VAL 81 1.766 8.129 3.874 600 HG23 VAL 81 2HG2 VAL 81 0.870 7.676 5.324 601 H LYS 82 H LYS 82 -1.103 7.885 2.623 602 HA LYS 82 HA LYS 82 -0.344 8.457 0.006 603 HB2 LYS 82 1HB LYS 82 -2.329 9.335 1.487 604 HB3 LYS 82 2HB LYS 82 -1.222 10.655 1.838 605 HG2 LYS 82 1HG LYS 82 -1.279 11.458 -0.308 606 HG3 LYS 82 2HG LYS 82 -1.697 9.889 -1.000 607 HD2 LYS 82 1HD LYS 82 -3.937 10.110 -0.478 608 HD3 LYS 82 2HD LYS 82 -3.627 11.261 0.824 609 HE2 LYS 82 1HE LYS 82 -2.962 12.017 -1.984 610 HE3 LYS 82 2HE LYS 82 -4.645 12.055 -1.460 611 HZ1 LYS 82 3HZ LYS 82 -4.167 14.084 -0.715 612 HZ2 LYS 82 1HZ LYS 82 -2.495 13.847 -0.829 613 HZ3 LYS 82 2HZ LYS 82 -3.332 13.324 0.545 614 H ILE 83 H ILE 83 1.293 9.551 -0.904 615 HA ILE 83 HA ILE 83 3.595 10.195 0.611 616 HB ILE 83 HB ILE 83 3.082 11.221 -2.168 617 HG12 ILE 83 1HG1 ILE 83 3.622 8.412 -1.252 618 HG13 ILE 83 2HG1 ILE 83 2.467 8.981 -2.452 619 HG21 ILE 83 1HG2 ILE 83 5.178 11.676 -0.634 620 HG22 ILE 83 2HG2 ILE 83 5.660 10.085 -1.219 621 HG23 ILE 83 3HG2 ILE 83 5.353 11.390 -2.365 622 HD11 ILE 83 3HD1 ILE 83 4.915 9.718 -3.492 623 HD12 ILE 83 1HD1 ILE 83 5.211 8.134 -2.775 624 HD13 ILE 83 2HD1 ILE 83 3.937 8.334 -3.978 625 H SER 84 H SER 84 1.550 12.354 -1.365 626 HA SER 84 HA SER 84 2.473 14.621 0.235 627 HB2 SER 84 1HB SER 84 0.832 14.567 -2.310 628 HB3 SER 84 2HB SER 84 1.452 16.015 -1.518 629 HG SER 84 HG SER 84 2.742 15.138 -3.306 630 H GLY 85 H GLY 85 0.793 16.327 0.731 631 HA2 GLY 85 1HA GLY 85 -1.791 16.401 0.922 632 HA3 GLY 85 2HA GLY 85 -1.532 14.982 1.926 633 HA PRO 86 HA PRO 86 0.303 18.884 4.186 634 HB2 PRO 86 2HB PRO 86 0.676 20.584 2.686 635 HB3 PRO 86 1HB PRO 86 -0.800 21.239 3.406 636 HG2 PRO 86 1HG PRO 86 -2.138 20.479 1.668 637 HG3 PRO 86 2HG PRO 86 -0.639 20.813 0.781 638 HD2 PRO 86 1HD PRO 86 -1.851 18.392 0.734 639 HD3 PRO 86 2HD PRO 86 -0.089 18.580 0.619 640 H SER 87 H SER 87 -0.670 18.583 6.090 641 HA SER 87 HA SER 87 -3.206 18.049 6.745 642 HB2 SER 87 1HB SER 87 -2.815 19.011 8.958 643 HB3 SER 87 2HB SER 87 -1.356 18.202 8.384 644 HG SER 87 HG SER 87 -0.815 20.213 9.230 645 H SER 88 H SER 88 -5.068 18.936 6.173 646 HA SER 88 HA SER 88 -5.215 21.813 5.679 647 HB2 SER 88 1HB SER 88 -7.375 21.319 4.616 648 HB3 SER 88 2HB SER 88 -6.099 20.302 3.947 649 HG SER 88 HG SER 88 -7.526 19.305 6.122 650 H GLY 89 H GLY 89 -7.557 22.694 6.247 651 HA2 GLY 89 1HA GLY 89 -9.328 22.370 7.998 652 HA3 GLY 89 2HA GLY 89 -7.995 22.043 9.096 Start of MODEL 13 1 H1 GLY 1 H GLY 1 5.889 -3.211 21.720 2 HA2 GLY 1 1HA GLY 1 4.731 -0.632 21.162 3 HA3 GLY 1 2HA GLY 1 5.143 -0.856 22.856 4 H SER 2 H SER 2 6.497 1.088 22.157 5 HA SER 2 HA SER 2 9.083 0.142 21.106 6 HB2 SER 2 1HB SER 2 7.703 2.808 20.851 7 HB3 SER 2 2HB SER 2 9.441 2.643 20.603 8 HG SER 2 HG SER 2 9.015 1.173 18.940 9 H SER 3 H SER 3 10.569 -0.066 22.630 10 HA SER 3 HA SER 3 11.014 2.039 24.556 11 HB2 SER 3 1HB SER 3 10.005 -0.676 25.373 12 HB3 SER 3 2HB SER 3 11.008 0.285 26.459 13 HG SER 3 HG SER 3 8.877 1.610 25.287 14 H GLY 4 H GLY 4 13.006 1.712 25.794 15 HA2 GLY 4 1HA GLY 4 14.771 -0.432 24.976 16 HA3 GLY 4 2HA GLY 4 15.215 1.151 24.355 17 H SER 5 H SER 5 14.873 -0.820 27.222 18 HA SER 5 HA SER 5 16.054 1.264 28.891 19 HB2 SER 5 1HB SER 5 15.569 -0.220 30.769 20 HB3 SER 5 2HB SER 5 14.132 -0.032 29.765 21 HG SER 5 HG SER 5 15.799 -2.140 29.103 22 H SER 6 H SER 6 17.750 0.341 26.899 23 HA SER 6 HA SER 6 19.913 -0.726 28.517 24 HB2 SER 6 1HB SER 6 20.420 -2.586 27.128 25 HB3 SER 6 2HB SER 6 18.686 -2.685 27.434 26 HG SER 6 HG SER 6 19.896 -2.604 25.103 27 H GLY 7 H GLY 7 21.999 -0.770 27.198 28 HA2 GLY 7 1HA GLY 7 22.221 1.791 25.864 29 HA3 GLY 7 2HA GLY 7 23.543 0.711 26.283 30 H GLY 8 H GLY 8 20.718 0.807 24.103 31 HA2 GLY 8 1HA GLY 8 22.296 0.474 21.770 32 HA3 GLY 8 2HA GLY 8 21.613 -1.070 22.258 33 H TYR 9 H TYR 9 20.940 2.103 21.000 34 HA TYR 9 HA TYR 9 18.317 1.137 20.117 35 HB2 TYR 9 1HB TYR 9 17.121 2.902 20.971 36 HB3 TYR 9 2HB TYR 9 18.350 2.748 22.221 37 HD1 TYR 9 2HD TYR 9 17.158 4.770 19.407 38 HD2 TYR 9 1HD TYR 9 20.089 4.418 22.471 39 HE1 TYR 9 2HE TYR 9 17.810 7.114 19.046 40 HE2 TYR 9 1HE TYR 9 20.748 6.761 22.119 41 HH TYR 9 HH TYR 9 20.472 8.423 19.813 42 HA PRO 10 HA PRO 10 16.554 2.394 19.130 43 HB2 PRO 10 2HB PRO 10 15.675 3.310 17.215 44 HB3 PRO 10 1HB PRO 10 15.568 1.616 16.723 45 HG2 PRO 10 1HG PRO 10 17.511 1.728 15.459 46 HG3 PRO 10 2HG PRO 10 16.907 3.382 15.245 47 HD2 PRO 10 1HD PRO 10 19.384 2.848 16.201 48 HD3 PRO 10 2HD PRO 10 18.450 4.269 16.710 49 H ASN 11 H ASN 11 15.987 0.496 19.993 50 HA ASN 11 HA ASN 11 17.458 -1.801 19.925 51 HB2 ASN 11 1HB ASN 11 15.520 -1.234 21.466 52 HB3 ASN 11 2HB ASN 11 14.451 -1.822 20.196 53 HD21 ASN 11 2HD2 ASN 11 15.603 -5.220 20.526 54 HD22 ASN 11 1HD2 ASN 11 15.278 -4.041 19.304 55 H GLY 12 H GLY 12 17.792 -3.431 18.545 56 HA2 GLY 12 1HA GLY 12 17.594 -4.793 16.706 57 HA3 GLY 12 2HA GLY 12 15.875 -4.429 16.727 58 H THR 13 H THR 13 18.705 -4.123 14.995 59 HA THR 13 HA THR 13 17.891 -1.694 13.593 60 HB THR 13 HB THR 13 20.022 -1.945 12.353 61 HG1 THR 13 1HG THR 13 21.229 -3.695 12.586 62 HG21 THR 13 3HG2 THR 13 19.900 -1.763 15.318 63 HG22 THR 13 1HG2 THR 13 20.394 -0.556 14.133 64 HG23 THR 13 2HG2 THR 13 21.490 -1.868 14.564 65 H SER 14 H SER 14 16.203 -2.154 12.275 66 HA SER 14 HA SER 14 16.736 -3.938 10.035 67 HB2 SER 14 1HB SER 14 14.196 -4.183 11.663 68 HB3 SER 14 2HB SER 14 14.629 -5.128 10.238 69 HG SER 14 HG SER 14 15.071 -6.276 12.151 70 H ALA 15 H ALA 15 16.009 -3.126 8.163 71 HA ALA 15 HA ALA 15 14.238 -0.776 8.299 72 HB1 ALA 15 3HB ALA 15 15.963 0.189 7.243 73 HB2 ALA 15 1HB ALA 15 16.666 -1.358 6.771 74 HB3 ALA 15 2HB ALA 15 15.358 -0.655 5.818 75 H ALA 16 H ALA 16 12.867 -0.440 6.341 76 HA ALA 16 HA ALA 16 11.957 -3.002 5.205 77 HB1 ALA 16 3HB ALA 16 9.635 -1.854 5.241 78 HB2 ALA 16 1HB ALA 16 10.267 -2.568 6.726 79 HB3 ALA 16 2HB ALA 16 10.352 -0.823 6.480 80 H LEU 17 H LEU 17 11.223 -2.968 3.085 81 HA LEU 17 HA LEU 17 12.125 -0.675 1.528 82 HB2 LEU 17 1HB LEU 17 12.908 -2.801 0.772 83 HB3 LEU 17 2HB LEU 17 11.273 -3.459 0.765 84 HG LEU 17 HG LEU 17 12.263 -2.953 -1.492 85 HD11 LEU 17 1HD1 LEU 17 9.821 -1.286 -1.109 86 HD12 LEU 17 2HD1 LEU 17 9.753 -3.016 -0.778 87 HD13 LEU 17 3HD1 LEU 17 10.208 -2.443 -2.382 88 HD21 LEU 17 3HD2 LEU 17 12.986 -0.574 -0.352 89 HD22 LEU 17 1HD2 LEU 17 11.564 -0.123 -1.294 90 HD23 LEU 17 2HD2 LEU 17 12.935 -0.903 -2.085 91 H ARG 18 H ARG 18 10.704 0.892 1.166 92 HA ARG 18 HA ARG 18 7.859 0.219 0.924 93 HB2 ARG 18 1HB ARG 18 9.178 2.917 1.281 94 HB3 ARG 18 2HB ARG 18 7.447 2.608 1.276 95 HG2 ARG 18 1HG ARG 18 9.356 1.420 3.275 96 HG3 ARG 18 2HG ARG 18 8.448 2.911 3.536 97 HD2 ARG 18 1HD ARG 18 7.038 0.389 2.754 98 HD3 ARG 18 2HD ARG 18 7.502 0.669 4.432 99 HE ARG 18 HE ARG 18 6.016 2.812 3.178 100 HH11 ARG 18 2HH1 ARG 18 5.900 -0.081 5.110 101 HH12 ARG 18 1HH1 ARG 18 4.359 0.291 5.810 102 HH21 ARG 18 1HH2 ARG 18 3.272 2.222 5.229 103 HH22 ARG 18 2HH2 ARG 18 3.987 3.314 4.092 104 H GLU 19 H GLU 19 6.883 0.239 -0.990 105 HA GLU 19 HA GLU 19 8.334 1.359 -3.282 106 HB2 GLU 19 1HB GLU 19 5.983 -0.542 -3.277 107 HB3 GLU 19 2HB GLU 19 6.943 -0.069 -4.672 108 HG2 GLU 19 1HG GLU 19 8.227 -1.402 -2.326 109 HG3 GLU 19 2HG GLU 19 7.383 -2.347 -3.551 110 H THR 20 H THR 20 7.232 2.616 -4.855 111 HA THR 20 HA THR 20 4.769 3.903 -3.869 112 HB THR 20 HB THR 20 5.507 6.034 -4.703 113 HG1 THR 20 1HG THR 20 8.056 5.069 -5.374 114 HG21 THR 20 3HG2 THR 20 8.017 5.731 -3.465 115 HG22 THR 20 1HG2 THR 20 6.933 4.587 -2.674 116 HG23 THR 20 2HG2 THR 20 6.516 6.300 -2.734 117 H GLY 21 H GLY 21 3.160 4.271 -5.330 118 HA2 GLY 21 1HA GLY 21 3.694 3.865 -8.175 119 HA3 GLY 21 2HA GLY 21 2.566 2.757 -7.410 120 H VAL 22 H VAL 22 0.626 3.301 -8.195 121 HA VAL 22 HA VAL 22 -0.428 5.923 -7.541 122 HB VAL 22 HB VAL 22 0.593 6.093 -9.860 123 HG11 VAL 22 1HG1 VAL 22 -0.934 3.744 -10.244 124 HG12 VAL 22 2HG1 VAL 22 -1.630 5.000 -11.270 125 HG13 VAL 22 3HG1 VAL 22 0.080 4.591 -11.411 126 HG21 VAL 22 3HG2 VAL 22 -2.284 6.685 -9.260 127 HG22 VAL 22 1HG2 VAL 22 -0.905 7.784 -9.296 128 HG23 VAL 22 2HG2 VAL 22 -1.563 7.144 -10.803 129 H ILE 23 H ILE 23 -2.696 6.001 -7.490 130 HA ILE 23 HA ILE 23 -3.947 3.445 -7.046 131 HB ILE 23 HB ILE 23 -5.077 6.242 -6.905 132 HG12 ILE 23 1HG1 ILE 23 -3.289 5.597 -5.243 133 HG13 ILE 23 2HG1 ILE 23 -4.833 6.056 -4.534 134 HG21 ILE 23 1HG2 ILE 23 -6.698 4.321 -7.390 135 HG22 ILE 23 2HG2 ILE 23 -6.346 3.783 -5.749 136 HG23 ILE 23 3HG2 ILE 23 -7.059 5.372 -6.021 137 HD11 ILE 23 3HD1 ILE 23 -4.564 3.195 -5.064 138 HD12 ILE 23 1HD1 ILE 23 -3.412 3.835 -3.892 139 HD13 ILE 23 2HD1 ILE 23 -5.144 4.040 -3.629 140 H GLU 24 H GLU 24 -4.134 2.407 -9.010 141 HA GLU 24 HA GLU 24 -5.137 3.637 -11.362 142 HB2 GLU 24 1HB GLU 24 -3.733 1.506 -11.175 143 HB3 GLU 24 2HB GLU 24 -5.234 0.684 -10.771 144 HG2 GLU 24 1HG GLU 24 -6.102 1.767 -12.970 145 HG3 GLU 24 2HG GLU 24 -4.388 1.921 -13.348 146 H LYS 25 H LYS 25 -6.620 1.532 -8.918 147 HA LYS 25 HA LYS 25 -9.240 2.596 -9.679 148 HB2 LYS 25 1HB LYS 25 -8.542 0.180 -10.620 149 HB3 LYS 25 2HB LYS 25 -9.143 -0.301 -9.038 150 HG2 LYS 25 1HG LYS 25 -10.830 1.524 -10.655 151 HG3 LYS 25 2HG LYS 25 -10.712 -0.163 -11.160 152 HD2 LYS 25 1HD LYS 25 -11.685 -0.948 -9.207 153 HD3 LYS 25 2HD LYS 25 -11.284 0.513 -8.302 154 HE2 LYS 25 1HE LYS 25 -13.600 0.638 -8.657 155 HE3 LYS 25 2HE LYS 25 -12.898 1.722 -9.857 156 HZ1 LYS 25 3HZ LYS 25 -14.685 -0.220 -10.391 157 HZ2 LYS 25 1HZ LYS 25 -13.228 -0.992 -10.771 158 HZ3 LYS 25 2HZ LYS 25 -13.637 0.463 -11.530 159 H LEU 26 H LEU 26 -10.834 2.454 -8.022 160 HA LEU 26 HA LEU 26 -9.927 1.595 -5.382 161 HB2 LEU 26 1HB LEU 26 -9.438 4.078 -5.827 162 HB3 LEU 26 2HB LEU 26 -11.183 4.298 -5.725 163 HG LEU 26 HG LEU 26 -10.769 3.007 -3.411 164 HD11 LEU 26 1HD1 LEU 26 -8.423 2.752 -3.552 165 HD12 LEU 26 2HD1 LEU 26 -8.712 4.056 -2.400 166 HD13 LEU 26 3HD1 LEU 26 -8.197 4.430 -4.045 167 HD21 LEU 26 3HD2 LEU 26 -10.401 5.962 -3.895 168 HD22 LEU 26 1HD2 LEU 26 -10.771 5.218 -2.339 169 HD23 LEU 26 2HD2 LEU 26 -11.934 5.120 -3.662 170 H LEU 27 H LEU 27 -11.532 0.817 -4.104 171 HA LEU 27 HA LEU 27 -14.303 1.155 -5.033 172 HB2 LEU 27 1HB LEU 27 -13.055 -1.401 -4.036 173 HB3 LEU 27 2HB LEU 27 -14.751 -1.182 -4.462 174 HG LEU 27 HG LEU 27 -13.654 -0.490 -6.794 175 HD11 LEU 27 1HD1 LEU 27 -11.388 -1.133 -5.520 176 HD12 LEU 27 2HD1 LEU 27 -11.616 -1.348 -7.255 177 HD13 LEU 27 3HD1 LEU 27 -11.822 -2.717 -6.163 178 HD21 LEU 27 3HD2 LEU 27 -13.669 -3.326 -6.799 179 HD22 LEU 27 1HD2 LEU 27 -14.919 -2.218 -7.365 180 HD23 LEU 27 2HD2 LEU 27 -14.928 -2.776 -5.692 181 H THR 28 H THR 28 -15.710 -0.092 -3.155 182 HA THR 28 HA THR 28 -15.375 1.610 -0.863 183 HB THR 28 HB THR 28 -17.392 -0.566 -1.439 184 HG1 THR 28 1HG THR 28 -17.999 2.170 -1.263 185 HG21 THR 28 3HG2 THR 28 -18.608 0.133 0.479 186 HG22 THR 28 1HG2 THR 28 -17.540 1.511 0.740 187 HG23 THR 28 2HG2 THR 28 -16.948 -0.128 1.013 188 H SER 29 H SER 29 -14.697 -1.707 -1.670 189 HA SER 29 HA SER 29 -14.185 -2.414 1.110 190 HB2 SER 29 1HB SER 29 -14.200 -3.982 -1.465 191 HB3 SER 29 2HB SER 29 -13.569 -4.665 0.033 192 HG SER 29 HG SER 29 -16.018 -3.477 0.324 193 H TYR 30 H TYR 30 -12.430 -2.113 -1.956 194 HA TYR 30 HA TYR 30 -10.020 -1.386 -0.561 195 HB2 TYR 30 1HB TYR 30 -8.723 -3.234 -1.834 196 HB3 TYR 30 2HB TYR 30 -9.566 -3.666 -0.351 197 HD1 TYR 30 1HD TYR 30 -10.986 -3.156 -3.752 198 HD2 TYR 30 2HD TYR 30 -10.083 -5.926 -0.652 199 HE1 TYR 30 1HE TYR 30 -12.215 -4.906 -4.967 200 HE2 TYR 30 2HE TYR 30 -11.309 -7.684 -1.858 201 HH TYR 30 HH TYR 30 -12.856 -8.029 -3.535 202 H GLY 31 H GLY 31 -8.144 -1.500 -2.434 203 HA2 GLY 31 1HA GLY 31 -9.246 -0.562 -4.972 204 HA3 GLY 31 2HA GLY 31 -8.304 0.593 -4.041 205 H PHE 32 H PHE 32 -7.600 -0.204 -6.621 206 HA PHE 32 HA PHE 32 -5.322 -2.009 -6.211 207 HB2 PHE 32 1HB PHE 32 -6.662 -1.055 -8.748 208 HB3 PHE 32 2HB PHE 32 -5.230 -2.078 -8.708 209 HD1 PHE 32 2HD PHE 32 -8.798 -1.918 -7.746 210 HD2 PHE 32 1HD PHE 32 -5.408 -4.398 -8.434 211 HE1 PHE 32 2HE PHE 32 -10.233 -3.911 -7.610 212 HE2 PHE 32 1HE PHE 32 -6.839 -6.396 -8.300 213 HZ PHE 32 HZ PHE 32 -9.254 -6.154 -7.886 214 H ILE 33 H ILE 33 -3.234 -1.425 -6.878 215 HA ILE 33 HA ILE 33 -2.828 1.443 -7.404 216 HB ILE 33 HB ILE 33 -1.276 -0.296 -5.488 217 HG12 ILE 33 1HG1 ILE 33 -2.433 2.388 -4.850 218 HG13 ILE 33 2HG1 ILE 33 -3.504 0.993 -4.910 219 HG21 ILE 33 1HG2 ILE 33 0.046 1.852 -5.122 220 HG22 ILE 33 2HG2 ILE 33 0.386 0.938 -6.590 221 HG23 ILE 33 3HG2 ILE 33 -0.618 2.386 -6.666 222 HD11 ILE 33 3HD1 ILE 33 -2.973 0.837 -2.739 223 HD12 ILE 33 1HD1 ILE 33 -1.538 0.019 -3.355 224 HD13 ILE 33 2HD1 ILE 33 -1.464 1.730 -2.933 225 H GLN 34 H GLN 34 -1.955 1.653 -9.350 226 HA GLN 34 HA GLN 34 -0.469 -0.497 -10.574 227 HB2 GLN 34 1HB GLN 34 -1.973 0.736 -11.982 228 HB3 GLN 34 2HB GLN 34 -1.227 2.264 -11.530 229 HG2 GLN 34 1HG GLN 34 -0.177 2.006 -13.497 230 HG3 GLN 34 2HG GLN 34 0.913 1.008 -12.536 231 HE21 GLN 34 2HE2 GLN 34 -0.132 -2.047 -13.938 232 HE22 GLN 34 1HE2 GLN 34 0.563 -1.294 -12.548 233 H CYS 35 H CYS 35 1.523 -0.783 -9.745 234 HA CYS 35 HA CYS 35 3.204 1.079 -8.613 235 HB2 CYS 35 1HB CYS 35 4.274 -1.181 -10.287 236 HB3 CYS 35 2HB CYS 35 4.937 -0.508 -8.803 237 HG CYS 35 HG CYS 35 2.688 -1.495 -7.278 238 H SER 36 H SER 36 4.920 2.342 -9.338 239 HA SER 36 HA SER 36 4.784 3.036 -12.193 240 HB2 SER 36 1HB SER 36 5.520 4.629 -9.744 241 HB3 SER 36 2HB SER 36 5.976 5.168 -11.360 242 HG SER 36 HG SER 36 3.518 4.644 -11.670 243 H GLU 37 H GLU 37 6.649 1.351 -10.034 244 HA GLU 37 HA GLU 37 9.165 1.971 -11.417 245 HB2 GLU 37 1HB GLU 37 8.811 0.312 -8.920 246 HB3 GLU 37 2HB GLU 37 10.312 0.957 -9.570 247 HG2 GLU 37 1HG GLU 37 9.039 3.252 -9.241 248 HG3 GLU 37 2HG GLU 37 8.170 2.308 -8.032 249 H ARG 38 H ARG 38 6.925 -0.626 -10.661 250 HA ARG 38 HA ARG 38 8.499 -2.452 -12.347 251 HB2 ARG 38 1HB ARG 38 7.242 -4.270 -11.281 252 HB3 ARG 38 2HB ARG 38 8.077 -3.282 -10.089 253 HG2 ARG 38 1HG ARG 38 6.057 -2.220 -9.431 254 HG3 ARG 38 2HG ARG 38 5.175 -2.924 -10.788 255 HD2 ARG 38 1HD ARG 38 6.262 -4.309 -8.350 256 HD3 ARG 38 2HD ARG 38 4.585 -4.194 -8.882 257 HE ARG 38 HE ARG 38 5.751 -5.505 -10.920 258 HH11 ARG 38 2HH1 ARG 38 5.805 -5.991 -7.473 259 HH12 ARG 38 1HH1 ARG 38 6.005 -7.708 -7.587 260 HH21 ARG 38 1HH2 ARG 38 6.125 -8.716 -9.641 261 HH22 ARG 38 2HH2 ARG 38 6.015 -7.765 -11.083 262 H GLN 39 H GLN 39 5.675 -0.578 -12.254 263 HA GLN 39 HA GLN 39 3.951 -0.289 -13.710 264 HB2 GLN 39 1HB GLN 39 5.960 -1.750 -15.350 265 HB3 GLN 39 2HB GLN 39 4.323 -1.632 -15.982 266 HG2 GLN 39 1HG GLN 39 4.576 0.894 -15.470 267 HG3 GLN 39 2HG GLN 39 6.302 0.536 -15.447 268 HE21 GLN 39 2HE2 GLN 39 6.022 1.427 -18.847 269 HE22 GLN 39 1HE2 GLN 39 6.372 2.017 -17.262 270 H ALA 40 H ALA 40 3.613 -2.203 -11.739 271 HA ALA 40 HA ALA 40 1.974 -4.225 -13.126 272 HB1 ALA 40 3HB ALA 40 3.828 -4.484 -10.820 273 HB2 ALA 40 1HB ALA 40 2.363 -5.467 -10.823 274 HB3 ALA 40 2HB ALA 40 3.514 -5.596 -12.153 275 H ARG 41 H ARG 41 -0.087 -4.575 -12.392 276 HA ARG 41 HA ARG 41 -1.246 -2.470 -10.802 277 HB2 ARG 41 1HB ARG 41 -2.308 -4.779 -12.382 278 HB3 ARG 41 2HB ARG 41 -3.350 -3.997 -11.200 279 HG2 ARG 41 1HG ARG 41 -3.466 -2.041 -12.388 280 HG3 ARG 41 2HG ARG 41 -1.916 -2.310 -13.189 281 HD2 ARG 41 1HD ARG 41 -4.238 -4.119 -13.728 282 HD3 ARG 41 2HD ARG 41 -4.116 -2.560 -14.542 283 HE ARG 41 HE ARG 41 -2.504 -4.902 -15.015 284 HH11 ARG 41 2HH1 ARG 41 -2.740 -1.445 -15.346 285 HH12 ARG 41 1HH1 ARG 41 -1.616 -1.363 -16.663 286 HH21 ARG 41 1HH2 ARG 41 -0.641 -3.277 -17.460 287 HH22 ARG 41 2HH2 ARG 41 -1.023 -4.808 -16.748 288 H LEU 42 H LEU 42 -0.706 -2.639 -8.682 289 HA LEU 42 HA LEU 42 -0.820 -5.188 -7.315 290 HB2 LEU 42 1HB LEU 42 0.079 -2.441 -6.663 291 HB3 LEU 42 2HB LEU 42 -0.435 -3.459 -5.320 292 HG LEU 42 HG LEU 42 1.836 -3.956 -7.236 293 HD11 LEU 42 1HD1 LEU 42 3.040 -2.933 -5.684 294 HD12 LEU 42 2HD1 LEU 42 2.584 -4.192 -4.537 295 HD13 LEU 42 3HD1 LEU 42 1.615 -2.724 -4.665 296 HD21 LEU 42 3HD2 LEU 42 2.155 -5.955 -5.583 297 HD22 LEU 42 1HD2 LEU 42 1.068 -6.107 -6.964 298 HD23 LEU 42 2HD2 LEU 42 0.413 -5.787 -5.358 299 H PHE 43 H PHE 43 -2.039 -5.400 -5.265 300 HA PHE 43 HA PHE 43 -4.626 -3.996 -5.410 301 HB2 PHE 43 1HB PHE 43 -5.344 -6.096 -5.948 302 HB3 PHE 43 2HB PHE 43 -3.982 -6.881 -5.156 303 HD1 PHE 43 2HD PHE 43 -6.576 -4.545 -3.856 304 HD2 PHE 43 1HD PHE 43 -4.829 -8.421 -3.671 305 HE1 PHE 43 2HE PHE 43 -8.016 -5.098 -1.940 306 HE2 PHE 43 1HE PHE 43 -6.267 -8.982 -1.754 307 HZ PHE 43 HZ PHE 43 -7.862 -7.319 -0.885 308 H PHE 44 H PHE 44 -4.780 -2.637 -3.758 309 HA PHE 44 HA PHE 44 -3.586 -3.392 -1.180 310 HB2 PHE 44 1HB PHE 44 -3.170 -1.175 -0.752 311 HB3 PHE 44 2HB PHE 44 -3.092 -1.149 -2.511 312 HD1 PHE 44 2HD PHE 44 -5.048 -0.208 0.431 313 HD2 PHE 44 1HD PHE 44 -4.824 -0.098 -3.818 314 HE1 PHE 44 2HE PHE 44 -6.818 1.501 0.385 315 HE2 PHE 44 1HE PHE 44 -6.592 1.612 -3.871 316 HZ PHE 44 HZ PHE 44 -7.593 2.413 -1.768 317 H HIS 45 H HIS 45 -4.790 -3.476 0.663 318 HA HIS 45 HA HIS 45 -7.688 -3.471 0.302 319 HB2 HIS 45 1HB HIS 45 -6.105 -5.271 1.535 320 HB3 HIS 45 2HB HIS 45 -6.509 -4.248 2.910 321 HD1 HIS 45 1HD HIS 45 -9.405 -3.659 2.545 322 HD2 HIS 45 2HD HIS 45 -7.779 -7.381 1.673 323 HE1 HIS 45 1HE HIS 45 -11.328 -5.275 2.657 324 HE2 HIS 45 2HE HIS 45 -10.305 -7.533 2.210 325 H CYS 46 H CYS 46 -9.091 -2.223 1.499 326 HA CYS 46 HA CYS 46 -8.351 0.353 2.175 327 HB2 CYS 46 1HB CYS 46 -10.534 0.651 3.007 328 HB3 CYS 46 2HB CYS 46 -10.697 -0.604 1.785 329 HG CYS 46 HG CYS 46 -11.042 -2.684 3.498 330 H SER 47 H SER 47 -7.816 -2.509 3.915 331 HA SER 47 HA SER 47 -7.741 -1.308 6.534 332 HB2 SER 47 1HB SER 47 -8.330 -3.664 6.325 333 HB3 SER 47 2HB SER 47 -6.783 -4.007 5.552 334 HG SER 47 HG SER 47 -6.961 -4.447 7.887 335 H GLN 48 H GLN 48 -5.491 -1.996 3.959 336 HA GLN 48 HA GLN 48 -3.093 -1.757 5.417 337 HB2 GLN 48 1HB GLN 48 -3.484 -1.009 2.520 338 HB3 GLN 48 2HB GLN 48 -1.997 -1.536 3.298 339 HG2 GLN 48 1HG GLN 48 -4.452 -3.196 2.780 340 HG3 GLN 48 2HG GLN 48 -2.891 -3.324 1.971 341 HE21 GLN 48 2HE2 GLN 48 -3.239 -5.932 4.619 342 HE22 GLN 48 1HE2 GLN 48 -4.212 -5.439 3.279 343 H TYR 49 H TYR 49 -4.904 0.632 3.501 344 HA TYR 49 HA TYR 49 -3.251 2.814 3.791 345 HB2 TYR 49 1HB TYR 49 -5.369 2.677 2.426 346 HB3 TYR 49 2HB TYR 49 -6.267 2.955 3.914 347 HD1 TYR 49 2HD TYR 49 -3.090 4.534 2.787 348 HD2 TYR 49 1HD TYR 49 -7.234 5.058 3.600 349 HE1 TYR 49 2HE TYR 49 -2.837 6.961 2.481 350 HE2 TYR 49 1HE TYR 49 -6.992 7.487 3.296 351 HH TYR 49 HH TYR 49 -5.482 9.182 3.142 352 H ASN 50 H ASN 50 -2.509 3.884 5.489 353 HA ASN 50 HA ASN 50 -3.702 3.463 8.102 354 HB2 ASN 50 1HB ASN 50 -1.282 5.140 7.423 355 HB3 ASN 50 2HB ASN 50 -1.725 4.487 8.997 356 HD21 ASN 50 2HD2 ASN 50 -0.432 1.295 8.412 357 HD22 ASN 50 1HD2 ASN 50 -1.480 2.268 9.383 358 H GLY 51 H GLY 51 -4.670 5.317 5.749 359 HA2 GLY 51 1HA GLY 51 -5.117 7.687 7.459 360 HA3 GLY 51 2HA GLY 51 -4.986 7.765 5.708 361 H ASN 52 H ASN 52 -6.947 8.506 5.120 362 HA ASN 52 HA ASN 52 -9.272 6.881 5.914 363 HB2 ASN 52 1HB ASN 52 -9.080 9.277 6.898 364 HB3 ASN 52 2HB ASN 52 -9.511 9.808 5.276 365 HD21 ASN 52 2HD2 ASN 52 -12.276 7.490 7.208 366 HD22 ASN 52 1HD2 ASN 52 -10.599 7.080 7.259 367 H LEU 53 H LEU 53 -9.669 5.692 4.144 368 HA LEU 53 HA LEU 53 -9.061 5.977 1.566 369 HB2 LEU 53 1HB LEU 53 -11.449 4.883 2.925 370 HB3 LEU 53 2HB LEU 53 -11.571 5.121 1.183 371 HG LEU 53 HG LEU 53 -10.940 2.828 1.746 372 HD11 LEU 53 1HD1 LEU 53 -9.769 2.753 -0.137 373 HD12 LEU 53 2HD1 LEU 53 -8.399 3.568 0.614 374 HD13 LEU 53 3HD1 LEU 53 -9.704 4.515 -0.102 375 HD21 LEU 53 3HD2 LEU 53 -9.229 2.245 3.106 376 HD22 LEU 53 1HD2 LEU 53 -9.547 3.835 3.800 377 HD23 LEU 53 2HD2 LEU 53 -8.237 3.626 2.637 378 H GLN 54 H GLN 54 -11.783 7.628 3.123 379 HA GLN 54 HA GLN 54 -13.016 8.830 1.012 380 HB2 GLN 54 1HB GLN 54 -12.430 9.839 3.781 381 HB3 GLN 54 2HB GLN 54 -13.318 10.828 2.630 382 HG2 GLN 54 1HG GLN 54 -15.008 9.788 3.790 383 HG3 GLN 54 2HG GLN 54 -14.832 8.749 2.376 384 HE21 GLN 54 2HE2 GLN 54 -13.872 5.930 4.158 385 HE22 GLN 54 1HE2 GLN 54 -14.121 6.679 2.621 386 H ASP 55 H ASP 55 -10.128 10.044 2.693 387 HA ASP 55 HA ASP 55 -9.794 12.334 1.075 388 HB2 ASP 55 1HB ASP 55 -8.735 11.846 3.350 389 HB3 ASP 55 2HB ASP 55 -7.557 10.873 2.473 390 H LEU 56 H LEU 56 -8.612 9.028 0.813 391 HA LEU 56 HA LEU 56 -6.773 9.459 -1.280 392 HB2 LEU 56 1HB LEU 56 -7.255 7.386 0.283 393 HB3 LEU 56 2HB LEU 56 -8.264 6.891 -1.075 394 HG LEU 56 HG LEU 56 -6.274 7.007 -2.543 395 HD11 LEU 56 1HD1 LEU 56 -5.175 8.519 -0.537 396 HD12 LEU 56 2HD1 LEU 56 -4.297 7.812 -1.893 397 HD13 LEU 56 3HD1 LEU 56 -4.360 6.966 -0.347 398 HD21 LEU 56 3HD2 LEU 56 -6.175 4.835 -2.110 399 HD22 LEU 56 1HD2 LEU 56 -6.858 5.097 -0.505 400 HD23 LEU 56 2HD2 LEU 56 -5.112 5.171 -0.743 401 H LYS 57 H LYS 57 -7.026 8.536 -3.502 402 HA LYS 57 HA LYS 57 -9.618 8.274 -4.646 403 HB2 LYS 57 1HB LYS 57 -9.424 10.306 -6.129 404 HB3 LYS 57 2HB LYS 57 -9.793 10.638 -4.442 405 HG2 LYS 57 1HG LYS 57 -7.519 11.289 -4.017 406 HG3 LYS 57 2HG LYS 57 -7.040 10.812 -5.648 407 HD2 LYS 57 1HD LYS 57 -9.160 12.885 -5.169 408 HD3 LYS 57 2HD LYS 57 -7.445 13.304 -5.200 409 HE2 LYS 57 1HE LYS 57 -7.436 12.032 -7.459 410 HE3 LYS 57 2HE LYS 57 -9.183 12.260 -7.404 411 HZ1 LYS 57 3HZ LYS 57 -7.066 14.315 -7.552 412 HZ2 LYS 57 1HZ LYS 57 -8.624 14.700 -7.017 413 HZ3 LYS 57 2HZ LYS 57 -8.392 14.089 -8.577 414 H VAL 58 H VAL 58 -9.523 7.988 -7.008 415 HA VAL 58 HA VAL 58 -7.227 6.454 -7.744 416 HB VAL 58 HB VAL 58 -9.697 7.266 -9.268 417 HG11 VAL 58 1HG1 VAL 58 -8.544 5.195 -10.674 418 HG12 VAL 58 2HG1 VAL 58 -8.550 6.895 -11.148 419 HG13 VAL 58 3HG1 VAL 58 -7.172 6.227 -10.272 420 HG21 VAL 58 3HG2 VAL 58 -10.601 5.421 -8.417 421 HG22 VAL 58 1HG2 VAL 58 -9.236 4.446 -8.963 422 HG23 VAL 58 2HG2 VAL 58 -9.175 5.249 -7.394 423 H GLY 59 H GLY 59 -5.380 7.280 -8.456 424 HA2 GLY 59 1HA GLY 59 -4.245 8.399 -10.289 425 HA3 GLY 59 2HA GLY 59 -5.500 9.627 -10.240 426 H ASP 60 H ASP 60 -4.215 8.434 -7.260 427 HA ASP 60 HA ASP 60 -2.623 10.897 -6.975 428 HB2 ASP 60 1HB ASP 60 -4.536 9.606 -5.044 429 HB3 ASP 60 2HB ASP 60 -3.251 10.670 -4.480 430 H ASP 61 H ASP 61 -0.578 10.647 -6.325 431 HA ASP 61 HA ASP 61 0.646 8.135 -6.228 432 HB2 ASP 61 1HB ASP 61 1.520 10.886 -5.390 433 HB3 ASP 61 2HB ASP 61 2.555 9.490 -5.104 434 H VAL 62 H VAL 62 1.245 6.780 -4.599 435 HA VAL 62 HA VAL 62 0.832 7.546 -1.827 436 HB VAL 62 HB VAL 62 -0.461 5.312 -1.505 437 HG11 VAL 62 1HG1 VAL 62 -1.241 8.001 -1.873 438 HG12 VAL 62 2HG1 VAL 62 -2.454 6.993 -2.663 439 HG13 VAL 62 3HG1 VAL 62 -2.069 6.741 -0.960 440 HG21 VAL 62 3HG2 VAL 62 -2.056 5.287 -3.687 441 HG22 VAL 62 1HG2 VAL 62 -0.502 5.675 -4.426 442 HG23 VAL 62 2HG2 VAL 62 -0.679 4.209 -3.461 443 H GLU 63 H GLU 63 2.055 6.371 -0.394 444 HA GLU 63 HA GLU 63 3.987 4.533 -1.609 445 HB2 GLU 63 1HB GLU 63 4.637 6.618 -0.216 446 HB3 GLU 63 2HB GLU 63 4.183 5.645 1.175 447 HG2 GLU 63 1HG GLU 63 5.804 3.910 0.364 448 HG3 GLU 63 2HG GLU 63 6.356 5.089 -0.824 449 H PHE 64 H PHE 64 4.241 2.453 -0.946 450 HA PHE 64 HA PHE 64 2.794 1.482 1.384 451 HB2 PHE 64 1HB PHE 64 1.868 -0.431 -0.055 452 HB3 PHE 64 2HB PHE 64 1.073 1.134 -0.185 453 HD1 PHE 64 1HD PHE 64 1.523 2.579 -2.158 454 HD2 PHE 64 2HD PHE 64 2.915 -1.436 -1.913 455 HE1 PHE 64 1HE PHE 64 1.869 2.554 -4.594 456 HE2 PHE 64 2HE PHE 64 3.264 -1.468 -4.349 457 HZ PHE 64 HZ PHE 64 2.741 0.529 -5.692 458 H GLU 65 H GLU 65 3.170 -1.042 1.489 459 HA GLU 65 HA GLU 65 5.993 -1.534 0.801 460 HB2 GLU 65 1HB GLU 65 6.058 -1.314 3.116 461 HB3 GLU 65 2HB GLU 65 4.475 -2.048 3.331 462 HG2 GLU 65 1HG GLU 65 5.296 -4.198 3.129 463 HG3 GLU 65 2HG GLU 65 6.749 -3.672 2.281 464 H VAL 66 H VAL 66 6.108 -3.028 -0.732 465 HA VAL 66 HA VAL 66 4.013 -4.852 -1.323 466 HB VAL 66 HB VAL 66 6.888 -4.852 -2.252 467 HG11 VAL 66 1HG1 VAL 66 6.050 -7.041 -2.592 468 HG12 VAL 66 2HG1 VAL 66 4.494 -6.433 -3.161 469 HG13 VAL 66 3HG1 VAL 66 5.941 -6.219 -4.148 470 HG21 VAL 66 3HG2 VAL 66 6.066 -3.763 -4.240 471 HG22 VAL 66 1HG2 VAL 66 4.407 -3.856 -3.647 472 HG23 VAL 66 2HG2 VAL 66 5.580 -2.826 -2.827 473 H SER 67 H SER 67 3.538 -6.687 -0.328 474 HA SER 67 HA SER 67 5.709 -8.248 0.894 475 HB2 SER 67 1HB SER 67 4.130 -6.833 2.489 476 HB3 SER 67 2HB SER 67 3.043 -8.200 2.243 477 HG SER 67 HG SER 67 5.719 -8.696 2.908 478 H SER 68 H SER 68 4.597 -10.461 1.676 479 HA SER 68 HA SER 68 3.182 -11.488 -0.694 480 HB2 SER 68 1HB SER 68 5.094 -12.860 1.206 481 HB3 SER 68 2HB SER 68 4.148 -13.717 -0.011 482 HG SER 68 HG SER 68 5.837 -13.275 -1.203 483 H ASP 69 H ASP 69 1.272 -12.494 -0.461 484 HA ASP 69 HA ASP 69 -0.124 -12.284 2.010 485 HB2 ASP 69 1HB ASP 69 -1.215 -12.109 -0.220 486 HB3 ASP 69 2HB ASP 69 -0.915 -13.827 -0.469 487 H ARG 70 H ARG 70 -1.374 -14.231 2.878 488 HA ARG 70 HA ARG 70 0.534 -16.440 3.230 489 HB2 ARG 70 1HB ARG 70 -1.804 -15.793 5.022 490 HB3 ARG 70 2HB ARG 70 -0.426 -16.828 5.374 491 HG2 ARG 70 1HG ARG 70 -0.210 -13.865 4.910 492 HG3 ARG 70 2HG ARG 70 -0.394 -14.603 6.502 493 HD2 ARG 70 1HD ARG 70 1.880 -14.462 6.418 494 HD3 ARG 70 2HD ARG 70 1.662 -16.044 5.670 495 HE ARG 70 HE ARG 70 1.655 -13.928 3.752 496 HH11 ARG 70 2HH1 ARG 70 3.711 -15.965 5.689 497 HH12 ARG 70 1HH1 ARG 70 5.064 -15.842 4.614 498 HH21 ARG 70 1HH2 ARG 70 4.904 -14.587 2.705 499 HH22 ARG 70 2HH2 ARG 70 3.431 -13.759 2.330 500 H ARG 71 H ARG 71 -2.195 -15.702 1.551 501 HA ARG 71 HA ARG 71 -3.219 -18.461 1.679 502 HB2 ARG 71 1HB ARG 71 -4.646 -15.973 0.720 503 HB3 ARG 71 2HB ARG 71 -5.336 -17.587 0.823 504 HG2 ARG 71 1HG ARG 71 -4.250 -16.174 3.235 505 HG3 ARG 71 2HG ARG 71 -5.908 -15.941 2.675 506 HD2 ARG 71 1HD ARG 71 -6.153 -18.456 2.765 507 HD3 ARG 71 2HD ARG 71 -4.606 -18.488 3.612 508 HE ARG 71 HE ARG 71 -7.148 -17.716 4.687 509 HH11 ARG 71 2HH1 ARG 71 -3.703 -17.294 4.955 510 HH12 ARG 71 1HH1 ARG 71 -3.757 -16.840 6.626 511 HH21 ARG 71 1HH2 ARG 71 -5.766 -16.742 7.724 512 HH22 ARG 71 2HH2 ARG 71 -7.233 -17.120 6.887 513 H THR 72 H THR 72 -2.337 -15.814 -0.489 514 HA THR 72 HA THR 72 -2.286 -17.737 -2.722 515 HB THR 72 HB THR 72 -2.527 -15.858 -4.248 516 HG1 THR 72 1HG THR 72 -2.208 -13.870 -3.592 517 HG21 THR 72 3HG2 THR 72 -4.597 -16.813 -3.539 518 HG22 THR 72 1HG2 THR 72 -4.804 -15.062 -3.529 519 HG23 THR 72 2HG2 THR 72 -4.551 -15.930 -2.014 520 H GLY 73 H GLY 73 -0.419 -15.638 -0.750 521 HA2 GLY 73 1HA GLY 73 1.849 -15.281 -0.645 522 HA3 GLY 73 2HA GLY 73 2.033 -16.590 -1.804 523 H LYS 74 H LYS 74 -0.031 -14.095 -2.843 524 HA LYS 74 HA LYS 74 1.866 -13.320 -4.882 525 HB2 LYS 74 1HB LYS 74 -0.989 -12.480 -4.353 526 HB3 LYS 74 2HB LYS 74 -0.036 -11.925 -5.724 527 HG2 LYS 74 1HG LYS 74 0.261 -14.531 -6.096 528 HG3 LYS 74 2HG LYS 74 -1.264 -14.572 -5.209 529 HD2 LYS 74 1HD LYS 74 -1.885 -12.647 -6.920 530 HD3 LYS 74 2HD LYS 74 -0.648 -13.447 -7.892 531 HE2 LYS 74 1HE LYS 74 -1.854 -15.426 -8.021 532 HE3 LYS 74 2HE LYS 74 -2.822 -15.045 -6.598 533 HZ1 LYS 74 3HZ LYS 74 -4.023 -13.410 -7.837 534 HZ2 LYS 74 1HZ LYS 74 -4.051 -14.857 -8.714 535 HZ3 LYS 74 2HZ LYS 74 -3.019 -13.602 -9.185 536 HA PRO 75 HA PRO 75 3.351 -9.602 -3.081 537 HB2 PRO 75 2HB PRO 75 4.723 -9.402 -4.913 538 HB3 PRO 75 1HB PRO 75 3.660 -8.038 -5.278 539 HG2 PRO 75 1HG PRO 75 2.402 -9.261 -6.799 540 HG3 PRO 75 2HG PRO 75 3.990 -10.015 -7.033 541 HD2 PRO 75 1HD PRO 75 1.779 -11.441 -6.390 542 HD3 PRO 75 2HD PRO 75 3.406 -11.905 -5.850 543 H ILE 76 H ILE 76 1.673 -8.798 -1.838 544 HA ILE 76 HA ILE 76 -0.242 -7.018 -3.192 545 HB ILE 76 HB ILE 76 -1.642 -7.221 -1.177 546 HG12 ILE 76 1HG1 ILE 76 0.086 -9.483 -0.236 547 HG13 ILE 76 2HG1 ILE 76 0.481 -7.833 0.234 548 HG21 ILE 76 1HG2 ILE 76 -0.842 -9.689 -2.676 549 HG22 ILE 76 2HG2 ILE 76 -2.117 -9.737 -1.459 550 HG23 ILE 76 3HG2 ILE 76 -2.282 -8.688 -2.867 551 HD11 ILE 76 3HD1 ILE 76 -1.154 -9.474 1.617 552 HD12 ILE 76 1HD1 ILE 76 -1.215 -7.713 1.688 553 HD13 ILE 76 2HD1 ILE 76 -2.321 -8.592 0.632 554 H ALA 77 H ALA 77 -0.954 -5.126 -1.826 555 HA ALA 77 HA ALA 77 1.433 -3.809 -0.764 556 HB1 ALA 77 3HB ALA 77 0.675 -2.033 -1.853 557 HB2 ALA 77 1HB ALA 77 -0.732 -2.957 -2.379 558 HB3 ALA 77 2HB ALA 77 -0.791 -2.041 -0.873 559 H VAL 78 H VAL 78 1.488 -2.812 1.251 560 HA VAL 78 HA VAL 78 -0.788 -3.167 3.044 561 HB VAL 78 HB VAL 78 0.664 -4.117 4.823 562 HG11 VAL 78 1HG1 VAL 78 0.367 -6.318 4.158 563 HG12 VAL 78 2HG1 VAL 78 -0.786 -5.450 3.142 564 HG13 VAL 78 3HG1 VAL 78 0.762 -5.970 2.475 565 HG21 VAL 78 3HG2 VAL 78 2.651 -4.882 2.729 566 HG22 VAL 78 1HG2 VAL 78 2.777 -3.312 3.522 567 HG23 VAL 78 2HG2 VAL 78 2.843 -4.791 4.480 568 H LYS 79 H LYS 79 -0.556 -1.968 5.061 569 HA LYS 79 HA LYS 79 -0.266 0.062 6.072 570 HB2 LYS 79 1HB LYS 79 2.639 -0.382 5.381 571 HB3 LYS 79 2HB LYS 79 1.991 0.529 6.739 572 HG2 LYS 79 1HG LYS 79 1.533 -1.339 7.957 573 HG3 LYS 79 2HG LYS 79 1.272 -2.342 6.528 574 HD2 LYS 79 1HD LYS 79 3.861 -1.858 6.187 575 HD3 LYS 79 2HD LYS 79 3.795 -1.652 7.939 576 HE2 LYS 79 1HE LYS 79 2.926 -3.862 8.230 577 HE3 LYS 79 2HE LYS 79 2.719 -4.066 6.492 578 HZ1 LYS 79 3HZ LYS 79 5.323 -3.523 6.631 579 HZ2 LYS 79 1HZ LYS 79 4.693 -5.093 6.671 580 HZ3 LYS 79 2HZ LYS 79 5.111 -4.312 8.112 581 H LEU 80 H LEU 80 -1.190 0.555 3.626 582 HA LEU 80 HA LEU 80 0.437 2.126 1.946 583 HB2 LEU 80 1HB LEU 80 -2.102 1.107 1.830 584 HB3 LEU 80 2HB LEU 80 -2.400 2.837 1.985 585 HG LEU 80 HG LEU 80 -0.548 2.828 0.012 586 HD11 LEU 80 1HD1 LEU 80 -0.938 0.189 0.218 587 HD12 LEU 80 2HD1 LEU 80 -0.568 0.994 -1.307 588 HD13 LEU 80 3HD1 LEU 80 -2.237 0.587 -0.907 589 HD21 LEU 80 3HD2 LEU 80 -2.483 4.089 -0.266 590 HD22 LEU 80 1HD2 LEU 80 -3.541 2.697 -0.037 591 HD23 LEU 80 2HD2 LEU 80 -2.614 2.863 -1.528 592 H VAL 81 H VAL 81 0.588 4.367 1.691 593 HA VAL 81 HA VAL 81 -0.675 6.147 3.578 594 HB VAL 81 HB VAL 81 1.463 7.092 4.420 595 HG11 VAL 81 1HG1 VAL 81 0.051 5.355 5.632 596 HG12 VAL 81 2HG1 VAL 81 1.279 4.183 5.148 597 HG13 VAL 81 3HG1 VAL 81 1.718 5.549 6.175 598 HG21 VAL 81 3HG2 VAL 81 3.292 5.075 4.230 599 HG22 VAL 81 1HG2 VAL 81 2.547 5.046 2.631 600 HG23 VAL 81 2HG2 VAL 81 3.283 6.531 3.235 601 H LYS 82 H LYS 82 -1.192 7.900 2.464 602 HA LYS 82 HA LYS 82 -0.345 8.431 -0.142 603 HB2 LYS 82 1HB LYS 82 -2.387 9.322 1.250 604 HB3 LYS 82 2HB LYS 82 -1.296 10.647 1.633 605 HG2 LYS 82 1HG LYS 82 -1.260 11.424 -0.526 606 HG3 LYS 82 2HG LYS 82 -1.668 9.851 -1.214 607 HD2 LYS 82 1HD LYS 82 -3.931 10.077 -0.689 608 HD3 LYS 82 2HD LYS 82 -3.624 11.342 0.503 609 HE2 LYS 82 1HE LYS 82 -3.068 11.716 -2.427 610 HE3 LYS 82 2HE LYS 82 -4.643 12.062 -1.716 611 HZ1 LYS 82 3HZ LYS 82 -2.583 13.806 -1.876 612 HZ2 LYS 82 1HZ LYS 82 -2.451 13.249 -0.284 613 HZ3 LYS 82 2HZ LYS 82 -3.896 13.946 -0.818 614 H ILE 83 H ILE 83 1.370 9.438 -0.983 615 HA ILE 83 HA ILE 83 3.594 10.128 0.606 616 HB ILE 83 HB ILE 83 3.147 11.062 -2.223 617 HG12 ILE 83 1HG1 ILE 83 4.008 8.351 -1.206 618 HG13 ILE 83 2HG1 ILE 83 2.641 8.720 -2.251 619 HG21 ILE 83 1HG2 ILE 83 5.734 10.175 -1.007 620 HG22 ILE 83 2HG2 ILE 83 5.455 11.241 -2.383 621 HG23 ILE 83 3HG2 ILE 83 5.130 11.811 -0.746 622 HD11 ILE 83 3HD1 ILE 83 3.951 8.222 -3.961 623 HD12 ILE 83 1HD1 ILE 83 4.848 9.700 -3.615 624 HD13 ILE 83 2HD1 ILE 83 5.381 8.164 -2.932 625 H SER 84 H SER 84 1.407 12.197 -1.306 626 HA SER 84 HA SER 84 2.511 14.629 -0.351 627 HB2 SER 84 1HB SER 84 1.023 14.137 -2.459 628 HB3 SER 84 2HB SER 84 -0.311 14.452 -1.350 629 HG SER 84 HG SER 84 1.694 16.310 -1.201 630 H GLY 85 H GLY 85 2.501 15.024 1.784 631 HA2 GLY 85 1HA GLY 85 0.409 15.997 3.189 632 HA3 GLY 85 2HA GLY 85 0.261 14.265 3.449 633 HA PRO 86 HA PRO 86 4.512 15.452 5.401 634 HB2 PRO 86 2HB PRO 86 5.618 16.981 4.090 635 HB3 PRO 86 1HB PRO 86 5.187 18.082 5.404 636 HG2 PRO 86 1HG PRO 86 3.366 18.947 4.253 637 HG3 PRO 86 2HG PRO 86 4.454 18.602 2.896 638 HD2 PRO 86 1HD PRO 86 1.942 17.601 3.040 639 HD3 PRO 86 2HD PRO 86 3.277 16.723 2.266 640 H SER 87 H SER 87 4.759 15.757 7.573 641 HA SER 87 HA SER 87 2.494 16.900 8.991 642 HB2 SER 87 1HB SER 87 3.295 14.718 9.718 643 HB3 SER 87 2HB SER 87 4.911 15.371 9.987 644 HG SER 87 HG SER 87 3.729 16.873 11.486 645 H SER 88 H SER 88 2.523 18.717 10.198 646 HA SER 88 HA SER 88 4.471 20.683 9.729 647 HB2 SER 88 1HB SER 88 3.297 21.990 11.458 648 HB3 SER 88 2HB SER 88 2.159 21.233 10.344 649 HG SER 88 HG SER 88 1.311 20.296 12.008 650 H GLY 89 H GLY 89 3.871 18.649 12.584 651 HA2 GLY 89 1HA GLY 89 6.501 19.491 13.627 652 HA3 GLY 89 2HA GLY 89 5.172 18.911 14.621 Start of MODEL 14 1 H1 GLY 1 H GLY 1 43.602 -4.201 14.796 2 HA2 GLY 1 1HA GLY 1 42.654 -4.972 12.600 3 HA3 GLY 1 2HA GLY 1 41.522 -5.905 13.568 4 H SER 2 H SER 2 39.648 -4.947 12.916 5 HA SER 2 HA SER 2 39.175 -2.260 13.935 6 HB2 SER 2 1HB SER 2 38.254 -1.412 11.875 7 HB3 SER 2 2HB SER 2 39.877 -2.013 11.536 8 HG SER 2 HG SER 2 38.933 -3.906 10.703 9 H SER 3 H SER 3 37.349 -2.274 15.051 10 HA SER 3 HA SER 3 35.512 -4.498 14.798 11 HB2 SER 3 1HB SER 3 36.213 -3.598 17.022 12 HB3 SER 3 2HB SER 3 35.349 -2.107 16.647 13 HG SER 3 HG SER 3 33.544 -3.792 16.225 14 H GLY 4 H GLY 4 34.582 -4.131 12.755 15 HA2 GLY 4 1HA GLY 4 32.843 -1.749 12.594 16 HA3 GLY 4 2HA GLY 4 33.505 -2.586 11.198 17 H SER 5 H SER 5 31.198 -2.533 10.547 18 HA SER 5 HA SER 5 29.981 -5.071 11.131 19 HB2 SER 5 1HB SER 5 28.498 -2.535 11.863 20 HB3 SER 5 2HB SER 5 27.819 -4.162 11.880 21 HG SER 5 HG SER 5 29.637 -4.618 13.395 22 H SER 6 H SER 6 29.759 -5.698 9.078 23 HA SER 6 HA SER 6 29.109 -5.764 6.898 24 HB2 SER 6 1HB SER 6 27.018 -4.067 8.193 25 HB3 SER 6 2HB SER 6 27.033 -4.182 6.433 26 HG SER 6 HG SER 6 26.888 -6.444 6.647 27 H GLY 7 H GLY 7 31.290 -4.148 7.385 28 HA2 GLY 7 1HA GLY 7 31.170 -1.524 6.453 29 HA3 GLY 7 2HA GLY 7 32.586 -2.560 6.354 30 H GLY 8 H GLY 8 30.960 -0.592 4.516 31 HA2 GLY 8 1HA GLY 8 31.509 -0.568 2.146 32 HA3 GLY 8 2HA GLY 8 31.238 -2.304 2.127 33 H TYR 9 H TYR 9 29.539 -2.673 0.862 34 HA TYR 9 HA TYR 9 27.015 -1.360 1.521 35 HB2 TYR 9 1HB TYR 9 26.515 -0.771 -0.754 36 HB3 TYR 9 2HB TYR 9 28.079 -0.074 -0.348 37 HD1 TYR 9 1HD TYR 9 30.148 -1.621 -0.959 38 HD2 TYR 9 2HD TYR 9 26.307 -1.875 -2.771 39 HE1 TYR 9 1HE TYR 9 31.152 -2.718 -2.919 40 HE2 TYR 9 2HE TYR 9 27.300 -2.974 -4.735 41 HH TYR 9 HH TYR 9 29.151 -3.930 -5.570 42 HA PRO 10 HA PRO 10 24.976 -1.337 0.377 43 HB2 PRO 10 2HB PRO 10 23.033 -2.444 -0.151 44 HB3 PRO 10 1HB PRO 10 22.750 -2.309 1.589 45 HG2 PRO 10 1HG PRO 10 23.456 -4.482 2.000 46 HG3 PRO 10 2HG PRO 10 22.747 -4.688 0.388 47 HD2 PRO 10 1HD PRO 10 25.303 -5.381 0.955 48 HD3 PRO 10 2HD PRO 10 24.806 -4.786 -0.643 49 H ASN 11 H ASN 11 24.968 0.152 1.970 50 HA ASN 11 HA ASN 11 26.101 -0.511 4.508 51 HB2 ASN 11 1HB ASN 11 26.536 1.642 3.359 52 HB3 ASN 11 2HB ASN 11 24.850 2.090 3.598 53 HD21 ASN 11 2HD2 ASN 11 26.210 3.798 6.361 54 HD22 ASN 11 1HD2 ASN 11 25.751 3.940 4.701 55 H GLY 12 H GLY 12 24.959 -1.517 6.031 56 HA2 GLY 12 1HA GLY 12 23.290 -1.093 7.791 57 HA3 GLY 12 2HA GLY 12 22.195 -0.589 6.512 58 H THR 13 H THR 13 21.268 -2.418 8.227 59 HA THR 13 HA THR 13 21.703 -5.072 7.099 60 HB THR 13 HB THR 13 20.252 -5.877 8.920 61 HG1 THR 13 1HG THR 13 20.240 -3.325 10.091 62 HG21 THR 13 3HG2 THR 13 22.234 -6.002 9.946 63 HG22 THR 13 1HG2 THR 13 21.808 -4.494 10.754 64 HG23 THR 13 2HG2 THR 13 22.762 -4.461 9.270 65 H SER 14 H SER 14 19.756 -6.442 6.682 66 HA SER 14 HA SER 14 18.178 -5.347 4.660 67 HB2 SER 14 1HB SER 14 16.848 -7.432 4.822 68 HB3 SER 14 2HB SER 14 18.583 -7.749 4.831 69 HG SER 14 HG SER 14 17.727 -8.951 6.467 70 H ALA 15 H ALA 15 16.167 -4.471 4.573 71 HA ALA 15 HA ALA 15 14.454 -4.449 6.912 72 HB1 ALA 15 3HB ALA 15 14.789 -2.359 7.603 73 HB2 ALA 15 1HB ALA 15 16.248 -2.366 6.612 74 HB3 ALA 15 2HB ALA 15 14.740 -1.726 5.958 75 H ALA 16 H ALA 16 12.426 -3.075 6.404 76 HA ALA 16 HA ALA 16 11.319 -4.079 3.973 77 HB1 ALA 16 3HB ALA 16 10.326 -3.081 6.410 78 HB2 ALA 16 1HB ALA 16 9.666 -2.054 5.136 79 HB3 ALA 16 2HB ALA 16 9.417 -3.800 5.081 80 H LEU 17 H LEU 17 10.917 -3.070 2.074 81 HA LEU 17 HA LEU 17 11.901 -0.308 1.805 82 HB2 LEU 17 1HB LEU 17 13.207 -1.900 0.535 83 HB3 LEU 17 2HB LEU 17 11.748 -2.527 -0.229 84 HG LEU 17 HG LEU 17 13.359 -0.853 -1.478 85 HD11 LEU 17 1HD1 LEU 17 11.083 0.117 -2.479 86 HD12 LEU 17 2HD1 LEU 17 10.426 -1.227 -1.547 87 HD13 LEU 17 3HD1 LEU 17 11.642 -1.527 -2.789 88 HD21 LEU 17 3HD2 LEU 17 12.967 0.810 0.461 89 HD22 LEU 17 1HD2 LEU 17 11.420 1.118 -0.329 90 HD23 LEU 17 2HD2 LEU 17 12.928 1.409 -1.197 91 H ARG 18 H ARG 18 10.388 1.176 1.514 92 HA ARG 18 HA ARG 18 7.698 0.417 0.772 93 HB2 ARG 18 1HB ARG 18 8.799 3.183 1.289 94 HB3 ARG 18 2HB ARG 18 7.106 2.707 1.266 95 HG2 ARG 18 1HG ARG 18 9.135 1.693 3.245 96 HG3 ARG 18 2HG ARG 18 8.018 3.027 3.540 97 HD2 ARG 18 1HD ARG 18 6.906 0.432 2.605 98 HD3 ARG 18 2HD ARG 18 7.455 0.551 4.276 99 HE ARG 18 HE ARG 18 5.161 1.862 3.092 100 HH11 ARG 18 2HH1 ARG 18 7.376 1.702 5.773 101 HH12 ARG 18 1HH1 ARG 18 6.309 2.510 6.873 102 HH21 ARG 18 1HH2 ARG 18 4.244 3.205 6.165 103 HH22 ARG 18 2HH2 ARG 18 3.746 2.927 4.531 104 H GLU 19 H GLU 19 6.839 0.538 -1.199 105 HA GLU 19 HA GLU 19 8.406 1.855 -3.309 106 HB2 GLU 19 1HB GLU 19 6.256 -0.256 -3.561 107 HB3 GLU 19 2HB GLU 19 7.203 0.413 -4.883 108 HG2 GLU 19 1HG GLU 19 8.550 -0.927 -2.577 109 HG3 GLU 19 2HG GLU 19 7.856 -1.874 -3.891 110 H THR 20 H THR 20 7.292 3.050 -4.953 111 HA THR 20 HA THR 20 4.746 4.203 -4.013 112 HB THR 20 HB THR 20 5.358 6.323 -4.936 113 HG1 THR 20 1HG THR 20 7.903 5.430 -5.727 114 HG21 THR 20 3HG2 THR 20 7.915 6.269 -3.840 115 HG22 THR 20 1HG2 THR 20 7.043 4.994 -2.991 116 HG23 THR 20 2HG2 THR 20 6.414 6.641 -2.993 117 H GLY 21 H GLY 21 3.096 4.479 -5.466 118 HA2 GLY 21 1HA GLY 21 3.589 3.872 -8.287 119 HA3 GLY 21 2HA GLY 21 2.463 2.839 -7.420 120 H VAL 22 H VAL 22 0.565 3.353 -8.366 121 HA VAL 22 HA VAL 22 -0.541 5.963 -7.781 122 HB VAL 22 HB VAL 22 0.644 6.016 -10.099 123 HG11 VAL 22 1HG1 VAL 22 -0.501 3.841 -10.765 124 HG12 VAL 22 2HG1 VAL 22 -1.962 4.806 -10.980 125 HG13 VAL 22 3HG1 VAL 22 -0.526 5.150 -11.945 126 HG21 VAL 22 3HG2 VAL 22 -1.133 7.502 -10.976 127 HG22 VAL 22 1HG2 VAL 22 -2.205 6.922 -9.700 128 HG23 VAL 22 2HG2 VAL 22 -0.742 7.816 -9.285 129 H ILE 23 H ILE 23 -2.538 5.653 -7.068 130 HA ILE 23 HA ILE 23 -3.842 3.215 -6.973 131 HB ILE 23 HB ILE 23 -5.163 5.932 -6.946 132 HG12 ILE 23 1HG1 ILE 23 -3.196 5.384 -5.308 133 HG13 ILE 23 2HG1 ILE 23 -4.667 6.126 -4.688 134 HG21 ILE 23 1HG2 ILE 23 -6.923 4.853 -5.676 135 HG22 ILE 23 2HG2 ILE 23 -6.713 4.044 -7.228 136 HG23 ILE 23 3HG2 ILE 23 -6.069 3.312 -5.759 137 HD11 ILE 23 3HD1 ILE 23 -4.314 3.157 -4.673 138 HD12 ILE 23 1HD1 ILE 23 -3.640 4.169 -3.396 139 HD13 ILE 23 2HD1 ILE 23 -5.380 4.157 -3.687 140 H GLU 24 H GLU 24 -3.948 2.155 -8.931 141 HA GLU 24 HA GLU 24 -4.907 3.321 -11.326 142 HB2 GLU 24 1HB GLU 24 -3.492 1.210 -11.062 143 HB3 GLU 24 2HB GLU 24 -4.992 0.381 -10.671 144 HG2 GLU 24 1HG GLU 24 -4.438 0.061 -12.996 145 HG3 GLU 24 2HG GLU 24 -5.910 1.019 -12.846 146 H LYS 25 H LYS 25 -6.453 1.461 -8.758 147 HA LYS 25 HA LYS 25 -9.051 2.407 -9.686 148 HB2 LYS 25 1HB LYS 25 -8.311 -0.061 -10.467 149 HB3 LYS 25 2HB LYS 25 -8.982 -0.449 -8.888 150 HG2 LYS 25 1HG LYS 25 -10.602 1.294 -10.648 151 HG3 LYS 25 2HG LYS 25 -10.446 -0.404 -11.107 152 HD2 LYS 25 1HD LYS 25 -11.077 0.187 -8.270 153 HD3 LYS 25 2HD LYS 25 -12.352 0.470 -9.458 154 HE2 LYS 25 1HE LYS 25 -10.816 -2.111 -9.199 155 HE3 LYS 25 2HE LYS 25 -12.375 -1.808 -8.434 156 HZ1 LYS 25 3HZ LYS 25 -13.466 -1.854 -10.426 157 HZ2 LYS 25 1HZ LYS 25 -12.233 -2.967 -10.749 158 HZ3 LYS 25 2HZ LYS 25 -12.113 -1.381 -11.325 159 H LEU 26 H LEU 26 -10.739 2.178 -8.068 160 HA LEU 26 HA LEU 26 -9.842 1.570 -5.358 161 HB2 LEU 26 1HB LEU 26 -9.566 4.070 -6.011 162 HB3 LEU 26 2HB LEU 26 -11.319 4.126 -5.839 163 HG LEU 26 HG LEU 26 -10.851 3.129 -3.480 164 HD11 LEU 26 1HD1 LEU 26 -8.697 3.961 -2.558 165 HD12 LEU 26 2HD1 LEU 26 -8.179 4.317 -4.205 166 HD13 LEU 26 3HD1 LEU 26 -8.517 2.653 -3.728 167 HD21 LEU 26 3HD2 LEU 26 -10.521 5.944 -4.421 168 HD22 LEU 26 1HD2 LEU 26 -10.292 5.558 -2.715 169 HD23 LEU 26 2HD2 LEU 26 -11.835 5.212 -3.497 170 H LEU 27 H LEU 27 -11.381 0.613 -4.164 171 HA LEU 27 HA LEU 27 -14.163 0.757 -5.120 172 HB2 LEU 27 1HB LEU 27 -12.866 -1.689 -3.938 173 HB3 LEU 27 2HB LEU 27 -14.478 -1.566 -4.639 174 HG LEU 27 HG LEU 27 -13.156 -0.943 -6.814 175 HD11 LEU 27 1HD1 LEU 27 -10.985 -0.955 -5.448 176 HD12 LEU 27 2HD1 LEU 27 -10.988 -1.772 -7.011 177 HD13 LEU 27 3HD1 LEU 27 -11.109 -2.713 -5.525 178 HD21 LEU 27 3HD2 LEU 27 -14.113 -3.393 -5.656 179 HD22 LEU 27 1HD2 LEU 27 -12.736 -3.708 -6.712 180 HD23 LEU 27 2HD2 LEU 27 -14.149 -2.858 -7.337 181 H THR 28 H THR 28 -15.490 -0.565 -3.220 182 HA THR 28 HA THR 28 -15.228 1.194 -0.933 183 HB THR 28 HB THR 28 -17.427 0.313 -2.144 184 HG1 THR 28 1HG THR 28 -16.875 1.111 0.469 185 HG21 THR 28 3HG2 THR 28 -16.988 -1.685 0.079 186 HG22 THR 28 1HG2 THR 28 -17.026 -2.046 -1.647 187 HG23 THR 28 2HG2 THR 28 -18.483 -1.475 -0.833 188 H SER 29 H SER 29 -14.585 -2.120 -1.759 189 HA SER 29 HA SER 29 -14.152 -2.846 1.038 190 HB2 SER 29 1HB SER 29 -13.719 -5.136 0.071 191 HB3 SER 29 2HB SER 29 -15.339 -4.505 -0.226 192 HG SER 29 HG SER 29 -14.111 -5.473 -2.064 193 H TYR 30 H TYR 30 -12.416 -1.956 -1.804 194 HA TYR 30 HA TYR 30 -9.983 -1.606 -0.448 195 HB2 TYR 30 1HB TYR 30 -8.772 -3.428 -1.924 196 HB3 TYR 30 2HB TYR 30 -9.472 -3.851 -0.365 197 HD1 TYR 30 1HD TYR 30 -10.352 -3.739 -3.992 198 HD2 TYR 30 2HD TYR 30 -10.919 -5.656 -0.236 199 HE1 TYR 30 1HE TYR 30 -11.726 -5.461 -5.086 200 HE2 TYR 30 2HE TYR 30 -12.294 -7.385 -1.320 201 HH TYR 30 HH TYR 30 -12.508 -8.360 -3.671 202 H GLY 31 H GLY 31 -8.100 -1.653 -2.317 203 HA2 GLY 31 1HA GLY 31 -9.173 -0.543 -4.799 204 HA3 GLY 31 2HA GLY 31 -8.201 0.529 -3.802 205 H PHE 32 H PHE 32 -7.526 -0.153 -6.432 206 HA PHE 32 HA PHE 32 -5.270 -2.006 -6.103 207 HB2 PHE 32 1HB PHE 32 -6.652 -0.987 -8.591 208 HB3 PHE 32 2HB PHE 32 -5.211 -1.998 -8.610 209 HD1 PHE 32 2HD PHE 32 -8.754 -1.901 -7.538 210 HD2 PHE 32 1HD PHE 32 -5.371 -4.323 -8.434 211 HE1 PHE 32 2HE PHE 32 -10.169 -3.910 -7.431 212 HE2 PHE 32 1HE PHE 32 -6.781 -6.337 -8.329 213 HZ PHE 32 HZ PHE 32 -9.183 -6.132 -7.827 214 H ILE 33 H ILE 33 -3.203 -1.434 -6.980 215 HA ILE 33 HA ILE 33 -2.773 1.430 -7.439 216 HB ILE 33 HB ILE 33 -1.264 -0.259 -5.446 217 HG12 ILE 33 1HG1 ILE 33 -2.469 2.441 -4.942 218 HG13 ILE 33 2HG1 ILE 33 -3.490 1.008 -4.913 219 HG21 ILE 33 1HG2 ILE 33 -0.039 2.031 -5.139 220 HG22 ILE 33 2HG2 ILE 33 0.478 0.904 -6.392 221 HG23 ILE 33 3HG2 ILE 33 -0.532 2.288 -6.812 222 HD11 ILE 33 3HD1 ILE 33 -1.500 0.190 -3.310 223 HD12 ILE 33 1HD1 ILE 33 -1.456 1.925 -3.000 224 HD13 ILE 33 2HD1 ILE 33 -2.946 1.019 -2.736 225 H GLN 34 H GLN 34 -1.854 1.593 -9.368 226 HA GLN 34 HA GLN 34 -0.332 -0.593 -10.491 227 HB2 GLN 34 1HB GLN 34 -1.837 0.566 -11.965 228 HB3 GLN 34 2HB GLN 34 -1.107 2.117 -11.573 229 HG2 GLN 34 1HG GLN 34 -0.064 1.761 -13.537 230 HG3 GLN 34 2HG GLN 34 1.056 0.877 -12.501 231 HE21 GLN 34 2HE2 GLN 34 0.213 -2.294 -13.734 232 HE22 GLN 34 1HE2 GLN 34 0.909 -1.409 -12.424 233 H CYS 35 H CYS 35 1.666 -0.823 -9.677 234 HA CYS 35 HA CYS 35 3.298 1.107 -8.572 235 HB2 CYS 35 1HB CYS 35 4.222 -1.319 -10.124 236 HB3 CYS 35 2HB CYS 35 5.151 -0.438 -8.917 237 HG CYS 35 HG CYS 35 3.034 -2.921 -8.507 238 H SER 36 H SER 36 4.742 2.580 -9.309 239 HA SER 36 HA SER 36 4.722 3.090 -12.193 240 HB2 SER 36 1HB SER 36 5.448 4.821 -9.826 241 HB3 SER 36 2HB SER 36 5.716 5.317 -11.497 242 HG SER 36 HG SER 36 3.205 4.561 -10.410 243 H GLU 37 H GLU 37 6.548 1.379 -10.142 244 HA GLU 37 HA GLU 37 9.090 2.138 -11.418 245 HB2 GLU 37 1HB GLU 37 8.688 0.542 -8.883 246 HB3 GLU 37 2HB GLU 37 10.223 1.092 -9.541 247 HG2 GLU 37 1HG GLU 37 9.041 3.452 -9.330 248 HG3 GLU 37 2HG GLU 37 8.131 2.599 -8.084 249 H ARG 38 H ARG 38 7.039 -0.599 -10.522 250 HA ARG 38 HA ARG 38 8.671 -2.363 -12.204 251 HB2 ARG 38 1HB ARG 38 7.435 -4.205 -11.144 252 HB3 ARG 38 2HB ARG 38 8.220 -3.178 -9.952 253 HG2 ARG 38 1HG ARG 38 6.135 -2.121 -9.408 254 HG3 ARG 38 2HG ARG 38 5.315 -2.982 -10.711 255 HD2 ARG 38 1HD ARG 38 6.404 -4.063 -8.133 256 HD3 ARG 38 2HD ARG 38 4.763 -4.173 -8.769 257 HE ARG 38 HE ARG 38 6.175 -5.536 -10.601 258 HH11 ARG 38 2HH1 ARG 38 6.092 -5.691 -7.124 259 HH12 ARG 38 1HH1 ARG 38 6.479 -7.378 -7.060 260 HH21 ARG 38 1HH2 ARG 38 6.817 -8.553 -8.997 261 HH22 ARG 38 2HH2 ARG 38 6.685 -7.758 -10.529 262 H GLN 39 H GLN 39 5.806 -0.566 -12.249 263 HA GLN 39 HA GLN 39 4.125 -0.356 -13.766 264 HB2 GLN 39 1HB GLN 39 6.211 -1.827 -15.290 265 HB3 GLN 39 2HB GLN 39 4.591 -1.791 -15.972 266 HG2 GLN 39 1HG GLN 39 4.607 0.628 -15.963 267 HG3 GLN 39 2HG GLN 39 6.193 0.635 -15.192 268 HE21 GLN 39 2HE2 GLN 39 7.880 0.561 -18.187 269 HE22 GLN 39 1HE2 GLN 39 7.830 0.947 -16.504 270 H ALA 40 H ALA 40 3.700 -2.157 -11.743 271 HA ALA 40 HA ALA 40 2.102 -4.227 -13.099 272 HB1 ALA 40 3HB ALA 40 4.198 -4.572 -11.156 273 HB2 ALA 40 1HB ALA 40 2.669 -5.208 -10.548 274 HB3 ALA 40 2HB ALA 40 3.317 -5.785 -12.084 275 H ARG 41 H ARG 41 0.037 -4.503 -12.394 276 HA ARG 41 HA ARG 41 -1.058 -2.434 -10.712 277 HB2 ARG 41 1HB ARG 41 -2.146 -4.573 -12.470 278 HB3 ARG 41 2HB ARG 41 -3.183 -3.986 -11.177 279 HG2 ARG 41 1HG ARG 41 -3.398 -1.905 -12.100 280 HG3 ARG 41 2HG ARG 41 -1.849 -2.000 -12.941 281 HD2 ARG 41 1HD ARG 41 -3.765 -2.101 -14.483 282 HD3 ARG 41 2HD ARG 41 -2.775 -3.558 -14.543 283 HE ARG 41 HE ARG 41 -4.692 -4.214 -12.765 284 HH11 ARG 41 2HH1 ARG 41 -4.798 -2.863 -15.972 285 HH12 ARG 41 1HH1 ARG 41 -6.327 -3.578 -16.364 286 HH21 ARG 41 1HH2 ARG 41 -7.411 -4.884 -14.826 287 HH22 ARG 41 2HH2 ARG 41 -6.705 -5.161 -13.269 288 H LEU 42 H LEU 42 -0.639 -2.674 -8.590 289 HA LEU 42 HA LEU 42 -0.742 -5.281 -7.331 290 HB2 LEU 42 1HB LEU 42 0.066 -2.540 -6.516 291 HB3 LEU 42 2HB LEU 42 -0.408 -3.673 -5.252 292 HG LEU 42 HG LEU 42 1.881 -3.950 -7.194 293 HD11 LEU 42 1HD1 LEU 42 3.151 -3.134 -5.569 294 HD12 LEU 42 2HD1 LEU 42 2.484 -4.277 -4.404 295 HD13 LEU 42 3HD1 LEU 42 1.679 -2.733 -4.684 296 HD21 LEU 42 3HD2 LEU 42 2.250 -6.012 -5.570 297 HD22 LEU 42 1HD2 LEU 42 1.299 -6.147 -7.050 298 HD23 LEU 42 2HD2 LEU 42 0.488 -5.948 -5.496 299 H PHE 43 H PHE 43 -1.909 -5.337 -5.118 300 HA PHE 43 HA PHE 43 -4.555 -4.073 -5.367 301 HB2 PHE 43 1HB PHE 43 -5.224 -6.190 -5.905 302 HB3 PHE 43 2HB PHE 43 -3.851 -6.942 -5.098 303 HD1 PHE 43 2HD PHE 43 -6.443 -4.630 -3.765 304 HD2 PHE 43 1HD PHE 43 -4.745 -8.532 -3.680 305 HE1 PHE 43 2HE PHE 43 -7.888 -5.213 -1.861 306 HE2 PHE 43 1HE PHE 43 -6.188 -9.122 -1.776 307 HZ PHE 43 HZ PHE 43 -7.761 -7.461 -0.864 308 H PHE 44 H PHE 44 -4.583 -2.632 -3.758 309 HA PHE 44 HA PHE 44 -3.489 -3.396 -1.145 310 HB2 PHE 44 1HB PHE 44 -3.065 -1.177 -0.729 311 HB3 PHE 44 2HB PHE 44 -2.953 -1.171 -2.486 312 HD1 PHE 44 1HD PHE 44 -4.701 -0.175 -3.843 313 HD2 PHE 44 2HD PHE 44 -4.907 -0.128 0.408 314 HE1 PHE 44 1HE PHE 44 -6.455 1.548 -3.950 315 HE2 PHE 44 2HE PHE 44 -6.662 1.594 0.308 316 HZ PHE 44 HZ PHE 44 -7.438 2.434 -1.873 317 H HIS 45 H HIS 45 -4.726 -3.501 0.664 318 HA HIS 45 HA HIS 45 -7.609 -3.516 0.269 319 HB2 HIS 45 1HB HIS 45 -6.016 -5.213 1.625 320 HB3 HIS 45 2HB HIS 45 -6.462 -4.125 2.935 321 HD1 HIS 45 1HD HIS 45 -9.354 -3.619 2.540 322 HD2 HIS 45 2HD HIS 45 -7.660 -7.341 1.805 323 HE1 HIS 45 1HE HIS 45 -11.250 -5.263 2.698 324 HE2 HIS 45 2HE HIS 45 -10.186 -7.517 2.334 325 H CYS 46 H CYS 46 -9.041 -2.156 1.236 326 HA CYS 46 HA CYS 46 -8.341 0.435 1.848 327 HB2 CYS 46 1HB CYS 46 -10.743 -1.243 2.412 328 HB3 CYS 46 2HB CYS 46 -10.616 0.319 3.211 329 HG CYS 46 HG CYS 46 -12.069 1.166 1.200 330 H SER 47 H SER 47 -7.956 -2.345 3.774 331 HA SER 47 HA SER 47 -8.007 -1.010 6.323 332 HB2 SER 47 1HB SER 47 -8.538 -3.454 5.982 333 HB3 SER 47 2HB SER 47 -6.820 -3.718 5.684 334 HG SER 47 HG SER 47 -7.308 -4.101 7.858 335 H GLN 48 H GLN 48 -5.605 -1.854 3.929 336 HA GLN 48 HA GLN 48 -3.285 -1.578 5.465 337 HB2 GLN 48 1HB GLN 48 -3.561 -0.799 2.562 338 HB3 GLN 48 2HB GLN 48 -2.104 -1.329 3.392 339 HG2 GLN 48 1HG GLN 48 -4.539 -3.018 2.867 340 HG3 GLN 48 2HG GLN 48 -3.025 -3.076 1.965 341 HE21 GLN 48 2HE2 GLN 48 -3.039 -5.806 4.452 342 HE22 GLN 48 1HE2 GLN 48 -4.038 -5.330 3.125 343 H TYR 49 H TYR 49 -4.888 0.844 3.396 344 HA TYR 49 HA TYR 49 -3.235 2.996 3.937 345 HB2 TYR 49 1HB TYR 49 -5.066 2.929 2.228 346 HB3 TYR 49 2HB TYR 49 -6.228 3.152 3.532 347 HD1 TYR 49 2HD TYR 49 -2.953 4.764 2.708 348 HD2 TYR 49 1HD TYR 49 -7.108 5.280 3.468 349 HE1 TYR 49 2HE TYR 49 -2.677 7.201 2.531 350 HE2 TYR 49 1HE TYR 49 -6.843 7.719 3.292 351 HH TYR 49 HH TYR 49 -5.350 9.408 3.197 352 H ASN 50 H ASN 50 -2.761 4.043 5.741 353 HA ASN 50 HA ASN 50 -4.222 3.571 8.165 354 HB2 ASN 50 1HB ASN 50 -1.886 3.785 8.443 355 HB3 ASN 50 2HB ASN 50 -1.820 5.248 7.466 356 HD21 ASN 50 2HD2 ASN 50 -2.247 7.384 10.135 357 HD22 ASN 50 1HD2 ASN 50 -1.858 7.139 8.469 358 H GLY 51 H GLY 51 -3.798 6.296 5.949 359 HA2 GLY 51 1HA GLY 51 -5.174 8.225 7.467 360 HA3 GLY 51 2HA GLY 51 -4.948 8.269 5.725 361 H ASN 52 H ASN 52 -6.984 8.992 5.211 362 HA ASN 52 HA ASN 52 -9.203 7.170 5.877 363 HB2 ASN 52 1HB ASN 52 -9.215 9.627 6.733 364 HB3 ASN 52 2HB ASN 52 -9.617 10.033 5.067 365 HD21 ASN 52 2HD2 ASN 52 -12.926 9.755 6.135 366 HD22 ASN 52 1HD2 ASN 52 -11.633 10.816 5.703 367 H LEU 53 H LEU 53 -9.641 5.919 4.186 368 HA LEU 53 HA LEU 53 -8.867 5.997 1.635 369 HB2 LEU 53 1HB LEU 53 -11.362 5.070 2.922 370 HB3 LEU 53 2HB LEU 53 -11.380 5.189 1.163 371 HG LEU 53 HG LEU 53 -10.855 2.925 1.910 372 HD11 LEU 53 1HD1 LEU 53 -8.226 3.643 0.884 373 HD12 LEU 53 2HD1 LEU 53 -9.551 4.379 -0.017 374 HD13 LEU 53 3HD1 LEU 53 -9.483 2.627 0.177 375 HD21 LEU 53 3HD2 LEU 53 -9.262 2.388 3.420 376 HD22 LEU 53 1HD2 LEU 53 -9.548 4.038 3.974 377 HD23 LEU 53 2HD2 LEU 53 -8.184 3.688 2.911 378 H GLN 54 H GLN 54 -11.509 7.926 2.960 379 HA GLN 54 HA GLN 54 -12.649 8.979 0.710 380 HB2 GLN 54 1HB GLN 54 -12.043 10.254 3.369 381 HB3 GLN 54 2HB GLN 54 -12.928 11.109 2.113 382 HG2 GLN 54 1HG GLN 54 -13.847 8.404 2.952 383 HG3 GLN 54 2HG GLN 54 -14.188 9.793 3.982 384 HE21 GLN 54 2HE2 GLN 54 -17.140 9.683 1.986 385 HE22 GLN 54 1HE2 GLN 54 -16.409 8.988 3.389 386 H ASP 55 H ASP 55 -9.740 10.196 2.354 387 HA ASP 55 HA ASP 55 -9.241 12.319 0.575 388 HB2 ASP 55 1HB ASP 55 -7.459 10.769 2.450 389 HB3 ASP 55 2HB ASP 55 -6.854 12.104 1.473 390 H LEU 56 H LEU 56 -8.270 8.934 0.549 391 HA LEU 56 HA LEU 56 -6.415 9.118 -1.574 392 HB2 LEU 56 1HB LEU 56 -6.966 7.201 0.151 393 HB3 LEU 56 2HB LEU 56 -8.016 6.644 -1.151 394 HG LEU 56 HG LEU 56 -6.147 6.357 -2.622 395 HD11 LEU 56 1HD1 LEU 56 -4.857 8.165 -0.766 396 HD12 LEU 56 2HD1 LEU 56 -4.436 7.762 -2.431 397 HD13 LEU 56 3HD1 LEU 56 -3.863 6.748 -1.107 398 HD21 LEU 56 3HD2 LEU 56 -6.613 4.823 -0.434 399 HD22 LEU 56 1HD2 LEU 56 -4.903 5.200 -0.227 400 HD23 LEU 56 2HD2 LEU 56 -5.460 4.422 -1.709 401 H LYS 57 H LYS 57 -6.628 8.650 -3.766 402 HA LYS 57 HA LYS 57 -9.290 8.236 -4.867 403 HB2 LYS 57 1HB LYS 57 -7.737 10.449 -6.113 404 HB3 LYS 57 2HB LYS 57 -9.477 10.204 -6.036 405 HG2 LYS 57 1HG LYS 57 -9.134 10.667 -3.488 406 HG3 LYS 57 2HG LYS 57 -7.644 11.438 -4.038 407 HD2 LYS 57 1HD LYS 57 -10.255 12.090 -5.350 408 HD3 LYS 57 2HD LYS 57 -9.813 12.853 -3.820 409 HE2 LYS 57 1HE LYS 57 -7.794 13.740 -4.802 410 HE3 LYS 57 2HE LYS 57 -8.107 12.878 -6.308 411 HZ1 LYS 57 3HZ LYS 57 -8.722 15.255 -6.375 412 HZ2 LYS 57 1HZ LYS 57 -9.889 14.969 -5.184 413 HZ3 LYS 57 2HZ LYS 57 -10.025 14.226 -6.696 414 H VAL 58 H VAL 58 -9.203 7.891 -7.256 415 HA VAL 58 HA VAL 58 -6.995 6.144 -7.877 416 HB VAL 58 HB VAL 58 -9.503 6.886 -9.373 417 HG11 VAL 58 1HG1 VAL 58 -7.041 5.827 -10.435 418 HG12 VAL 58 2HG1 VAL 58 -8.359 4.669 -10.624 419 HG13 VAL 58 3HG1 VAL 58 -8.516 6.300 -11.278 420 HG21 VAL 58 3HG2 VAL 58 -8.579 4.590 -7.727 421 HG22 VAL 58 1HG2 VAL 58 -10.161 5.364 -7.804 422 HG23 VAL 58 2HG2 VAL 58 -9.657 4.260 -9.083 423 H GLY 59 H GLY 59 -5.141 7.245 -8.295 424 HA2 GLY 59 1HA GLY 59 -4.086 8.053 -10.460 425 HA3 GLY 59 2HA GLY 59 -5.261 9.355 -10.356 426 H ASP 60 H ASP 60 -4.471 8.704 -7.258 427 HA ASP 60 HA ASP 60 -2.572 10.924 -7.184 428 HB2 ASP 60 1HB ASP 60 -4.364 9.634 -5.150 429 HB3 ASP 60 2HB ASP 60 -3.011 10.636 -4.633 430 H ASP 61 H ASP 61 -0.691 10.813 -5.786 431 HA ASP 61 HA ASP 61 0.675 8.280 -6.087 432 HB2 ASP 61 1HB ASP 61 1.470 11.070 -5.402 433 HB3 ASP 61 2HB ASP 61 2.521 9.760 -4.871 434 H VAL 62 H VAL 62 1.306 6.912 -4.487 435 HA VAL 62 HA VAL 62 0.979 7.650 -1.699 436 HB VAL 62 HB VAL 62 -0.334 5.424 -1.365 437 HG11 VAL 62 1HG1 VAL 62 -1.072 8.129 -1.620 438 HG12 VAL 62 2HG1 VAL 62 -2.329 7.182 -2.419 439 HG13 VAL 62 3HG1 VAL 62 -1.911 6.854 -0.737 440 HG21 VAL 62 3HG2 VAL 62 -1.348 6.113 -4.109 441 HG22 VAL 62 1HG2 VAL 62 -0.101 4.893 -3.848 442 HG23 VAL 62 2HG2 VAL 62 -1.700 4.688 -3.131 443 H GLU 63 H GLU 63 2.234 6.446 -0.321 444 HA GLU 63 HA GLU 63 4.099 4.594 -1.616 445 HB2 GLU 63 1HB GLU 63 4.820 6.648 -0.213 446 HB3 GLU 63 2HB GLU 63 4.389 5.662 1.177 447 HG2 GLU 63 1HG GLU 63 5.945 3.898 0.124 448 HG3 GLU 63 2HG GLU 63 6.571 5.247 -0.822 449 H PHE 64 H PHE 64 4.121 2.479 -1.181 450 HA PHE 64 HA PHE 64 2.779 1.497 1.231 451 HB2 PHE 64 1HB PHE 64 1.791 -0.363 -0.207 452 HB3 PHE 64 2HB PHE 64 1.053 1.227 -0.367 453 HD1 PHE 64 1HD PHE 64 1.487 2.597 -2.367 454 HD2 PHE 64 2HD PHE 64 2.912 -1.399 -2.027 455 HE1 PHE 64 1HE PHE 64 1.860 2.527 -4.798 456 HE2 PHE 64 2HE PHE 64 3.288 -1.475 -4.457 457 HZ PHE 64 HZ PHE 64 2.763 0.490 -5.846 458 H GLU 65 H GLU 65 3.119 -1.033 1.290 459 HA GLU 65 HA GLU 65 5.924 -1.563 0.556 460 HB2 GLU 65 1HB GLU 65 6.018 -1.331 2.878 461 HB3 GLU 65 2HB GLU 65 4.448 -2.087 3.114 462 HG2 GLU 65 1HG GLU 65 6.050 -3.625 3.890 463 HG3 GLU 65 2HG GLU 65 5.488 -4.239 2.336 464 H VAL 66 H VAL 66 6.168 -3.218 -0.779 465 HA VAL 66 HA VAL 66 3.998 -4.905 -1.516 466 HB VAL 66 HB VAL 66 6.935 -5.210 -2.159 467 HG11 VAL 66 1HG1 VAL 66 5.530 -6.271 -4.246 468 HG12 VAL 66 2HG1 VAL 66 6.255 -7.201 -2.933 469 HG13 VAL 66 3HG1 VAL 66 4.551 -6.754 -2.862 470 HG21 VAL 66 3HG2 VAL 66 6.390 -3.147 -3.058 471 HG22 VAL 66 1HG2 VAL 66 6.049 -4.240 -4.400 472 HG23 VAL 66 2HG2 VAL 66 4.728 -3.622 -3.408 473 H SER 67 H SER 67 3.284 -6.617 -0.448 474 HA SER 67 HA SER 67 5.208 -8.197 1.131 475 HB2 SER 67 1HB SER 67 2.911 -8.756 2.406 476 HB3 SER 67 2HB SER 67 3.944 -7.401 2.862 477 HG SER 67 HG SER 67 2.003 -6.996 0.889 478 H SER 68 H SER 68 4.060 -10.421 1.701 479 HA SER 68 HA SER 68 2.855 -11.472 -0.773 480 HB2 SER 68 1HB SER 68 4.153 -13.591 -0.328 481 HB3 SER 68 2HB SER 68 5.139 -12.206 -0.796 482 HG SER 68 HG SER 68 5.909 -12.048 1.214 483 H ASP 69 H ASP 69 1.028 -12.573 -0.490 484 HA ASP 69 HA ASP 69 -0.180 -12.808 2.053 485 HB2 ASP 69 1HB ASP 69 -1.403 -12.596 -0.127 486 HB3 ASP 69 2HB ASP 69 -0.965 -14.266 -0.476 487 H ARG 70 H ARG 70 -1.167 -14.997 2.745 488 HA ARG 70 HA ARG 70 1.029 -16.953 2.826 489 HB2 ARG 70 1HB ARG 70 -1.280 -16.779 4.758 490 HB3 ARG 70 2HB ARG 70 0.231 -17.657 4.957 491 HG2 ARG 70 1HG ARG 70 0.047 -14.660 4.778 492 HG3 ARG 70 2HG ARG 70 0.051 -15.563 6.295 493 HD2 ARG 70 1HD ARG 70 2.280 -15.036 6.075 494 HD3 ARG 70 2HD ARG 70 2.224 -16.629 5.323 495 HE ARG 70 HE ARG 70 1.884 -14.394 3.517 496 HH11 ARG 70 2HH1 ARG 70 4.095 -16.640 4.996 497 HH12 ARG 70 1HH1 ARG 70 5.307 -16.453 3.772 498 HH21 ARG 70 1HH2 ARG 70 4.952 -15.030 2.012 499 HH22 ARG 70 2HH2 ARG 70 3.472 -14.140 1.900 500 H ARG 71 H ARG 71 -1.871 -16.426 1.350 501 HA ARG 71 HA ARG 71 -2.549 -19.290 1.267 502 HB2 ARG 71 1HB ARG 71 -4.317 -17.014 0.377 503 HB3 ARG 71 2HB ARG 71 -4.778 -18.684 0.682 504 HG2 ARG 71 1HG ARG 71 -3.886 -18.097 3.106 505 HG3 ARG 71 2HG ARG 71 -4.307 -16.464 2.586 506 HD2 ARG 71 1HD ARG 71 -6.177 -17.501 3.739 507 HD3 ARG 71 2HD ARG 71 -6.570 -17.228 2.042 508 HE ARG 71 HE ARG 71 -5.697 -19.758 2.003 509 HH11 ARG 71 2HH1 ARG 71 -7.963 -18.124 4.080 510 HH12 ARG 71 1HH1 ARG 71 -8.911 -19.542 4.379 511 HH21 ARG 71 1HH2 ARG 71 -8.327 -21.538 3.418 512 HH22 ARG 71 2HH2 ARG 71 -6.938 -21.633 2.389 513 H THR 72 H THR 72 -1.955 -16.427 -0.700 514 HA THR 72 HA THR 72 -1.734 -18.175 -3.064 515 HB THR 72 HB THR 72 -2.429 -16.404 -4.478 516 HG1 THR 72 1HG THR 72 -1.833 -14.819 -2.247 517 HG21 THR 72 3HG2 THR 72 -4.381 -17.326 -3.622 518 HG22 THR 72 1HG2 THR 72 -4.599 -15.609 -3.289 519 HG23 THR 72 2HG2 THR 72 -4.086 -16.699 -2.001 520 H GLY 73 H GLY 73 -0.106 -16.082 -0.941 521 HA2 GLY 73 1HA GLY 73 2.055 -15.311 -0.878 522 HA3 GLY 73 2HA GLY 73 2.414 -16.538 -2.083 523 H LYS 74 H LYS 74 -0.010 -14.321 -2.990 524 HA LYS 74 HA LYS 74 1.640 -13.270 -5.092 525 HB2 LYS 74 1HB LYS 74 -1.153 -12.425 -4.308 526 HB3 LYS 74 2HB LYS 74 -0.357 -12.140 -5.850 527 HG2 LYS 74 1HG LYS 74 -0.765 -14.933 -4.875 528 HG3 LYS 74 2HG LYS 74 -2.095 -14.049 -5.628 529 HD2 LYS 74 1HD LYS 74 -0.779 -13.710 -7.632 530 HD3 LYS 74 2HD LYS 74 0.620 -14.478 -6.876 531 HE2 LYS 74 1HE LYS 74 -2.022 -15.845 -7.366 532 HE3 LYS 74 2HE LYS 74 -0.631 -15.956 -8.442 533 HZ1 LYS 74 3HZ LYS 74 -0.957 -17.048 -5.726 534 HZ2 LYS 74 1HZ LYS 74 0.590 -16.736 -6.334 535 HZ3 LYS 74 2HZ LYS 74 -0.427 -17.826 -7.131 536 HA PRO 75 HA PRO 75 3.056 -9.559 -3.218 537 HB2 PRO 75 2HB PRO 75 4.299 -9.221 -5.120 538 HB3 PRO 75 1HB PRO 75 3.145 -7.905 -5.369 539 HG2 PRO 75 1HG PRO 75 1.862 -9.142 -6.856 540 HG3 PRO 75 2HG PRO 75 3.469 -9.800 -7.214 541 HD2 PRO 75 1HD PRO 75 1.381 -11.366 -6.493 542 HD3 PRO 75 2HD PRO 75 3.060 -11.758 -6.069 543 H ILE 76 H ILE 76 1.557 -8.727 -1.837 544 HA ILE 76 HA ILE 76 -0.571 -7.057 -3.009 545 HB ILE 76 HB ILE 76 -1.823 -7.389 -0.905 546 HG12 ILE 76 1HG1 ILE 76 0.110 -9.598 -0.238 547 HG13 ILE 76 2HG1 ILE 76 0.346 -7.965 0.376 548 HG21 ILE 76 1HG2 ILE 76 -2.442 -8.776 -2.724 549 HG22 ILE 76 2HG2 ILE 76 -1.052 -9.832 -2.482 550 HG23 ILE 76 3HG2 ILE 76 -2.364 -9.819 -1.304 551 HD11 ILE 76 3HD1 ILE 76 -1.067 -9.914 1.622 552 HD12 ILE 76 1HD1 ILE 76 -1.266 -8.185 1.904 553 HD13 ILE 76 2HD1 ILE 76 -2.345 -9.027 0.792 554 H ALA 77 H ALA 77 -1.008 -5.043 -2.070 555 HA ALA 77 HA ALA 77 1.296 -3.794 -0.838 556 HB1 ALA 77 3HB ALA 77 0.287 -2.540 -2.575 557 HB2 ALA 77 1HB ALA 77 -1.317 -2.713 -1.863 558 HB3 ALA 77 2HB ALA 77 -0.103 -1.709 -1.069 559 H VAL 78 H VAL 78 1.381 -2.869 1.184 560 HA VAL 78 HA VAL 78 -0.952 -3.045 2.926 561 HB VAL 78 HB VAL 78 0.261 -4.181 4.708 562 HG11 VAL 78 1HG1 VAL 78 -1.062 -5.515 3.135 563 HG12 VAL 78 2HG1 VAL 78 0.367 -5.733 2.122 564 HG13 VAL 78 3HG1 VAL 78 0.324 -6.417 3.748 565 HG21 VAL 78 3HG2 VAL 78 2.448 -5.355 3.430 566 HG22 VAL 78 1HG2 VAL 78 2.523 -3.645 3.004 567 HG23 VAL 78 2HG2 VAL 78 2.486 -4.130 4.699 568 H LYS 79 H LYS 79 -0.545 -1.977 5.050 569 HA LYS 79 HA LYS 79 -0.098 -0.004 6.113 570 HB2 LYS 79 1HB LYS 79 2.755 -0.425 5.258 571 HB3 LYS 79 2HB LYS 79 2.153 0.262 6.761 572 HG2 LYS 79 1HG LYS 79 1.919 -2.624 5.933 573 HG3 LYS 79 2HG LYS 79 3.078 -1.969 7.093 574 HD2 LYS 79 1HD LYS 79 1.474 -1.620 8.702 575 HD3 LYS 79 2HD LYS 79 0.171 -1.465 7.522 576 HE2 LYS 79 1HE LYS 79 -0.324 -3.530 8.349 577 HE3 LYS 79 2HE LYS 79 0.785 -3.999 7.061 578 HZ1 LYS 79 3HZ LYS 79 2.292 -4.719 8.525 579 HZ2 LYS 79 1HZ LYS 79 1.022 -4.727 9.643 580 HZ3 LYS 79 2HZ LYS 79 2.075 -3.406 9.570 581 H LEU 80 H LEU 80 -1.091 0.558 3.666 582 HA LEU 80 HA LEU 80 0.510 2.139 1.987 583 HB2 LEU 80 1HB LEU 80 -2.068 1.222 1.950 584 HB3 LEU 80 2HB LEU 80 -2.294 2.955 2.181 585 HG LEU 80 HG LEU 80 -0.546 2.975 0.127 586 HD11 LEU 80 1HD1 LEU 80 -0.888 0.355 0.238 587 HD12 LEU 80 2HD1 LEU 80 -0.709 1.206 -1.296 588 HD13 LEU 80 3HD1 LEU 80 -2.313 0.747 -0.724 589 HD21 LEU 80 3HD2 LEU 80 -3.431 3.218 0.461 590 HD22 LEU 80 1HD2 LEU 80 -2.954 2.780 -1.179 591 HD23 LEU 80 2HD2 LEU 80 -2.302 4.238 -0.431 592 H VAL 81 H VAL 81 0.552 4.434 1.717 593 HA VAL 81 HA VAL 81 -0.456 6.142 3.807 594 HB VAL 81 HB VAL 81 1.859 7.081 4.290 595 HG11 VAL 81 1HG1 VAL 81 0.473 5.666 5.835 596 HG12 VAL 81 2HG1 VAL 81 1.405 4.274 5.280 597 HG13 VAL 81 3HG1 VAL 81 2.212 5.600 6.117 598 HG21 VAL 81 3HG2 VAL 81 2.764 5.568 2.324 599 HG22 VAL 81 1HG2 VAL 81 3.766 5.955 3.722 600 HG23 VAL 81 2HG2 VAL 81 2.950 4.394 3.626 601 H LYS 82 H LYS 82 -1.000 8.017 2.914 602 HA LYS 82 HA LYS 82 -0.461 8.613 0.208 603 HB2 LYS 82 1HB LYS 82 -2.395 9.396 1.794 604 HB3 LYS 82 2HB LYS 82 -1.304 10.725 2.159 605 HG2 LYS 82 1HG LYS 82 -1.498 11.643 0.082 606 HG3 LYS 82 2HG LYS 82 -1.825 10.092 -0.695 607 HD2 LYS 82 1HD LYS 82 -4.068 10.070 0.208 608 HD3 LYS 82 2HD LYS 82 -3.749 11.548 1.118 609 HE2 LYS 82 1HE LYS 82 -4.976 12.176 -0.816 610 HE3 LYS 82 2HE LYS 82 -3.308 12.683 -1.079 611 HZ1 LYS 82 3HZ LYS 82 -2.997 10.596 -2.362 612 HZ2 LYS 82 1HZ LYS 82 -4.100 11.670 -3.063 613 HZ3 LYS 82 2HZ LYS 82 -4.659 10.307 -2.233 614 H ILE 83 H ILE 83 1.254 9.526 -0.703 615 HA ILE 83 HA ILE 83 3.533 10.301 0.746 616 HB ILE 83 HB ILE 83 2.880 11.130 -2.081 617 HG12 ILE 83 1HG1 ILE 83 3.896 8.523 -0.967 618 HG13 ILE 83 2HG1 ILE 83 2.566 8.790 -2.088 619 HG21 ILE 83 1HG2 ILE 83 5.065 11.672 -2.335 620 HG22 ILE 83 2HG2 ILE 83 4.946 11.946 -0.598 621 HG23 ILE 83 3HG2 ILE 83 5.618 10.434 -1.207 622 HD11 ILE 83 3HD1 ILE 83 5.332 8.281 -2.628 623 HD12 ILE 83 1HD1 ILE 83 3.960 8.319 -3.735 624 HD13 ILE 83 2HD1 ILE 83 4.833 9.805 -3.360 625 H SER 84 H SER 84 1.089 12.260 -0.943 626 HA SER 84 HA SER 84 2.205 14.679 0.260 627 HB2 SER 84 1HB SER 84 0.851 15.912 -1.298 628 HB3 SER 84 2HB SER 84 1.618 14.598 -2.189 629 HG SER 84 HG SER 84 -1.056 14.750 -1.268 630 H GLY 85 H GLY 85 0.901 16.160 1.438 631 HA2 GLY 85 1HA GLY 85 -1.531 16.438 2.225 632 HA3 GLY 85 2HA GLY 85 -1.296 14.821 2.873 633 HA PRO 86 HA PRO 86 1.436 17.995 5.364 634 HB2 PRO 86 2HB PRO 86 1.652 19.958 4.191 635 HB3 PRO 86 1HB PRO 86 0.446 20.523 5.354 636 HG2 PRO 86 1HG PRO 86 -1.311 20.240 3.863 637 HG3 PRO 86 2HG PRO 86 -0.014 20.674 2.734 638 HD2 PRO 86 1HD PRO 86 -1.457 18.396 2.489 639 HD3 PRO 86 2HD PRO 86 0.248 18.504 2.003 640 H SER 87 H SER 87 1.033 18.875 7.497 641 HA SER 87 HA SER 87 -1.473 17.909 8.588 642 HB2 SER 87 1HB SER 87 1.021 19.020 9.890 643 HB3 SER 87 2HB SER 87 -0.398 18.487 10.791 644 HG SER 87 HG SER 87 1.381 16.960 9.221 645 H SER 88 H SER 88 -3.090 19.314 8.091 646 HA SER 88 HA SER 88 -3.318 21.690 9.626 647 HB2 SER 88 1HB SER 88 -2.560 21.934 6.738 648 HB3 SER 88 2HB SER 88 -3.650 23.127 7.445 649 HG SER 88 HG SER 88 -1.043 22.459 8.351 650 H GLY 89 H GLY 89 -5.413 22.001 10.035 651 HA2 GLY 89 1HA GLY 89 -7.683 22.302 9.291 652 HA3 GLY 89 2HA GLY 89 -7.384 21.108 8.036 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -7.693 -11.518 24.229 2 HA2 GLY 1 1HA GLY 1 -4.986 -11.844 24.375 3 HA3 GLY 1 2HA GLY 1 -6.115 -13.190 24.388 4 H SER 2 H SER 2 -3.918 -13.991 23.403 5 HA SER 2 HA SER 2 -3.747 -13.460 20.543 6 HB2 SER 2 1HB SER 2 -1.714 -14.859 20.631 7 HB3 SER 2 2HB SER 2 -1.657 -13.557 21.818 8 HG SER 2 HG SER 2 -2.734 -15.457 23.134 9 H SER 3 H SER 3 -5.496 -14.444 19.613 10 HA SER 3 HA SER 3 -5.572 -17.382 19.816 11 HB2 SER 3 1HB SER 3 -8.003 -17.324 19.604 12 HB3 SER 3 2HB SER 3 -7.501 -16.371 21.000 13 HG SER 3 HG SER 3 -7.821 -14.504 19.805 14 H GLY 4 H GLY 4 -6.468 -18.464 17.912 15 HA2 GLY 4 1HA GLY 4 -6.920 -18.642 15.627 16 HA3 GLY 4 2HA GLY 4 -6.618 -16.919 15.457 17 H SER 5 H SER 5 -5.653 -19.214 13.867 18 HA SER 5 HA SER 5 -2.755 -18.914 14.301 19 HB2 SER 5 1HB SER 5 -2.474 -21.018 13.090 20 HB3 SER 5 2HB SER 5 -3.590 -21.240 14.437 21 HG SER 5 HG SER 5 -4.710 -20.531 11.996 22 H SER 6 H SER 6 -4.081 -16.845 13.050 23 HA SER 6 HA SER 6 -3.955 -17.149 10.191 24 HB2 SER 6 1HB SER 6 -5.513 -15.580 11.492 25 HB3 SER 6 2HB SER 6 -4.109 -14.530 11.680 26 HG SER 6 HG SER 6 -5.051 -15.466 9.175 27 H GLY 7 H GLY 7 -2.653 -15.565 8.871 28 HA2 GLY 7 1HA GLY 7 0.104 -15.590 9.884 29 HA3 GLY 7 2HA GLY 7 -0.369 -15.482 8.195 30 H GLY 8 H GLY 8 1.317 -13.727 8.350 31 HA2 GLY 8 1HA GLY 8 0.598 -11.292 7.782 32 HA3 GLY 8 2HA GLY 8 0.249 -11.246 9.504 33 H TYR 9 H TYR 9 1.828 -9.425 9.331 34 HA TYR 9 HA TYR 9 4.414 -9.411 8.661 35 HB2 TYR 9 1HB TYR 9 4.859 -8.068 10.770 36 HB3 TYR 9 2HB TYR 9 3.540 -7.495 9.755 37 HD1 TYR 9 2HD TYR 9 4.115 -9.753 12.678 38 HD2 TYR 9 1HD TYR 9 1.540 -6.952 10.774 39 HE1 TYR 9 2HE TYR 9 2.596 -9.844 14.611 40 HE2 TYR 9 1HE TYR 9 0.015 -7.034 12.702 41 HH TYR 9 HH TYR 9 0.784 -8.970 15.571 42 HA PRO 10 HA PRO 10 6.421 -8.603 9.664 43 HB2 PRO 10 2HB PRO 10 8.489 -9.118 10.524 44 HB3 PRO 10 1HB PRO 10 8.800 -9.637 8.863 45 HG2 PRO 10 1HG PRO 10 8.433 -11.875 9.359 46 HG3 PRO 10 2HG PRO 10 9.116 -11.325 10.900 47 HD2 PRO 10 1HD PRO 10 6.708 -12.551 10.729 48 HD3 PRO 10 2HD PRO 10 7.064 -11.312 11.950 49 H ASN 11 H ASN 11 7.479 -8.168 7.464 50 HA ASN 11 HA ASN 11 5.906 -9.564 5.452 51 HB2 ASN 11 1HB ASN 11 7.740 -7.245 4.900 52 HB3 ASN 11 2HB ASN 11 6.272 -7.718 4.050 53 HD21 ASN 11 2HD2 ASN 11 6.035 -4.879 6.716 54 HD22 ASN 11 1HD2 ASN 11 7.437 -5.365 5.832 55 H GLY 12 H GLY 12 9.312 -8.571 5.863 56 HA2 GLY 12 1HA GLY 12 10.067 -10.943 4.272 57 HA3 GLY 12 2HA GLY 12 10.839 -9.384 4.025 58 H THR 13 H THR 13 12.465 -11.438 4.524 59 HA THR 13 HA THR 13 13.118 -11.293 7.388 60 HB THR 13 HB THR 13 12.842 -13.569 6.576 61 HG1 THR 13 1HG THR 13 15.634 -13.330 6.795 62 HG21 THR 13 3HG2 THR 13 15.139 -13.052 4.691 63 HG22 THR 13 1HG2 THR 13 13.448 -13.032 4.194 64 HG23 THR 13 2HG2 THR 13 14.163 -14.515 4.826 65 H SER 14 H SER 14 14.619 -11.155 4.168 66 HA SER 14 HA SER 14 16.678 -9.389 5.297 67 HB2 SER 14 1HB SER 14 18.413 -10.493 3.990 68 HB3 SER 14 2HB SER 14 17.620 -11.672 5.034 69 HG SER 14 HG SER 14 16.369 -12.303 3.210 70 H ALA 15 H ALA 15 14.341 -8.608 3.943 71 HA ALA 15 HA ALA 15 15.404 -6.879 1.992 72 HB1 ALA 15 3HB ALA 15 15.528 -8.846 0.590 73 HB2 ALA 15 1HB ALA 15 13.829 -9.208 0.900 74 HB3 ALA 15 2HB ALA 15 14.272 -7.764 -0.012 75 H ALA 16 H ALA 16 14.123 -5.145 1.911 76 HA ALA 16 HA ALA 16 11.310 -5.206 1.769 77 HB1 ALA 16 3HB ALA 16 11.583 -3.915 4.275 78 HB2 ALA 16 1HB ALA 16 10.666 -5.370 3.884 79 HB3 ALA 16 2HB ALA 16 12.348 -5.499 4.400 80 H LEU 17 H LEU 17 10.454 -3.196 1.317 81 HA LEU 17 HA LEU 17 11.744 -0.744 1.888 82 HB2 LEU 17 1HB LEU 17 12.855 -0.207 -0.017 83 HB3 LEU 17 2HB LEU 17 13.110 -1.951 -0.021 84 HG LEU 17 HG LEU 17 12.577 -1.303 -2.242 85 HD11 LEU 17 1HD1 LEU 17 9.938 -2.232 -2.003 86 HD12 LEU 17 2HD1 LEU 17 10.858 -3.005 -0.712 87 HD13 LEU 17 3HD1 LEU 17 11.384 -3.165 -2.388 88 HD21 LEU 17 3HD2 LEU 17 11.171 0.337 -2.821 89 HD22 LEU 17 1HD2 LEU 17 11.194 0.769 -1.111 90 HD23 LEU 17 2HD2 LEU 17 9.899 -0.246 -1.747 91 H ARG 18 H ARG 18 10.421 0.986 1.484 92 HA ARG 18 HA ARG 18 7.691 0.393 0.853 93 HB2 ARG 18 1HB ARG 18 9.014 3.077 1.287 94 HB3 ARG 18 2HB ARG 18 7.285 2.758 1.301 95 HG2 ARG 18 1HG ARG 18 9.239 1.536 3.235 96 HG3 ARG 18 2HG ARG 18 8.304 2.999 3.553 97 HD2 ARG 18 1HD ARG 18 6.877 0.535 2.674 98 HD3 ARG 18 2HD ARG 18 7.449 0.638 4.339 99 HE ARG 18 HE ARG 18 5.304 2.159 3.130 100 HH11 ARG 18 2HH1 ARG 18 7.528 1.858 5.792 101 HH12 ARG 18 1HH1 ARG 18 6.572 2.822 6.869 102 HH21 ARG 18 1HH2 ARG 18 4.586 3.714 6.156 103 HH22 ARG 18 2HH2 ARG 18 4.037 3.429 4.539 104 H GLU 19 H GLU 19 6.875 0.273 -1.122 105 HA GLU 19 HA GLU 19 8.289 1.542 -3.343 106 HB2 GLU 19 1HB GLU 19 5.953 -0.374 -3.426 107 HB3 GLU 19 2HB GLU 19 6.941 0.134 -4.789 108 HG2 GLU 19 1HG GLU 19 8.269 -1.181 -2.477 109 HG3 GLU 19 2HG GLU 19 7.336 -2.168 -3.600 110 H THR 20 H THR 20 7.173 2.801 -4.920 111 HA THR 20 HA THR 20 4.687 4.041 -3.938 112 HB THR 20 HB THR 20 5.412 6.207 -4.671 113 HG1 THR 20 1HG THR 20 7.079 6.488 -5.983 114 HG21 THR 20 3HG2 THR 20 7.012 4.664 -2.772 115 HG22 THR 20 1HG2 THR 20 6.284 6.260 -2.603 116 HG23 THR 20 2HG2 THR 20 7.844 6.084 -3.406 117 H GLY 21 H GLY 21 3.138 4.553 -5.454 118 HA2 GLY 21 1HA GLY 21 3.729 4.236 -8.285 119 HA3 GLY 21 2HA GLY 21 2.627 3.051 -7.601 120 H VAL 22 H VAL 22 0.659 3.546 -8.322 121 HA VAL 22 HA VAL 22 -0.466 6.129 -7.625 122 HB VAL 22 HB VAL 22 0.505 6.390 -9.936 123 HG11 VAL 22 1HG1 VAL 22 -1.443 4.186 -10.450 124 HG12 VAL 22 2HG1 VAL 22 -1.108 5.371 -11.714 125 HG13 VAL 22 3HG1 VAL 22 0.202 4.394 -11.050 126 HG21 VAL 22 3HG2 VAL 22 -1.123 7.959 -9.361 127 HG22 VAL 22 1HG2 VAL 22 -1.707 7.293 -10.886 128 HG23 VAL 22 2HG2 VAL 22 -2.416 6.759 -9.363 129 H ILE 23 H ILE 23 -2.730 6.136 -7.527 130 HA ILE 23 HA ILE 23 -3.904 3.566 -7.041 131 HB ILE 23 HB ILE 23 -5.221 6.284 -7.080 132 HG12 ILE 23 1HG1 ILE 23 -3.251 5.702 -5.424 133 HG13 ILE 23 2HG1 ILE 23 -4.684 6.548 -4.852 134 HG21 ILE 23 1HG2 ILE 23 -6.976 5.231 -5.757 135 HG22 ILE 23 2HG2 ILE 23 -6.805 4.438 -7.322 136 HG23 ILE 23 3HG2 ILE 23 -6.145 3.680 -5.872 137 HD11 ILE 23 3HD1 ILE 23 -4.053 4.814 -3.302 138 HD12 ILE 23 1HD1 ILE 23 -5.599 4.418 -4.053 139 HD13 ILE 23 2HD1 ILE 23 -4.126 3.605 -4.584 140 H GLU 24 H GLU 24 -4.071 2.419 -8.932 141 HA GLU 24 HA GLU 24 -5.056 3.502 -11.363 142 HB2 GLU 24 1HB GLU 24 -3.642 1.359 -10.939 143 HB3 GLU 24 2HB GLU 24 -5.199 0.581 -10.689 144 HG2 GLU 24 1HG GLU 24 -5.892 1.345 -12.938 145 HG3 GLU 24 2HG GLU 24 -4.268 1.986 -13.181 146 H LYS 25 H LYS 25 -6.545 1.498 -8.838 147 HA LYS 25 HA LYS 25 -9.162 2.523 -9.632 148 HB2 LYS 25 1HB LYS 25 -8.431 0.102 -10.576 149 HB3 LYS 25 2HB LYS 25 -9.096 -0.375 -9.020 150 HG2 LYS 25 1HG LYS 25 -10.698 1.471 -10.701 151 HG3 LYS 25 2HG LYS 25 -10.585 -0.219 -11.196 152 HD2 LYS 25 1HD LYS 25 -11.438 -0.948 -9.060 153 HD3 LYS 25 2HD LYS 25 -11.422 0.709 -8.449 154 HE2 LYS 25 1HE LYS 25 -12.944 1.074 -10.612 155 HE3 LYS 25 2HE LYS 25 -13.311 -0.623 -10.304 156 HZ1 LYS 25 3HZ LYS 25 -14.742 0.069 -8.781 157 HZ2 LYS 25 1HZ LYS 25 -14.241 1.677 -8.939 158 HZ3 LYS 25 2HZ LYS 25 -13.448 0.646 -7.857 159 H LEU 26 H LEU 26 -10.749 2.404 -7.985 160 HA LEU 26 HA LEU 26 -9.849 1.510 -5.348 161 HB2 LEU 26 1HB LEU 26 -9.456 4.036 -5.839 162 HB3 LEU 26 2HB LEU 26 -11.198 4.166 -5.607 163 HG LEU 26 HG LEU 26 -10.593 2.887 -3.350 164 HD11 LEU 26 1HD1 LEU 26 -8.063 4.233 -4.222 165 HD12 LEU 26 2HD1 LEU 26 -8.289 2.626 -3.532 166 HD13 LEU 26 3HD1 LEU 26 -8.461 4.055 -2.513 167 HD21 LEU 26 3HD2 LEU 26 -10.190 5.320 -2.426 168 HD22 LEU 26 1HD2 LEU 26 -11.757 4.837 -3.076 169 HD23 LEU 26 2HD2 LEU 26 -10.642 5.775 -4.070 170 H LEU 27 H LEU 27 -11.446 0.702 -4.074 171 HA LEU 27 HA LEU 27 -14.211 0.939 -5.062 172 HB2 LEU 27 1HB LEU 27 -12.951 -1.522 -3.861 173 HB3 LEU 27 2HB LEU 27 -14.611 -1.370 -4.433 174 HG LEU 27 HG LEU 27 -13.506 -0.862 -6.727 175 HD11 LEU 27 1HD1 LEU 27 -11.227 -0.639 -5.928 176 HD12 LEU 27 2HD1 LEU 27 -11.358 -2.003 -7.038 177 HD13 LEU 27 3HD1 LEU 27 -11.265 -2.288 -5.300 178 HD21 LEU 27 3HD2 LEU 27 -14.623 -3.074 -5.615 179 HD22 LEU 27 1HD2 LEU 27 -13.041 -3.688 -6.095 180 HD23 LEU 27 2HD2 LEU 27 -14.101 -2.950 -7.296 181 H THR 28 H THR 28 -15.626 -0.253 -3.155 182 HA THR 28 HA THR 28 -15.352 1.560 -0.926 183 HB THR 28 HB THR 28 -17.387 -0.642 -1.317 184 HG1 THR 28 1HG THR 28 -17.287 2.049 -2.195 185 HG21 THR 28 3HG2 THR 28 -16.842 1.102 0.862 186 HG22 THR 28 1HG2 THR 28 -18.158 -0.059 0.689 187 HG23 THR 28 2HG2 THR 28 -18.367 1.601 0.130 188 H SER 29 H SER 29 -14.416 -1.646 -1.652 189 HA SER 29 HA SER 29 -14.064 -2.286 1.195 190 HB2 SER 29 1HB SER 29 -15.225 -4.062 0.169 191 HB3 SER 29 2HB SER 29 -14.221 -3.997 -1.280 192 HG SER 29 HG SER 29 -12.944 -4.533 1.137 193 H TYR 30 H TYR 30 -12.361 -2.088 -1.890 194 HA TYR 30 HA TYR 30 -9.889 -1.503 -0.541 195 HB2 TYR 30 1HB TYR 30 -8.755 -3.410 -1.954 196 HB3 TYR 30 2HB TYR 30 -9.451 -3.764 -0.376 197 HD1 TYR 30 1HD TYR 30 -10.599 -3.587 -3.936 198 HD2 TYR 30 2HD TYR 30 -10.707 -5.686 -0.237 199 HE1 TYR 30 1HE TYR 30 -12.029 -5.306 -4.960 200 HE2 TYR 30 2HE TYR 30 -12.136 -7.412 -1.251 201 HH TYR 30 HH TYR 30 -13.528 -7.818 -3.062 202 H GLY 31 H GLY 31 -8.060 -1.665 -2.451 203 HA2 GLY 31 1HA GLY 31 -9.132 -0.726 -4.986 204 HA3 GLY 31 2HA GLY 31 -8.253 0.471 -4.047 205 H PHE 32 H PHE 32 -7.457 -0.318 -6.599 206 HA PHE 32 HA PHE 32 -5.106 -2.010 -6.097 207 HB2 PHE 32 1HB PHE 32 -6.351 -1.204 -8.735 208 HB3 PHE 32 2HB PHE 32 -4.991 -2.303 -8.528 209 HD1 PHE 32 2HD PHE 32 -8.585 -1.863 -7.737 210 HD2 PHE 32 1HD PHE 32 -5.339 -4.581 -8.174 211 HE1 PHE 32 2HE PHE 32 -10.148 -3.754 -7.550 212 HE2 PHE 32 1HE PHE 32 -6.897 -6.477 -7.988 213 HZ PHE 32 HZ PHE 32 -9.304 -6.064 -7.674 214 H ILE 33 H ILE 33 -3.046 -1.332 -6.710 215 HA ILE 33 HA ILE 33 -2.792 1.530 -7.362 216 HB ILE 33 HB ILE 33 -1.146 -0.068 -5.402 217 HG12 ILE 33 1HG1 ILE 33 -2.439 2.563 -4.820 218 HG13 ILE 33 2HG1 ILE 33 -3.447 1.121 -4.865 219 HG21 ILE 33 1HG2 ILE 33 -0.466 2.288 -6.980 220 HG22 ILE 33 2HG2 ILE 33 -0.257 2.521 -5.245 221 HG23 ILE 33 3HG2 ILE 33 0.574 1.198 -6.063 222 HD11 ILE 33 3HD1 ILE 33 -1.226 1.811 -2.992 223 HD12 ILE 33 1HD1 ILE 33 -2.880 1.316 -2.633 224 HD13 ILE 33 2HD1 ILE 33 -1.717 0.135 -3.235 225 H GLN 34 H GLN 34 -1.900 1.757 -9.296 226 HA GLN 34 HA GLN 34 -0.449 -0.342 -10.579 227 HB2 GLN 34 1HB GLN 34 -1.865 1.233 -11.832 228 HB3 GLN 34 2HB GLN 34 -0.790 2.552 -11.387 229 HG2 GLN 34 1HG GLN 34 0.067 2.119 -13.424 230 HG3 GLN 34 2HG GLN 34 0.998 0.932 -12.513 231 HE21 GLN 34 2HE2 GLN 34 -0.796 -1.863 -13.772 232 HE22 GLN 34 1HE2 GLN 34 0.009 -1.254 -12.369 233 H CYS 35 H CYS 35 1.545 -0.857 -9.957 234 HA CYS 35 HA CYS 35 3.313 0.877 -8.611 235 HB2 CYS 35 1HB CYS 35 3.736 -1.756 -10.021 236 HB3 CYS 35 2HB CYS 35 5.031 -0.916 -9.178 237 HG CYS 35 HG CYS 35 2.235 -1.417 -7.379 238 H SER 36 H SER 36 4.812 2.276 -9.310 239 HA SER 36 HA SER 36 5.033 2.688 -12.198 240 HB2 SER 36 1HB SER 36 5.846 4.433 -9.862 241 HB3 SER 36 2HB SER 36 6.077 4.864 -11.556 242 HG SER 36 HG SER 36 3.898 5.160 -10.055 243 H GLU 37 H GLU 37 6.574 0.863 -10.039 244 HA GLU 37 HA GLU 37 9.264 1.438 -11.083 245 HB2 GLU 37 1HB GLU 37 8.389 -0.086 -8.625 246 HB3 GLU 37 2HB GLU 37 10.055 0.019 -9.178 247 HG2 GLU 37 1HG GLU 37 8.619 2.571 -8.799 248 HG3 GLU 37 2HG GLU 37 9.015 1.654 -7.348 249 H ARG 38 H ARG 38 6.939 -1.166 -10.506 250 HA ARG 38 HA ARG 38 8.544 -2.934 -12.221 251 HB2 ARG 38 1HB ARG 38 7.351 -4.784 -11.245 252 HB3 ARG 38 2HB ARG 38 7.947 -3.757 -9.948 253 HG2 ARG 38 1HG ARG 38 5.760 -2.813 -9.621 254 HG3 ARG 38 2HG ARG 38 5.135 -3.691 -11.018 255 HD2 ARG 38 1HD ARG 38 6.205 -4.916 -8.478 256 HD3 ARG 38 2HD ARG 38 4.506 -4.792 -8.935 257 HE ARG 38 HE ARG 38 4.792 -6.545 -10.409 258 HH11 ARG 38 2HH1 ARG 38 7.872 -5.505 -9.163 259 HH12 ARG 38 1HH1 ARG 38 8.732 -6.877 -9.780 260 HH21 ARG 38 1HH2 ARG 38 7.617 -8.497 -10.955 261 HH22 ARG 38 2HH2 ARG 38 5.913 -8.355 -11.227 262 H GLN 39 H GLN 39 5.874 -0.924 -12.297 263 HA GLN 39 HA GLN 39 4.228 -0.552 -13.822 264 HB2 GLN 39 1HB GLN 39 6.037 -2.362 -15.404 265 HB3 GLN 39 2HB GLN 39 4.535 -1.747 -16.081 266 HG2 GLN 39 1HG GLN 39 5.507 0.564 -15.314 267 HG3 GLN 39 2HG GLN 39 7.040 -0.302 -15.396 268 HE21 GLN 39 2HE2 GLN 39 6.723 1.180 -18.666 269 HE22 GLN 39 1HE2 GLN 39 7.085 1.623 -17.036 270 H ALA 40 H ALA 40 3.566 -2.295 -11.844 271 HA ALA 40 HA ALA 40 1.771 -4.151 -13.250 272 HB1 ALA 40 3HB ALA 40 3.890 -5.147 -12.015 273 HB2 ALA 40 1HB ALA 40 2.837 -4.991 -10.609 274 HB3 ALA 40 2HB ALA 40 2.329 -5.966 -11.989 275 H ARG 41 H ARG 41 -0.281 -4.281 -12.455 276 HA ARG 41 HA ARG 41 -1.103 -2.207 -10.635 277 HB2 ARG 41 1HB ARG 41 -3.330 -2.785 -11.215 278 HB3 ARG 41 2HB ARG 41 -2.386 -2.938 -12.690 279 HG2 ARG 41 1HG ARG 41 -2.201 -5.451 -11.857 280 HG3 ARG 41 2HG ARG 41 -3.717 -5.020 -11.061 281 HD2 ARG 41 1HD ARG 41 -4.770 -4.523 -13.103 282 HD3 ARG 41 2HD ARG 41 -3.237 -4.464 -13.973 283 HE ARG 41 HE ARG 41 -3.269 -6.764 -14.147 284 HH11 ARG 41 2HH1 ARG 41 -5.791 -5.688 -12.003 285 HH12 ARG 41 1HH1 ARG 41 -6.578 -7.231 -11.944 286 HH21 ARG 41 1HH2 ARG 41 -5.726 -9.000 -13.124 287 HH22 ARG 41 2HH2 ARG 41 -4.296 -8.800 -14.078 288 H LEU 42 H LEU 42 -0.683 -2.529 -8.535 289 HA LEU 42 HA LEU 42 -0.825 -5.159 -7.348 290 HB2 LEU 42 1HB LEU 42 -0.001 -2.446 -6.460 291 HB3 LEU 42 2HB LEU 42 -0.475 -3.611 -5.226 292 HG LEU 42 HG LEU 42 1.823 -3.799 -7.162 293 HD11 LEU 42 1HD1 LEU 42 1.609 -2.743 -4.602 294 HD12 LEU 42 2HD1 LEU 42 3.094 -3.167 -5.454 295 HD13 LEU 42 3HD1 LEU 42 2.335 -4.334 -4.371 296 HD21 LEU 42 3HD2 LEU 42 2.167 -5.984 -5.719 297 HD22 LEU 42 1HD2 LEU 42 1.205 -5.996 -7.197 298 HD23 LEU 42 2HD2 LEU 42 0.407 -5.915 -5.626 299 H PHE 43 H PHE 43 -1.992 -5.319 -5.161 300 HA PHE 43 HA PHE 43 -4.635 -4.033 -5.350 301 HB2 PHE 43 1HB PHE 43 -5.293 -6.140 -5.942 302 HB3 PHE 43 2HB PHE 43 -3.924 -6.907 -5.143 303 HD1 PHE 43 2HD PHE 43 -6.474 -4.604 -3.733 304 HD2 PHE 43 1HD PHE 43 -4.872 -8.546 -3.806 305 HE1 PHE 43 2HE PHE 43 -7.928 -5.225 -1.848 306 HE2 PHE 43 1HE PHE 43 -6.324 -9.175 -1.921 307 HZ PHE 43 HZ PHE 43 -7.853 -7.513 -0.939 308 H PHE 44 H PHE 44 -4.584 -2.605 -3.719 309 HA PHE 44 HA PHE 44 -3.491 -3.433 -1.130 310 HB2 PHE 44 1HB PHE 44 -3.091 -1.218 -0.662 311 HB3 PHE 44 2HB PHE 44 -2.985 -1.175 -2.419 312 HD1 PHE 44 2HD PHE 44 -5.062 -0.338 0.488 313 HD2 PHE 44 1HD PHE 44 -4.624 -0.039 -3.735 314 HE1 PHE 44 2HE PHE 44 -6.832 1.370 0.429 315 HE2 PHE 44 1HE PHE 44 -6.393 1.670 -3.801 316 HZ PHE 44 HZ PHE 44 -7.500 2.376 -1.718 317 H HIS 45 H HIS 45 -4.701 -3.544 0.707 318 HA HIS 45 HA HIS 45 -7.597 -3.550 0.337 319 HB2 HIS 45 1HB HIS 45 -6.013 -5.348 1.564 320 HB3 HIS 45 2HB HIS 45 -6.413 -4.330 2.944 321 HD1 HIS 45 1HD HIS 45 -9.301 -3.752 2.645 322 HD2 HIS 45 2HD HIS 45 -7.695 -7.452 1.648 323 HE1 HIS 45 1HE HIS 45 -11.224 -5.369 2.745 324 HE2 HIS 45 2HE HIS 45 -10.212 -7.615 2.222 325 H CYS 46 H CYS 46 -9.007 -2.279 1.475 326 HA CYS 46 HA CYS 46 -8.307 0.286 2.172 327 HB2 CYS 46 1HB CYS 46 -10.483 0.520 3.130 328 HB3 CYS 46 2HB CYS 46 -10.634 -0.598 1.780 329 HG CYS 46 HG CYS 46 -11.797 -1.024 4.692 330 H SER 47 H SER 47 -7.822 -2.584 3.962 331 HA SER 47 HA SER 47 -7.717 -1.372 6.560 332 HB2 SER 47 1HB SER 47 -8.244 -3.759 6.291 333 HB3 SER 47 2HB SER 47 -6.643 -4.039 5.607 334 HG SER 47 HG SER 47 -6.019 -2.949 7.771 335 H GLN 48 H GLN 48 -5.429 -2.085 4.008 336 HA GLN 48 HA GLN 48 -3.047 -1.761 5.456 337 HB2 GLN 48 1HB GLN 48 -3.485 -1.057 2.552 338 HB3 GLN 48 2HB GLN 48 -1.961 -1.478 3.322 339 HG2 GLN 48 1HG GLN 48 -4.316 -3.300 2.888 340 HG3 GLN 48 2HG GLN 48 -2.778 -3.336 2.028 341 HE21 GLN 48 2HE2 GLN 48 -2.794 -5.946 4.659 342 HE22 GLN 48 1HE2 GLN 48 -3.798 -5.557 3.308 343 H TYR 49 H TYR 49 -4.839 0.590 3.466 344 HA TYR 49 HA TYR 49 -3.214 2.794 3.869 345 HB2 TYR 49 1HB TYR 49 -5.143 2.667 2.285 346 HB3 TYR 49 2HB TYR 49 -6.230 2.845 3.657 347 HD1 TYR 49 2HD TYR 49 -3.056 4.590 2.735 348 HD2 TYR 49 1HD TYR 49 -7.217 4.932 3.553 349 HE1 TYR 49 2HE TYR 49 -2.886 7.036 2.545 350 HE2 TYR 49 1HE TYR 49 -7.060 7.379 3.364 351 HH TYR 49 HH TYR 49 -5.255 9.132 3.616 352 H ASN 50 H ASN 50 -2.740 4.026 5.564 353 HA ASN 50 HA ASN 50 -3.907 3.471 8.127 354 HB2 ASN 50 1HB ASN 50 -1.749 5.314 7.141 355 HB3 ASN 50 2HB ASN 50 -2.372 5.469 8.781 356 HD21 ASN 50 2HD2 ASN 50 0.538 3.301 9.021 357 HD22 ASN 50 1HD2 ASN 50 0.181 4.951 8.655 358 H GLY 51 H GLY 51 -3.868 6.262 5.925 359 HA2 GLY 51 1HA GLY 51 -5.386 8.000 7.521 360 HA3 GLY 51 2HA GLY 51 -5.249 8.088 5.771 361 H ASN 52 H ASN 52 -7.341 8.533 5.264 362 HA ASN 52 HA ASN 52 -9.317 6.468 5.981 363 HB2 ASN 52 1HB ASN 52 -9.515 8.919 6.958 364 HB3 ASN 52 2HB ASN 52 -10.197 9.258 5.370 365 HD21 ASN 52 2HD2 ASN 52 -13.286 8.388 6.664 366 HD22 ASN 52 1HD2 ASN 52 -12.270 9.595 5.961 367 H LEU 53 H LEU 53 -9.782 5.308 4.238 368 HA LEU 53 HA LEU 53 -9.143 5.679 1.652 369 HB2 LEU 53 1HB LEU 53 -11.390 4.304 2.995 370 HB3 LEU 53 2HB LEU 53 -11.544 4.551 1.256 371 HG LEU 53 HG LEU 53 -10.661 2.358 1.656 372 HD11 LEU 53 1HD1 LEU 53 -9.321 4.351 0.156 373 HD12 LEU 53 2HD1 LEU 53 -9.392 2.614 -0.140 374 HD13 LEU 53 3HD1 LEU 53 -8.099 3.287 0.853 375 HD21 LEU 53 3HD2 LEU 53 -8.867 3.808 3.533 376 HD22 LEU 53 1HD2 LEU 53 -8.242 2.374 2.716 377 HD23 LEU 53 2HD2 LEU 53 -9.689 2.257 3.719 378 H GLN 54 H GLN 54 -11.953 7.080 3.270 379 HA GLN 54 HA GLN 54 -13.371 8.126 1.185 380 HB2 GLN 54 1HB GLN 54 -12.794 9.224 3.923 381 HB3 GLN 54 2HB GLN 54 -13.818 10.100 2.793 382 HG2 GLN 54 1HG GLN 54 -14.286 7.380 3.976 383 HG3 GLN 54 2HG GLN 54 -15.238 8.845 4.210 384 HE21 GLN 54 2HE2 GLN 54 -16.743 8.654 0.956 385 HE22 GLN 54 1HE2 GLN 54 -16.025 9.792 2.039 386 H ASP 55 H ASP 55 -10.517 9.568 2.725 387 HA ASP 55 HA ASP 55 -10.468 11.866 1.052 388 HB2 ASP 55 1HB ASP 55 -9.383 11.823 3.259 389 HB3 ASP 55 2HB ASP 55 -8.241 10.616 2.674 390 H LEU 56 H LEU 56 -8.945 8.696 0.906 391 HA LEU 56 HA LEU 56 -7.114 9.178 -1.146 392 HB2 LEU 56 1HB LEU 56 -7.600 7.076 0.376 393 HB3 LEU 56 2HB LEU 56 -8.543 6.570 -1.024 394 HG LEU 56 HG LEU 56 -6.556 6.637 -2.419 395 HD11 LEU 56 1HD1 LEU 56 -5.541 8.253 -0.306 396 HD12 LEU 56 2HD1 LEU 56 -4.826 7.909 -1.880 397 HD13 LEU 56 3HD1 LEU 56 -4.487 6.853 -0.509 398 HD21 LEU 56 3HD2 LEU 56 -5.449 5.130 -0.166 399 HD22 LEU 56 1HD2 LEU 56 -5.909 4.589 -1.781 400 HD23 LEU 56 2HD2 LEU 56 -7.137 4.763 -0.526 401 H LYS 57 H LYS 57 -7.222 8.440 -3.394 402 HA LYS 57 HA LYS 57 -9.758 8.048 -4.654 403 HB2 LYS 57 1HB LYS 57 -9.528 10.146 -6.088 404 HB3 LYS 57 2HB LYS 57 -10.098 10.370 -4.439 405 HG2 LYS 57 1HG LYS 57 -7.969 11.175 -3.733 406 HG3 LYS 57 2HG LYS 57 -7.231 10.738 -5.276 407 HD2 LYS 57 1HD LYS 57 -8.227 12.494 -6.399 408 HD3 LYS 57 2HD LYS 57 -9.542 12.631 -5.229 409 HE2 LYS 57 1HE LYS 57 -8.222 13.779 -3.696 410 HE3 LYS 57 2HE LYS 57 -6.718 13.217 -4.424 411 HZ1 LYS 57 3HZ LYS 57 -6.661 15.005 -5.707 412 HZ2 LYS 57 1HZ LYS 57 -8.010 15.616 -4.889 413 HZ3 LYS 57 2HZ LYS 57 -8.217 14.710 -6.302 414 H VAL 58 H VAL 58 -9.556 7.812 -7.006 415 HA VAL 58 HA VAL 58 -7.121 6.458 -7.682 416 HB VAL 58 HB VAL 58 -9.523 7.107 -9.396 417 HG11 VAL 58 1HG1 VAL 58 -7.609 4.908 -10.009 418 HG12 VAL 58 2HG1 VAL 58 -8.651 5.833 -11.093 419 HG13 VAL 58 3HG1 VAL 58 -7.178 6.560 -10.448 420 HG21 VAL 58 3HG2 VAL 58 -9.997 4.654 -9.042 421 HG22 VAL 58 1HG2 VAL 58 -8.769 4.685 -7.777 422 HG23 VAL 58 2HG2 VAL 58 -10.213 5.685 -7.627 423 H GLY 59 H GLY 59 -5.393 7.234 -8.714 424 HA2 GLY 59 1HA GLY 59 -4.410 8.523 -10.493 425 HA3 GLY 59 2HA GLY 59 -5.684 9.714 -10.277 426 H ASP 60 H ASP 60 -4.341 8.483 -7.389 427 HA ASP 60 HA ASP 60 -2.654 10.886 -7.127 428 HB2 ASP 60 1HB ASP 60 -4.625 9.668 -5.227 429 HB3 ASP 60 2HB ASP 60 -3.235 10.544 -4.590 430 H ASP 61 H ASP 61 -0.649 10.647 -6.252 431 HA ASP 61 HA ASP 61 0.526 8.066 -6.294 432 HB2 ASP 61 1HB ASP 61 1.488 10.799 -5.509 433 HB3 ASP 61 2HB ASP 61 2.488 9.383 -5.197 434 H VAL 62 H VAL 62 1.236 6.753 -4.642 435 HA VAL 62 HA VAL 62 0.823 7.533 -1.879 436 HB VAL 62 HB VAL 62 -0.440 5.268 -1.546 437 HG11 VAL 62 1HG1 VAL 62 -1.237 7.963 -1.847 438 HG12 VAL 62 2HG1 VAL 62 -2.470 6.960 -2.613 439 HG13 VAL 62 3HG1 VAL 62 -2.030 6.686 -0.927 440 HG21 VAL 62 3HG2 VAL 62 -2.056 4.958 -3.502 441 HG22 VAL 62 1HG2 VAL 62 -0.885 5.871 -4.453 442 HG23 VAL 62 2HG2 VAL 62 -0.414 4.346 -3.702 443 H GLU 63 H GLU 63 2.032 6.341 -0.431 444 HA GLU 63 HA GLU 63 3.984 4.525 -1.652 445 HB2 GLU 63 1HB GLU 63 4.681 6.595 -0.315 446 HB3 GLU 63 2HB GLU 63 4.149 5.714 1.110 447 HG2 GLU 63 1HG GLU 63 5.734 3.852 0.136 448 HG3 GLU 63 2HG GLU 63 6.487 5.235 -0.656 449 H PHE 64 H PHE 64 4.211 2.441 -1.028 450 HA PHE 64 HA PHE 64 2.838 1.463 1.341 451 HB2 PHE 64 1HB PHE 64 1.810 -0.412 -0.060 452 HB3 PHE 64 2HB PHE 64 1.054 1.173 -0.181 453 HD1 PHE 64 1HD PHE 64 1.374 2.549 -2.191 454 HD2 PHE 64 2HD PHE 64 2.882 -1.423 -1.928 455 HE1 PHE 64 1HE PHE 64 1.646 2.493 -4.636 456 HE2 PHE 64 2HE PHE 64 3.157 -1.484 -4.372 457 HZ PHE 64 HZ PHE 64 2.539 0.475 -5.730 458 H GLU 65 H GLU 65 3.181 -1.066 1.407 459 HA GLU 65 HA GLU 65 5.956 -1.604 0.572 460 HB2 GLU 65 1HB GLU 65 6.178 -1.371 2.872 461 HB3 GLU 65 2HB GLU 65 4.591 -2.054 3.197 462 HG2 GLU 65 1HG GLU 65 5.334 -4.234 2.951 463 HG3 GLU 65 2HG GLU 65 6.763 -3.748 2.040 464 H VAL 66 H VAL 66 6.139 -3.269 -0.761 465 HA VAL 66 HA VAL 66 3.933 -4.982 -1.351 466 HB VAL 66 HB VAL 66 6.821 -5.173 -2.219 467 HG11 VAL 66 1HG1 VAL 66 6.341 -6.993 -3.435 468 HG12 VAL 66 2HG1 VAL 66 4.965 -7.171 -2.344 469 HG13 VAL 66 3HG1 VAL 66 4.757 -6.378 -3.906 470 HG21 VAL 66 3HG2 VAL 66 4.544 -4.255 -3.930 471 HG22 VAL 66 1HG2 VAL 66 5.351 -3.129 -2.838 472 HG23 VAL 66 2HG2 VAL 66 6.271 -3.942 -4.104 473 H SER 67 H SER 67 3.370 -6.808 -0.380 474 HA SER 67 HA SER 67 5.426 -8.376 1.016 475 HB2 SER 67 1HB SER 67 3.901 -6.895 2.527 476 HB3 SER 67 2HB SER 67 2.670 -8.110 2.183 477 HG SER 67 HG SER 67 3.646 -9.434 3.487 478 H SER 68 H SER 68 4.315 -10.559 1.751 479 HA SER 68 HA SER 68 2.942 -11.610 -0.632 480 HB2 SER 68 1HB SER 68 4.767 -12.980 1.354 481 HB3 SER 68 2HB SER 68 3.867 -13.832 0.100 482 HG SER 68 HG SER 68 6.209 -12.843 -0.184 483 H ASP 69 H ASP 69 1.000 -12.549 -0.438 484 HA ASP 69 HA ASP 69 -0.471 -12.286 1.973 485 HB2 ASP 69 1HB ASP 69 -1.465 -12.189 -0.316 486 HB3 ASP 69 2HB ASP 69 -1.190 -13.923 -0.467 487 H ARG 70 H ARG 70 -1.789 -14.229 2.809 488 HA ARG 70 HA ARG 70 0.104 -16.425 3.314 489 HB2 ARG 70 1HB ARG 70 -2.283 -15.689 5.006 490 HB3 ARG 70 2HB ARG 70 -0.945 -16.748 5.434 491 HG2 ARG 70 1HG ARG 70 -0.635 -13.805 4.898 492 HG3 ARG 70 2HG ARG 70 -0.894 -14.494 6.502 493 HD2 ARG 70 1HD ARG 70 1.384 -14.414 6.496 494 HD3 ARG 70 2HD ARG 70 1.150 -16.009 5.782 495 HE ARG 70 HE ARG 70 1.285 -13.906 3.836 496 HH11 ARG 70 2HH1 ARG 70 3.151 -16.090 5.804 497 HH12 ARG 70 1HH1 ARG 70 4.529 -16.065 4.754 498 HH21 ARG 70 1HH2 ARG 70 4.495 -14.800 2.844 499 HH22 ARG 70 2HH2 ARG 70 3.092 -13.866 2.446 500 H ARG 71 H ARG 71 -2.404 -15.788 1.386 501 HA ARG 71 HA ARG 71 -3.518 -18.506 1.618 502 HB2 ARG 71 1HB ARG 71 -4.875 -16.057 0.477 503 HB3 ARG 71 2HB ARG 71 -5.584 -17.658 0.641 504 HG2 ARG 71 1HG ARG 71 -4.971 -17.284 3.181 505 HG3 ARG 71 2HG ARG 71 -5.069 -15.588 2.701 506 HD2 ARG 71 1HD ARG 71 -7.228 -17.639 2.228 507 HD3 ARG 71 2HD ARG 71 -7.206 -16.497 3.571 508 HE ARG 71 HE ARG 71 -7.828 -15.927 0.805 509 HH11 ARG 71 2HH1 ARG 71 -6.941 -14.641 3.916 510 HH12 ARG 71 1HH1 ARG 71 -7.544 -13.053 3.577 511 HH21 ARG 71 1HH2 ARG 71 -8.504 -12.598 1.547 512 HH22 ARG 71 2HH2 ARG 71 -8.626 -13.840 0.347 513 H THR 72 H THR 72 -2.503 -15.953 -0.603 514 HA THR 72 HA THR 72 -2.281 -17.987 -2.727 515 HB THR 72 HB THR 72 -2.695 -16.331 -4.385 516 HG1 THR 72 1HG THR 72 -2.903 -14.330 -2.382 517 HG21 THR 72 3HG2 THR 72 -4.788 -16.996 -3.682 518 HG22 THR 72 1HG2 THR 72 -4.890 -15.254 -3.429 519 HG23 THR 72 2HG2 THR 72 -4.575 -16.326 -2.065 520 H GLY 73 H GLY 73 -0.622 -15.776 -0.746 521 HA2 GLY 73 1HA GLY 73 1.608 -15.253 -0.576 522 HA3 GLY 73 2HA GLY 73 1.917 -16.564 -1.704 523 H LYS 74 H LYS 74 -0.256 -14.196 -2.837 524 HA LYS 74 HA LYS 74 1.591 -13.388 -4.885 525 HB2 LYS 74 1HB LYS 74 -1.182 -12.332 -4.306 526 HB3 LYS 74 2HB LYS 74 -0.272 -12.121 -5.797 527 HG2 LYS 74 1HG LYS 74 -0.935 -14.860 -4.799 528 HG3 LYS 74 2HG LYS 74 -2.124 -13.910 -5.694 529 HD2 LYS 74 1HD LYS 74 -0.431 -13.642 -7.510 530 HD3 LYS 74 2HD LYS 74 0.614 -14.761 -6.631 531 HE2 LYS 74 1HE LYS 74 -0.420 -16.230 -8.040 532 HE3 LYS 74 2HE LYS 74 -1.553 -16.271 -6.690 533 HZ1 LYS 74 3HZ LYS 74 -3.066 -14.943 -7.818 534 HZ2 LYS 74 1HZ LYS 74 -2.485 -15.970 -9.031 535 HZ3 LYS 74 2HZ LYS 74 -1.919 -14.379 -8.926 536 HA PRO 75 HA PRO 75 3.177 -9.700 -3.103 537 HB2 PRO 75 2HB PRO 75 4.544 -9.548 -4.944 538 HB3 PRO 75 1HB PRO 75 3.509 -8.165 -5.318 539 HG2 PRO 75 1HG PRO 75 2.218 -9.375 -6.820 540 HG3 PRO 75 2HG PRO 75 3.788 -10.166 -7.054 541 HD2 PRO 75 1HD PRO 75 1.551 -11.538 -6.386 542 HD3 PRO 75 2HD PRO 75 3.170 -12.031 -5.849 543 H ILE 76 H ILE 76 1.563 -8.807 -1.855 544 HA ILE 76 HA ILE 76 -0.324 -7.004 -3.221 545 HB ILE 76 HB ILE 76 -1.725 -7.163 -1.192 546 HG12 ILE 76 1HG1 ILE 76 -0.096 -9.510 -0.291 547 HG13 ILE 76 2HG1 ILE 76 0.390 -7.888 0.189 548 HG21 ILE 76 1HG2 ILE 76 -1.027 -9.667 -2.692 549 HG22 ILE 76 2HG2 ILE 76 -2.339 -9.622 -1.515 550 HG23 ILE 76 3HG2 ILE 76 -2.392 -8.578 -2.935 551 HD11 ILE 76 3HD1 ILE 76 -1.327 -9.462 1.564 552 HD12 ILE 76 1HD1 ILE 76 -1.270 -7.703 1.673 553 HD13 ILE 76 2HD1 ILE 76 -2.443 -8.484 0.612 554 H ALA 77 H ALA 77 -0.997 -5.099 -1.842 555 HA ALA 77 HA ALA 77 1.422 -3.821 -0.816 556 HB1 ALA 77 3HB ALA 77 -0.952 -2.152 -0.908 557 HB2 ALA 77 1HB ALA 77 0.622 -1.926 -1.671 558 HB3 ALA 77 2HB ALA 77 -0.606 -2.919 -2.458 559 H VAL 78 H VAL 78 1.494 -2.756 1.192 560 HA VAL 78 HA VAL 78 -0.709 -3.135 3.054 561 HB VAL 78 HB VAL 78 0.734 -4.158 4.776 562 HG11 VAL 78 1HG1 VAL 78 -0.706 -5.616 3.538 563 HG12 VAL 78 2HG1 VAL 78 0.437 -5.688 2.195 564 HG13 VAL 78 3HG1 VAL 78 0.847 -6.426 3.744 565 HG21 VAL 78 3HG2 VAL 78 2.937 -4.423 4.540 566 HG22 VAL 78 1HG2 VAL 78 2.752 -5.166 2.952 567 HG23 VAL 78 2HG2 VAL 78 2.810 -3.410 3.103 568 H LYS 79 H LYS 79 -0.418 -1.948 5.059 569 HA LYS 79 HA LYS 79 -0.036 0.043 6.107 570 HB2 LYS 79 1HB LYS 79 2.824 -0.447 5.266 571 HB3 LYS 79 2HB LYS 79 2.271 0.498 6.642 572 HG2 LYS 79 1HG LYS 79 1.777 -2.454 6.349 573 HG3 LYS 79 2HG LYS 79 3.168 -1.770 7.193 574 HD2 LYS 79 1HD LYS 79 1.899 -0.989 8.934 575 HD3 LYS 79 2HD LYS 79 0.450 -0.814 7.942 576 HE2 LYS 79 1HE LYS 79 0.096 -3.192 7.948 577 HE3 LYS 79 2HE LYS 79 1.634 -3.462 8.766 578 HZ1 LYS 79 3HZ LYS 79 0.659 -3.166 10.718 579 HZ2 LYS 79 1HZ LYS 79 -0.840 -3.084 9.937 580 HZ3 LYS 79 2HZ LYS 79 0.028 -1.667 10.253 581 H LEU 80 H LEU 80 -1.020 0.507 3.628 582 HA LEU 80 HA LEU 80 0.524 2.120 1.933 583 HB2 LEU 80 1HB LEU 80 -2.026 1.116 1.915 584 HB3 LEU 80 2HB LEU 80 -2.303 2.848 2.094 585 HG LEU 80 HG LEU 80 -0.535 2.840 0.046 586 HD11 LEU 80 1HD1 LEU 80 -0.941 0.199 0.255 587 HD12 LEU 80 2HD1 LEU 80 -0.609 1.012 -1.274 588 HD13 LEU 80 3HD1 LEU 80 -2.269 0.618 -0.828 589 HD21 LEU 80 3HD2 LEU 80 -2.608 4.061 0.059 590 HD22 LEU 80 1HD2 LEU 80 -3.535 2.567 -0.078 591 HD23 LEU 80 2HD2 LEU 80 -2.520 3.100 -1.418 592 H VAL 81 H VAL 81 0.507 4.404 1.626 593 HA VAL 81 HA VAL 81 -0.594 6.133 3.644 594 HB VAL 81 HB VAL 81 1.412 5.354 4.816 595 HG11 VAL 81 1HG1 VAL 81 3.392 5.071 3.836 596 HG12 VAL 81 2HG1 VAL 81 2.580 5.382 2.300 597 HG13 VAL 81 3HG1 VAL 81 3.371 6.701 3.164 598 HG21 VAL 81 3HG2 VAL 81 2.549 7.698 4.955 599 HG22 VAL 81 1HG2 VAL 81 1.220 8.192 3.906 600 HG23 VAL 81 2HG2 VAL 81 0.881 7.496 5.491 601 H LYS 82 H LYS 82 -1.205 7.913 2.622 602 HA LYS 82 HA LYS 82 -0.532 8.476 -0.050 603 HB2 LYS 82 1HB LYS 82 -2.550 9.248 1.472 604 HB3 LYS 82 2HB LYS 82 -1.517 10.643 1.757 605 HG2 LYS 82 1HG LYS 82 -1.710 11.402 -0.383 606 HG3 LYS 82 2HG LYS 82 -1.968 9.788 -1.051 607 HD2 LYS 82 1HD LYS 82 -4.221 9.757 -0.391 608 HD3 LYS 82 2HD LYS 82 -4.001 11.109 0.723 609 HE2 LYS 82 1HE LYS 82 -3.552 11.450 -2.220 610 HE3 LYS 82 2HE LYS 82 -5.177 11.526 -1.541 611 HZ1 LYS 82 3HZ LYS 82 -4.082 13.714 -1.744 612 HZ2 LYS 82 1HZ LYS 82 -2.911 13.212 -0.630 613 HZ3 LYS 82 2HZ LYS 82 -4.528 13.344 -0.155 614 H ILE 83 H ILE 83 1.238 9.354 -0.877 615 HA ILE 83 HA ILE 83 3.409 10.248 0.637 616 HB ILE 83 HB ILE 83 2.932 11.150 -2.190 617 HG12 ILE 83 1HG1 ILE 83 3.641 8.399 -1.182 618 HG13 ILE 83 2HG1 ILE 83 2.373 8.851 -2.316 619 HG21 ILE 83 1HG2 ILE 83 4.969 11.737 -0.625 620 HG22 ILE 83 2HG2 ILE 83 5.520 10.141 -1.129 621 HG23 ILE 83 3HG2 ILE 83 5.202 11.386 -2.337 622 HD11 ILE 83 3HD1 ILE 83 3.760 8.336 -3.956 623 HD12 ILE 83 1HD1 ILE 83 4.761 9.708 -3.480 624 HD13 ILE 83 2HD1 ILE 83 5.091 8.105 -2.822 625 H SER 84 H SER 84 1.176 12.193 -1.357 626 HA SER 84 HA SER 84 1.867 14.518 0.317 627 HB2 SER 84 1HB SER 84 1.037 14.385 -2.587 628 HB3 SER 84 2HB SER 84 1.133 15.888 -1.670 629 HG SER 84 HG SER 84 3.399 14.925 -1.202 630 H GLY 85 H GLY 85 0.281 15.543 1.388 631 HA2 GLY 85 1HA GLY 85 -2.228 16.169 0.899 632 HA3 GLY 85 2HA GLY 85 -2.420 14.442 1.156 633 HA PRO 86 HA PRO 86 -1.060 16.543 5.334 634 HB2 PRO 86 2HB PRO 86 -0.123 18.602 4.932 635 HB3 PRO 86 1HB PRO 86 -1.695 19.177 5.502 636 HG2 PRO 86 1HG PRO 86 -2.493 19.516 3.348 637 HG3 PRO 86 2HG PRO 86 -0.775 19.879 3.101 638 HD2 PRO 86 1HD PRO 86 -2.093 18.011 1.650 639 HD3 PRO 86 2HD PRO 86 -0.371 17.865 2.056 640 H SER 87 H SER 87 -2.411 16.526 7.090 641 HA SER 87 HA SER 87 -5.251 16.357 6.524 642 HB2 SER 87 1HB SER 87 -3.906 14.749 8.026 643 HB3 SER 87 2HB SER 87 -3.988 16.026 9.239 644 HG SER 87 HG SER 87 -6.366 15.304 7.983 645 H SER 88 H SER 88 -6.595 18.006 6.741 646 HA SER 88 HA SER 88 -6.316 19.888 8.918 647 HB2 SER 88 1HB SER 88 -6.291 21.882 7.468 648 HB3 SER 88 2HB SER 88 -4.851 20.894 7.224 649 HG SER 88 HG SER 88 -6.019 19.964 5.398 650 H GLY 89 H GLY 89 -8.199 21.160 9.262 651 HA2 GLY 89 1HA GLY 89 -10.616 19.837 8.630 652 HA3 GLY 89 2HA GLY 89 -10.478 21.415 9.393 Start of MODEL 16 1 H1 GLY 1 H GLY 1 26.202 -23.356 20.953 2 HA2 GLY 1 1HA GLY 1 25.461 -25.354 19.607 3 HA3 GLY 1 2HA GLY 1 25.014 -23.816 18.885 4 H SER 2 H SER 2 26.439 -26.745 18.304 5 HA SER 2 HA SER 2 28.344 -25.816 16.320 6 HB2 SER 2 1HB SER 2 28.880 -28.171 16.007 7 HB3 SER 2 2HB SER 2 28.845 -27.798 17.730 8 HG SER 2 HG SER 2 27.257 -29.150 17.964 9 H SER 3 H SER 3 25.298 -27.637 16.400 10 HA SER 3 HA SER 3 25.101 -27.425 13.487 11 HB2 SER 3 1HB SER 3 23.131 -28.968 13.791 12 HB3 SER 3 2HB SER 3 24.675 -29.639 14.315 13 HG SER 3 HG SER 3 22.476 -29.398 15.731 14 H GLY 4 H GLY 4 24.685 -25.137 13.507 15 HA2 GLY 4 1HA GLY 4 22.104 -24.366 13.102 16 HA3 GLY 4 2HA GLY 4 22.337 -24.119 14.826 17 H SER 5 H SER 5 21.811 -21.865 14.083 18 HA SER 5 HA SER 5 24.162 -20.498 12.970 19 HB2 SER 5 1HB SER 5 21.237 -19.849 13.044 20 HB3 SER 5 2HB SER 5 22.409 -18.539 12.904 21 HG SER 5 HG SER 5 22.828 -20.682 11.214 22 H SER 6 H SER 6 25.470 -20.264 14.743 23 HA SER 6 HA SER 6 24.388 -18.615 16.934 24 HB2 SER 6 1HB SER 6 26.216 -20.990 17.003 25 HB3 SER 6 2HB SER 6 26.356 -19.751 18.250 26 HG SER 6 HG SER 6 23.953 -21.103 17.575 27 H GLY 7 H GLY 7 25.487 -16.806 17.476 28 HA2 GLY 7 1HA GLY 7 27.017 -15.101 17.339 29 HA3 GLY 7 2HA GLY 7 28.225 -16.348 17.061 30 H GLY 8 H GLY 8 28.358 -13.834 15.858 31 HA2 GLY 8 1HA GLY 8 29.260 -13.682 13.563 32 HA3 GLY 8 2HA GLY 8 27.816 -14.534 13.037 33 H TYR 9 H TYR 9 29.167 -11.674 12.808 34 HA TYR 9 HA TYR 9 26.587 -10.284 12.757 35 HB2 TYR 9 1HB TYR 9 29.032 -8.842 13.736 36 HB3 TYR 9 2HB TYR 9 27.338 -8.412 13.942 37 HD1 TYR 9 1HD TYR 9 25.935 -9.709 15.562 38 HD2 TYR 9 2HD TYR 9 30.154 -10.202 15.320 39 HE1 TYR 9 1HE TYR 9 25.933 -10.766 17.783 40 HE2 TYR 9 2HE TYR 9 30.164 -11.261 17.539 41 HH TYR 9 HH TYR 9 28.386 -12.566 18.964 42 HA PRO 10 HA PRO 10 26.127 -8.004 12.421 43 HB2 PRO 10 2HB PRO 10 25.859 -6.281 10.924 44 HB3 PRO 10 1HB PRO 10 24.490 -7.261 10.387 45 HG2 PRO 10 1HG PRO 10 25.669 -8.157 8.599 46 HG3 PRO 10 2HG PRO 10 26.407 -6.546 8.680 47 HD2 PRO 10 1HD PRO 10 27.865 -8.825 8.801 48 HD3 PRO 10 2HD PRO 10 28.337 -7.342 9.656 49 H ASN 11 H ASN 11 24.175 -8.844 13.079 50 HA ASN 11 HA ASN 11 23.615 -11.525 12.580 51 HB2 ASN 11 1HB ASN 11 22.122 -9.282 13.873 52 HB3 ASN 11 2HB ASN 11 21.261 -10.783 13.539 53 HD21 ASN 11 2HD2 ASN 11 23.063 -10.634 16.912 54 HD22 ASN 11 1HD2 ASN 11 22.227 -9.397 16.041 55 H GLY 12 H GLY 12 21.864 -12.549 11.492 56 HA2 GLY 12 1HA GLY 12 21.380 -11.505 8.888 57 HA3 GLY 12 2HA GLY 12 20.672 -12.963 9.567 58 H THR 13 H THR 13 20.334 -9.489 9.241 59 HA THR 13 HA THR 13 17.530 -9.729 10.117 60 HB THR 13 HB THR 13 19.269 -7.254 10.099 61 HG1 THR 13 1HG THR 13 19.905 -8.331 11.867 62 HG21 THR 13 3HG2 THR 13 17.454 -6.088 11.069 63 HG22 THR 13 1HG2 THR 13 16.538 -7.572 11.327 64 HG23 THR 13 2HG2 THR 13 16.778 -6.957 9.691 65 H SER 14 H SER 14 15.908 -8.792 8.878 66 HA SER 14 HA SER 14 16.659 -8.280 6.090 67 HB2 SER 14 1HB SER 14 14.216 -8.641 5.637 68 HB3 SER 14 2HB SER 14 15.029 -10.039 6.339 69 HG SER 14 HG SER 14 13.765 -8.177 8.019 70 H ALA 15 H ALA 15 15.469 -6.599 4.911 71 HA ALA 15 HA ALA 15 14.707 -4.337 6.640 72 HB1 ALA 15 3HB ALA 15 15.785 -2.810 5.080 73 HB2 ALA 15 1HB ALA 15 16.945 -3.976 5.717 74 HB3 ALA 15 2HB ALA 15 16.302 -4.171 4.086 75 H ALA 16 H ALA 16 13.060 -2.999 5.902 76 HA ALA 16 HA ALA 16 11.433 -4.150 3.743 77 HB1 ALA 16 3HB ALA 16 10.057 -4.111 5.580 78 HB2 ALA 16 1HB ALA 16 10.777 -2.636 6.225 79 HB3 ALA 16 2HB ALA 16 9.676 -2.552 4.849 80 H LEU 17 H LEU 17 11.107 -3.064 1.906 81 HA LEU 17 HA LEU 17 12.000 -0.261 1.786 82 HB2 LEU 17 1HB LEU 17 13.360 -1.719 0.424 83 HB3 LEU 17 2HB LEU 17 11.924 -2.375 -0.361 84 HG LEU 17 HG LEU 17 13.439 -0.579 -1.545 85 HD11 LEU 17 1HD1 LEU 17 10.430 -0.636 -1.554 86 HD12 LEU 17 2HD1 LEU 17 11.529 -1.527 -2.605 87 HD13 LEU 17 3HD1 LEU 17 11.400 0.226 -2.748 88 HD21 LEU 17 3HD2 LEU 17 13.000 0.964 0.496 89 HD22 LEU 17 1HD2 LEU 17 11.454 1.274 -0.294 90 HD23 LEU 17 2HD2 LEU 17 12.962 1.645 -1.131 91 H ARG 18 H ARG 18 10.429 1.179 1.590 92 HA ARG 18 HA ARG 18 7.752 0.395 0.905 93 HB2 ARG 18 1HB ARG 18 8.885 3.164 1.347 94 HB3 ARG 18 2HB ARG 18 7.180 2.733 1.310 95 HG2 ARG 18 1HG ARG 18 9.147 1.664 3.321 96 HG3 ARG 18 2HG ARG 18 8.107 3.064 3.590 97 HD2 ARG 18 1HD ARG 18 6.899 0.479 2.713 98 HD3 ARG 18 2HD ARG 18 7.372 0.687 4.399 99 HE ARG 18 HE ARG 18 5.180 1.982 3.028 100 HH11 ARG 18 2HH1 ARG 18 7.294 1.989 5.794 101 HH12 ARG 18 1HH1 ARG 18 6.217 2.923 6.778 102 HH21 ARG 18 1HH2 ARG 18 4.203 3.618 5.935 103 HH22 ARG 18 2HH2 ARG 18 3.754 3.213 4.313 104 H GLU 19 H GLU 19 6.925 0.302 -1.069 105 HA GLU 19 HA GLU 19 8.371 1.570 -3.275 106 HB2 GLU 19 1HB GLU 19 6.070 -0.376 -3.454 107 HB3 GLU 19 2HB GLU 19 7.179 0.088 -4.737 108 HG2 GLU 19 1HG GLU 19 8.115 -1.290 -2.244 109 HG3 GLU 19 2HG GLU 19 7.531 -2.178 -3.650 110 H THR 20 H THR 20 7.298 2.831 -4.851 111 HA THR 20 HA THR 20 4.794 4.060 -3.893 112 HB THR 20 HB THR 20 5.472 6.160 -4.856 113 HG1 THR 20 1HG THR 20 7.828 6.107 -5.653 114 HG21 THR 20 3HG2 THR 20 7.541 4.832 -3.126 115 HG22 THR 20 1HG2 THR 20 6.284 5.977 -2.658 116 HG23 THR 20 2HG2 THR 20 7.673 6.527 -3.596 117 H GLY 21 H GLY 21 3.150 4.407 -5.340 118 HA2 GLY 21 1HA GLY 21 3.602 3.825 -8.167 119 HA3 GLY 21 2HA GLY 21 2.481 2.778 -7.310 120 H VAL 22 H VAL 22 0.580 3.322 -8.238 121 HA VAL 22 HA VAL 22 -0.480 5.954 -7.616 122 HB VAL 22 HB VAL 22 0.581 6.088 -9.921 123 HG11 VAL 22 1HG1 VAL 22 -0.681 3.705 -10.345 124 HG12 VAL 22 2HG1 VAL 22 -1.759 4.841 -11.158 125 HG13 VAL 22 3HG1 VAL 22 -0.055 4.761 -11.610 126 HG21 VAL 22 3HG2 VAL 22 -0.958 7.772 -9.326 127 HG22 VAL 22 1HG2 VAL 22 -1.483 7.195 -10.908 128 HG23 VAL 22 2HG2 VAL 22 -2.331 6.673 -9.452 129 H ILE 23 H ILE 23 -2.652 5.943 -7.271 130 HA ILE 23 HA ILE 23 -3.945 3.461 -6.871 131 HB ILE 23 HB ILE 23 -5.277 6.163 -7.051 132 HG12 ILE 23 1HG1 ILE 23 -3.296 6.089 -5.489 133 HG13 ILE 23 2HG1 ILE 23 -4.832 6.479 -4.723 134 HG21 ILE 23 1HG2 ILE 23 -6.053 3.503 -5.923 135 HG22 ILE 23 2HG2 ILE 23 -6.742 4.989 -5.273 136 HG23 ILE 23 3HG2 ILE 23 -6.971 4.581 -6.973 137 HD11 ILE 23 3HD1 ILE 23 -4.824 3.823 -4.386 138 HD12 ILE 23 1HD1 ILE 23 -3.088 4.132 -4.393 139 HD13 ILE 23 2HD1 ILE 23 -4.126 4.956 -3.229 140 H GLU 24 H GLU 24 -3.982 2.325 -8.814 141 HA GLU 24 HA GLU 24 -4.926 3.344 -11.261 142 HB2 GLU 24 1HB GLU 24 -3.606 1.164 -10.739 143 HB3 GLU 24 2HB GLU 24 -5.196 0.452 -10.507 144 HG2 GLU 24 1HG GLU 24 -4.120 0.215 -12.798 145 HG3 GLU 24 2HG GLU 24 -5.795 0.761 -12.737 146 H LYS 25 H LYS 25 -6.556 1.379 -8.783 147 HA LYS 25 HA LYS 25 -9.110 2.521 -9.632 148 HB2 LYS 25 1HB LYS 25 -8.469 0.094 -10.582 149 HB3 LYS 25 2HB LYS 25 -9.132 -0.387 -9.026 150 HG2 LYS 25 1HG LYS 25 -10.734 1.529 -10.601 151 HG3 LYS 25 2HG LYS 25 -10.612 -0.115 -11.233 152 HD2 LYS 25 1HD LYS 25 -11.374 -0.987 -9.064 153 HD3 LYS 25 2HD LYS 25 -11.527 0.665 -8.463 154 HE2 LYS 25 1HE LYS 25 -13.697 0.097 -9.107 155 HE3 LYS 25 2HE LYS 25 -13.085 1.040 -10.465 156 HZ1 LYS 25 3HZ LYS 25 -12.736 -0.912 -11.721 157 HZ2 LYS 25 1HZ LYS 25 -14.287 -1.055 -11.060 158 HZ3 LYS 25 2HZ LYS 25 -12.999 -1.921 -10.389 159 H LEU 26 H LEU 26 -10.789 2.342 -8.035 160 HA LEU 26 HA LEU 26 -9.947 1.494 -5.366 161 HB2 LEU 26 1HB LEU 26 -9.550 4.011 -5.854 162 HB3 LEU 26 2HB LEU 26 -11.300 4.141 -5.702 163 HG LEU 26 HG LEU 26 -10.784 2.880 -3.406 164 HD11 LEU 26 1HD1 LEU 26 -8.465 2.655 -3.506 165 HD12 LEU 26 2HD1 LEU 26 -8.710 4.068 -2.480 166 HD13 LEU 26 3HD1 LEU 26 -8.241 4.274 -4.167 167 HD21 LEU 26 3HD2 LEU 26 -10.525 5.273 -2.439 168 HD22 LEU 26 1HD2 LEU 26 -12.004 4.842 -3.297 169 HD23 LEU 26 2HD2 LEU 26 -10.757 5.787 -4.110 170 H LEU 27 H LEU 27 -11.577 0.709 -4.111 171 HA LEU 27 HA LEU 27 -14.313 0.903 -5.182 172 HB2 LEU 27 1HB LEU 27 -12.989 -1.524 -3.982 173 HB3 LEU 27 2HB LEU 27 -14.690 -1.414 -4.431 174 HG LEU 27 HG LEU 27 -13.601 -0.820 -6.796 175 HD11 LEU 27 1HD1 LEU 27 -11.326 -1.311 -5.445 176 HD12 LEU 27 2HD1 LEU 27 -11.518 -1.588 -7.175 177 HD13 LEU 27 3HD1 LEU 27 -11.688 -2.930 -6.044 178 HD21 LEU 27 3HD2 LEU 27 -15.218 -2.589 -6.368 179 HD22 LEU 27 1HD2 LEU 27 -13.947 -3.603 -5.684 180 HD23 LEU 27 2HD2 LEU 27 -13.908 -3.175 -7.395 181 H THR 28 H THR 28 -15.768 -0.279 -3.297 182 HA THR 28 HA THR 28 -15.558 1.564 -1.081 183 HB THR 28 HB THR 28 -17.601 -0.557 -1.752 184 HG1 THR 28 1HG THR 28 -18.822 1.620 -1.796 185 HG21 THR 28 3HG2 THR 28 -17.483 1.352 0.579 186 HG22 THR 28 1HG2 THR 28 -17.569 -0.408 0.634 187 HG23 THR 28 2HG2 THR 28 -18.954 0.525 0.067 188 H SER 29 H SER 29 -14.455 -1.556 -1.757 189 HA SER 29 HA SER 29 -14.232 -2.198 1.109 190 HB2 SER 29 1HB SER 29 -14.323 -3.960 -1.336 191 HB3 SER 29 2HB SER 29 -13.735 -4.553 0.217 192 HG SER 29 HG SER 29 -15.728 -4.757 0.811 193 H TYR 30 H TYR 30 -12.475 -2.116 -1.958 194 HA TYR 30 HA TYR 30 -10.015 -1.539 -0.555 195 HB2 TYR 30 1HB TYR 30 -8.847 -3.413 -1.918 196 HB3 TYR 30 2HB TYR 30 -9.695 -3.847 -0.438 197 HD1 TYR 30 1HD TYR 30 -11.088 -3.140 -3.819 198 HD2 TYR 30 2HD TYR 30 -10.394 -6.044 -0.787 199 HE1 TYR 30 1HE TYR 30 -12.439 -4.766 -5.076 200 HE2 TYR 30 2HE TYR 30 -11.742 -7.678 -2.036 201 HH TYR 30 HH TYR 30 -13.287 -6.814 -5.118 202 H GLY 31 H GLY 31 -8.165 -1.694 -2.452 203 HA2 GLY 31 1HA GLY 31 -9.200 -0.656 -4.966 204 HA3 GLY 31 2HA GLY 31 -8.283 0.483 -3.991 205 H PHE 32 H PHE 32 -7.532 -0.300 -6.578 206 HA PHE 32 HA PHE 32 -5.231 -2.067 -6.115 207 HB2 PHE 32 1HB PHE 32 -6.520 -1.174 -8.703 208 HB3 PHE 32 2HB PHE 32 -5.115 -2.229 -8.588 209 HD1 PHE 32 2HD PHE 32 -8.711 -1.954 -7.790 210 HD2 PHE 32 1HD PHE 32 -5.351 -4.535 -8.197 211 HE1 PHE 32 2HE PHE 32 -10.198 -3.908 -7.635 212 HE2 PHE 32 1HE PHE 32 -6.833 -6.494 -8.043 213 HZ PHE 32 HZ PHE 32 -9.260 -6.182 -7.761 214 H ILE 33 H ILE 33 -3.162 -1.474 -6.981 215 HA ILE 33 HA ILE 33 -2.809 1.400 -7.483 216 HB ILE 33 HB ILE 33 -1.136 -0.259 -5.592 217 HG12 ILE 33 1HG1 ILE 33 -2.566 2.277 -4.879 218 HG13 ILE 33 2HG1 ILE 33 -3.460 0.761 -4.923 219 HG21 ILE 33 1HG2 ILE 33 0.184 1.322 -6.970 220 HG22 ILE 33 2HG2 ILE 33 -0.807 2.640 -6.348 221 HG23 ILE 33 3HG2 ILE 33 0.209 1.708 -5.249 222 HD11 ILE 33 3HD1 ILE 33 -2.849 0.815 -2.734 223 HD12 ILE 33 1HD1 ILE 33 -1.478 -0.064 -3.409 224 HD13 ILE 33 2HD1 ILE 33 -1.335 1.659 -3.059 225 H GLN 34 H GLN 34 -1.902 1.627 -9.409 226 HA GLN 34 HA GLN 34 -0.417 -0.528 -10.628 227 HB2 GLN 34 1HB GLN 34 -1.903 0.698 -12.051 228 HB3 GLN 34 2HB GLN 34 -1.181 2.231 -11.582 229 HG2 GLN 34 1HG GLN 34 -0.123 1.989 -13.551 230 HG3 GLN 34 2HG GLN 34 0.987 1.032 -12.571 231 HE21 GLN 34 2HE2 GLN 34 0.257 -2.000 -14.109 232 HE22 GLN 34 1HE2 GLN 34 1.048 -1.175 -12.814 233 H CYS 35 H CYS 35 1.474 -0.733 -9.445 234 HA CYS 35 HA CYS 35 3.170 1.079 -8.410 235 HB2 CYS 35 1HB CYS 35 3.683 -1.497 -9.843 236 HB3 CYS 35 2HB CYS 35 5.052 -0.513 -9.341 237 HG CYS 35 HG CYS 35 3.514 -2.712 -7.601 238 H SER 36 H SER 36 4.852 2.401 -9.076 239 HA SER 36 HA SER 36 4.731 3.190 -11.899 240 HB2 SER 36 1HB SER 36 5.684 4.648 -9.429 241 HB3 SER 36 2HB SER 36 5.923 5.266 -11.064 242 HG SER 36 HG SER 36 3.354 4.492 -10.236 243 H GLU 37 H GLU 37 6.614 1.396 -9.814 244 HA GLU 37 HA GLU 37 9.093 1.961 -11.286 245 HB2 GLU 37 1HB GLU 37 8.792 0.306 -8.780 246 HB3 GLU 37 2HB GLU 37 10.283 0.913 -9.485 247 HG2 GLU 37 1HG GLU 37 9.086 3.240 -9.106 248 HG3 GLU 37 2HG GLU 37 8.236 2.318 -7.867 249 H ARG 38 H ARG 38 6.916 -0.649 -10.324 250 HA ARG 38 HA ARG 38 8.334 -2.469 -12.144 251 HB2 ARG 38 1HB ARG 38 7.472 -4.278 -10.924 252 HB3 ARG 38 2HB ARG 38 7.882 -3.087 -9.697 253 HG2 ARG 38 1HG ARG 38 5.620 -2.504 -9.365 254 HG3 ARG 38 2HG ARG 38 5.112 -3.366 -10.819 255 HD2 ARG 38 1HD ARG 38 6.338 -4.688 -8.405 256 HD3 ARG 38 2HD ARG 38 4.603 -4.552 -8.682 257 HE ARG 38 HE ARG 38 5.594 -5.724 -10.951 258 HH11 ARG 38 2HH1 ARG 38 5.644 -6.451 -7.547 259 HH12 ARG 38 1HH1 ARG 38 5.703 -8.167 -7.781 260 HH21 ARG 38 1HH2 ARG 38 5.719 -9.036 -9.901 261 HH22 ARG 38 2HH2 ARG 38 5.671 -7.980 -11.273 262 H GLN 39 H GLN 39 5.989 -0.320 -12.404 263 HA GLN 39 HA GLN 39 3.968 -0.152 -13.504 264 HB2 GLN 39 1HB GLN 39 4.271 -1.264 -15.874 265 HB3 GLN 39 2HB GLN 39 5.208 0.151 -15.413 266 HG2 GLN 39 1HG GLN 39 6.761 -1.277 -16.388 267 HG3 GLN 39 2HG GLN 39 6.999 -1.497 -14.655 268 HE21 GLN 39 2HE2 GLN 39 6.929 -4.912 -15.271 269 HE22 GLN 39 1HE2 GLN 39 7.839 -3.532 -14.771 270 H ALA 40 H ALA 40 3.581 -2.061 -11.655 271 HA ALA 40 HA ALA 40 2.076 -4.131 -13.116 272 HB1 ALA 40 3HB ALA 40 3.426 -4.488 -10.444 273 HB2 ALA 40 1HB ALA 40 2.544 -5.714 -11.356 274 HB3 ALA 40 2HB ALA 40 4.061 -5.068 -11.984 275 H ARG 41 H ARG 41 -0.014 -4.420 -12.552 276 HA ARG 41 HA ARG 41 -1.262 -2.450 -10.898 277 HB2 ARG 41 1HB ARG 41 -2.171 -4.711 -12.604 278 HB3 ARG 41 2HB ARG 41 -3.272 -4.150 -11.352 279 HG2 ARG 41 1HG ARG 41 -3.632 -2.145 -12.368 280 HG3 ARG 41 2HG ARG 41 -2.035 -2.115 -13.120 281 HD2 ARG 41 1HD ARG 41 -2.690 -3.517 -14.856 282 HD3 ARG 41 2HD ARG 41 -4.076 -4.137 -13.960 283 HE ARG 41 HE ARG 41 -3.971 -1.751 -15.567 284 HH11 ARG 41 2HH1 ARG 41 -5.605 -3.404 -12.975 285 HH12 ARG 41 1HH1 ARG 41 -7.089 -2.533 -13.180 286 HH21 ARG 41 1HH2 ARG 41 -7.266 -0.938 -14.815 287 HH22 ARG 41 2HH2 ARG 41 -5.919 -0.598 -15.847 288 H LEU 42 H LEU 42 -0.668 -2.656 -8.780 289 HA LEU 42 HA LEU 42 -0.761 -5.219 -7.448 290 HB2 LEU 42 1HB LEU 42 0.077 -2.464 -6.751 291 HB3 LEU 42 2HB LEU 42 -0.429 -3.509 -5.426 292 HG LEU 42 HG LEU 42 1.897 -3.868 -7.298 293 HD11 LEU 42 1HD1 LEU 42 2.447 -4.309 -4.540 294 HD12 LEU 42 2HD1 LEU 42 1.578 -2.784 -4.708 295 HD13 LEU 42 3HD1 LEU 42 3.072 -3.051 -5.607 296 HD21 LEU 42 3HD2 LEU 42 1.161 -6.049 -7.241 297 HD22 LEU 42 1HD2 LEU 42 0.449 -5.881 -5.636 298 HD23 LEU 42 2HD2 LEU 42 2.200 -5.996 -5.816 299 H PHE 43 H PHE 43 -1.914 -5.292 -5.259 300 HA PHE 43 HA PHE 43 -4.554 -4.006 -5.457 301 HB2 PHE 43 1HB PHE 43 -5.241 -6.114 -6.007 302 HB3 PHE 43 2HB PHE 43 -3.866 -6.882 -5.220 303 HD1 PHE 43 2HD PHE 43 -6.472 -4.582 -3.885 304 HD2 PHE 43 1HD PHE 43 -4.710 -8.455 -3.763 305 HE1 PHE 43 2HE PHE 43 -7.902 -5.168 -1.970 306 HE2 PHE 43 1HE PHE 43 -6.138 -9.048 -1.848 307 HZ PHE 43 HZ PHE 43 -7.735 -7.403 -0.949 308 H PHE 44 H PHE 44 -4.709 -2.649 -3.802 309 HA PHE 44 HA PHE 44 -3.530 -3.420 -1.221 310 HB2 PHE 44 1HB PHE 44 -3.087 -1.211 -0.785 311 HB3 PHE 44 2HB PHE 44 -3.007 -1.175 -2.544 312 HD1 PHE 44 1HD PHE 44 -4.832 -0.207 -3.850 313 HD2 PHE 44 2HD PHE 44 -4.849 -0.122 0.405 314 HE1 PHE 44 1HE PHE 44 -6.582 1.522 -3.895 315 HE2 PHE 44 2HE PHE 44 -6.600 1.606 0.368 316 HZ PHE 44 HZ PHE 44 -7.469 2.430 -1.784 317 H HIS 45 H HIS 45 -4.742 -3.442 0.631 318 HA HIS 45 HA HIS 45 -7.637 -3.449 0.245 319 HB2 HIS 45 1HB HIS 45 -6.065 -5.222 1.528 320 HB3 HIS 45 2HB HIS 45 -6.477 -4.169 2.878 321 HD1 HIS 45 1HD HIS 45 -9.384 -3.577 2.397 322 HD2 HIS 45 2HD HIS 45 -7.727 -7.337 1.785 323 HE1 HIS 45 1HE HIS 45 -11.306 -5.192 2.553 324 HE2 HIS 45 2HE HIS 45 -10.265 -7.468 2.264 325 H CYS 46 H CYS 46 -9.046 -2.149 1.360 326 HA CYS 46 HA CYS 46 -8.284 0.428 2.021 327 HB2 CYS 46 1HB CYS 46 -10.492 0.771 2.784 328 HB3 CYS 46 2HB CYS 46 -10.628 -0.474 1.548 329 HG CYS 46 HG CYS 46 -12.190 -0.690 4.126 330 H SER 47 H SER 47 -7.850 -2.414 3.813 331 HA SER 47 HA SER 47 -7.854 -1.170 6.418 332 HB2 SER 47 1HB SER 47 -8.496 -3.482 6.330 333 HB3 SER 47 2HB SER 47 -7.023 -3.917 5.464 334 HG SER 47 HG SER 47 -5.866 -3.237 7.368 335 H GLN 48 H GLN 48 -5.544 -1.912 3.923 336 HA GLN 48 HA GLN 48 -3.183 -1.744 5.451 337 HB2 GLN 48 1HB GLN 48 -3.499 -0.983 2.546 338 HB3 GLN 48 2HB GLN 48 -2.025 -1.498 3.355 339 HG2 GLN 48 1HG GLN 48 -4.463 -3.189 2.850 340 HG3 GLN 48 2HG GLN 48 -2.926 -3.281 1.992 341 HE21 GLN 48 2HE2 GLN 48 -3.163 -5.900 4.653 342 HE22 GLN 48 1HE2 GLN 48 -4.201 -5.411 3.361 343 H TYR 49 H TYR 49 -4.851 0.706 3.477 344 HA TYR 49 HA TYR 49 -3.136 2.835 3.911 345 HB2 TYR 49 1HB TYR 49 -5.062 2.819 2.325 346 HB3 TYR 49 2HB TYR 49 -6.148 3.006 3.697 347 HD1 TYR 49 2HD TYR 49 -2.894 4.660 2.916 348 HD2 TYR 49 1HD TYR 49 -7.077 5.124 3.542 349 HE1 TYR 49 2HE TYR 49 -2.638 7.103 2.780 350 HE2 TYR 49 1HE TYR 49 -6.833 7.568 3.407 351 HH TYR 49 HH TYR 49 -3.666 9.087 3.182 352 H ASN 50 H ASN 50 -2.556 3.924 5.663 353 HA ASN 50 HA ASN 50 -3.805 3.425 8.195 354 HB2 ASN 50 1HB ASN 50 -1.495 3.705 8.371 355 HB3 ASN 50 2HB ASN 50 -1.478 5.080 7.272 356 HD21 ASN 50 2HD2 ASN 50 -1.552 7.380 9.823 357 HD22 ASN 50 1HD2 ASN 50 -1.148 6.955 8.198 358 H GLY 51 H GLY 51 -3.774 6.052 5.859 359 HA2 GLY 51 1HA GLY 51 -5.057 7.969 7.530 360 HA3 GLY 51 2HA GLY 51 -4.918 8.047 5.780 361 H ASN 52 H ASN 52 -6.939 8.540 5.147 362 HA ASN 52 HA ASN 52 -9.061 6.641 5.887 363 HB2 ASN 52 1HB ASN 52 -9.215 8.928 7.036 364 HB3 ASN 52 2HB ASN 52 -9.588 9.575 5.442 365 HD21 ASN 52 2HD2 ASN 52 -12.246 6.847 6.938 366 HD22 ASN 52 1HD2 ASN 52 -10.544 6.576 7.066 367 H LEU 53 H LEU 53 -9.509 5.540 4.096 368 HA LEU 53 HA LEU 53 -8.880 5.909 1.536 369 HB2 LEU 53 1HB LEU 53 -11.275 4.747 2.829 370 HB3 LEU 53 2HB LEU 53 -11.367 5.026 1.091 371 HG LEU 53 HG LEU 53 -10.666 2.707 1.867 372 HD11 LEU 53 1HD1 LEU 53 -10.087 2.637 -0.271 373 HD12 LEU 53 2HD1 LEU 53 -8.478 3.195 0.187 374 HD13 LEU 53 3HD1 LEU 53 -9.717 4.361 -0.276 375 HD21 LEU 53 3HD2 LEU 53 -9.049 3.771 3.582 376 HD22 LEU 53 1HD2 LEU 53 -7.949 3.914 2.211 377 HD23 LEU 53 2HD2 LEU 53 -8.538 2.327 2.706 378 H GLN 54 H GLN 54 -11.710 7.418 3.062 379 HA GLN 54 HA GLN 54 -12.922 8.675 0.997 380 HB2 GLN 54 1HB GLN 54 -12.370 9.591 3.798 381 HB3 GLN 54 2HB GLN 54 -13.206 10.654 2.674 382 HG2 GLN 54 1HG GLN 54 -14.107 7.866 3.354 383 HG3 GLN 54 2HG GLN 54 -14.705 9.327 4.138 384 HE21 GLN 54 2HE2 GLN 54 -16.568 8.061 0.958 385 HE22 GLN 54 1HE2 GLN 54 -15.632 7.126 2.068 386 H ASP 55 H ASP 55 -10.062 9.911 2.712 387 HA ASP 55 HA ASP 55 -9.756 12.228 1.130 388 HB2 ASP 55 1HB ASP 55 -7.854 10.677 2.880 389 HB3 ASP 55 2HB ASP 55 -7.354 12.127 2.014 390 H LEU 56 H LEU 56 -8.585 8.935 0.791 391 HA LEU 56 HA LEU 56 -6.744 9.459 -1.306 392 HB2 LEU 56 1HB LEU 56 -7.059 7.381 0.269 393 HB3 LEU 56 2HB LEU 56 -8.110 6.824 -1.032 394 HG LEU 56 HG LEU 56 -6.268 6.853 -2.592 395 HD11 LEU 56 1HD1 LEU 56 -4.884 8.260 -0.365 396 HD12 LEU 56 2HD1 LEU 56 -4.862 8.587 -2.097 397 HD13 LEU 56 3HD1 LEU 56 -3.936 7.236 -1.444 398 HD21 LEU 56 3HD2 LEU 56 -6.488 5.154 -0.374 399 HD22 LEU 56 1HD2 LEU 56 -4.765 5.485 -0.562 400 HD23 LEU 56 2HD2 LEU 56 -5.688 4.821 -1.911 401 H LYS 57 H LYS 57 -6.971 8.613 -3.528 402 HA LYS 57 HA LYS 57 -9.590 8.209 -4.615 403 HB2 LYS 57 1HB LYS 57 -9.408 10.227 -6.157 404 HB3 LYS 57 2HB LYS 57 -9.851 10.551 -4.486 405 HG2 LYS 57 1HG LYS 57 -7.697 11.373 -3.974 406 HG3 LYS 57 2HG LYS 57 -7.026 10.762 -5.488 407 HD2 LYS 57 1HD LYS 57 -7.984 12.442 -6.744 408 HD3 LYS 57 2HD LYS 57 -9.271 12.729 -5.571 409 HE2 LYS 57 1HE LYS 57 -7.533 13.640 -4.018 410 HE3 LYS 57 2HE LYS 57 -6.370 13.514 -5.337 411 HZ1 LYS 57 3HZ LYS 57 -8.877 14.971 -5.792 412 HZ2 LYS 57 1HZ LYS 57 -7.354 15.206 -6.491 413 HZ3 LYS 57 2HZ LYS 57 -7.647 15.725 -4.909 414 H VAL 58 H VAL 58 -9.523 7.931 -6.995 415 HA VAL 58 HA VAL 58 -7.218 6.406 -7.739 416 HB VAL 58 HB VAL 58 -9.747 7.150 -9.191 417 HG11 VAL 58 1HG1 VAL 58 -8.933 5.514 -10.951 418 HG12 VAL 58 2HG1 VAL 58 -8.168 7.105 -10.943 419 HG13 VAL 58 3HG1 VAL 58 -7.326 5.717 -10.253 420 HG21 VAL 58 3HG2 VAL 58 -8.636 4.502 -8.264 421 HG22 VAL 58 1HG2 VAL 58 -9.889 5.435 -7.445 422 HG23 VAL 58 2HG2 VAL 58 -10.196 4.760 -9.045 423 H GLY 59 H GLY 59 -5.423 7.133 -8.662 424 HA2 GLY 59 1HA GLY 59 -4.332 8.283 -10.471 425 HA3 GLY 59 2HA GLY 59 -5.587 9.511 -10.392 426 H ASP 60 H ASP 60 -4.258 8.361 -7.425 427 HA ASP 60 HA ASP 60 -2.644 10.818 -7.207 428 HB2 ASP 60 1HB ASP 60 -4.597 9.590 -5.302 429 HB3 ASP 60 2HB ASP 60 -3.215 10.469 -4.655 430 H ASP 61 H ASP 61 -0.679 10.685 -6.150 431 HA ASP 61 HA ASP 61 0.605 8.138 -6.221 432 HB2 ASP 61 1HB ASP 61 1.424 10.930 -5.568 433 HB3 ASP 61 2HB ASP 61 2.450 9.615 -5.001 434 H VAL 62 H VAL 62 1.360 6.871 -4.545 435 HA VAL 62 HA VAL 62 0.938 7.637 -1.795 436 HB VAL 62 HB VAL 62 -0.388 5.425 -1.427 437 HG11 VAL 62 1HG1 VAL 62 -2.298 7.255 -2.604 438 HG12 VAL 62 2HG1 VAL 62 -2.054 6.812 -0.913 439 HG13 VAL 62 3HG1 VAL 62 -1.091 8.101 -1.636 440 HG21 VAL 62 3HG2 VAL 62 -1.979 5.650 -3.722 441 HG22 VAL 62 1HG2 VAL 62 -0.312 5.592 -4.295 442 HG23 VAL 62 2HG2 VAL 62 -0.937 4.302 -3.267 443 H GLU 63 H GLU 63 2.171 6.457 -0.376 444 HA GLU 63 HA GLU 63 4.066 4.600 -1.609 445 HB2 GLU 63 1HB GLU 63 4.763 6.637 -0.199 446 HB3 GLU 63 2HB GLU 63 4.240 5.693 1.189 447 HG2 GLU 63 1HG GLU 63 5.816 3.875 0.196 448 HG3 GLU 63 2HG GLU 63 6.541 5.241 -0.650 449 H PHE 64 H PHE 64 4.284 2.503 -1.001 450 HA PHE 64 HA PHE 64 2.838 1.497 1.313 451 HB2 PHE 64 1HB PHE 64 1.866 -0.363 -0.163 452 HB3 PHE 64 2HB PHE 64 1.098 1.219 -0.250 453 HD1 PHE 64 1HD PHE 64 1.762 2.756 -2.166 454 HD2 PHE 64 2HD PHE 64 2.677 -1.400 -2.080 455 HE1 PHE 64 1HE PHE 64 2.090 2.781 -4.604 456 HE2 PHE 64 2HE PHE 64 3.007 -1.381 -4.518 457 HZ PHE 64 HZ PHE 64 2.714 0.711 -5.783 458 H GLU 65 H GLU 65 3.172 -1.035 1.352 459 HA GLU 65 HA GLU 65 5.969 -1.571 0.596 460 HB2 GLU 65 1HB GLU 65 6.084 -1.336 2.918 461 HB3 GLU 65 2HB GLU 65 4.519 -2.096 3.169 462 HG2 GLU 65 1HG GLU 65 6.136 -3.628 3.928 463 HG3 GLU 65 2HG GLU 65 5.553 -4.245 2.383 464 H VAL 66 H VAL 66 6.141 -3.179 -0.804 465 HA VAL 66 HA VAL 66 3.955 -4.905 -1.424 466 HB VAL 66 HB VAL 66 6.841 -5.069 -2.307 467 HG11 VAL 66 1HG1 VAL 66 5.149 -7.104 -2.472 468 HG12 VAL 66 2HG1 VAL 66 4.611 -6.213 -3.898 469 HG13 VAL 66 3HG1 VAL 66 6.292 -6.733 -3.763 470 HG21 VAL 66 3HG2 VAL 66 4.493 -3.966 -3.834 471 HG22 VAL 66 1HG2 VAL 66 5.580 -2.962 -2.874 472 HG23 VAL 66 2HG2 VAL 66 6.203 -3.868 -4.252 473 H SER 67 H SER 67 3.384 -6.669 -0.356 474 HA SER 67 HA SER 67 5.478 -8.305 0.906 475 HB2 SER 67 1HB SER 67 3.952 -6.789 2.456 476 HB3 SER 67 2HB SER 67 2.804 -8.107 2.226 477 HG SER 67 HG SER 67 5.448 -8.710 2.933 478 H SER 68 H SER 68 4.347 -10.473 1.676 479 HA SER 68 HA SER 68 2.863 -11.475 -0.660 480 HB2 SER 68 1HB SER 68 4.874 -12.672 -0.600 481 HB3 SER 68 2HB SER 68 4.883 -12.756 1.161 482 HG SER 68 HG SER 68 4.040 -14.594 -0.468 483 H ASP 69 H ASP 69 0.981 -12.577 -0.399 484 HA ASP 69 HA ASP 69 -0.404 -12.255 2.090 485 HB2 ASP 69 1HB ASP 69 -1.433 -12.106 -0.233 486 HB3 ASP 69 2HB ASP 69 -1.340 -13.864 -0.285 487 H ARG 70 H ARG 70 -1.649 -14.128 3.041 488 HA ARG 70 HA ARG 70 0.188 -16.397 3.354 489 HB2 ARG 70 1HB ARG 70 -2.126 -15.693 5.156 490 HB3 ARG 70 2HB ARG 70 -0.772 -16.759 5.504 491 HG2 ARG 70 1HG ARG 70 -0.510 -13.797 5.048 492 HG3 ARG 70 2HG ARG 70 -0.661 -14.551 6.636 493 HD2 ARG 70 1HD ARG 70 1.618 -14.400 6.466 494 HD3 ARG 70 2HD ARG 70 1.354 -16.002 5.779 495 HE ARG 70 HE ARG 70 1.309 -13.951 3.793 496 HH11 ARG 70 2HH1 ARG 70 3.405 -15.946 5.728 497 HH12 ARG 70 1HH1 ARG 70 4.724 -15.875 4.607 498 HH21 ARG 70 1HH2 ARG 70 4.514 -14.682 2.662 499 HH22 ARG 70 2HH2 ARG 70 3.038 -13.850 2.309 500 H ARG 71 H ARG 71 -2.487 -15.622 1.640 501 HA ARG 71 HA ARG 71 -3.594 -18.347 1.802 502 HB2 ARG 71 1HB ARG 71 -4.948 -15.823 0.832 503 HB3 ARG 71 2HB ARG 71 -5.682 -17.420 0.911 504 HG2 ARG 71 1HG ARG 71 -4.611 -15.997 3.331 505 HG3 ARG 71 2HG ARG 71 -6.276 -15.829 2.769 506 HD2 ARG 71 1HD ARG 71 -6.542 -17.537 4.261 507 HD3 ARG 71 2HD ARG 71 -6.185 -18.465 2.805 508 HE ARG 71 HE ARG 71 -3.838 -17.814 4.307 509 HH11 ARG 71 2HH1 ARG 71 -6.509 -20.032 4.048 510 HH12 ARG 71 1HH1 ARG 71 -5.677 -21.330 4.839 511 HH21 ARG 71 1HH2 ARG 71 -3.529 -21.035 5.579 512 HH22 ARG 71 2HH2 ARG 71 -2.732 -19.515 5.349 513 H THR 72 H THR 72 -2.635 -15.744 -0.385 514 HA THR 72 HA THR 72 -2.604 -17.696 -2.594 515 HB THR 72 HB THR 72 -2.843 -15.847 -4.151 516 HG1 THR 72 1HG THR 72 -2.660 -13.803 -3.535 517 HG21 THR 72 3HG2 THR 72 -4.919 -16.762 -3.416 518 HG22 THR 72 1HG2 THR 72 -5.106 -15.009 -3.432 519 HG23 THR 72 2HG2 THR 72 -4.855 -15.855 -1.905 520 H GLY 73 H GLY 73 -0.715 -15.669 -0.605 521 HA2 GLY 73 1HA GLY 73 1.547 -15.285 -0.515 522 HA3 GLY 73 2HA GLY 73 1.726 -16.617 -1.648 523 H LYS 74 H LYS 74 -0.304 -14.089 -2.710 524 HA LYS 74 HA LYS 74 1.594 -13.386 -4.775 525 HB2 LYS 74 1HB LYS 74 -1.235 -12.462 -4.245 526 HB3 LYS 74 2HB LYS 74 -0.278 -11.980 -5.640 527 HG2 LYS 74 1HG LYS 74 -0.064 -14.599 -5.939 528 HG3 LYS 74 2HG LYS 74 -1.575 -14.575 -5.028 529 HD2 LYS 74 1HD LYS 74 -2.197 -12.697 -6.775 530 HD3 LYS 74 2HD LYS 74 -0.970 -13.515 -7.746 531 HE2 LYS 74 1HE LYS 74 -2.167 -15.619 -7.518 532 HE3 LYS 74 2HE LYS 74 -3.366 -14.845 -6.483 533 HZ1 LYS 74 3HZ LYS 74 -2.984 -14.611 -9.381 534 HZ2 LYS 74 1HZ LYS 74 -3.612 -13.282 -8.543 535 HZ3 LYS 74 2HZ LYS 74 -4.415 -14.769 -8.492 536 HA PRO 75 HA PRO 75 3.165 -9.677 -3.030 537 HB2 PRO 75 2HB PRO 75 4.538 -9.535 -4.867 538 HB3 PRO 75 1HB PRO 75 3.505 -8.154 -5.252 539 HG2 PRO 75 1HG PRO 75 2.218 -9.373 -6.752 540 HG3 PRO 75 2HG PRO 75 3.788 -10.165 -6.976 541 HD2 PRO 75 1HD PRO 75 1.549 -11.532 -6.307 542 HD3 PRO 75 2HD PRO 75 3.165 -12.023 -5.762 543 H ILE 76 H ILE 76 1.504 -8.820 -1.797 544 HA ILE 76 HA ILE 76 -0.363 -7.009 -3.178 545 HB ILE 76 HB ILE 76 -1.765 -7.157 -1.143 546 HG12 ILE 76 1HG1 ILE 76 -0.148 -9.516 -0.252 547 HG13 ILE 76 2HG1 ILE 76 0.349 -7.899 0.232 548 HG21 ILE 76 1HG2 ILE 76 -1.082 -9.723 -2.562 549 HG22 ILE 76 2HG2 ILE 76 -2.474 -9.541 -1.495 550 HG23 ILE 76 3HG2 ILE 76 -2.355 -8.570 -2.962 551 HD11 ILE 76 3HD1 ILE 76 -2.487 -8.453 0.659 552 HD12 ILE 76 1HD1 ILE 76 -1.394 -9.476 1.591 553 HD13 ILE 76 2HD1 ILE 76 -1.294 -7.720 1.731 554 H ALA 77 H ALA 77 -1.005 -5.063 -1.903 555 HA ALA 77 HA ALA 77 1.394 -3.794 -0.835 556 HB1 ALA 77 3HB ALA 77 -0.276 -2.827 -2.615 557 HB2 ALA 77 1HB ALA 77 -1.176 -2.327 -1.182 558 HB3 ALA 77 2HB ALA 77 0.482 -1.773 -1.420 559 H VAL 78 H VAL 78 1.537 -2.870 1.192 560 HA VAL 78 HA VAL 78 -0.721 -3.135 3.024 561 HB VAL 78 HB VAL 78 0.759 -4.152 4.767 562 HG11 VAL 78 1HG1 VAL 78 0.213 -6.304 4.163 563 HG12 VAL 78 2HG1 VAL 78 -0.857 -5.374 3.112 564 HG13 VAL 78 3HG1 VAL 78 0.639 -6.053 2.471 565 HG21 VAL 78 3HG2 VAL 78 2.864 -4.974 4.315 566 HG22 VAL 78 1HG2 VAL 78 2.568 -5.074 2.579 567 HG23 VAL 78 2HG2 VAL 78 2.850 -3.507 3.336 568 H LYS 79 H LYS 79 -0.472 -1.909 4.984 569 HA LYS 79 HA LYS 79 -0.019 0.045 6.064 570 HB2 LYS 79 1HB LYS 79 2.810 -0.587 5.200 571 HB3 LYS 79 2HB LYS 79 2.346 0.508 6.497 572 HG2 LYS 79 1HG LYS 79 1.587 -1.253 7.855 573 HG3 LYS 79 2HG LYS 79 1.592 -2.397 6.511 574 HD2 LYS 79 1HD LYS 79 4.156 -1.082 7.253 575 HD3 LYS 79 2HD LYS 79 3.535 -2.355 8.307 576 HE2 LYS 79 1HE LYS 79 3.610 -2.849 5.373 577 HE3 LYS 79 2HE LYS 79 5.127 -2.896 6.269 578 HZ1 LYS 79 3HZ LYS 79 4.476 -5.048 6.481 579 HZ2 LYS 79 1HZ LYS 79 2.823 -4.691 6.417 580 HZ3 LYS 79 2HZ LYS 79 3.692 -4.416 7.841 581 H LEU 80 H LEU 80 -1.057 0.589 3.663 582 HA LEU 80 HA LEU 80 0.522 2.184 1.952 583 HB2 LEU 80 1HB LEU 80 -2.020 1.167 1.898 584 HB3 LEU 80 2HB LEU 80 -2.312 2.894 2.095 585 HG LEU 80 HG LEU 80 -0.525 2.924 0.063 586 HD11 LEU 80 1HD1 LEU 80 -2.240 0.689 -0.831 587 HD12 LEU 80 2HD1 LEU 80 -0.892 0.283 0.230 588 HD13 LEU 80 3HD1 LEU 80 -0.593 1.117 -1.295 589 HD21 LEU 80 3HD2 LEU 80 -2.563 4.153 0.015 590 HD22 LEU 80 1HD2 LEU 80 -3.525 2.675 -0.029 591 HD23 LEU 80 2HD2 LEU 80 -2.538 3.126 -1.419 592 H VAL 81 H VAL 81 0.619 4.442 1.714 593 HA VAL 81 HA VAL 81 -0.552 6.165 3.713 594 HB VAL 81 HB VAL 81 1.610 7.124 4.448 595 HG11 VAL 81 1HG1 VAL 81 0.345 5.350 5.722 596 HG12 VAL 81 2HG1 VAL 81 1.498 4.183 5.073 597 HG13 VAL 81 3HG1 VAL 81 2.059 5.496 6.108 598 HG21 VAL 81 3HG2 VAL 81 3.409 6.647 3.218 599 HG22 VAL 81 1HG2 VAL 81 3.428 5.080 4.028 600 HG23 VAL 81 2HG2 VAL 81 2.622 5.258 2.469 601 H LYS 82 H LYS 82 -0.974 8.101 2.856 602 HA LYS 82 HA LYS 82 -0.400 8.656 0.147 603 HB2 LYS 82 1HB LYS 82 -2.290 9.533 1.786 604 HB3 LYS 82 2HB LYS 82 -1.153 10.855 2.018 605 HG2 LYS 82 1HG LYS 82 -1.398 11.628 -0.117 606 HG3 LYS 82 2HG LYS 82 -1.827 10.041 -0.760 607 HD2 LYS 82 1HD LYS 82 -4.031 10.236 -0.136 608 HD3 LYS 82 2HD LYS 82 -3.671 11.355 1.181 609 HE2 LYS 82 1HE LYS 82 -3.256 12.149 -1.680 610 HE3 LYS 82 2HE LYS 82 -4.850 12.254 -0.934 611 HZ1 LYS 82 3HZ LYS 82 -3.229 13.444 0.884 612 HZ2 LYS 82 1HZ LYS 82 -4.184 14.253 -0.255 613 HZ3 LYS 82 2HZ LYS 82 -2.555 13.942 -0.585 614 H ILE 83 H ILE 83 1.203 9.763 -0.810 615 HA ILE 83 HA ILE 83 3.543 10.415 0.693 616 HB ILE 83 HB ILE 83 3.033 11.213 -2.164 617 HG12 ILE 83 1HG1 ILE 83 3.602 8.517 -0.990 618 HG13 ILE 83 2HG1 ILE 83 2.517 8.952 -2.306 619 HG21 ILE 83 1HG2 ILE 83 5.285 11.481 -2.356 620 HG22 ILE 83 2HG2 ILE 83 5.110 11.847 -0.641 621 HG23 ILE 83 3HG2 ILE 83 5.647 10.247 -1.150 622 HD11 ILE 83 3HD1 ILE 83 5.364 8.265 -2.350 623 HD12 ILE 83 1HD1 ILE 83 4.121 8.060 -3.584 624 HD13 ILE 83 2HD1 ILE 83 4.906 9.626 -3.373 625 H SER 84 H SER 84 1.420 12.416 -1.366 626 HA SER 84 HA SER 84 2.519 14.881 -0.626 627 HB2 SER 84 1HB SER 84 0.816 14.226 -2.526 628 HB3 SER 84 2HB SER 84 -0.387 14.669 -1.316 629 HG SER 84 HG SER 84 0.352 16.401 -2.746 630 H GLY 85 H GLY 85 2.330 16.120 1.131 631 HA2 GLY 85 1HA GLY 85 0.060 15.670 2.946 632 HA3 GLY 85 2HA GLY 85 1.695 15.594 3.584 633 HA PRO 86 HA PRO 86 0.746 20.178 2.255 634 HB2 PRO 86 2HB PRO 86 -0.970 20.239 0.729 635 HB3 PRO 86 1HB PRO 86 -1.897 20.785 2.131 636 HG2 PRO 86 1HG PRO 86 -2.793 18.678 2.519 637 HG3 PRO 86 2HG PRO 86 -2.654 18.635 0.752 638 HD2 PRO 86 1HD PRO 86 -1.521 16.765 2.349 639 HD3 PRO 86 2HD PRO 86 -0.800 17.266 0.805 640 H SER 87 H SER 87 0.812 21.673 3.842 641 HA SER 87 HA SER 87 0.132 20.926 6.502 642 HB2 SER 87 1HB SER 87 1.290 23.363 5.208 643 HB3 SER 87 2HB SER 87 0.700 23.476 6.866 644 HG SER 87 HG SER 87 2.870 22.899 6.890 645 H SER 88 H SER 88 -1.976 20.727 6.987 646 HA SER 88 HA SER 88 -3.850 22.796 6.107 647 HB2 SER 88 1HB SER 88 -4.672 20.612 5.653 648 HB3 SER 88 2HB SER 88 -4.236 20.033 7.261 649 HG SER 88 HG SER 88 -6.522 20.560 6.890 650 H GLY 89 H GLY 89 -3.498 24.502 7.478 651 HA2 GLY 89 1HA GLY 89 -4.799 24.555 9.939 652 HA3 GLY 89 2HA GLY 89 -3.098 24.261 10.271 Start of MODEL 17 1 H1 GLY 1 H GLY 1 44.382 14.394 7.979 2 HA2 GLY 1 1HA GLY 1 44.305 12.367 5.854 3 HA3 GLY 1 2HA GLY 1 45.660 12.365 6.973 4 H SER 2 H SER 2 43.053 10.689 6.343 5 HA SER 2 HA SER 2 42.417 10.215 9.182 6 HB2 SER 2 1HB SER 2 40.148 9.779 8.647 7 HB3 SER 2 2HB SER 2 40.557 11.248 7.762 8 HG SER 2 HG SER 2 41.076 9.660 5.989 9 H SER 3 H SER 3 41.505 7.967 9.537 10 HA SER 3 HA SER 3 43.389 6.045 8.909 11 HB2 SER 3 1HB SER 3 41.839 5.750 10.757 12 HB3 SER 3 2HB SER 3 40.476 5.664 9.642 13 HG SER 3 HG SER 3 40.960 3.655 9.199 14 H GLY 4 H GLY 4 40.254 6.643 7.344 15 HA2 GLY 4 1HA GLY 4 40.788 6.313 4.766 16 HA3 GLY 4 2HA GLY 4 40.852 4.642 5.308 17 H SER 5 H SER 5 39.058 5.344 3.386 18 HA SER 5 HA SER 5 36.485 5.788 4.682 19 HB2 SER 5 1HB SER 5 37.492 5.858 1.881 20 HB3 SER 5 2HB SER 5 35.795 5.444 2.121 21 HG SER 5 HG SER 5 37.156 7.820 2.776 22 H SER 6 H SER 6 36.459 3.795 5.868 23 HA SER 6 HA SER 6 35.769 1.474 4.187 24 HB2 SER 6 1HB SER 6 36.589 0.059 6.102 25 HB3 SER 6 2HB SER 6 37.851 0.979 5.283 26 HG SER 6 HG SER 6 38.265 1.872 7.125 27 H GLY 7 H GLY 7 33.671 1.050 4.301 28 HA2 GLY 7 1HA GLY 7 31.519 0.907 5.093 29 HA3 GLY 7 2HA GLY 7 32.277 0.388 6.592 30 H GLY 8 H GLY 8 30.238 1.504 7.378 31 HA2 GLY 8 1HA GLY 8 30.094 3.313 9.027 32 HA3 GLY 8 2HA GLY 8 30.861 4.355 7.838 33 H TYR 9 H TYR 9 29.620 4.646 5.768 34 HA TYR 9 HA TYR 9 26.739 4.336 6.021 35 HB2 TYR 9 1HB TYR 9 26.342 6.749 5.555 36 HB3 TYR 9 2HB TYR 9 27.078 6.459 7.127 37 HD1 TYR 9 2HD TYR 9 27.894 7.435 3.631 38 HD2 TYR 9 1HD TYR 9 29.057 7.551 7.722 39 HE1 TYR 9 2HE TYR 9 29.703 9.003 3.067 40 HE2 TYR 9 1HE TYR 9 30.868 9.121 7.169 41 HH TYR 9 HH TYR 9 31.450 10.147 3.819 42 HA PRO 10 HA PRO 10 24.998 5.451 4.880 43 HB2 PRO 10 2HB PRO 10 23.764 5.647 2.952 44 HB3 PRO 10 1HB PRO 10 23.261 4.006 3.375 45 HG2 PRO 10 1HG PRO 10 24.758 3.029 1.894 46 HG3 PRO 10 2HG PRO 10 24.381 4.521 1.013 47 HD2 PRO 10 1HD PRO 10 26.913 3.806 1.651 48 HD3 PRO 10 2HD PRO 10 26.394 5.501 1.561 49 H ASN 11 H ASN 11 23.747 4.200 6.305 50 HA ASN 11 HA ASN 11 24.876 1.570 6.870 51 HB2 ASN 11 1HB ASN 11 24.678 3.261 8.687 52 HB3 ASN 11 2HB ASN 11 22.927 3.204 8.509 53 HD21 ASN 11 2HD2 ASN 11 24.832 -0.110 9.985 54 HD22 ASN 11 1HD2 ASN 11 25.592 0.871 8.782 55 H GLY 12 H GLY 12 23.602 -0.295 7.158 56 HA2 GLY 12 1HA GLY 12 20.865 -0.125 6.067 57 HA3 GLY 12 2HA GLY 12 21.993 -1.343 5.492 58 H THR 13 H THR 13 19.756 -0.460 7.938 59 HA THR 13 HA THR 13 20.460 -2.810 9.552 60 HB THR 13 HB THR 13 18.828 -1.841 11.213 61 HG1 THR 13 1HG THR 13 17.990 0.143 10.850 62 HG21 THR 13 3HG2 THR 13 20.408 0.228 11.645 63 HG22 THR 13 1HG2 THR 13 21.374 -0.532 10.381 64 HG23 THR 13 2HG2 THR 13 20.993 -1.422 11.856 65 H SER 14 H SER 14 17.470 -1.169 8.491 66 HA SER 14 HA SER 14 16.021 -3.677 8.623 67 HB2 SER 14 1HB SER 14 15.151 -0.868 7.909 68 HB3 SER 14 2HB SER 14 14.063 -2.256 7.953 69 HG SER 14 HG SER 14 15.657 -1.693 10.191 70 H ALA 15 H ALA 15 14.947 -4.648 6.870 71 HA ALA 15 HA ALA 15 16.210 -4.102 4.275 72 HB1 ALA 15 3HB ALA 15 16.498 -6.365 5.190 73 HB2 ALA 15 1HB ALA 15 14.747 -6.576 5.187 74 HB3 ALA 15 2HB ALA 15 15.614 -6.372 3.664 75 H ALA 16 H ALA 16 13.351 -3.588 5.929 76 HA ALA 16 HA ALA 16 11.407 -4.046 3.940 77 HB1 ALA 16 3HB ALA 16 11.232 -1.910 6.048 78 HB2 ALA 16 1HB ALA 16 9.919 -2.815 5.292 79 HB3 ALA 16 2HB ALA 16 11.021 -3.624 6.407 80 H LEU 17 H LEU 17 11.092 -3.049 2.069 81 HA LEU 17 HA LEU 17 12.088 -0.292 1.758 82 HB2 LEU 17 1HB LEU 17 13.433 -1.651 0.389 83 HB3 LEU 17 2HB LEU 17 12.053 -2.600 -0.162 84 HG LEU 17 HG LEU 17 13.113 -0.978 -1.820 85 HD11 LEU 17 1HD1 LEU 17 10.244 -0.300 -1.569 86 HD12 LEU 17 2HD1 LEU 17 10.661 -2.010 -1.679 87 HD13 LEU 17 3HD1 LEU 17 11.155 -0.898 -2.956 88 HD21 LEU 17 3HD2 LEU 17 12.879 0.833 0.179 89 HD22 LEU 17 1HD2 LEU 17 11.422 1.176 -0.755 90 HD23 LEU 17 2HD2 LEU 17 13.004 1.249 -1.531 91 H ARG 18 H ARG 18 10.600 1.196 1.340 92 HA ARG 18 HA ARG 18 7.870 0.386 0.813 93 HB2 ARG 18 1HB ARG 18 9.038 3.155 1.152 94 HB3 ARG 18 2HB ARG 18 7.327 2.750 1.129 95 HG2 ARG 18 1HG ARG 18 9.243 1.651 3.166 96 HG3 ARG 18 2HG ARG 18 8.334 3.146 3.395 97 HD2 ARG 18 1HD ARG 18 6.902 0.639 2.629 98 HD3 ARG 18 2HD ARG 18 7.398 0.883 4.303 99 HE ARG 18 HE ARG 18 5.922 3.071 3.116 100 HH11 ARG 18 2HH1 ARG 18 5.789 0.135 4.982 101 HH12 ARG 18 1HH1 ARG 18 4.263 0.513 5.711 102 HH21 ARG 18 1HH2 ARG 18 3.197 2.472 5.190 103 HH22 ARG 18 2HH2 ARG 18 3.913 3.580 4.069 104 H GLU 19 H GLU 19 6.807 0.547 -1.075 105 HA GLU 19 HA GLU 19 8.291 1.657 -3.363 106 HB2 GLU 19 1HB GLU 19 6.071 -0.392 -3.417 107 HB3 GLU 19 2HB GLU 19 7.050 0.132 -4.780 108 HG2 GLU 19 1HG GLU 19 9.023 -0.713 -3.263 109 HG3 GLU 19 2HG GLU 19 7.743 -1.677 -2.528 110 H THR 20 H THR 20 7.135 2.830 -4.964 111 HA THR 20 HA THR 20 4.582 3.962 -4.019 112 HB THR 20 HB THR 20 5.179 6.124 -4.764 113 HG1 THR 20 1HG THR 20 7.692 5.314 -5.738 114 HG21 THR 20 3HG2 THR 20 7.365 6.564 -3.607 115 HG22 THR 20 1HG2 THR 20 7.532 4.822 -3.398 116 HG23 THR 20 2HG2 THR 20 6.186 5.675 -2.643 117 H GLY 21 H GLY 21 3.037 4.499 -5.589 118 HA2 GLY 21 1HA GLY 21 3.610 3.879 -8.379 119 HA3 GLY 21 2HA GLY 21 2.427 2.850 -7.583 120 H VAL 22 H VAL 22 0.498 3.406 -8.361 121 HA VAL 22 HA VAL 22 -0.494 6.074 -7.879 122 HB VAL 22 HB VAL 22 0.639 6.105 -10.178 123 HG11 VAL 22 1HG1 VAL 22 -0.475 3.820 -10.713 124 HG12 VAL 22 2HG1 VAL 22 -1.868 4.807 -11.161 125 HG13 VAL 22 3HG1 VAL 22 -0.325 5.032 -11.985 126 HG21 VAL 22 3HG2 VAL 22 -1.333 7.356 -11.179 127 HG22 VAL 22 1HG2 VAL 22 -2.222 6.907 -9.724 128 HG23 VAL 22 2HG2 VAL 22 -0.772 7.903 -9.600 129 H ILE 23 H ILE 23 -2.584 5.994 -7.335 130 HA ILE 23 HA ILE 23 -3.951 3.559 -7.075 131 HB ILE 23 HB ILE 23 -5.250 6.280 -7.153 132 HG12 ILE 23 1HG1 ILE 23 -3.327 6.356 -5.645 133 HG13 ILE 23 2HG1 ILE 23 -4.828 6.383 -4.726 134 HG21 ILE 23 1HG2 ILE 23 -6.878 4.556 -7.117 135 HG22 ILE 23 2HG2 ILE 23 -5.989 3.651 -5.893 136 HG23 ILE 23 3HG2 ILE 23 -6.764 5.178 -5.470 137 HD11 ILE 23 3HD1 ILE 23 -2.737 4.293 -4.895 138 HD12 ILE 23 1HD1 ILE 23 -3.657 4.872 -3.506 139 HD13 ILE 23 2HD1 ILE 23 -4.408 3.776 -4.666 140 H GLU 24 H GLU 24 -4.095 2.467 -9.021 141 HA GLU 24 HA GLU 24 -5.105 3.654 -11.404 142 HB2 GLU 24 1HB GLU 24 -3.615 1.589 -11.206 143 HB3 GLU 24 2HB GLU 24 -5.076 0.705 -10.787 144 HG2 GLU 24 1HG GLU 24 -4.424 0.534 -13.174 145 HG3 GLU 24 2HG GLU 24 -6.052 1.155 -12.910 146 H LYS 25 H LYS 25 -6.519 1.666 -8.848 147 HA LYS 25 HA LYS 25 -9.172 2.554 -9.682 148 HB2 LYS 25 1HB LYS 25 -8.402 0.154 -10.569 149 HB3 LYS 25 2HB LYS 25 -8.935 -0.323 -8.962 150 HG2 LYS 25 1HG LYS 25 -10.766 1.388 -10.535 151 HG3 LYS 25 2HG LYS 25 -10.559 -0.283 -11.065 152 HD2 LYS 25 1HD LYS 25 -11.199 -1.093 -8.875 153 HD3 LYS 25 2HD LYS 25 -11.299 0.559 -8.263 154 HE2 LYS 25 1HE LYS 25 -12.987 -0.543 -10.505 155 HE3 LYS 25 2HE LYS 25 -13.505 -0.442 -8.823 156 HZ1 LYS 25 3HZ LYS 25 -14.245 1.428 -10.279 157 HZ2 LYS 25 1HZ LYS 25 -12.628 1.914 -10.395 158 HZ3 LYS 25 2HZ LYS 25 -13.403 1.908 -8.892 159 H LEU 26 H LEU 26 -10.764 2.410 -8.026 160 HA LEU 26 HA LEU 26 -9.868 1.629 -5.365 161 HB2 LEU 26 1HB LEU 26 -9.379 4.114 -5.886 162 HB3 LEU 26 2HB LEU 26 -11.122 4.324 -5.727 163 HG LEU 26 HG LEU 26 -10.681 3.108 -3.411 164 HD11 LEU 26 1HD1 LEU 26 -8.369 2.694 -3.583 165 HD12 LEU 26 2HD1 LEU 26 -8.528 4.063 -2.484 166 HD13 LEU 26 3HD1 LEU 26 -8.038 4.328 -4.158 167 HD21 LEU 26 3HD2 LEU 26 -11.660 5.102 -3.065 168 HD22 LEU 26 1HD2 LEU 26 -10.677 5.914 -4.284 169 HD23 LEU 26 2HD2 LEU 26 -10.023 5.629 -2.671 170 H LEU 27 H LEU 27 -11.480 0.850 -4.107 171 HA LEU 27 HA LEU 27 -14.247 1.223 -5.033 172 HB2 LEU 27 1HB LEU 27 -13.150 -1.361 -3.947 173 HB3 LEU 27 2HB LEU 27 -14.752 -1.078 -4.624 174 HG LEU 27 HG LEU 27 -13.415 -0.508 -6.798 175 HD11 LEU 27 1HD1 LEU 27 -11.462 -2.266 -5.319 176 HD12 LEU 27 2HD1 LEU 27 -11.206 -0.579 -5.767 177 HD13 LEU 27 3HD1 LEU 27 -11.364 -1.810 -7.020 178 HD21 LEU 27 3HD2 LEU 27 -13.743 -3.329 -5.780 179 HD22 LEU 27 1HD2 LEU 27 -13.554 -2.858 -7.469 180 HD23 LEU 27 2HD2 LEU 27 -14.985 -2.355 -6.568 181 H THR 28 H THR 28 -15.669 -0.012 -3.162 182 HA THR 28 HA THR 28 -15.321 1.678 -0.865 183 HB THR 28 HB THR 28 -17.343 -0.503 -1.413 184 HG1 THR 28 1HG THR 28 -18.219 1.028 -2.570 185 HG21 THR 28 3HG2 THR 28 -18.622 0.660 0.429 186 HG22 THR 28 1HG2 THR 28 -17.122 1.493 0.836 187 HG23 THR 28 2HG2 THR 28 -17.214 -0.264 0.950 188 H SER 29 H SER 29 -14.736 -1.675 -1.655 189 HA SER 29 HA SER 29 -14.197 -2.376 1.115 190 HB2 SER 29 1HB SER 29 -15.268 -3.866 -0.801 191 HB3 SER 29 2HB SER 29 -13.577 -4.231 -1.143 192 HG SER 29 HG SER 29 -14.959 -5.472 0.562 193 H TYR 30 H TYR 30 -12.440 -2.050 -1.944 194 HA TYR 30 HA TYR 30 -10.033 -1.321 -0.566 195 HB2 TYR 30 1HB TYR 30 -8.729 -3.211 -1.767 196 HB3 TYR 30 2HB TYR 30 -9.582 -3.592 -0.276 197 HD1 TYR 30 1HD TYR 30 -11.253 -3.122 -3.529 198 HD2 TYR 30 2HD TYR 30 -9.824 -5.936 -0.676 199 HE1 TYR 30 1HE TYR 30 -12.476 -4.912 -4.691 200 HE2 TYR 30 2HE TYR 30 -11.041 -7.734 -1.832 201 HH TYR 30 HH TYR 30 -13.349 -7.594 -3.532 202 H GLY 31 H GLY 31 -8.145 -1.385 -2.365 203 HA2 GLY 31 1HA GLY 31 -9.239 -0.556 -4.956 204 HA3 GLY 31 2HA GLY 31 -8.282 0.610 -4.055 205 H PHE 32 H PHE 32 -7.507 -0.128 -6.569 206 HA PHE 32 HA PHE 32 -5.263 -1.977 -6.120 207 HB2 PHE 32 1HB PHE 32 -6.573 -1.118 -8.708 208 HB3 PHE 32 2HB PHE 32 -5.185 -2.194 -8.590 209 HD1 PHE 32 2HD PHE 32 -8.711 -1.850 -7.459 210 HD2 PHE 32 1HD PHE 32 -5.507 -4.478 -8.434 211 HE1 PHE 32 2HE PHE 32 -10.228 -3.775 -7.242 212 HE2 PHE 32 1HE PHE 32 -7.020 -6.407 -8.219 213 HZ PHE 32 HZ PHE 32 -9.383 -6.057 -7.620 214 H ILE 33 H ILE 33 -3.180 -1.411 -6.816 215 HA ILE 33 HA ILE 33 -2.792 1.444 -7.432 216 HB ILE 33 HB ILE 33 -1.116 -0.246 -5.572 217 HG12 ILE 33 1HG1 ILE 33 -2.490 2.319 -4.846 218 HG13 ILE 33 2HG1 ILE 33 -3.401 0.813 -4.852 219 HG21 ILE 33 1HG2 ILE 33 -0.315 2.394 -5.344 220 HG22 ILE 33 2HG2 ILE 33 0.564 1.095 -6.150 221 HG23 ILE 33 3HG2 ILE 33 -0.501 2.149 -7.081 222 HD11 ILE 33 3HD1 ILE 33 -2.723 0.973 -2.663 223 HD12 ILE 33 1HD1 ILE 33 -1.472 -0.057 -3.357 224 HD13 ILE 33 2HD1 ILE 33 -1.154 1.657 -3.087 225 H GLN 34 H GLN 34 -1.892 1.672 -9.361 226 HA GLN 34 HA GLN 34 -0.445 -0.519 -10.586 227 HB2 GLN 34 1HB GLN 34 -2.007 0.676 -11.977 228 HB3 GLN 34 2HB GLN 34 -1.239 2.212 -11.601 229 HG2 GLN 34 1HG GLN 34 -0.270 1.872 -13.602 230 HG3 GLN 34 2HG GLN 34 0.863 0.931 -12.633 231 HE21 GLN 34 2HE2 GLN 34 -0.102 -2.177 -13.922 232 HE22 GLN 34 1HE2 GLN 34 0.690 -1.340 -12.634 233 H CYS 35 H CYS 35 1.478 -0.665 -9.445 234 HA CYS 35 HA CYS 35 3.167 1.247 -8.538 235 HB2 CYS 35 1HB CYS 35 4.190 -1.151 -10.058 236 HB3 CYS 35 2HB CYS 35 4.956 -0.322 -8.707 237 HG CYS 35 HG CYS 35 2.817 -2.837 -8.682 238 H SER 36 H SER 36 4.836 2.515 -9.330 239 HA SER 36 HA SER 36 4.704 3.037 -12.217 240 HB2 SER 36 1HB SER 36 5.562 4.760 -9.889 241 HB3 SER 36 2HB SER 36 5.837 5.219 -11.569 242 HG SER 36 HG SER 36 3.299 4.601 -10.460 243 H GLU 37 H GLU 37 6.562 1.405 -10.041 244 HA GLU 37 HA GLU 37 9.072 1.957 -11.469 245 HB2 GLU 37 1HB GLU 37 8.795 0.401 -8.903 246 HB3 GLU 37 2HB GLU 37 10.251 1.110 -9.587 247 HG2 GLU 37 1HG GLU 37 8.902 3.346 -9.303 248 HG3 GLU 37 2HG GLU 37 8.029 2.402 -8.097 249 H ARG 38 H ARG 38 6.942 -0.647 -10.385 250 HA ARG 38 HA ARG 38 8.446 -2.550 -12.036 251 HB2 ARG 38 1HB ARG 38 7.382 -4.301 -10.802 252 HB3 ARG 38 2HB ARG 38 7.958 -3.111 -9.642 253 HG2 ARG 38 1HG ARG 38 5.752 -2.251 -9.324 254 HG3 ARG 38 2HG ARG 38 5.125 -3.241 -10.643 255 HD2 ARG 38 1HD ARG 38 4.594 -4.175 -8.427 256 HD3 ARG 38 2HD ARG 38 5.591 -5.260 -9.396 257 HE ARG 38 HE ARG 38 7.144 -3.588 -7.672 258 HH11 ARG 38 2HH1 ARG 38 5.247 -6.503 -7.820 259 HH12 ARG 38 1HH1 ARG 38 6.059 -7.255 -6.487 260 HH21 ARG 38 1HH2 ARG 38 7.751 -6.152 -5.404 261 HH22 ARG 38 2HH2 ARG 38 8.221 -4.567 -5.916 262 H GLN 39 H GLN 39 5.887 -0.508 -12.321 263 HA GLN 39 HA GLN 39 4.021 -0.393 -13.632 264 HB2 GLN 39 1HB GLN 39 4.333 -1.144 -15.915 265 HB3 GLN 39 2HB GLN 39 5.828 -0.436 -15.317 266 HG2 GLN 39 1HG GLN 39 6.862 -2.533 -15.106 267 HG3 GLN 39 2HG GLN 39 5.332 -3.393 -15.267 268 HE21 GLN 39 2HE2 GLN 39 7.556 -2.600 -18.476 269 HE22 GLN 39 1HE2 GLN 39 8.079 -2.361 -16.847 270 H ALA 40 H ALA 40 3.720 -2.275 -11.632 271 HA ALA 40 HA ALA 40 2.163 -4.377 -12.994 272 HB1 ALA 40 3HB ALA 40 3.491 -4.630 -10.300 273 HB2 ALA 40 1HB ALA 40 2.645 -5.892 -11.195 274 HB3 ALA 40 2HB ALA 40 4.166 -5.244 -11.809 275 H ARG 41 H ARG 41 0.071 -4.605 -12.429 276 HA ARG 41 HA ARG 41 -1.151 -2.565 -10.841 277 HB2 ARG 41 1HB ARG 41 -2.089 -4.865 -12.476 278 HB3 ARG 41 2HB ARG 41 -3.182 -4.256 -11.240 279 HG2 ARG 41 1HG ARG 41 -3.476 -2.243 -12.293 280 HG3 ARG 41 2HG ARG 41 -1.917 -2.323 -13.116 281 HD2 ARG 41 1HD ARG 41 -4.240 -4.135 -13.747 282 HD3 ARG 41 2HD ARG 41 -3.923 -2.621 -14.594 283 HE ARG 41 HE ARG 41 -1.582 -4.078 -14.718 284 HH11 ARG 41 2HH1 ARG 41 -4.880 -4.458 -15.766 285 HH12 ARG 41 1HH1 ARG 41 -4.468 -5.430 -17.140 286 HH21 ARG 41 1HH2 ARG 41 -2.277 -5.941 -17.570 287 HH22 ARG 41 2HH2 ARG 41 -1.027 -5.356 -16.524 288 H LEU 42 H LEU 42 -0.635 -2.683 -8.710 289 HA LEU 42 HA LEU 42 -0.742 -5.209 -7.295 290 HB2 LEU 42 1HB LEU 42 0.108 -2.433 -6.662 291 HB3 LEU 42 2HB LEU 42 -0.366 -3.476 -5.323 292 HG LEU 42 HG LEU 42 1.899 -3.903 -7.264 293 HD11 LEU 42 1HD1 LEU 42 2.416 -4.036 -4.406 294 HD12 LEU 42 2HD1 LEU 42 1.790 -2.469 -4.918 295 HD13 LEU 42 3HD1 LEU 42 3.245 -3.125 -5.669 296 HD21 LEU 42 3HD2 LEU 42 0.512 -5.777 -5.418 297 HD22 LEU 42 1HD2 LEU 42 2.268 -5.878 -5.554 298 HD23 LEU 42 2HD2 LEU 42 1.260 -6.079 -6.987 299 H PHE 43 H PHE 43 -1.991 -5.409 -5.274 300 HA PHE 43 HA PHE 43 -4.567 -3.987 -5.442 301 HB2 PHE 43 1HB PHE 43 -5.292 -6.076 -6.025 302 HB3 PHE 43 2HB PHE 43 -3.958 -6.883 -5.208 303 HD1 PHE 43 2HD PHE 43 -6.464 -4.486 -3.867 304 HD2 PHE 43 1HD PHE 43 -4.947 -8.463 -3.837 305 HE1 PHE 43 2HE PHE 43 -7.954 -5.037 -1.988 306 HE2 PHE 43 1HE PHE 43 -6.436 -9.021 -1.959 307 HZ PHE 43 HZ PHE 43 -7.941 -7.306 -1.031 308 H PHE 44 H PHE 44 -4.674 -2.625 -3.784 309 HA PHE 44 HA PHE 44 -3.541 -3.438 -1.199 310 HB2 PHE 44 1HB PHE 44 -3.104 -1.230 -0.734 311 HB3 PHE 44 2HB PHE 44 -2.987 -1.191 -2.490 312 HD1 PHE 44 1HD PHE 44 -4.776 -0.206 -3.832 313 HD2 PHE 44 2HD PHE 44 -4.888 -0.137 0.422 314 HE1 PHE 44 1HE PHE 44 -6.515 1.533 -3.910 315 HE2 PHE 44 2HE PHE 44 -6.628 1.601 0.352 316 HZ PHE 44 HZ PHE 44 -7.444 2.438 -1.816 317 H HIS 45 H HIS 45 -4.764 -3.502 0.637 318 HA HIS 45 HA HIS 45 -7.657 -3.470 0.243 319 HB2 HIS 45 1HB HIS 45 -6.115 -5.288 1.490 320 HB3 HIS 45 2HB HIS 45 -6.501 -4.253 2.862 321 HD1 HIS 45 1HD HIS 45 -9.401 -3.603 2.408 322 HD2 HIS 45 2HD HIS 45 -7.811 -7.379 1.721 323 HE1 HIS 45 1HE HIS 45 -11.349 -5.188 2.546 324 HE2 HIS 45 2HE HIS 45 -10.348 -7.476 2.212 325 H CYS 46 H CYS 46 -9.053 -2.164 1.355 326 HA CYS 46 HA CYS 46 -8.289 0.389 2.061 327 HB2 CYS 46 1HB CYS 46 -10.486 0.736 2.793 328 HB3 CYS 46 2HB CYS 46 -10.645 -0.573 1.628 329 HG CYS 46 HG CYS 46 -10.206 -1.544 4.816 330 H SER 47 H SER 47 -7.975 -2.499 3.867 331 HA SER 47 HA SER 47 -7.913 -1.295 6.467 332 HB2 SER 47 1HB SER 47 -8.510 -3.653 6.209 333 HB3 SER 47 2HB SER 47 -6.922 -3.996 5.523 334 HG SER 47 HG SER 47 -6.405 -4.369 7.527 335 H GLN 48 H GLN 48 -5.564 -2.066 3.990 336 HA GLN 48 HA GLN 48 -3.221 -1.834 5.511 337 HB2 GLN 48 1HB GLN 48 -3.543 -1.064 2.609 338 HB3 GLN 48 2HB GLN 48 -2.062 -1.558 3.418 339 HG2 GLN 48 1HG GLN 48 -4.466 -3.271 2.841 340 HG3 GLN 48 2HG GLN 48 -2.880 -3.368 2.077 341 HE21 GLN 48 2HE2 GLN 48 -3.327 -5.938 4.788 342 HE22 GLN 48 1HE2 GLN 48 -4.320 -5.441 3.465 343 H TYR 49 H TYR 49 -4.910 0.605 3.541 344 HA TYR 49 HA TYR 49 -3.227 2.754 3.993 345 HB2 TYR 49 1HB TYR 49 -5.146 2.723 2.400 346 HB3 TYR 49 2HB TYR 49 -6.241 2.883 3.769 347 HD1 TYR 49 2HD TYR 49 -3.024 4.589 2.927 348 HD2 TYR 49 1HD TYR 49 -7.186 4.991 3.713 349 HE1 TYR 49 2HE TYR 49 -2.805 7.036 2.810 350 HE2 TYR 49 1HE TYR 49 -6.978 7.439 3.597 351 HH TYR 49 HH TYR 49 -4.834 9.125 4.013 352 H ASN 50 H ASN 50 -2.782 4.026 5.678 353 HA ASN 50 HA ASN 50 -3.936 3.423 8.244 354 HB2 ASN 50 1HB ASN 50 -2.252 4.804 9.166 355 HB3 ASN 50 2HB ASN 50 -1.490 4.012 7.789 356 HD21 ASN 50 2HD2 ASN 50 -1.667 7.993 8.009 357 HD22 ASN 50 1HD2 ASN 50 -2.140 6.933 9.289 358 H GLY 51 H GLY 51 -3.878 6.235 6.072 359 HA2 GLY 51 1HA GLY 51 -5.397 7.950 7.712 360 HA3 GLY 51 2HA GLY 51 -5.210 8.101 5.971 361 H ASN 52 H ASN 52 -7.263 8.548 5.363 362 HA ASN 52 HA ASN 52 -9.290 6.502 5.983 363 HB2 ASN 52 1HB ASN 52 -9.482 9.487 6.038 364 HB3 ASN 52 2HB ASN 52 -10.903 8.552 5.580 365 HD21 ASN 52 2HD2 ASN 52 -11.765 7.864 8.835 366 HD22 ASN 52 1HD2 ASN 52 -12.202 8.031 7.171 367 H LEU 53 H LEU 53 -9.614 5.366 4.188 368 HA LEU 53 HA LEU 53 -8.911 5.749 1.649 369 HB2 LEU 53 1HB LEU 53 -11.285 4.470 2.866 370 HB3 LEU 53 2HB LEU 53 -11.333 4.733 1.124 371 HG LEU 53 HG LEU 53 -10.578 2.478 1.677 372 HD11 LEU 53 1HD1 LEU 53 -8.037 3.270 0.697 373 HD12 LEU 53 2HD1 LEU 53 -9.251 4.344 0.004 374 HD13 LEU 53 3HD1 LEU 53 -9.402 2.599 -0.195 375 HD21 LEU 53 3HD2 LEU 53 -9.379 3.517 3.830 376 HD22 LEU 53 1HD2 LEU 53 -7.993 3.442 2.742 377 HD23 LEU 53 2HD2 LEU 53 -8.901 1.977 3.115 378 H GLN 54 H GLN 54 -11.692 7.291 3.175 379 HA GLN 54 HA GLN 54 -13.002 8.410 1.061 380 HB2 GLN 54 1HB GLN 54 -12.432 9.427 3.822 381 HB3 GLN 54 2HB GLN 54 -13.295 10.444 2.676 382 HG2 GLN 54 1HG GLN 54 -14.125 7.779 3.778 383 HG3 GLN 54 2HG GLN 54 -14.929 9.337 3.962 384 HE21 GLN 54 2HE2 GLN 54 -16.115 9.304 0.536 385 HE22 GLN 54 1HE2 GLN 54 -15.271 10.355 1.616 386 H ASP 55 H ASP 55 -10.157 9.784 2.699 387 HA ASP 55 HA ASP 55 -9.920 12.042 1.027 388 HB2 ASP 55 1HB ASP 55 -8.831 11.709 3.286 389 HB3 ASP 55 2HB ASP 55 -7.655 10.673 2.481 390 H LEU 56 H LEU 56 -8.613 8.780 0.821 391 HA LEU 56 HA LEU 56 -6.804 9.233 -1.290 392 HB2 LEU 56 1HB LEU 56 -7.194 7.175 0.303 393 HB3 LEU 56 2HB LEU 56 -8.223 6.627 -1.018 394 HG LEU 56 HG LEU 56 -6.316 6.675 -2.539 395 HD11 LEU 56 1HD1 LEU 56 -4.689 8.118 -2.039 396 HD12 LEU 56 2HD1 LEU 56 -4.074 6.852 -0.976 397 HD13 LEU 56 3HD1 LEU 56 -5.099 8.130 -0.323 398 HD21 LEU 56 3HD2 LEU 56 -6.810 4.832 -0.578 399 HD22 LEU 56 1HD2 LEU 56 -5.092 5.168 -0.355 400 HD23 LEU 56 2HD2 LEU 56 -5.687 4.618 -1.922 401 H LYS 57 H LYS 57 -6.987 8.602 -3.517 402 HA LYS 57 HA LYS 57 -9.591 8.130 -4.653 403 HB2 LYS 57 1HB LYS 57 -9.357 10.190 -6.165 404 HB3 LYS 57 2HB LYS 57 -9.910 10.450 -4.516 405 HG2 LYS 57 1HG LYS 57 -7.724 11.202 -3.848 406 HG3 LYS 57 2HG LYS 57 -7.068 10.812 -5.440 407 HD2 LYS 57 1HD LYS 57 -8.165 12.583 -6.465 408 HD3 LYS 57 2HD LYS 57 -9.366 12.713 -5.178 409 HE2 LYS 57 1HE LYS 57 -7.920 13.844 -3.768 410 HE3 LYS 57 2HE LYS 57 -6.483 13.237 -4.588 411 HZ1 LYS 57 3HZ LYS 57 -6.763 15.534 -5.118 412 HZ2 LYS 57 1HZ LYS 57 -8.368 15.296 -5.595 413 HZ3 LYS 57 2HZ LYS 57 -7.108 14.636 -6.510 414 H VAL 58 H VAL 58 -9.482 7.901 -7.037 415 HA VAL 58 HA VAL 58 -7.142 6.423 -7.772 416 HB VAL 58 HB VAL 58 -9.626 7.171 -9.310 417 HG11 VAL 58 1HG1 VAL 58 -8.609 6.650 -11.212 418 HG12 VAL 58 2HG1 VAL 58 -7.098 6.365 -10.347 419 HG13 VAL 58 3HG1 VAL 58 -8.248 5.047 -10.573 420 HG21 VAL 58 3HG2 VAL 58 -10.141 4.790 -9.100 421 HG22 VAL 58 1HG2 VAL 58 -8.645 4.542 -8.200 422 HG23 VAL 58 2HG2 VAL 58 -9.930 5.538 -7.517 423 H GLY 59 H GLY 59 -5.403 7.088 -8.867 424 HA2 GLY 59 1HA GLY 59 -4.324 8.320 -10.599 425 HA3 GLY 59 2HA GLY 59 -5.581 9.541 -10.471 426 H ASP 60 H ASP 60 -4.259 8.354 -7.531 427 HA ASP 60 HA ASP 60 -2.629 10.797 -7.283 428 HB2 ASP 60 1HB ASP 60 -4.604 9.557 -5.428 429 HB3 ASP 60 2HB ASP 60 -3.184 10.322 -4.720 430 H ASP 61 H ASP 61 -0.760 10.659 -5.923 431 HA ASP 61 HA ASP 61 0.570 8.106 -6.163 432 HB2 ASP 61 1HB ASP 61 1.409 10.876 -5.388 433 HB3 ASP 61 2HB ASP 61 2.448 9.512 -4.986 434 H VAL 62 H VAL 62 1.256 6.786 -4.518 435 HA VAL 62 HA VAL 62 0.826 7.533 -1.752 436 HB VAL 62 HB VAL 62 -0.456 5.277 -1.444 437 HG11 VAL 62 1HG1 VAL 62 -2.449 7.024 -2.523 438 HG12 VAL 62 2HG1 VAL 62 -2.067 6.678 -0.835 439 HG13 VAL 62 3HG1 VAL 62 -1.222 7.973 -1.685 440 HG21 VAL 62 3HG2 VAL 62 -1.566 5.944 -4.136 441 HG22 VAL 62 1HG2 VAL 62 -0.156 4.893 -4.006 442 HG23 VAL 62 2HG2 VAL 62 -1.669 4.441 -3.220 443 H GLU 63 H GLU 63 2.050 6.347 -0.325 444 HA GLU 63 HA GLU 63 3.983 4.521 -1.558 445 HB2 GLU 63 1HB GLU 63 4.675 6.576 -0.184 446 HB3 GLU 63 2HB GLU 63 4.152 5.661 1.223 447 HG2 GLU 63 1HG GLU 63 5.742 3.830 0.160 448 HG3 GLU 63 2HG GLU 63 6.499 5.261 -0.538 449 H PHE 64 H PHE 64 4.120 2.418 -1.029 450 HA PHE 64 HA PHE 64 2.710 1.427 1.330 451 HB2 PHE 64 1HB PHE 64 1.752 -0.447 -0.095 452 HB3 PHE 64 2HB PHE 64 1.013 1.137 -0.305 453 HD1 PHE 64 2HD PHE 64 3.143 -1.417 -1.832 454 HD2 PHE 64 1HD PHE 64 1.259 2.363 -2.359 455 HE1 PHE 64 2HE PHE 64 3.572 -1.544 -4.252 456 HE2 PHE 64 1HE PHE 64 1.684 2.241 -4.780 457 HZ PHE 64 HZ PHE 64 2.843 0.287 -5.729 458 H GLU 65 H GLU 65 3.106 -1.064 1.478 459 HA GLU 65 HA GLU 65 5.913 -1.581 0.743 460 HB2 GLU 65 1HB GLU 65 6.006 -1.295 3.057 461 HB3 GLU 65 2HB GLU 65 4.444 -2.061 3.313 462 HG2 GLU 65 1HG GLU 65 6.076 -3.555 4.126 463 HG3 GLU 65 2HG GLU 65 5.496 -4.222 2.600 464 H VAL 66 H VAL 66 6.135 -3.225 -0.607 465 HA VAL 66 HA VAL 66 3.984 -4.998 -1.217 466 HB VAL 66 HB VAL 66 6.883 -5.094 -2.061 467 HG11 VAL 66 1HG1 VAL 66 6.328 -7.207 -2.621 468 HG12 VAL 66 2HG1 VAL 66 4.595 -6.876 -2.587 469 HG13 VAL 66 3HG1 VAL 66 5.554 -6.417 -3.995 470 HG21 VAL 66 3HG2 VAL 66 4.911 -3.276 -2.745 471 HG22 VAL 66 1HG2 VAL 66 6.398 -3.594 -3.639 472 HG23 VAL 66 2HG2 VAL 66 4.908 -4.428 -4.080 473 H SER 67 H SER 67 3.488 -6.885 -0.317 474 HA SER 67 HA SER 67 5.566 -8.359 1.146 475 HB2 SER 67 1HB SER 67 3.827 -6.943 2.561 476 HB3 SER 67 2HB SER 67 2.789 -8.335 2.250 477 HG SER 67 HG SER 67 3.816 -8.996 4.003 478 H SER 68 H SER 68 4.561 -10.601 1.819 479 HA SER 68 HA SER 68 3.231 -11.679 -0.580 480 HB2 SER 68 1HB SER 68 4.358 -13.848 0.046 481 HB3 SER 68 2HB SER 68 5.459 -12.560 -0.442 482 HG SER 68 HG SER 68 4.839 -13.330 2.220 483 H ASP 69 H ASP 69 1.146 -11.982 -0.132 484 HA ASP 69 HA ASP 69 -0.073 -12.221 2.317 485 HB2 ASP 69 1HB ASP 69 -1.170 -11.945 0.041 486 HB3 ASP 69 2HB ASP 69 -1.034 -13.692 -0.136 487 H ARG 70 H ARG 70 -1.277 -14.195 3.144 488 HA ARG 70 HA ARG 70 0.617 -16.441 3.257 489 HB2 ARG 70 1HB ARG 70 -1.543 -15.597 5.198 490 HB3 ARG 70 2HB ARG 70 -0.531 -17.023 5.385 491 HG2 ARG 70 1HG ARG 70 0.636 -15.584 6.688 492 HG3 ARG 70 2HG ARG 70 1.399 -15.224 5.138 493 HD2 ARG 70 1HD ARG 70 -1.038 -13.689 5.786 494 HD3 ARG 70 2HD ARG 70 0.382 -13.346 6.772 495 HE ARG 70 HE ARG 70 0.958 -13.358 3.969 496 HH11 ARG 70 2HH1 ARG 70 -0.293 -11.441 6.593 497 HH12 ARG 70 1HH1 ARG 70 0.103 -9.928 5.849 498 HH21 ARG 70 1HH2 ARG 70 1.112 -9.889 3.792 499 HH22 ARG 70 2HH2 ARG 70 1.483 -11.371 2.979 500 H ARG 71 H ARG 71 -2.465 -15.526 2.143 501 HA ARG 71 HA ARG 71 -3.467 -18.269 2.085 502 HB2 ARG 71 1HB ARG 71 -4.795 -15.713 1.165 503 HB3 ARG 71 2HB ARG 71 -5.560 -17.291 1.298 504 HG2 ARG 71 1HG ARG 71 -4.306 -16.026 3.696 505 HG3 ARG 71 2HG ARG 71 -5.914 -15.533 3.162 506 HD2 ARG 71 1HD ARG 71 -6.722 -17.796 3.364 507 HD3 ARG 71 2HD ARG 71 -5.102 -18.377 3.745 508 HE ARG 71 HE ARG 71 -6.968 -17.247 5.559 509 HH11 ARG 71 2HH1 ARG 71 -3.565 -17.405 4.838 510 HH12 ARG 71 1HH1 ARG 71 -3.073 -17.134 6.476 511 HH21 ARG 71 1HH2 ARG 71 -4.647 -16.842 8.115 512 HH22 ARG 71 2HH2 ARG 71 -6.331 -16.889 7.720 513 H THR 72 H THR 72 -2.901 -15.588 -0.193 514 HA THR 72 HA THR 72 -2.905 -17.516 -2.403 515 HB THR 72 HB THR 72 -3.104 -15.624 -3.900 516 HG1 THR 72 1HG THR 72 -3.421 -13.495 -2.694 517 HG21 THR 72 3HG2 THR 72 -4.970 -15.541 -1.535 518 HG22 THR 72 1HG2 THR 72 -5.203 -16.374 -3.072 519 HG23 THR 72 2HG2 THR 72 -5.242 -14.611 -3.009 520 H GLY 73 H GLY 73 -0.811 -15.538 -0.518 521 HA2 GLY 73 1HA GLY 73 1.477 -15.331 -0.517 522 HA3 GLY 73 2HA GLY 73 1.523 -16.672 -1.651 523 H LYS 74 H LYS 74 -0.392 -14.017 -2.620 524 HA LYS 74 HA LYS 74 1.496 -13.409 -4.741 525 HB2 LYS 74 1HB LYS 74 -1.325 -12.465 -4.207 526 HB3 LYS 74 2HB LYS 74 -0.368 -11.962 -5.594 527 HG2 LYS 74 1HG LYS 74 -0.153 -14.592 -5.905 528 HG3 LYS 74 2HG LYS 74 -1.686 -14.552 -5.032 529 HD2 LYS 74 1HD LYS 74 -1.327 -12.659 -7.294 530 HD3 LYS 74 2HD LYS 74 -1.563 -14.366 -7.678 531 HE2 LYS 74 1HE LYS 74 -3.565 -14.238 -6.073 532 HE3 LYS 74 2HE LYS 74 -3.402 -12.489 -6.226 533 HZ1 LYS 74 3HZ LYS 74 -3.364 -13.787 -8.766 534 HZ2 LYS 74 1HZ LYS 74 -4.358 -12.534 -8.214 535 HZ3 LYS 74 2HZ LYS 74 -4.780 -14.144 -7.912 536 HA PRO 75 HA PRO 75 3.127 -9.699 -3.053 537 HB2 PRO 75 2HB PRO 75 4.481 -9.591 -4.906 538 HB3 PRO 75 1HB PRO 75 3.461 -8.201 -5.292 539 HG2 PRO 75 1HG PRO 75 2.143 -9.417 -6.767 540 HG3 PRO 75 2HG PRO 75 3.701 -10.231 -7.001 541 HD2 PRO 75 1HD PRO 75 1.453 -11.564 -6.296 542 HD3 PRO 75 2HD PRO 75 3.069 -12.070 -5.764 543 H ILE 76 H ILE 76 1.554 -8.747 -1.805 544 HA ILE 76 HA ILE 76 -0.293 -6.911 -3.186 545 HB ILE 76 HB ILE 76 -1.780 -7.088 -1.253 546 HG12 ILE 76 1HG1 ILE 76 -0.236 -9.409 -0.185 547 HG13 ILE 76 2HG1 ILE 76 0.314 -7.788 0.222 548 HG21 ILE 76 1HG2 ILE 76 -2.407 -9.517 -1.549 549 HG22 ILE 76 2HG2 ILE 76 -2.284 -8.565 -3.028 550 HG23 ILE 76 3HG2 ILE 76 -0.983 -9.667 -2.578 551 HD11 ILE 76 3HD1 ILE 76 -1.572 -9.241 1.575 552 HD12 ILE 76 1HD1 ILE 76 -1.322 -7.500 1.698 553 HD13 ILE 76 2HD1 ILE 76 -2.545 -8.140 0.600 554 H ALA 77 H ALA 77 -0.891 -4.965 -1.917 555 HA ALA 77 HA ALA 77 1.509 -3.799 -0.741 556 HB1 ALA 77 3HB ALA 77 -0.684 -1.963 -0.876 557 HB2 ALA 77 1HB ALA 77 0.848 -1.938 -1.749 558 HB3 ALA 77 2HB ALA 77 -0.529 -2.821 -2.408 559 H VAL 78 H VAL 78 1.579 -2.839 1.292 560 HA VAL 78 HA VAL 78 -0.737 -3.158 3.048 561 HB VAL 78 HB VAL 78 0.782 -4.077 4.847 562 HG11 VAL 78 1HG1 VAL 78 -0.595 -5.374 2.748 563 HG12 VAL 78 2HG1 VAL 78 0.878 -6.296 3.059 564 HG13 VAL 78 3HG1 VAL 78 -0.259 -5.978 4.370 565 HG21 VAL 78 3HG2 VAL 78 2.878 -4.940 4.362 566 HG22 VAL 78 1HG2 VAL 78 2.560 -5.009 2.628 567 HG23 VAL 78 2HG2 VAL 78 2.853 -3.456 3.410 568 H LYS 79 H LYS 79 -0.471 -2.012 5.116 569 HA LYS 79 HA LYS 79 -0.178 0.005 6.154 570 HB2 LYS 79 1HB LYS 79 2.703 -0.541 5.414 571 HB3 LYS 79 2HB LYS 79 2.147 0.524 6.698 572 HG2 LYS 79 1HG LYS 79 1.406 -1.265 8.016 573 HG3 LYS 79 2HG LYS 79 1.465 -2.396 6.662 574 HD2 LYS 79 1HD LYS 79 3.991 -1.051 7.462 575 HD3 LYS 79 2HD LYS 79 3.362 -2.320 8.515 576 HE2 LYS 79 1HE LYS 79 3.504 -2.841 5.588 577 HE3 LYS 79 2HE LYS 79 5.002 -2.863 6.517 578 HZ1 LYS 79 3HZ LYS 79 2.887 -4.337 7.771 579 HZ2 LYS 79 1HZ LYS 79 4.476 -4.808 7.429 580 HZ3 LYS 79 2HZ LYS 79 3.280 -4.942 6.241 581 H LEU 80 H LEU 80 -1.120 0.508 3.698 582 HA LEU 80 HA LEU 80 0.454 2.101 2.012 583 HB2 LEU 80 1HB LEU 80 -2.105 1.130 1.976 584 HB3 LEU 80 2HB LEU 80 -2.366 2.862 2.168 585 HG LEU 80 HG LEU 80 -0.593 2.858 0.127 586 HD11 LEU 80 1HD1 LEU 80 -0.958 0.233 0.294 587 HD12 LEU 80 2HD1 LEU 80 -0.727 1.056 -1.248 588 HD13 LEU 80 3HD1 LEU 80 -2.351 0.625 -0.714 589 HD21 LEU 80 3HD2 LEU 80 -3.569 2.849 0.270 590 HD22 LEU 80 1HD2 LEU 80 -2.788 2.848 -1.311 591 HD23 LEU 80 2HD2 LEU 80 -2.463 4.152 -0.168 592 H VAL 81 H VAL 81 0.654 4.337 1.790 593 HA VAL 81 HA VAL 81 -0.496 6.104 3.770 594 HB VAL 81 HB VAL 81 1.597 6.973 4.620 595 HG11 VAL 81 1HG1 VAL 81 0.518 5.065 5.774 596 HG12 VAL 81 2HG1 VAL 81 1.579 3.969 4.887 597 HG13 VAL 81 3HG1 VAL 81 2.262 5.132 6.024 598 HG21 VAL 81 3HG2 VAL 81 3.208 6.754 2.991 599 HG22 VAL 81 1HG2 VAL 81 3.675 5.466 4.102 600 HG23 VAL 81 2HG2 VAL 81 2.775 5.082 2.634 601 H LYS 82 H LYS 82 -1.086 7.861 2.700 602 HA LYS 82 HA LYS 82 -0.356 8.431 0.060 603 HB2 LYS 82 1HB LYS 82 -2.353 9.271 1.571 604 HB3 LYS 82 2HB LYS 82 -1.272 10.625 1.871 605 HG2 LYS 82 1HG LYS 82 -1.417 11.398 -0.270 606 HG3 LYS 82 2HG LYS 82 -1.740 9.799 -0.944 607 HD2 LYS 82 1HD LYS 82 -3.995 9.865 -0.313 608 HD3 LYS 82 2HD LYS 82 -3.727 11.180 0.833 609 HE2 LYS 82 1HE LYS 82 -3.643 12.784 -0.824 610 HE3 LYS 82 2HE LYS 82 -3.179 11.623 -2.068 611 HZ1 LYS 82 3HZ LYS 82 -5.344 10.893 -2.312 612 HZ2 LYS 82 1HZ LYS 82 -5.556 12.554 -2.069 613 HZ3 LYS 82 2HZ LYS 82 -5.836 11.471 -0.800 614 H ILE 83 H ILE 83 1.281 9.525 -0.839 615 HA ILE 83 HA ILE 83 3.524 10.284 0.740 616 HB ILE 83 HB ILE 83 3.134 11.101 -2.125 617 HG12 ILE 83 1HG1 ILE 83 3.588 8.367 -0.988 618 HG13 ILE 83 2HG1 ILE 83 2.571 8.857 -2.339 619 HG21 ILE 83 1HG2 ILE 83 5.675 10.051 -1.005 620 HG22 ILE 83 2HG2 ILE 83 5.402 11.303 -2.216 621 HG23 ILE 83 3HG2 ILE 83 5.155 11.660 -0.507 622 HD11 ILE 83 3HD1 ILE 83 5.360 8.030 -2.294 623 HD12 ILE 83 1HD1 ILE 83 4.191 8.023 -3.615 624 HD13 ILE 83 2HD1 ILE 83 5.074 9.499 -3.226 625 H SER 84 H SER 84 1.359 12.195 -1.357 626 HA SER 84 HA SER 84 2.240 14.622 0.028 627 HB2 SER 84 1HB SER 84 1.284 15.854 -1.826 628 HB3 SER 84 2HB SER 84 2.295 14.561 -2.470 629 HG SER 84 HG SER 84 0.064 13.405 -2.358 630 H GLY 85 H GLY 85 1.005 15.570 1.509 631 HA2 GLY 85 1HA GLY 85 -1.897 15.368 1.353 632 HA3 GLY 85 2HA GLY 85 -1.150 14.642 2.768 633 HA PRO 86 HA PRO 86 -0.526 19.474 2.878 634 HB2 PRO 86 2HB PRO 86 -0.929 20.379 0.805 635 HB3 PRO 86 1HB PRO 86 -2.460 20.845 1.556 636 HG2 PRO 86 1HG PRO 86 -3.613 19.066 0.610 637 HG3 PRO 86 2HG PRO 86 -2.425 19.380 -0.669 638 HD2 PRO 86 1HD PRO 86 -2.705 16.951 0.494 639 HD3 PRO 86 2HD PRO 86 -1.144 17.549 -0.103 640 H SER 87 H SER 87 -1.160 19.161 5.005 641 HA SER 87 HA SER 87 -3.890 18.846 5.778 642 HB2 SER 87 1HB SER 87 -2.259 17.928 7.249 643 HB3 SER 87 2HB SER 87 -1.367 19.447 7.325 644 HG SER 87 HG SER 87 -3.708 18.682 8.631 645 H SER 88 H SER 88 -5.330 20.324 6.555 646 HA SER 88 HA SER 88 -5.274 22.931 5.618 647 HB2 SER 88 1HB SER 88 -7.238 23.318 6.910 648 HB3 SER 88 2HB SER 88 -7.284 21.615 6.457 649 HG SER 88 HG SER 88 -7.749 22.093 8.717 650 H GLY 89 H GLY 89 -4.761 24.915 6.488 651 HA2 GLY 89 1HA GLY 89 -4.060 26.390 8.201 652 HA3 GLY 89 2HA GLY 89 -3.601 25.001 9.175 Start of MODEL 18 1 H1 GLY 1 H GLY 1 28.847 -12.999 -1.492 2 HA2 GLY 1 1HA GLY 1 28.853 -15.201 -2.252 3 HA3 GLY 1 2HA GLY 1 30.583 -14.914 -2.144 4 H SER 2 H SER 2 29.716 -17.457 -1.927 5 HA SER 2 HA SER 2 29.076 -18.336 0.666 6 HB2 SER 2 1HB SER 2 28.809 -19.735 -1.355 7 HB3 SER 2 2HB SER 2 30.564 -19.835 -1.506 8 HG SER 2 HG SER 2 30.284 -20.628 0.846 9 H SER 3 H SER 3 30.395 -17.290 2.161 10 HA SER 3 HA SER 3 32.213 -16.949 3.488 11 HB2 SER 3 1HB SER 3 32.765 -19.724 2.439 12 HB3 SER 3 2HB SER 3 33.810 -18.945 3.627 13 HG SER 3 HG SER 3 31.562 -18.601 4.691 14 H GLY 4 H GLY 4 32.392 -15.625 1.101 15 HA2 GLY 4 1HA GLY 4 35.112 -14.997 0.932 16 HA3 GLY 4 2HA GLY 4 34.745 -16.110 -0.378 17 H SER 5 H SER 5 35.545 -13.262 -0.417 18 HA SER 5 HA SER 5 33.159 -12.005 -1.563 19 HB2 SER 5 1HB SER 5 35.749 -10.976 -0.478 20 HB3 SER 5 2HB SER 5 34.890 -10.009 -1.677 21 HG SER 5 HG SER 5 33.407 -11.025 0.450 22 H SER 6 H SER 6 33.029 -13.057 -3.540 23 HA SER 6 HA SER 6 35.294 -13.195 -5.310 24 HB2 SER 6 1HB SER 6 33.673 -14.131 -6.929 25 HB3 SER 6 2HB SER 6 33.597 -14.953 -5.370 26 HG SER 6 HG SER 6 31.525 -14.541 -5.726 27 H GLY 7 H GLY 7 32.171 -11.471 -5.387 28 HA2 GLY 7 1HA GLY 7 32.133 -9.107 -5.933 29 HA3 GLY 7 2HA GLY 7 33.490 -9.392 -7.012 30 H GLY 8 H GLY 8 30.379 -8.600 -7.061 31 HA2 GLY 8 1HA GLY 8 29.639 -8.509 -9.513 32 HA3 GLY 8 2HA GLY 8 29.724 -10.261 -9.406 33 H TYR 9 H TYR 9 27.486 -8.237 -9.828 34 HA TYR 9 HA TYR 9 25.777 -8.594 -7.538 35 HB2 TYR 9 1HB TYR 9 24.048 -7.571 -9.134 36 HB3 TYR 9 2HB TYR 9 25.422 -6.569 -8.682 37 HD1 TYR 9 2HD TYR 9 23.912 -8.549 -11.394 38 HD2 TYR 9 1HD TYR 9 27.042 -5.878 -10.311 39 HE1 TYR 9 2HE TYR 9 24.435 -8.205 -13.773 40 HE2 TYR 9 1HE TYR 9 27.572 -5.526 -12.686 41 HH TYR 9 HH TYR 9 26.313 -7.493 -15.161 42 HA PRO 10 HA PRO 10 23.384 -8.431 -7.467 43 HB2 PRO 10 2HB PRO 10 21.382 -9.552 -7.349 44 HB3 PRO 10 1HB PRO 10 22.011 -10.049 -5.774 45 HG2 PRO 10 1HG PRO 10 22.713 -12.116 -6.566 46 HG3 PRO 10 2HG PRO 10 21.285 -11.863 -7.586 47 HD2 PRO 10 1HD PRO 10 23.742 -12.349 -8.614 48 HD3 PRO 10 2HD PRO 10 22.547 -11.327 -9.438 49 H ASN 11 H ASN 11 24.362 -7.558 -5.742 50 HA ASN 11 HA ASN 11 26.622 -8.639 -4.557 51 HB2 ASN 11 1HB ASN 11 25.849 -6.213 -4.547 52 HB3 ASN 11 2HB ASN 11 24.811 -6.647 -3.192 53 HD21 ASN 11 2HD2 ASN 11 27.310 -6.254 -0.866 54 HD22 ASN 11 1HD2 ASN 11 25.630 -6.312 -1.266 55 H GLY 12 H GLY 12 23.294 -8.544 -3.300 56 HA2 GLY 12 1HA GLY 12 23.524 -11.051 -2.010 57 HA3 GLY 12 2HA GLY 12 23.762 -9.764 -0.838 58 H THR 13 H THR 13 21.801 -10.870 0.068 59 HA THR 13 HA THR 13 19.299 -10.816 -1.159 60 HB THR 13 HB THR 13 18.356 -10.823 1.156 61 HG1 THR 13 1HG THR 13 21.006 -10.136 1.723 62 HG21 THR 13 3HG2 THR 13 18.691 -12.995 0.638 63 HG22 THR 13 1HG2 THR 13 19.989 -12.879 1.825 64 HG23 THR 13 2HG2 THR 13 20.350 -12.720 0.106 65 H SER 14 H SER 14 17.439 -9.427 -0.566 66 HA SER 14 HA SER 14 18.250 -6.624 -0.163 67 HB2 SER 14 1HB SER 14 16.592 -5.919 -1.797 68 HB3 SER 14 2HB SER 14 17.685 -7.086 -2.541 69 HG SER 14 HG SER 14 14.988 -7.303 -1.943 70 H ALA 15 H ALA 15 17.356 -5.770 1.582 71 HA ALA 15 HA ALA 15 15.233 -7.085 2.986 72 HB1 ALA 15 3HB ALA 15 16.169 -6.024 4.693 73 HB2 ALA 15 1HB ALA 15 17.216 -5.139 3.582 74 HB3 ALA 15 2HB ALA 15 15.640 -4.480 4.024 75 H ALA 16 H ALA 16 13.114 -6.526 3.165 76 HA ALA 16 HA ALA 16 11.676 -5.460 1.152 77 HB1 ALA 16 3HB ALA 16 9.981 -4.772 2.968 78 HB2 ALA 16 1HB ALA 16 10.434 -6.472 2.834 79 HB3 ALA 16 2HB ALA 16 11.143 -5.466 4.099 80 H LEU 17 H LEU 17 10.647 -3.438 0.726 81 HA LEU 17 HA LEU 17 11.610 -1.070 2.085 82 HB2 LEU 17 1HB LEU 17 12.695 -0.061 0.282 83 HB3 LEU 17 2HB LEU 17 13.308 -1.713 0.305 84 HG LEU 17 HG LEU 17 12.960 -1.120 -1.966 85 HD11 LEU 17 1HD1 LEU 17 10.467 -2.663 -1.421 86 HD12 LEU 17 2HD1 LEU 17 12.031 -3.359 -0.999 87 HD13 LEU 17 3HD1 LEU 17 11.691 -2.902 -2.668 88 HD21 LEU 17 3HD2 LEU 17 11.233 0.091 -2.802 89 HD22 LEU 17 1HD2 LEU 17 11.170 0.675 -1.139 90 HD23 LEU 17 2HD2 LEU 17 10.061 -0.589 -1.672 91 H ARG 18 H ARG 18 10.462 0.858 1.472 92 HA ARG 18 HA ARG 18 7.724 0.310 0.791 93 HB2 ARG 18 1HB ARG 18 9.095 2.957 1.296 94 HB3 ARG 18 2HB ARG 18 7.359 2.690 1.229 95 HG2 ARG 18 1HG ARG 18 9.188 1.396 3.237 96 HG3 ARG 18 2HG ARG 18 8.278 2.880 3.527 97 HD2 ARG 18 1HD ARG 18 6.893 0.390 2.605 98 HD3 ARG 18 2HD ARG 18 7.290 0.618 4.308 99 HE ARG 18 HE ARG 18 5.280 2.029 2.778 100 HH11 ARG 18 2HH1 ARG 18 7.225 1.951 5.665 101 HH12 ARG 18 1HH1 ARG 18 6.165 2.987 6.563 102 HH21 ARG 18 1HH2 ARG 18 4.261 3.806 5.587 103 HH22 ARG 18 2HH2 ARG 18 3.878 3.393 3.950 104 H GLU 19 H GLU 19 6.849 0.376 -1.167 105 HA GLU 19 HA GLU 19 8.378 1.621 -3.343 106 HB2 GLU 19 1HB GLU 19 6.109 -0.370 -3.502 107 HB3 GLU 19 2HB GLU 19 7.063 0.222 -4.854 108 HG2 GLU 19 1HG GLU 19 8.288 -1.244 -2.541 109 HG3 GLU 19 2HG GLU 19 7.643 -2.070 -3.958 110 H THR 20 H THR 20 7.265 2.859 -4.954 111 HA THR 20 HA THR 20 4.769 4.087 -3.977 112 HB THR 20 HB THR 20 5.475 6.224 -4.888 113 HG1 THR 20 1HG THR 20 6.979 4.955 -6.454 114 HG21 THR 20 3HG2 THR 20 6.672 4.931 -2.684 115 HG22 THR 20 1HG2 THR 20 6.469 6.663 -2.943 116 HG23 THR 20 2HG2 THR 20 7.942 5.858 -3.482 117 H GLY 21 H GLY 21 3.153 4.442 -5.441 118 HA2 GLY 21 1HA GLY 21 3.683 4.039 -8.284 119 HA3 GLY 21 2HA GLY 21 2.587 2.901 -7.516 120 H VAL 22 H VAL 22 0.638 3.399 -8.317 121 HA VAL 22 HA VAL 22 -0.490 5.983 -7.638 122 HB VAL 22 HB VAL 22 0.527 6.230 -9.940 123 HG11 VAL 22 1HG1 VAL 22 0.148 4.156 -10.967 124 HG12 VAL 22 2HG1 VAL 22 -1.564 4.158 -10.537 125 HG13 VAL 22 3HG1 VAL 22 -0.962 5.262 -11.775 126 HG21 VAL 22 3HG2 VAL 22 -1.076 7.830 -9.359 127 HG22 VAL 22 1HG2 VAL 22 -1.647 7.197 -10.903 128 HG23 VAL 22 2HG2 VAL 22 -2.394 6.658 -9.398 129 H ILE 23 H ILE 23 -2.711 5.952 -7.424 130 HA ILE 23 HA ILE 23 -3.903 3.376 -7.067 131 HB ILE 23 HB ILE 23 -5.158 6.120 -6.930 132 HG12 ILE 23 1HG1 ILE 23 -3.256 5.498 -5.312 133 HG13 ILE 23 2HG1 ILE 23 -4.758 6.093 -4.613 134 HG21 ILE 23 1HG2 ILE 23 -7.018 5.103 -5.838 135 HG22 ILE 23 2HG2 ILE 23 -6.739 4.225 -7.341 136 HG23 ILE 23 3HG2 ILE 23 -6.214 3.534 -5.806 137 HD11 ILE 23 3HD1 ILE 23 -4.460 3.165 -4.938 138 HD12 ILE 23 1HD1 ILE 23 -3.513 3.959 -3.680 139 HD13 ILE 23 2HD1 ILE 23 -5.271 4.092 -3.677 140 H GLU 24 H GLU 24 -4.077 2.338 -9.029 141 HA GLU 24 HA GLU 24 -5.136 3.562 -11.367 142 HB2 GLU 24 1HB GLU 24 -3.645 1.450 -11.140 143 HB3 GLU 24 2HB GLU 24 -5.161 0.598 -10.879 144 HG2 GLU 24 1HG GLU 24 -4.247 0.630 -13.239 145 HG3 GLU 24 2HG GLU 24 -5.937 1.082 -13.030 146 H LYS 25 H LYS 25 -6.504 1.424 -8.894 147 HA LYS 25 HA LYS 25 -9.175 2.342 -9.660 148 HB2 LYS 25 1HB LYS 25 -8.405 -0.021 -10.615 149 HB3 LYS 25 2HB LYS 25 -8.880 -0.550 -9.006 150 HG2 LYS 25 1HG LYS 25 -10.785 1.162 -10.493 151 HG3 LYS 25 2HG LYS 25 -10.570 -0.500 -11.047 152 HD2 LYS 25 1HD LYS 25 -11.112 -1.330 -8.825 153 HD3 LYS 25 2HD LYS 25 -11.262 0.324 -8.226 154 HE2 LYS 25 1HE LYS 25 -12.925 -0.704 -10.507 155 HE3 LYS 25 2HE LYS 25 -13.414 -0.918 -8.827 156 HZ1 LYS 25 3HZ LYS 25 -14.365 1.071 -9.081 157 HZ2 LYS 25 1HZ LYS 25 -13.472 1.446 -10.468 158 HZ3 LYS 25 2HZ LYS 25 -12.804 1.707 -8.937 159 H LEU 26 H LEU 26 -10.728 2.223 -7.991 160 HA LEU 26 HA LEU 26 -9.819 1.363 -5.355 161 HB2 LEU 26 1HB LEU 26 -9.325 3.862 -5.843 162 HB3 LEU 26 2HB LEU 26 -11.063 4.071 -5.635 163 HG LEU 26 HG LEU 26 -10.533 2.776 -3.362 164 HD11 LEU 26 1HD1 LEU 26 -8.371 3.905 -2.517 165 HD12 LEU 26 2HD1 LEU 26 -7.950 4.017 -4.225 166 HD13 LEU 26 3HD1 LEU 26 -8.243 2.440 -3.491 167 HD21 LEU 26 3HD2 LEU 26 -10.781 4.818 -2.280 168 HD22 LEU 26 1HD2 LEU 26 -11.516 5.108 -3.857 169 HD23 LEU 26 2HD2 LEU 26 -9.888 5.698 -3.521 170 H LEU 27 H LEU 27 -11.440 0.655 -4.041 171 HA LEU 27 HA LEU 27 -14.209 1.059 -4.934 172 HB2 LEU 27 1HB LEU 27 -13.040 -1.578 -4.056 173 HB3 LEU 27 2HB LEU 27 -14.721 -1.280 -4.495 174 HG LEU 27 HG LEU 27 -13.607 -0.543 -6.785 175 HD11 LEU 27 1HD1 LEU 27 -11.787 -2.468 -7.065 176 HD12 LEU 27 2HD1 LEU 27 -11.517 -2.083 -5.366 177 HD13 LEU 27 3HD1 LEU 27 -11.368 -0.822 -6.590 178 HD21 LEU 27 3HD2 LEU 27 -14.084 -3.392 -5.920 179 HD22 LEU 27 1HD2 LEU 27 -13.974 -2.843 -7.592 180 HD23 LEU 27 2HD2 LEU 27 -15.285 -2.270 -6.561 181 H THR 28 H THR 28 -15.630 -0.200 -3.096 182 HA THR 28 HA THR 28 -15.198 1.373 -0.734 183 HB THR 28 HB THR 28 -17.293 -0.696 -1.410 184 HG1 THR 28 1HG THR 28 -18.594 1.132 -1.663 185 HG21 THR 28 3HG2 THR 28 -18.475 -0.004 0.589 186 HG22 THR 28 1HG2 THR 28 -17.188 1.131 0.993 187 HG23 THR 28 2HG2 THR 28 -16.877 -0.605 1.028 188 H SER 29 H SER 29 -14.632 -1.923 -1.699 189 HA SER 29 HA SER 29 -14.098 -2.775 1.035 190 HB2 SER 29 1HB SER 29 -14.262 -4.181 -1.615 191 HB3 SER 29 2HB SER 29 -13.485 -4.966 -0.240 192 HG SER 29 HG SER 29 -15.384 -5.357 0.547 193 H TYR 30 H TYR 30 -12.372 -2.265 -2.010 194 HA TYR 30 HA TYR 30 -9.945 -1.643 -0.636 195 HB2 TYR 30 1HB TYR 30 -8.664 -3.500 -1.905 196 HB3 TYR 30 2HB TYR 30 -9.521 -3.931 -0.429 197 HD1 TYR 30 1HD TYR 30 -10.844 -3.413 -3.874 198 HD2 TYR 30 2HD TYR 30 -10.126 -6.162 -0.707 199 HE1 TYR 30 1HE TYR 30 -12.081 -5.146 -5.106 200 HE2 TYR 30 2HE TYR 30 -11.360 -7.903 -1.930 201 HH TYR 30 HH TYR 30 -12.922 -8.185 -3.653 202 H GLY 31 H GLY 31 -8.072 -1.727 -2.489 203 HA2 GLY 31 1HA GLY 31 -9.128 -0.876 -5.064 204 HA3 GLY 31 2HA GLY 31 -8.316 0.366 -4.124 205 H PHE 32 H PHE 32 -7.433 -0.416 -6.646 206 HA PHE 32 HA PHE 32 -5.063 -2.060 -6.108 207 HB2 PHE 32 1HB PHE 32 -6.253 -1.165 -8.742 208 HB3 PHE 32 2HB PHE 32 -4.842 -2.203 -8.562 209 HD1 PHE 32 2HD PHE 32 -8.428 -2.011 -7.572 210 HD2 PHE 32 1HD PHE 32 -5.120 -4.488 -8.593 211 HE1 PHE 32 2HE PHE 32 -9.894 -3.986 -7.518 212 HE2 PHE 32 1HE PHE 32 -6.582 -6.467 -8.542 213 HZ PHE 32 HZ PHE 32 -8.972 -6.217 -8.003 214 H ILE 33 H ILE 33 -2.997 -1.367 -6.986 215 HA ILE 33 HA ILE 33 -2.747 1.526 -7.398 216 HB ILE 33 HB ILE 33 -1.149 -0.089 -5.412 217 HG12 ILE 33 1HG1 ILE 33 -2.588 2.489 -4.869 218 HG13 ILE 33 2HG1 ILE 33 -3.478 0.970 -4.879 219 HG21 ILE 33 1HG2 ILE 33 -0.517 2.395 -6.852 220 HG22 ILE 33 2HG2 ILE 33 -0.267 2.449 -5.108 221 HG23 ILE 33 3HG2 ILE 33 0.552 1.225 -6.077 222 HD11 ILE 33 3HD1 ILE 33 -2.956 1.188 -2.662 223 HD12 ILE 33 1HD1 ILE 33 -1.613 0.199 -3.233 224 HD13 ILE 33 2HD1 ILE 33 -1.391 1.932 -2.989 225 H GLN 34 H GLN 34 -1.957 1.633 -9.403 226 HA GLN 34 HA GLN 34 -0.301 -0.382 -10.552 227 HB2 GLN 34 1HB GLN 34 -1.824 0.987 -11.907 228 HB3 GLN 34 2HB GLN 34 -0.891 2.424 -11.511 229 HG2 GLN 34 1HG GLN 34 0.073 1.995 -13.492 230 HG3 GLN 34 2HG GLN 34 1.060 0.899 -12.526 231 HE21 GLN 34 2HE2 GLN 34 -0.598 -2.039 -13.703 232 HE22 GLN 34 1HE2 GLN 34 0.070 -1.334 -12.274 233 H CYS 35 H CYS 35 1.649 -0.673 -9.620 234 HA CYS 35 HA CYS 35 3.261 1.206 -8.398 235 HB2 CYS 35 1HB CYS 35 3.452 -1.439 -8.718 236 HB3 CYS 35 2HB CYS 35 4.609 -0.948 -9.950 237 HG CYS 35 HG CYS 35 5.129 -1.320 -6.795 238 H SER 36 H SER 36 4.845 2.604 -9.038 239 HA SER 36 HA SER 36 4.876 3.266 -11.886 240 HB2 SER 36 1HB SER 36 5.851 4.791 -9.460 241 HB3 SER 36 2HB SER 36 5.993 5.370 -11.120 242 HG SER 36 HG SER 36 4.031 5.895 -9.651 243 H GLU 37 H GLU 37 6.500 1.172 -10.141 244 HA GLU 37 HA GLU 37 9.087 1.784 -11.414 245 HB2 GLU 37 1HB GLU 37 8.688 0.223 -8.858 246 HB3 GLU 37 2HB GLU 37 10.220 0.695 -9.579 247 HG2 GLU 37 1HG GLU 37 9.207 3.113 -9.306 248 HG3 GLU 37 2HG GLU 37 8.261 2.316 -8.050 249 H ARG 38 H ARG 38 6.830 -0.745 -10.421 250 HA ARG 38 HA ARG 38 8.232 -2.659 -12.149 251 HB2 ARG 38 1HB ARG 38 7.151 -4.400 -10.957 252 HB3 ARG 38 2HB ARG 38 7.684 -3.242 -9.745 253 HG2 ARG 38 1HG ARG 38 5.545 -2.559 -9.258 254 HG3 ARG 38 2HG ARG 38 4.918 -3.043 -10.835 255 HD2 ARG 38 1HD ARG 38 5.799 -4.914 -8.639 256 HD3 ARG 38 2HD ARG 38 4.128 -4.517 -9.041 257 HE ARG 38 HE ARG 38 5.644 -5.579 -11.245 258 HH11 ARG 38 2HH1 ARG 38 3.657 -6.341 -8.490 259 HH12 ARG 38 1HH1 ARG 38 3.168 -7.885 -9.106 260 HH21 ARG 38 1HH2 ARG 38 3.937 -8.605 -11.140 261 HH22 ARG 38 2HH2 ARG 38 5.007 -7.609 -12.067 262 H GLN 39 H GLN 39 5.803 -0.471 -12.366 263 HA GLN 39 HA GLN 39 3.926 -0.218 -13.647 264 HB2 GLN 39 1HB GLN 39 5.744 -1.861 -15.398 265 HB3 GLN 39 2HB GLN 39 4.202 -1.244 -15.975 266 HG2 GLN 39 1HG GLN 39 4.954 1.043 -15.459 267 HG3 GLN 39 2HG GLN 39 6.518 0.393 -14.970 268 HE21 GLN 39 2HE2 GLN 39 7.784 0.232 -18.177 269 HE22 GLN 39 1HE2 GLN 39 8.028 0.077 -16.474 270 H ALA 40 H ALA 40 3.301 -1.972 -11.760 271 HA ALA 40 HA ALA 40 1.650 -3.934 -13.190 272 HB1 ALA 40 3HB ALA 40 2.257 -5.723 -11.870 273 HB2 ALA 40 1HB ALA 40 3.795 -4.879 -12.053 274 HB3 ALA 40 2HB ALA 40 2.859 -4.697 -10.569 275 H ARG 41 H ARG 41 -0.416 -4.003 -12.528 276 HA ARG 41 HA ARG 41 -1.335 -2.083 -10.620 277 HB2 ARG 41 1HB ARG 41 -3.537 -2.763 -11.226 278 HB3 ARG 41 2HB ARG 41 -2.574 -2.781 -12.697 279 HG2 ARG 41 1HG ARG 41 -2.249 -5.319 -12.004 280 HG3 ARG 41 2HG ARG 41 -3.788 -5.023 -11.192 281 HD2 ARG 41 1HD ARG 41 -4.818 -4.359 -13.248 282 HD3 ARG 41 2HD ARG 41 -3.270 -4.390 -14.091 283 HE ARG 41 HE ARG 41 -3.454 -6.671 -14.293 284 HH11 ARG 41 2HH1 ARG 41 -5.836 -5.500 -12.041 285 HH12 ARG 41 1HH1 ARG 41 -6.680 -7.011 -11.947 286 HH21 ARG 41 1HH2 ARG 41 -5.950 -8.810 -13.162 287 HH22 ARG 41 2HH2 ARG 41 -4.556 -8.665 -14.178 288 H LEU 42 H LEU 42 -0.764 -2.501 -8.550 289 HA LEU 42 HA LEU 42 -0.921 -5.158 -7.441 290 HB2 LEU 42 1HB LEU 42 -0.088 -2.474 -6.454 291 HB3 LEU 42 2HB LEU 42 -0.485 -3.725 -5.278 292 HG LEU 42 HG LEU 42 1.711 -3.783 -7.342 293 HD11 LEU 42 1HD1 LEU 42 3.065 -3.130 -5.708 294 HD12 LEU 42 2HD1 LEU 42 2.421 -4.345 -4.603 295 HD13 LEU 42 3HD1 LEU 42 1.628 -2.776 -4.748 296 HD21 LEU 42 3HD2 LEU 42 1.234 -5.995 -7.377 297 HD22 LEU 42 1HD2 LEU 42 0.395 -5.953 -5.826 298 HD23 LEU 42 2HD2 LEU 42 2.158 -5.976 -5.874 299 H PHE 43 H PHE 43 -2.072 -5.458 -5.300 300 HA PHE 43 HA PHE 43 -4.711 -4.151 -5.393 301 HB2 PHE 43 1HB PHE 43 -5.343 -6.273 -5.965 302 HB3 PHE 43 2HB PHE 43 -3.953 -7.014 -5.177 303 HD1 PHE 43 2HD PHE 43 -6.569 -4.755 -3.800 304 HD2 PHE 43 1HD PHE 43 -4.811 -8.632 -3.769 305 HE1 PHE 43 2HE PHE 43 -7.990 -5.381 -1.891 306 HE2 PHE 43 1HE PHE 43 -6.230 -9.264 -1.861 307 HZ PHE 43 HZ PHE 43 -7.821 -7.637 -0.919 308 H PHE 44 H PHE 44 -4.669 -2.720 -3.767 309 HA PHE 44 HA PHE 44 -3.553 -3.550 -1.181 310 HB2 PHE 44 1HB PHE 44 -3.048 -1.356 -0.743 311 HB3 PHE 44 2HB PHE 44 -2.975 -1.318 -2.501 312 HD1 PHE 44 1HD PHE 44 -4.692 -0.214 -3.796 313 HD2 PHE 44 2HD PHE 44 -4.862 -0.305 0.456 314 HE1 PHE 44 1HE PHE 44 -6.395 1.562 -3.830 315 HE2 PHE 44 2HE PHE 44 -6.565 1.471 0.429 316 HZ PHE 44 HZ PHE 44 -7.334 2.406 -1.715 317 H HIS 45 H HIS 45 -4.782 -3.699 0.620 318 HA HIS 45 HA HIS 45 -7.663 -3.613 0.265 319 HB2 HIS 45 1HB HIS 45 -6.093 -5.357 1.592 320 HB3 HIS 45 2HB HIS 45 -6.512 -4.274 2.916 321 HD1 HIS 45 1HD HIS 45 -9.406 -3.701 2.480 322 HD2 HIS 45 2HD HIS 45 -7.767 -7.461 1.818 323 HE1 HIS 45 1HE HIS 45 -11.330 -5.312 2.645 324 HE2 HIS 45 2HE HIS 45 -10.300 -7.588 2.325 325 H CYS 46 H CYS 46 -9.055 -2.235 1.272 326 HA CYS 46 HA CYS 46 -8.261 0.333 1.916 327 HB2 CYS 46 1HB CYS 46 -10.735 -1.246 2.562 328 HB3 CYS 46 2HB CYS 46 -10.542 0.398 3.158 329 HG CYS 46 HG CYS 46 -11.839 -0.456 0.394 330 H SER 47 H SER 47 -7.957 -2.486 3.778 331 HA SER 47 HA SER 47 -8.034 -1.225 6.362 332 HB2 SER 47 1HB SER 47 -8.627 -3.574 6.180 333 HB3 SER 47 2HB SER 47 -7.047 -3.953 5.496 334 HG SER 47 HG SER 47 -6.378 -4.170 7.464 335 H GLN 48 H GLN 48 -5.595 -2.041 3.991 336 HA GLN 48 HA GLN 48 -3.309 -1.787 5.591 337 HB2 GLN 48 1HB GLN 48 -3.541 -1.067 2.666 338 HB3 GLN 48 2HB GLN 48 -2.077 -1.519 3.530 339 HG2 GLN 48 1HG GLN 48 -4.431 -3.279 2.893 340 HG3 GLN 48 2HG GLN 48 -2.806 -3.376 2.217 341 HE21 GLN 48 2HE2 GLN 48 -3.491 -5.799 5.081 342 HE22 GLN 48 1HE2 GLN 48 -4.496 -5.291 3.771 343 H TYR 49 H TYR 49 -4.877 0.627 3.489 344 HA TYR 49 HA TYR 49 -3.233 2.780 3.964 345 HB2 TYR 49 1HB TYR 49 -5.121 2.742 2.346 346 HB3 TYR 49 2HB TYR 49 -6.244 2.895 3.693 347 HD1 TYR 49 2HD TYR 49 -3.002 4.638 3.128 348 HD2 TYR 49 1HD TYR 49 -7.234 4.985 3.396 349 HE1 TYR 49 2HE TYR 49 -2.803 7.087 3.011 350 HE2 TYR 49 1HE TYR 49 -7.047 7.434 3.278 351 HH TYR 49 HH TYR 49 -4.014 9.013 2.580 352 H ASN 50 H ASN 50 -2.712 3.927 5.699 353 HA ASN 50 HA ASN 50 -4.003 3.427 8.220 354 HB2 ASN 50 1HB ASN 50 -1.472 3.955 7.667 355 HB3 ASN 50 2HB ASN 50 -2.005 5.622 7.864 356 HD21 ASN 50 2HD2 ASN 50 -1.137 3.443 11.046 357 HD22 ASN 50 1HD2 ASN 50 -0.708 3.049 9.420 358 H GLY 51 H GLY 51 -3.833 6.091 5.912 359 HA2 GLY 51 1HA GLY 51 -5.137 8.028 7.501 360 HA3 GLY 51 2HA GLY 51 -5.024 8.047 5.748 361 H ASN 52 H ASN 52 -7.062 8.577 5.177 362 HA ASN 52 HA ASN 52 -9.184 6.707 5.993 363 HB2 ASN 52 1HB ASN 52 -10.735 8.759 5.720 364 HB3 ASN 52 2HB ASN 52 -9.771 8.633 7.189 365 HD21 ASN 52 2HD2 ASN 52 -9.503 11.870 4.949 366 HD22 ASN 52 1HD2 ASN 52 -10.766 10.694 4.869 367 H LEU 53 H LEU 53 -9.720 5.567 4.255 368 HA LEU 53 HA LEU 53 -9.122 5.824 1.674 369 HB2 LEU 53 1HB LEU 53 -11.522 4.781 3.050 370 HB3 LEU 53 2HB LEU 53 -11.651 5.012 1.307 371 HG LEU 53 HG LEU 53 -11.056 2.712 1.874 372 HD11 LEU 53 1HD1 LEU 53 -9.791 4.370 0.020 373 HD12 LEU 53 2HD1 LEU 53 -9.895 2.610 -0.013 374 HD13 LEU 53 3HD1 LEU 53 -8.505 3.397 0.735 375 HD21 LEU 53 3HD2 LEU 53 -8.337 3.456 2.755 376 HD22 LEU 53 1HD2 LEU 53 -9.360 2.103 3.238 377 HD23 LEU 53 2HD2 LEU 53 -9.637 3.705 3.921 378 H GLN 54 H GLN 54 -11.777 7.561 3.245 379 HA GLN 54 HA GLN 54 -13.033 8.758 1.152 380 HB2 GLN 54 1HB GLN 54 -12.259 10.031 3.781 381 HB3 GLN 54 2HB GLN 54 -13.434 10.704 2.659 382 HG2 GLN 54 1HG GLN 54 -13.708 7.962 3.851 383 HG3 GLN 54 2HG GLN 54 -14.357 9.412 4.616 384 HE21 GLN 54 2HE2 GLN 54 -16.598 7.536 2.035 385 HE22 GLN 54 1HE2 GLN 54 -15.319 6.875 2.989 386 H ASP 55 H ASP 55 -10.068 9.943 2.721 387 HA ASP 55 HA ASP 55 -9.722 12.155 0.987 388 HB2 ASP 55 1HB ASP 55 -8.067 10.754 3.024 389 HB3 ASP 55 2HB ASP 55 -7.223 11.772 1.861 390 H LEU 56 H LEU 56 -8.587 8.824 0.912 391 HA LEU 56 HA LEU 56 -6.772 9.147 -1.241 392 HB2 LEU 56 1HB LEU 56 -7.116 7.202 0.494 393 HB3 LEU 56 2HB LEU 56 -8.182 6.565 -0.758 394 HG LEU 56 HG LEU 56 -6.319 6.505 -2.330 395 HD11 LEU 56 1HD1 LEU 56 -4.982 8.337 -1.639 396 HD12 LEU 56 2HD1 LEU 56 -4.009 6.884 -1.419 397 HD13 LEU 56 3HD1 LEU 56 -4.764 7.658 -0.027 398 HD21 LEU 56 3HD2 LEU 56 -5.857 4.465 -1.589 399 HD22 LEU 56 1HD2 LEU 56 -6.670 4.875 -0.079 400 HD23 LEU 56 2HD2 LEU 56 -4.930 5.115 -0.236 401 H LYS 57 H LYS 57 -6.998 8.592 -3.427 402 HA LYS 57 HA LYS 57 -9.591 7.907 -4.495 403 HB2 LYS 57 1HB LYS 57 -9.485 9.956 -6.059 404 HB3 LYS 57 2HB LYS 57 -10.071 10.192 -4.418 405 HG2 LYS 57 1HG LYS 57 -7.962 11.113 -3.736 406 HG3 LYS 57 2HG LYS 57 -7.246 10.736 -5.305 407 HD2 LYS 57 1HD LYS 57 -8.572 12.355 -6.406 408 HD3 LYS 57 2HD LYS 57 -9.633 12.544 -5.007 409 HE2 LYS 57 1HE LYS 57 -7.957 13.668 -3.773 410 HE3 LYS 57 2HE LYS 57 -6.701 13.211 -4.923 411 HZ1 LYS 57 3HZ LYS 57 -8.237 15.526 -4.915 412 HZ2 LYS 57 1HZ LYS 57 -8.727 14.632 -6.265 413 HZ3 LYS 57 2HZ LYS 57 -7.098 15.045 -6.069 414 H VAL 58 H VAL 58 -9.513 7.692 -6.898 415 HA VAL 58 HA VAL 58 -7.123 6.306 -7.654 416 HB VAL 58 HB VAL 58 -9.570 6.997 -9.287 417 HG11 VAL 58 1HG1 VAL 58 -7.669 4.795 -9.961 418 HG12 VAL 58 2HG1 VAL 58 -8.785 5.676 -11.006 419 HG13 VAL 58 3HG1 VAL 58 -7.299 6.448 -10.450 420 HG21 VAL 58 3HG2 VAL 58 -9.028 4.227 -8.432 421 HG22 VAL 58 1HG2 VAL 58 -9.495 5.352 -7.157 422 HG23 VAL 58 2HG2 VAL 58 -10.554 5.103 -8.545 423 H GLY 59 H GLY 59 -5.356 7.212 -8.462 424 HA2 GLY 59 1HA GLY 59 -4.367 8.429 -10.322 425 HA3 GLY 59 2HA GLY 59 -5.666 9.603 -10.165 426 H ASP 60 H ASP 60 -4.279 8.420 -7.253 427 HA ASP 60 HA ASP 60 -2.703 10.898 -6.994 428 HB2 ASP 60 1HB ASP 60 -4.592 9.583 -5.069 429 HB3 ASP 60 2HB ASP 60 -3.258 10.562 -4.463 430 H ASP 61 H ASP 61 -0.691 10.750 -6.111 431 HA ASP 61 HA ASP 61 0.608 8.233 -6.174 432 HB2 ASP 61 1HB ASP 61 1.434 10.994 -5.323 433 HB3 ASP 61 2HB ASP 61 2.501 9.619 -5.054 434 H VAL 62 H VAL 62 1.226 6.861 -4.574 435 HA VAL 62 HA VAL 62 0.877 7.589 -1.786 436 HB VAL 62 HB VAL 62 -0.440 5.381 -1.449 437 HG11 VAL 62 1HG1 VAL 62 -2.398 7.133 -2.616 438 HG12 VAL 62 2HG1 VAL 62 -2.078 6.785 -0.916 439 HG13 VAL 62 3HG1 VAL 62 -1.184 8.064 -1.738 440 HG21 VAL 62 3HG2 VAL 62 -0.353 5.564 -4.324 441 HG22 VAL 62 1HG2 VAL 62 -0.932 4.250 -3.299 442 HG23 VAL 62 2HG2 VAL 62 -2.019 5.565 -3.745 443 H GLU 63 H GLU 63 2.142 6.404 -0.409 444 HA GLU 63 HA GLU 63 4.014 4.551 -1.692 445 HB2 GLU 63 1HB GLU 63 4.829 6.556 -0.378 446 HB3 GLU 63 2HB GLU 63 4.227 5.754 1.067 447 HG2 GLU 63 1HG GLU 63 5.718 3.774 0.135 448 HG3 GLU 63 2HG GLU 63 6.573 5.115 -0.625 449 H PHE 64 H PHE 64 4.090 2.440 -1.215 450 HA PHE 64 HA PHE 64 2.750 1.453 1.188 451 HB2 PHE 64 1HB PHE 64 1.713 -0.389 -0.227 452 HB3 PHE 64 2HB PHE 64 0.995 1.211 -0.389 453 HD1 PHE 64 1HD PHE 64 1.372 2.541 -2.412 454 HD2 PHE 64 2HD PHE 64 2.845 -1.436 -2.047 455 HE1 PHE 64 1HE PHE 64 1.712 2.447 -4.847 456 HE2 PHE 64 2HE PHE 64 3.187 -1.536 -4.481 457 HZ PHE 64 HZ PHE 64 2.621 0.407 -5.884 458 H GLU 65 H GLU 65 3.076 -1.078 1.230 459 HA GLU 65 HA GLU 65 5.862 -1.624 0.436 460 HB2 GLU 65 1HB GLU 65 6.005 -1.396 2.757 461 HB3 GLU 65 2HB GLU 65 4.439 -2.148 3.024 462 HG2 GLU 65 1HG GLU 65 6.055 -3.691 3.761 463 HG3 GLU 65 2HG GLU 65 5.454 -4.301 2.220 464 H VAL 66 H VAL 66 6.165 -3.382 -0.766 465 HA VAL 66 HA VAL 66 3.919 -5.056 -1.444 466 HB VAL 66 HB VAL 66 6.803 -5.164 -2.336 467 HG11 VAL 66 1HG1 VAL 66 4.805 -7.147 -2.531 468 HG12 VAL 66 2HG1 VAL 66 4.998 -6.446 -4.138 469 HG13 VAL 66 3HG1 VAL 66 6.393 -7.122 -3.296 470 HG21 VAL 66 3HG2 VAL 66 4.442 -3.665 -3.211 471 HG22 VAL 66 1HG2 VAL 66 6.156 -3.347 -3.482 472 HG23 VAL 66 2HG2 VAL 66 5.300 -4.497 -4.509 473 H SER 67 H SER 67 3.334 -6.742 -0.261 474 HA SER 67 HA SER 67 5.435 -8.375 1.000 475 HB2 SER 67 1HB SER 67 2.976 -7.194 2.192 476 HB3 SER 67 2HB SER 67 3.418 -8.823 2.702 477 HG SER 67 HG SER 67 5.444 -6.916 2.643 478 H SER 68 H SER 68 4.278 -10.531 1.813 479 HA SER 68 HA SER 68 2.817 -11.579 -0.521 480 HB2 SER 68 1HB SER 68 3.763 -13.804 0.156 481 HB3 SER 68 2HB SER 68 4.979 -12.627 -0.338 482 HG SER 68 HG SER 68 4.588 -12.351 2.270 483 H ASP 69 H ASP 69 0.917 -12.611 -0.236 484 HA ASP 69 HA ASP 69 -0.452 -12.304 2.243 485 HB2 ASP 69 1HB ASP 69 -1.448 -12.291 -0.125 486 HB3 ASP 69 2HB ASP 69 -1.375 -14.048 -0.033 487 H ARG 70 H ARG 70 -1.685 -14.205 3.209 488 HA ARG 70 HA ARG 70 0.244 -16.356 3.699 489 HB2 ARG 70 1HB ARG 70 -2.260 -15.790 5.279 490 HB3 ARG 70 2HB ARG 70 -0.861 -16.735 5.770 491 HG2 ARG 70 1HG ARG 70 -0.776 -13.776 5.239 492 HG3 ARG 70 2HG ARG 70 -1.036 -14.488 6.832 493 HD2 ARG 70 1HD ARG 70 1.235 -14.164 6.874 494 HD3 ARG 70 2HD ARG 70 1.149 -15.813 6.256 495 HE ARG 70 HE ARG 70 1.184 -13.822 4.190 496 HH11 ARG 70 2HH1 ARG 70 3.142 -15.750 6.327 497 HH12 ARG 70 1HH1 ARG 70 4.544 -15.686 5.311 498 HH21 ARG 70 1HH2 ARG 70 4.476 -14.535 3.331 499 HH22 ARG 70 2HH2 ARG 70 3.024 -13.730 2.844 500 H ARG 71 H ARG 71 -2.221 -15.844 1.668 501 HA ARG 71 HA ARG 71 -3.184 -18.625 1.837 502 HB2 ARG 71 1HB ARG 71 -4.604 -16.196 0.729 503 HB3 ARG 71 2HB ARG 71 -5.225 -17.841 0.675 504 HG2 ARG 71 1HG ARG 71 -4.864 -17.707 3.278 505 HG3 ARG 71 2HG ARG 71 -4.990 -15.973 2.972 506 HD2 ARG 71 1HD ARG 71 -7.192 -16.490 3.335 507 HD3 ARG 71 2HD ARG 71 -7.100 -16.699 1.586 508 HE ARG 71 HE ARG 71 -6.538 -19.126 2.962 509 HH11 ARG 71 2HH1 ARG 71 -9.129 -17.028 1.959 510 HH12 ARG 71 1HH1 ARG 71 -10.309 -18.295 1.903 511 HH21 ARG 71 1HH2 ARG 71 -9.713 -20.442 2.436 512 HH22 ARG 71 2HH2 ARG 71 -8.082 -20.803 2.893 513 H THR 72 H THR 72 -2.506 -15.978 -0.443 514 HA THR 72 HA THR 72 -1.954 -18.001 -2.510 515 HB THR 72 HB THR 72 -2.499 -16.432 -4.186 516 HG1 THR 72 1HG THR 72 -3.035 -14.186 -3.449 517 HG21 THR 72 3HG2 THR 72 -4.362 -16.437 -1.855 518 HG22 THR 72 1HG2 THR 72 -4.561 -17.151 -3.455 519 HG23 THR 72 2HG2 THR 72 -4.730 -15.409 -3.239 520 H GLY 73 H GLY 73 -0.506 -15.758 -0.446 521 HA2 GLY 73 1HA GLY 73 1.652 -15.006 -0.236 522 HA3 GLY 73 2HA GLY 73 2.101 -16.309 -1.327 523 H LYS 74 H LYS 74 -0.200 -14.269 -2.702 524 HA LYS 74 HA LYS 74 1.589 -13.358 -4.705 525 HB2 LYS 74 1HB LYS 74 -1.194 -12.361 -4.069 526 HB3 LYS 74 2HB LYS 74 -0.321 -12.108 -5.574 527 HG2 LYS 74 1HG LYS 74 -0.792 -14.895 -4.644 528 HG3 LYS 74 2HG LYS 74 -2.129 -13.990 -5.356 529 HD2 LYS 74 1HD LYS 74 -0.868 -13.627 -7.378 530 HD3 LYS 74 2HD LYS 74 0.564 -14.369 -6.662 531 HE2 LYS 74 1HE LYS 74 -0.282 -16.101 -7.928 532 HE3 LYS 74 2HE LYS 74 -0.995 -16.430 -6.350 533 HZ1 LYS 74 3HZ LYS 74 -2.346 -15.023 -8.591 534 HZ2 LYS 74 1HZ LYS 74 -3.030 -15.360 -7.080 535 HZ3 LYS 74 2HZ LYS 74 -2.624 -16.626 -8.125 536 HA PRO 75 HA PRO 75 3.165 -9.624 -3.012 537 HB2 PRO 75 2HB PRO 75 4.503 -9.494 -4.875 538 HB3 PRO 75 1HB PRO 75 3.447 -8.129 -5.261 539 HG2 PRO 75 1HG PRO 75 2.148 -9.383 -6.720 540 HG3 PRO 75 2HG PRO 75 3.723 -10.161 -6.962 541 HD2 PRO 75 1HD PRO 75 1.511 -11.544 -6.234 542 HD3 PRO 75 2HD PRO 75 3.143 -12.009 -5.711 543 H ILE 76 H ILE 76 1.538 -8.746 -1.760 544 HA ILE 76 HA ILE 76 -0.365 -6.965 -3.133 545 HB ILE 76 HB ILE 76 -1.768 -7.130 -1.107 546 HG12 ILE 76 1HG1 ILE 76 -0.112 -9.457 -0.200 547 HG13 ILE 76 2HG1 ILE 76 0.340 -7.828 0.287 548 HG21 ILE 76 1HG2 ILE 76 -1.066 -9.532 -2.726 549 HG22 ILE 76 2HG2 ILE 76 -2.232 -9.688 -1.414 550 HG23 ILE 76 3HG2 ILE 76 -2.536 -8.559 -2.733 551 HD11 ILE 76 3HD1 ILE 76 -1.339 -7.672 1.754 552 HD12 ILE 76 1HD1 ILE 76 -2.485 -8.484 0.689 553 HD13 ILE 76 2HD1 ILE 76 -1.351 -9.432 1.652 554 H ALA 77 H ALA 77 -1.024 -5.034 -1.830 555 HA ALA 77 HA ALA 77 1.374 -3.746 -0.783 556 HB1 ALA 77 3HB ALA 77 -0.901 -2.882 -2.275 557 HB2 ALA 77 1HB ALA 77 -0.797 -1.944 -0.784 558 HB3 ALA 77 2HB ALA 77 0.576 -1.998 -1.890 559 H VAL 78 H VAL 78 1.464 -2.708 1.227 560 HA VAL 78 HA VAL 78 -0.741 -3.051 3.091 561 HB VAL 78 HB VAL 78 0.694 -4.104 4.809 562 HG11 VAL 78 1HG1 VAL 78 -0.812 -5.359 3.141 563 HG12 VAL 78 2HG1 VAL 78 0.700 -5.878 2.393 564 HG13 VAL 78 3HG1 VAL 78 0.360 -6.289 4.075 565 HG21 VAL 78 3HG2 VAL 78 2.900 -4.070 4.514 566 HG22 VAL 78 1HG2 VAL 78 2.691 -5.326 3.293 567 HG23 VAL 78 2HG2 VAL 78 2.724 -3.629 2.815 568 H LYS 79 H LYS 79 -0.447 -1.857 5.080 569 HA LYS 79 HA LYS 79 -0.001 0.103 6.155 570 HB2 LYS 79 1HB LYS 79 2.828 -0.471 5.256 571 HB3 LYS 79 2HB LYS 79 2.348 0.554 6.602 572 HG2 LYS 79 1HG LYS 79 1.613 -1.289 7.875 573 HG3 LYS 79 2HG LYS 79 1.677 -2.371 6.481 574 HD2 LYS 79 1HD LYS 79 4.144 -0.990 7.483 575 HD3 LYS 79 2HD LYS 79 3.576 -2.489 8.222 576 HE2 LYS 79 1HE LYS 79 3.978 -3.732 6.320 577 HE3 LYS 79 2HE LYS 79 3.872 -2.331 5.255 578 HZ1 LYS 79 3HZ LYS 79 6.152 -3.423 6.618 579 HZ2 LYS 79 1HZ LYS 79 5.997 -1.752 6.828 580 HZ3 LYS 79 2HZ LYS 79 6.085 -2.404 5.270 581 H LEU 80 H LEU 80 -1.017 0.584 3.682 582 HA LEU 80 HA LEU 80 0.504 2.192 1.971 583 HB2 LEU 80 1HB LEU 80 -2.067 1.237 2.019 584 HB3 LEU 80 2HB LEU 80 -2.302 2.973 2.206 585 HG LEU 80 HG LEU 80 -0.595 2.943 0.115 586 HD11 LEU 80 1HD1 LEU 80 -0.923 0.329 0.301 587 HD12 LEU 80 2HD1 LEU 80 -0.797 1.138 -1.261 588 HD13 LEU 80 3HD1 LEU 80 -2.380 0.689 -0.627 589 HD21 LEU 80 3HD2 LEU 80 -3.030 3.868 0.530 590 HD22 LEU 80 1HD2 LEU 80 -3.473 2.499 -0.491 591 HD23 LEU 80 2HD2 LEU 80 -2.364 3.730 -1.098 592 H VAL 81 H VAL 81 0.552 4.471 1.691 593 HA VAL 81 HA VAL 81 -0.492 6.222 3.714 594 HB VAL 81 HB VAL 81 1.770 7.136 4.342 595 HG11 VAL 81 1HG1 VAL 81 1.995 5.709 6.174 596 HG12 VAL 81 2HG1 VAL 81 0.305 5.521 5.701 597 HG13 VAL 81 3HG1 VAL 81 1.489 4.293 5.252 598 HG21 VAL 81 3HG2 VAL 81 3.222 6.277 2.712 599 HG22 VAL 81 1HG2 VAL 81 3.625 5.387 4.180 600 HG23 VAL 81 2HG2 VAL 81 2.635 4.628 2.933 601 H LYS 82 H LYS 82 -1.077 7.986 2.652 602 HA LYS 82 HA LYS 82 -0.362 8.549 0.004 603 HB2 LYS 82 1HB LYS 82 -2.343 9.399 1.544 604 HB3 LYS 82 2HB LYS 82 -1.256 10.758 1.802 605 HG2 LYS 82 1HG LYS 82 -1.457 11.508 -0.337 606 HG3 LYS 82 2HG LYS 82 -1.752 9.896 -0.993 607 HD2 LYS 82 1HD LYS 82 -4.005 9.910 -0.240 608 HD3 LYS 82 2HD LYS 82 -3.736 11.349 0.746 609 HE2 LYS 82 1HE LYS 82 -3.534 12.730 -1.173 610 HE3 LYS 82 2HE LYS 82 -3.435 11.337 -2.249 611 HZ1 LYS 82 3HZ LYS 82 -5.838 11.465 -0.645 612 HZ2 LYS 82 1HZ LYS 82 -5.649 11.108 -2.287 613 HZ3 LYS 82 2HZ LYS 82 -5.677 12.718 -1.771 614 H ILE 83 H ILE 83 1.329 9.547 -0.882 615 HA ILE 83 HA ILE 83 3.572 10.308 0.660 616 HB ILE 83 HB ILE 83 3.136 11.202 -2.175 617 HG12 ILE 83 1HG1 ILE 83 3.709 8.433 -1.140 618 HG13 ILE 83 2HG1 ILE 83 2.504 8.933 -2.322 619 HG21 ILE 83 1HG2 ILE 83 5.689 10.097 -1.149 620 HG22 ILE 83 2HG2 ILE 83 5.398 11.402 -2.298 621 HG23 ILE 83 3HG2 ILE 83 5.194 11.687 -0.570 622 HD11 ILE 83 3HD1 ILE 83 5.346 8.290 -2.670 623 HD12 ILE 83 1HD1 ILE 83 3.989 8.102 -3.780 624 HD13 ILE 83 2HD1 ILE 83 4.760 9.677 -3.588 625 H SER 84 H SER 84 1.299 12.261 -1.270 626 HA SER 84 HA SER 84 1.737 14.493 0.568 627 HB2 SER 84 1HB SER 84 3.257 14.656 -1.503 628 HB3 SER 84 2HB SER 84 1.777 14.970 -2.408 629 HG SER 84 HG SER 84 1.479 16.631 -0.602 630 H GLY 85 H GLY 85 -0.224 14.953 1.312 631 HA2 GLY 85 1HA GLY 85 -2.331 15.746 -0.439 632 HA3 GLY 85 2HA GLY 85 -2.652 14.166 0.263 633 HA PRO 86 HA PRO 86 -3.082 17.869 3.401 634 HB2 PRO 86 2HB PRO 86 -3.379 19.756 2.125 635 HB3 PRO 86 1HB PRO 86 -5.086 19.440 2.459 636 HG2 PRO 86 1HG PRO 86 -5.432 18.426 0.399 637 HG3 PRO 86 2HG PRO 86 -4.198 19.619 -0.047 638 HD2 PRO 86 1HD PRO 86 -3.898 16.968 -0.513 639 HD3 PRO 86 2HD PRO 86 -2.526 18.036 -0.153 640 H SER 87 H SER 87 -4.808 18.061 4.931 641 HA SER 87 HA SER 87 -6.503 15.767 5.008 642 HB2 SER 87 1HB SER 87 -7.365 16.825 7.126 643 HB3 SER 87 2HB SER 87 -5.617 16.593 7.084 644 HG SER 87 HG SER 87 -6.950 18.845 7.467 645 H SER 88 H SER 88 -7.116 19.256 4.703 646 HA SER 88 HA SER 88 -9.739 18.599 3.538 647 HB2 SER 88 1HB SER 88 -10.687 20.592 4.605 648 HB3 SER 88 2HB SER 88 -10.032 19.493 5.819 649 HG SER 88 HG SER 88 -9.127 22.003 5.006 650 H GLY 89 H GLY 89 -10.611 20.319 2.128 651 HA2 GLY 89 1HA GLY 89 -9.823 22.524 1.069 652 HA3 GLY 89 2HA GLY 89 -8.411 21.576 0.625 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -2.257 12.404 19.836 2 HA2 GLY 1 1HA GLY 1 -1.329 10.496 21.840 3 HA3 GLY 1 2HA GLY 1 -1.916 9.823 20.326 4 H SER 2 H SER 2 0.774 9.770 21.540 5 HA SER 2 HA SER 2 2.669 11.419 20.575 6 HB2 SER 2 1HB SER 2 2.608 8.445 20.879 7 HB3 SER 2 2HB SER 2 4.007 9.187 20.104 8 HG SER 2 HG SER 2 4.570 10.101 21.950 9 H SER 3 H SER 3 3.919 11.625 18.683 10 HA SER 3 HA SER 3 2.513 10.763 16.245 11 HB2 SER 3 1HB SER 3 3.812 12.685 15.179 12 HB3 SER 3 2HB SER 3 2.544 13.137 16.317 13 HG SER 3 HG SER 3 5.293 13.403 16.518 14 H GLY 4 H GLY 4 5.385 10.427 18.049 15 HA2 GLY 4 1HA GLY 4 6.726 8.455 17.327 16 HA3 GLY 4 2HA GLY 4 6.716 9.177 15.725 17 H SER 5 H SER 5 8.507 8.771 18.474 18 HA SER 5 HA SER 5 9.801 11.281 18.706 19 HB2 SER 5 1HB SER 5 9.775 9.148 20.287 20 HB3 SER 5 2HB SER 5 11.248 8.761 19.398 21 HG SER 5 HG SER 5 10.764 11.232 20.706 22 H SER 6 H SER 6 10.209 11.823 16.488 23 HA SER 6 HA SER 6 11.662 10.389 14.643 24 HB2 SER 6 1HB SER 6 10.537 12.611 14.270 25 HB3 SER 6 2HB SER 6 11.918 13.375 15.055 26 HG SER 6 HG SER 6 12.401 13.402 12.925 27 H GLY 7 H GLY 7 13.863 10.348 14.028 28 HA2 GLY 7 1HA GLY 7 16.069 11.509 14.954 29 HA3 GLY 7 2HA GLY 7 15.670 10.468 16.312 30 H GLY 8 H GLY 8 17.114 10.666 13.226 31 HA2 GLY 8 1HA GLY 8 18.747 9.027 12.587 32 HA3 GLY 8 2HA GLY 8 17.778 7.803 13.393 33 H TYR 9 H TYR 9 15.271 8.368 12.331 34 HA TYR 9 HA TYR 9 15.335 6.943 9.929 35 HB2 TYR 9 1HB TYR 9 13.274 8.462 11.436 36 HB3 TYR 9 2HB TYR 9 12.929 8.115 9.745 37 HD1 TYR 9 2HD TYR 9 14.480 6.190 12.557 38 HD2 TYR 9 1HD TYR 9 11.518 6.315 9.505 39 HE1 TYR 9 2HE TYR 9 13.756 3.922 13.175 40 HE2 TYR 9 1HE TYR 9 10.784 4.048 10.116 41 HH TYR 9 HH TYR 9 10.954 2.407 11.646 42 HA PRO 10 HA PRO 10 13.525 6.994 8.218 43 HB2 PRO 10 2HB PRO 10 12.948 7.603 6.079 44 HB3 PRO 10 1HB PRO 10 14.182 6.414 5.648 45 HG2 PRO 10 1HG PRO 10 15.804 8.037 5.292 46 HG3 PRO 10 2HG PRO 10 14.357 8.929 4.788 47 HD2 PRO 10 1HD PRO 10 16.044 9.847 6.696 48 HD3 PRO 10 2HD PRO 10 14.300 10.179 6.724 49 H ASN 11 H ASN 11 14.088 4.927 8.628 50 HA ASN 11 HA ASN 11 16.817 4.052 7.992 51 HB2 ASN 11 1HB ASN 11 15.475 4.051 10.677 52 HB3 ASN 11 2HB ASN 11 16.683 2.829 10.294 53 HD21 ASN 11 2HD2 ASN 11 18.347 5.674 11.949 54 HD22 ASN 11 1HD2 ASN 11 17.077 4.574 12.349 55 H GLY 12 H GLY 12 16.650 2.331 6.723 56 HA2 GLY 12 1HA GLY 12 14.248 0.735 6.662 57 HA3 GLY 12 2HA GLY 12 15.675 0.517 5.659 58 H THR 13 H THR 13 15.196 0.470 9.186 59 HA THR 13 HA THR 13 17.005 -1.315 9.989 60 HB THR 13 HB THR 13 15.349 -2.195 11.676 61 HG1 THR 13 1HG THR 13 13.438 -0.362 11.162 62 HG21 THR 13 3HG2 THR 13 14.810 0.278 12.483 63 HG22 THR 13 1HG2 THR 13 15.967 0.676 11.214 64 HG23 THR 13 2HG2 THR 13 16.443 -0.383 12.541 65 H SER 14 H SER 14 13.786 -2.346 8.843 66 HA SER 14 HA SER 14 14.641 -5.098 8.676 67 HB2 SER 14 1HB SER 14 12.309 -4.377 9.324 68 HB3 SER 14 2HB SER 14 12.062 -3.903 7.644 69 HG SER 14 HG SER 14 12.138 -5.981 7.027 70 H ALA 15 H ALA 15 14.437 -6.365 6.693 71 HA ALA 15 HA ALA 15 15.863 -5.184 4.547 72 HB1 ALA 15 3HB ALA 15 15.638 -7.323 3.445 73 HB2 ALA 15 1HB ALA 15 16.019 -7.571 5.149 74 HB3 ALA 15 2HB ALA 15 14.369 -7.804 4.571 75 H ALA 16 H ALA 16 12.628 -5.014 5.371 76 HA ALA 16 HA ALA 16 11.277 -5.212 2.941 77 HB1 ALA 16 3HB ALA 16 10.005 -5.070 4.934 78 HB2 ALA 16 1HB ALA 16 10.734 -3.525 5.372 79 HB3 ALA 16 2HB ALA 16 9.631 -3.623 3.998 80 H LEU 17 H LEU 17 10.198 -3.238 1.871 81 HA LEU 17 HA LEU 17 11.817 -0.853 1.740 82 HB2 LEU 17 1HB LEU 17 13.087 -2.283 0.276 83 HB3 LEU 17 2HB LEU 17 11.629 -2.742 -0.600 84 HG LEU 17 HG LEU 17 13.326 -0.982 -1.576 85 HD11 LEU 17 1HD1 LEU 17 11.000 0.224 -2.349 86 HD12 LEU 17 2HD1 LEU 17 10.438 -1.355 -1.800 87 HD13 LEU 17 3HD1 LEU 17 11.672 -1.246 -3.055 88 HD21 LEU 17 3HD2 LEU 17 11.452 0.914 -0.225 89 HD22 LEU 17 1HD2 LEU 17 13.018 1.226 -0.973 90 HD23 LEU 17 2HD2 LEU 17 12.935 0.406 0.586 91 H ARG 18 H ARG 18 10.394 0.743 1.659 92 HA ARG 18 HA ARG 18 7.675 0.330 0.902 93 HB2 ARG 18 1HB ARG 18 9.137 2.928 1.410 94 HB3 ARG 18 2HB ARG 18 7.392 2.711 1.365 95 HG2 ARG 18 1HG ARG 18 9.203 1.346 3.342 96 HG3 ARG 18 2HG ARG 18 8.362 2.866 3.651 97 HD2 ARG 18 1HD ARG 18 6.787 0.528 2.694 98 HD3 ARG 18 2HD ARG 18 7.327 0.551 4.372 99 HE ARG 18 HE ARG 18 5.321 2.244 3.161 100 HH11 ARG 18 2HH1 ARG 18 7.478 1.751 5.848 101 HH12 ARG 18 1HH1 ARG 18 6.577 2.765 6.926 102 HH21 ARG 18 1HH2 ARG 18 4.670 3.805 6.198 103 HH22 ARG 18 2HH2 ARG 18 4.126 3.582 4.570 104 H GLU 19 H GLU 19 6.870 0.339 -1.082 105 HA GLU 19 HA GLU 19 8.409 1.622 -3.228 106 HB2 GLU 19 1HB GLU 19 6.159 -0.384 -3.456 107 HB3 GLU 19 2HB GLU 19 7.174 0.202 -4.767 108 HG2 GLU 19 1HG GLU 19 8.422 -1.152 -2.422 109 HG3 GLU 19 2HG GLU 19 7.643 -2.109 -3.680 110 H THR 20 H THR 20 7.311 2.861 -4.841 111 HA THR 20 HA THR 20 4.795 4.063 -3.884 112 HB THR 20 HB THR 20 5.472 6.195 -4.785 113 HG1 THR 20 1HG THR 20 7.044 6.351 -6.199 114 HG21 THR 20 3HG2 THR 20 7.664 4.946 -3.125 115 HG22 THR 20 1HG2 THR 20 6.216 5.753 -2.522 116 HG23 THR 20 2HG2 THR 20 7.451 6.679 -3.375 117 H GLY 21 H GLY 21 3.187 4.467 -5.367 118 HA2 GLY 21 1HA GLY 21 3.701 3.984 -8.197 119 HA3 GLY 21 2HA GLY 21 2.598 2.869 -7.405 120 H VAL 22 H VAL 22 0.665 3.374 -8.253 121 HA VAL 22 HA VAL 22 -0.451 5.974 -7.601 122 HB VAL 22 HB VAL 22 0.572 6.190 -9.900 123 HG11 VAL 22 1HG1 VAL 22 0.207 4.106 -10.905 124 HG12 VAL 22 2HG1 VAL 22 -1.506 4.101 -10.479 125 HG13 VAL 22 3HG1 VAL 22 -0.910 5.193 -11.729 126 HG21 VAL 22 3HG2 VAL 22 -1.063 7.777 -9.305 127 HG22 VAL 22 1HG2 VAL 22 -1.554 7.177 -10.889 128 HG23 VAL 22 2HG2 VAL 22 -2.370 6.600 -9.436 129 H ILE 23 H ILE 23 -2.690 5.978 -7.450 130 HA ILE 23 HA ILE 23 -3.895 3.391 -7.089 131 HB ILE 23 HB ILE 23 -5.128 6.139 -6.862 132 HG12 ILE 23 1HG1 ILE 23 -3.191 5.547 -5.307 133 HG13 ILE 23 2HG1 ILE 23 -4.695 6.040 -4.536 134 HG21 ILE 23 1HG2 ILE 23 -6.137 3.495 -5.823 135 HG22 ILE 23 2HG2 ILE 23 -6.924 5.063 -5.659 136 HG23 ILE 23 3HG2 ILE 23 -6.757 4.323 -7.251 137 HD11 ILE 23 3HD1 ILE 23 -5.051 4.007 -3.627 138 HD12 ILE 23 1HD1 ILE 23 -4.326 3.147 -4.985 139 HD13 ILE 23 2HD1 ILE 23 -3.296 3.910 -3.772 140 H GLU 24 H GLU 24 -4.166 2.391 -9.047 141 HA GLU 24 HA GLU 24 -5.219 3.702 -11.345 142 HB2 GLU 24 1HB GLU 24 -3.780 1.539 -11.174 143 HB3 GLU 24 2HB GLU 24 -5.324 0.730 -10.944 144 HG2 GLU 24 1HG GLU 24 -4.577 0.676 -13.273 145 HG3 GLU 24 2HG GLU 24 -6.108 1.528 -13.080 146 H LYS 25 H LYS 25 -6.598 1.476 -8.948 147 HA LYS 25 HA LYS 25 -9.264 2.466 -9.673 148 HB2 LYS 25 1HB LYS 25 -8.505 0.059 -10.558 149 HB3 LYS 25 2HB LYS 25 -9.024 -0.408 -8.944 150 HG2 LYS 25 1HG LYS 25 -10.868 1.302 -10.500 151 HG3 LYS 25 2HG LYS 25 -10.666 -0.367 -11.038 152 HD2 LYS 25 1HD LYS 25 -11.383 -1.220 -8.943 153 HD3 LYS 25 2HD LYS 25 -11.282 0.370 -8.184 154 HE2 LYS 25 1HE LYS 25 -13.585 -0.083 -8.584 155 HE3 LYS 25 2HE LYS 25 -13.077 1.134 -9.754 156 HZ1 LYS 25 3HZ LYS 25 -13.744 -1.695 -10.192 157 HZ2 LYS 25 1HZ LYS 25 -12.665 -0.928 -11.246 158 HZ3 LYS 25 2HZ LYS 25 -14.236 -0.331 -11.062 159 H LEU 26 H LEU 26 -10.843 2.282 -7.991 160 HA LEU 26 HA LEU 26 -9.888 1.539 -5.340 161 HB2 LEU 26 1HB LEU 26 -9.448 4.026 -5.878 162 HB3 LEU 26 2HB LEU 26 -11.192 4.211 -5.708 163 HG LEU 26 HG LEU 26 -10.741 3.037 -3.385 164 HD11 LEU 26 1HD1 LEU 26 -8.583 3.917 -2.459 165 HD12 LEU 26 2HD1 LEU 26 -8.090 4.260 -4.116 166 HD13 LEU 26 3HD1 LEU 26 -8.417 2.600 -3.620 167 HD21 LEU 26 3HD2 LEU 26 -11.757 5.204 -3.608 168 HD22 LEU 26 1HD2 LEU 26 -10.205 5.936 -4.018 169 HD23 LEU 26 2HD2 LEU 26 -10.478 5.299 -2.396 170 H LEU 27 H LEU 27 -11.459 0.718 -4.065 171 HA LEU 27 HA LEU 27 -14.248 1.025 -4.957 172 HB2 LEU 27 1HB LEU 27 -13.042 -1.501 -3.845 173 HB3 LEU 27 2HB LEU 27 -14.686 -1.284 -4.442 174 HG LEU 27 HG LEU 27 -13.449 -0.705 -6.689 175 HD11 LEU 27 1HD1 LEU 27 -11.471 -2.619 -5.491 176 HD12 LEU 27 2HD1 LEU 27 -11.210 -0.876 -5.495 177 HD13 LEU 27 3HD1 LEU 27 -11.373 -1.746 -7.020 178 HD21 LEU 27 3HD2 LEU 27 -13.426 -3.227 -7.161 179 HD22 LEU 27 1HD2 LEU 27 -14.952 -2.489 -6.673 180 HD23 LEU 27 2HD2 LEU 27 -14.000 -3.404 -5.502 181 H THR 28 H THR 28 -15.635 -0.171 -3.050 182 HA THR 28 HA THR 28 -15.250 1.558 -0.778 183 HB THR 28 HB THR 28 -17.319 -0.618 -1.128 184 HG1 THR 28 1HG THR 28 -17.080 1.412 -2.652 185 HG21 THR 28 3HG2 THR 28 -17.975 -0.048 0.922 186 HG22 THR 28 1HG2 THR 28 -18.264 1.597 0.356 187 HG23 THR 28 2HG2 THR 28 -16.691 1.158 1.022 188 H SER 29 H SER 29 -14.600 -1.748 -1.583 189 HA SER 29 HA SER 29 -14.110 -2.451 1.212 190 HB2 SER 29 1HB SER 29 -15.307 -4.145 0.038 191 HB3 SER 29 2HB SER 29 -14.193 -4.082 -1.328 192 HG SER 29 HG SER 29 -13.530 -5.810 -0.189 193 H TYR 30 H TYR 30 -12.428 -2.047 -1.855 194 HA TYR 30 HA TYR 30 -9.954 -1.514 -0.515 195 HB2 TYR 30 1HB TYR 30 -8.813 -3.395 -1.964 196 HB3 TYR 30 2HB TYR 30 -9.486 -3.768 -0.382 197 HD1 TYR 30 1HD TYR 30 -10.673 -3.576 -3.927 198 HD2 TYR 30 2HD TYR 30 -10.729 -5.699 -0.241 199 HE1 TYR 30 1HE TYR 30 -12.100 -5.299 -4.949 200 HE2 TYR 30 2HE TYR 30 -12.154 -7.429 -1.252 201 HH TYR 30 HH TYR 30 -13.870 -7.434 -3.300 202 H GLY 31 H GLY 31 -8.126 -1.608 -2.415 203 HA2 GLY 31 1HA GLY 31 -9.236 -0.610 -4.923 204 HA3 GLY 31 2HA GLY 31 -8.291 0.529 -3.975 205 H PHE 32 H PHE 32 -7.574 -0.188 -6.559 206 HA PHE 32 HA PHE 32 -5.286 -1.993 -6.178 207 HB2 PHE 32 1HB PHE 32 -6.641 -1.055 -8.715 208 HB3 PHE 32 2HB PHE 32 -5.219 -2.092 -8.665 209 HD1 PHE 32 2HD PHE 32 -8.733 -1.908 -7.460 210 HD2 PHE 32 1HD PHE 32 -5.472 -4.388 -8.614 211 HE1 PHE 32 2HE PHE 32 -10.187 -3.887 -7.305 212 HE2 PHE 32 1HE PHE 32 -6.921 -6.371 -8.462 213 HZ PHE 32 HZ PHE 32 -9.282 -6.122 -7.806 214 H ILE 33 H ILE 33 -3.215 -1.386 -6.907 215 HA ILE 33 HA ILE 33 -2.854 1.487 -7.435 216 HB ILE 33 HB ILE 33 -1.275 -0.219 -5.514 217 HG12 ILE 33 1HG1 ILE 33 -2.436 2.474 -4.915 218 HG13 ILE 33 2HG1 ILE 33 -3.497 1.069 -4.932 219 HG21 ILE 33 1HG2 ILE 33 -0.249 2.325 -5.343 220 HG22 ILE 33 2HG2 ILE 33 0.513 0.956 -6.149 221 HG23 ILE 33 3HG2 ILE 33 -0.460 2.096 -7.079 222 HD11 ILE 33 3HD1 ILE 33 -2.933 1.039 -2.749 223 HD12 ILE 33 1HD1 ILE 33 -1.568 0.110 -3.369 224 HD13 ILE 33 2HD1 ILE 33 -1.380 1.829 -3.023 225 H GLN 34 H GLN 34 -2.025 1.680 -9.403 226 HA GLN 34 HA GLN 34 -0.566 -0.446 -10.664 227 HB2 GLN 34 1HB GLN 34 -2.028 0.901 -12.023 228 HB3 GLN 34 2HB GLN 34 -1.200 2.375 -11.537 229 HG2 GLN 34 1HG GLN 34 -0.198 2.101 -13.534 230 HG3 GLN 34 2HG GLN 34 0.869 1.064 -12.589 231 HE21 GLN 34 2HE2 GLN 34 -0.004 -1.868 -14.219 232 HE22 GLN 34 1HE2 GLN 34 0.898 -1.095 -12.964 233 H CYS 35 H CYS 35 1.409 -0.830 -9.826 234 HA CYS 35 HA CYS 35 3.150 0.987 -8.671 235 HB2 CYS 35 1HB CYS 35 3.501 -1.687 -9.962 236 HB3 CYS 35 2HB CYS 35 4.934 -0.759 -9.535 237 HG CYS 35 HG CYS 35 2.535 -1.315 -7.189 238 H SER 36 H SER 36 4.955 2.125 -9.404 239 HA SER 36 HA SER 36 4.937 2.691 -12.294 240 HB2 SER 36 1HB SER 36 5.553 4.428 -9.910 241 HB3 SER 36 2HB SER 36 6.090 4.866 -11.532 242 HG SER 36 HG SER 36 3.975 5.701 -10.807 243 H GLU 37 H GLU 37 6.653 1.100 -9.965 244 HA GLU 37 HA GLU 37 9.257 1.649 -11.208 245 HB2 GLU 37 1HB GLU 37 8.524 0.342 -8.587 246 HB3 GLU 37 2HB GLU 37 10.161 0.377 -9.226 247 HG2 GLU 37 1HG GLU 37 8.749 2.965 -9.023 248 HG3 GLU 37 2HG GLU 37 9.230 2.189 -7.515 249 H ARG 38 H ARG 38 7.057 -0.977 -10.330 250 HA ARG 38 HA ARG 38 8.689 -2.857 -11.880 251 HB2 ARG 38 1HB ARG 38 7.326 -4.612 -10.838 252 HB3 ARG 38 2HB ARG 38 8.072 -3.575 -9.629 253 HG2 ARG 38 1HG ARG 38 5.989 -2.414 -9.276 254 HG3 ARG 38 2HG ARG 38 5.225 -3.332 -10.576 255 HD2 ARG 38 1HD ARG 38 4.584 -4.276 -8.455 256 HD3 ARG 38 2HD ARG 38 5.640 -5.408 -9.299 257 HE ARG 38 HE ARG 38 7.035 -3.677 -7.480 258 HH11 ARG 38 2HH1 ARG 38 5.244 -6.646 -7.795 259 HH12 ARG 38 1HH1 ARG 38 5.963 -7.380 -6.399 260 HH21 ARG 38 1HH2 ARG 38 7.523 -6.233 -5.175 261 HH22 ARG 38 2HH2 ARG 38 7.988 -4.632 -5.641 262 H GLN 39 H GLN 39 5.998 -0.882 -12.208 263 HA GLN 39 HA GLN 39 4.376 -0.666 -13.787 264 HB2 GLN 39 1HB GLN 39 6.486 -2.252 -15.164 265 HB3 GLN 39 2HB GLN 39 4.914 -2.137 -15.944 266 HG2 GLN 39 1HG GLN 39 5.056 0.270 -15.970 267 HG3 GLN 39 2HG GLN 39 6.573 0.217 -15.074 268 HE21 GLN 39 2HE2 GLN 39 8.531 -0.770 -17.843 269 HE22 GLN 39 1HE2 GLN 39 8.389 -0.861 -16.124 270 H ALA 40 H ALA 40 3.651 -2.322 -11.799 271 HA ALA 40 HA ALA 40 2.025 -4.317 -13.208 272 HB1 ALA 40 3HB ALA 40 4.113 -5.261 -11.976 273 HB2 ALA 40 1HB ALA 40 3.146 -5.000 -10.524 274 HB3 ALA 40 2HB ALA 40 2.554 -6.067 -11.799 275 H ARG 41 H ARG 41 -0.056 -4.422 -12.549 276 HA ARG 41 HA ARG 41 -1.031 -2.378 -10.803 277 HB2 ARG 41 1HB ARG 41 -2.229 -4.499 -12.508 278 HB3 ARG 41 2HB ARG 41 -3.214 -3.871 -11.194 279 HG2 ARG 41 1HG ARG 41 -3.404 -1.800 -12.136 280 HG3 ARG 41 2HG ARG 41 -1.871 -1.932 -13.000 281 HD2 ARG 41 1HD ARG 41 -4.337 -3.525 -13.680 282 HD3 ARG 41 2HD ARG 41 -3.902 -2.003 -14.457 283 HE ARG 41 HE ARG 41 -1.867 -4.060 -14.529 284 HH11 ARG 41 2HH1 ARG 41 -4.566 -2.568 -16.144 285 HH12 ARG 41 1HH1 ARG 41 -4.108 -3.135 -17.715 286 HH21 ARG 41 1HH2 ARG 41 -2.224 -4.413 -17.969 287 HH22 ARG 41 2HH2 ARG 41 -1.253 -4.813 -16.593 288 H LEU 42 H LEU 42 -0.630 -2.584 -8.683 289 HA LEU 42 HA LEU 42 -0.744 -5.177 -7.389 290 HB2 LEU 42 1HB LEU 42 0.125 -2.440 -6.620 291 HB3 LEU 42 2HB LEU 42 -0.340 -3.555 -5.337 292 HG LEU 42 HG LEU 42 1.927 -3.833 -7.299 293 HD11 LEU 42 1HD1 LEU 42 3.202 -3.106 -5.638 294 HD12 LEU 42 2HD1 LEU 42 2.522 -4.295 -4.529 295 HD13 LEU 42 3HD1 LEU 42 1.735 -2.731 -4.734 296 HD21 LEU 42 3HD2 LEU 42 2.322 -5.984 -5.914 297 HD22 LEU 42 1HD2 LEU 42 1.155 -6.016 -7.237 298 HD23 LEU 42 2HD2 LEU 42 0.595 -5.880 -5.570 299 H PHE 43 H PHE 43 -2.001 -5.480 -5.396 300 HA PHE 43 HA PHE 43 -4.578 -4.055 -5.522 301 HB2 PHE 43 1HB PHE 43 -5.283 -6.151 -6.093 302 HB3 PHE 43 2HB PHE 43 -3.926 -6.940 -5.296 303 HD1 PHE 43 2HD PHE 43 -6.436 -4.583 -3.899 304 HD2 PHE 43 1HD PHE 43 -4.888 -8.548 -3.934 305 HE1 PHE 43 2HE PHE 43 -7.893 -5.164 -2.004 306 HE2 PHE 43 1HE PHE 43 -6.344 -9.136 -2.039 307 HZ PHE 43 HZ PHE 43 -7.848 -7.443 -1.070 308 H PHE 44 H PHE 44 -4.586 -2.645 -3.887 309 HA PHE 44 HA PHE 44 -3.481 -3.460 -1.295 310 HB2 PHE 44 1HB PHE 44 -3.042 -1.251 -0.844 311 HB3 PHE 44 2HB PHE 44 -2.940 -1.217 -2.601 312 HD1 PHE 44 1HD PHE 44 -4.707 -0.204 -3.931 313 HD2 PHE 44 2HD PHE 44 -4.854 -0.193 0.322 314 HE1 PHE 44 1HE PHE 44 -6.450 1.531 -3.999 315 HE2 PHE 44 2HE PHE 44 -6.597 1.542 0.261 316 HZ PHE 44 HZ PHE 44 -7.398 2.406 -1.901 317 H HIS 45 H HIS 45 -4.693 -3.496 0.553 318 HA HIS 45 HA HIS 45 -7.589 -3.481 0.169 319 HB2 HIS 45 1HB HIS 45 -6.043 -5.288 1.420 320 HB3 HIS 45 2HB HIS 45 -6.414 -4.242 2.787 321 HD1 HIS 45 1HD HIS 45 -9.318 -3.590 2.353 322 HD2 HIS 45 2HD HIS 45 -7.740 -7.375 1.687 323 HE1 HIS 45 1HE HIS 45 -11.266 -5.170 2.524 324 HE2 HIS 45 2HE HIS 45 -10.273 -7.462 2.202 325 H CYS 46 H CYS 46 -8.977 -2.144 1.240 326 HA CYS 46 HA CYS 46 -8.199 0.404 1.947 327 HB2 CYS 46 1HB CYS 46 -10.635 -1.226 2.591 328 HB3 CYS 46 2HB CYS 46 -10.446 0.385 3.272 329 HG CYS 46 HG CYS 46 -9.825 0.631 0.090 330 H SER 47 H SER 47 -7.979 -2.484 3.783 331 HA SER 47 HA SER 47 -7.926 -1.262 6.373 332 HB2 SER 47 1HB SER 47 -8.560 -3.598 6.166 333 HB3 SER 47 2HB SER 47 -7.004 -3.989 5.434 334 HG SER 47 HG SER 47 -6.015 -3.398 7.407 335 H GLN 48 H GLN 48 -5.555 -2.075 3.932 336 HA GLN 48 HA GLN 48 -3.229 -1.881 5.484 337 HB2 GLN 48 1HB GLN 48 -3.505 -1.106 2.578 338 HB3 GLN 48 2HB GLN 48 -2.039 -1.615 3.405 339 HG2 GLN 48 1HG GLN 48 -4.446 -3.291 2.750 340 HG3 GLN 48 2HG GLN 48 -2.819 -3.433 2.086 341 HE21 GLN 48 2HE2 GLN 48 -3.698 -5.785 5.013 342 HE22 GLN 48 1HE2 GLN 48 -4.725 -5.167 3.769 343 H TYR 49 H TYR 49 -4.801 0.587 3.449 344 HA TYR 49 HA TYR 49 -3.105 2.704 3.949 345 HB2 TYR 49 1HB TYR 49 -4.963 2.738 2.310 346 HB3 TYR 49 2HB TYR 49 -6.111 2.857 3.640 347 HD1 TYR 49 2HD TYR 49 -2.851 4.606 3.354 348 HD2 TYR 49 1HD TYR 49 -7.089 4.955 3.215 349 HE1 TYR 49 2HE TYR 49 -2.642 7.056 3.310 350 HE2 TYR 49 1HE TYR 49 -6.892 7.406 3.170 351 HH TYR 49 HH TYR 49 -4.234 9.053 4.028 352 H ASN 50 H ASN 50 -2.513 3.686 5.755 353 HA ASN 50 HA ASN 50 -3.858 3.221 8.235 354 HB2 ASN 50 1HB ASN 50 -1.461 4.817 7.393 355 HB3 ASN 50 2HB ASN 50 -2.139 5.033 9.004 356 HD21 ASN 50 2HD2 ASN 50 -0.186 1.601 8.003 357 HD22 ASN 50 1HD2 ASN 50 -0.742 2.698 6.789 358 H GLY 51 H GLY 51 -3.620 5.919 5.975 359 HA2 GLY 51 1HA GLY 51 -4.868 7.868 7.584 360 HA3 GLY 51 2HA GLY 51 -4.777 7.896 5.829 361 H ASN 52 H ASN 52 -6.829 8.550 5.379 362 HA ASN 52 HA ASN 52 -8.977 6.698 6.177 363 HB2 ASN 52 1HB ASN 52 -10.441 8.862 5.874 364 HB3 ASN 52 2HB ASN 52 -9.589 8.570 7.388 365 HD21 ASN 52 2HD2 ASN 52 -9.023 11.981 5.599 366 HD22 ASN 52 1HD2 ASN 52 -10.405 10.949 5.485 367 H LEU 53 H LEU 53 -9.608 5.602 4.444 368 HA LEU 53 HA LEU 53 -9.036 5.879 1.850 369 HB2 LEU 53 1HB LEU 53 -11.432 4.863 3.257 370 HB3 LEU 53 2HB LEU 53 -11.580 5.111 1.518 371 HG LEU 53 HG LEU 53 -11.022 2.801 2.023 372 HD11 LEU 53 1HD1 LEU 53 -9.623 4.501 0.267 373 HD12 LEU 53 2HD1 LEU 53 -9.879 2.762 0.126 374 HD13 LEU 53 3HD1 LEU 53 -8.443 3.378 0.943 375 HD21 LEU 53 3HD2 LEU 53 -8.559 2.502 2.871 376 HD22 LEU 53 1HD2 LEU 53 -9.885 2.715 4.014 377 HD23 LEU 53 2HD2 LEU 53 -8.844 4.079 3.608 378 H GLN 54 H GLN 54 -11.521 7.717 3.547 379 HA GLN 54 HA GLN 54 -12.844 8.944 1.489 380 HB2 GLN 54 1HB GLN 54 -11.954 10.183 4.099 381 HB3 GLN 54 2HB GLN 54 -13.164 10.873 3.026 382 HG2 GLN 54 1HG GLN 54 -14.704 9.189 3.476 383 HG3 GLN 54 2HG GLN 54 -13.470 8.104 4.115 384 HE21 GLN 54 2HE2 GLN 54 -15.585 10.236 6.630 385 HE22 GLN 54 1HE2 GLN 54 -16.025 9.805 5.016 386 H ASP 55 H ASP 55 -9.790 10.007 2.966 387 HA ASP 55 HA ASP 55 -9.443 12.229 1.231 388 HB2 ASP 55 1HB ASP 55 -8.216 12.465 3.175 389 HB3 ASP 55 2HB ASP 55 -7.722 10.775 3.194 390 H LEU 56 H LEU 56 -8.446 8.865 1.121 391 HA LEU 56 HA LEU 56 -6.636 9.142 -1.054 392 HB2 LEU 56 1HB LEU 56 -7.017 7.208 0.698 393 HB3 LEU 56 2HB LEU 56 -8.091 6.592 -0.557 394 HG LEU 56 HG LEU 56 -6.221 6.513 -2.127 395 HD11 LEU 56 1HD1 LEU 56 -4.428 7.771 -1.799 396 HD12 LEU 56 2HD1 LEU 56 -3.998 6.762 -0.418 397 HD13 LEU 56 3HD1 LEU 56 -4.986 8.203 -0.182 398 HD21 LEU 56 3HD2 LEU 56 -4.985 5.107 0.117 399 HD22 LEU 56 1HD2 LEU 56 -5.621 4.482 -1.405 400 HD23 LEU 56 2HD2 LEU 56 -6.713 4.797 -0.056 401 H LYS 57 H LYS 57 -6.921 8.449 -3.228 402 HA LYS 57 HA LYS 57 -9.567 7.904 -4.231 403 HB2 LYS 57 1HB LYS 57 -9.455 9.879 -5.833 404 HB3 LYS 57 2HB LYS 57 -9.859 10.246 -4.161 405 HG2 LYS 57 1HG LYS 57 -7.642 11.041 -3.733 406 HG3 LYS 57 2HG LYS 57 -7.095 10.505 -5.323 407 HD2 LYS 57 1HD LYS 57 -7.442 12.756 -5.687 408 HD3 LYS 57 2HD LYS 57 -8.990 12.074 -6.193 409 HE2 LYS 57 1HE LYS 57 -10.085 12.825 -4.297 410 HE3 LYS 57 2HE LYS 57 -8.597 12.941 -3.359 411 HZ1 LYS 57 3HZ LYS 57 -9.048 14.694 -5.689 412 HZ2 LYS 57 1HZ LYS 57 -8.024 14.931 -4.362 413 HZ3 LYS 57 2HZ LYS 57 -9.698 15.087 -4.178 414 H VAL 58 H VAL 58 -9.442 7.994 -6.778 415 HA VAL 58 HA VAL 58 -7.169 6.332 -7.491 416 HB VAL 58 HB VAL 58 -9.646 7.074 -9.051 417 HG11 VAL 58 1HG1 VAL 58 -7.563 6.587 -10.414 418 HG12 VAL 58 2HG1 VAL 58 -7.651 4.945 -9.775 419 HG13 VAL 58 3HG1 VAL 58 -8.974 5.585 -10.750 420 HG21 VAL 58 3HG2 VAL 58 -8.865 4.454 -7.778 421 HG22 VAL 58 1HG2 VAL 58 -9.992 5.616 -7.077 422 HG23 VAL 58 2HG2 VAL 58 -10.379 4.822 -8.604 423 H GLY 59 H GLY 59 -5.417 7.070 -8.490 424 HA2 GLY 59 1HA GLY 59 -4.391 8.237 -10.320 425 HA3 GLY 59 2HA GLY 59 -5.666 9.442 -10.216 426 H ASP 60 H ASP 60 -4.253 8.339 -7.273 427 HA ASP 60 HA ASP 60 -2.674 10.823 -7.110 428 HB2 ASP 60 1HB ASP 60 -4.577 9.587 -5.165 429 HB3 ASP 60 2HB ASP 60 -3.185 10.466 -4.539 430 H ASP 61 H ASP 61 -0.694 10.735 -6.059 431 HA ASP 61 HA ASP 61 0.652 8.225 -6.172 432 HB2 ASP 61 1HB ASP 61 1.428 11.006 -5.359 433 HB3 ASP 61 2HB ASP 61 2.508 9.657 -5.015 434 H VAL 62 H VAL 62 1.237 6.843 -4.577 435 HA VAL 62 HA VAL 62 0.894 7.575 -1.788 436 HB VAL 62 HB VAL 62 -0.427 5.368 -1.453 437 HG11 VAL 62 1HG1 VAL 62 -2.051 6.782 -0.910 438 HG12 VAL 62 2HG1 VAL 62 -1.169 8.056 -1.754 439 HG13 VAL 62 3HG1 VAL 62 -2.390 7.113 -2.609 440 HG21 VAL 62 3HG2 VAL 62 -2.039 5.461 -3.677 441 HG22 VAL 62 1HG2 VAL 62 -0.421 5.647 -4.354 442 HG23 VAL 62 2HG2 VAL 62 -0.803 4.246 -3.352 443 H GLU 63 H GLU 63 2.153 6.383 -0.409 444 HA GLU 63 HA GLU 63 4.011 4.515 -1.693 445 HB2 GLU 63 1HB GLU 63 4.849 6.534 -0.410 446 HB3 GLU 63 2HB GLU 63 4.262 5.749 1.049 447 HG2 GLU 63 1HG GLU 63 5.734 3.754 0.119 448 HG3 GLU 63 2HG GLU 63 6.585 5.084 -0.663 449 H PHE 64 H PHE 64 4.120 2.414 -1.158 450 HA PHE 64 HA PHE 64 2.762 1.469 1.252 451 HB2 PHE 64 1HB PHE 64 1.783 -0.427 -0.167 452 HB3 PHE 64 2HB PHE 64 1.015 1.152 -0.300 453 HD1 PHE 64 1HD PHE 64 1.332 2.522 -2.305 454 HD2 PHE 64 2HD PHE 64 2.933 -1.411 -2.012 455 HE1 PHE 64 1HE PHE 64 1.652 2.474 -4.744 456 HE2 PHE 64 2HE PHE 64 3.256 -1.465 -4.450 457 HZ PHE 64 HZ PHE 64 2.617 0.480 -5.820 458 H GLU 65 H GLU 65 3.105 -1.058 1.354 459 HA GLU 65 HA GLU 65 5.899 -1.606 0.591 460 HB2 GLU 65 1HB GLU 65 6.134 -1.389 2.870 461 HB3 GLU 65 2HB GLU 65 4.495 -1.933 3.200 462 HG2 GLU 65 1HG GLU 65 5.067 -4.140 3.174 463 HG3 GLU 65 2HG GLU 65 6.423 -3.890 2.075 464 H VAL 66 H VAL 66 6.075 -3.260 -0.754 465 HA VAL 66 HA VAL 66 3.889 -5.002 -1.324 466 HB VAL 66 HB VAL 66 6.775 -5.206 -2.195 467 HG11 VAL 66 1HG1 VAL 66 4.871 -6.333 -4.020 468 HG12 VAL 66 2HG1 VAL 66 6.255 -7.098 -3.236 469 HG13 VAL 66 3HG1 VAL 66 4.687 -7.069 -2.428 470 HG21 VAL 66 3HG2 VAL 66 6.026 -4.152 -4.261 471 HG22 VAL 66 1HG2 VAL 66 4.391 -4.016 -3.611 472 HG23 VAL 66 2HG2 VAL 66 5.711 -3.105 -2.876 473 H SER 67 H SER 67 3.317 -6.746 -0.224 474 HA SER 67 HA SER 67 5.400 -8.248 1.222 475 HB2 SER 67 1HB SER 67 2.728 -7.288 2.126 476 HB3 SER 67 2HB SER 67 3.264 -8.868 2.698 477 HG SER 67 HG SER 67 4.741 -7.941 3.895 478 H SER 68 H SER 68 4.418 -10.507 1.869 479 HA SER 68 HA SER 68 3.196 -11.630 -0.567 480 HB2 SER 68 1HB SER 68 4.382 -13.750 0.040 481 HB3 SER 68 2HB SER 68 5.471 -12.415 -0.336 482 HG SER 68 HG SER 68 4.792 -13.462 2.204 483 H ASP 69 H ASP 69 1.118 -12.027 -0.182 484 HA ASP 69 HA ASP 69 -0.186 -12.264 2.212 485 HB2 ASP 69 1HB ASP 69 -1.236 -12.116 -0.073 486 HB3 ASP 69 2HB ASP 69 -0.930 -13.841 -0.256 487 H ARG 70 H ARG 70 -1.400 -14.357 2.917 488 HA ARG 70 HA ARG 70 0.632 -16.464 3.241 489 HB2 ARG 70 1HB ARG 70 -1.494 -15.409 5.082 490 HB3 ARG 70 2HB ARG 70 -0.851 -17.032 5.298 491 HG2 ARG 70 1HG ARG 70 0.216 -15.238 6.691 492 HG3 ARG 70 2HG ARG 70 1.325 -16.216 5.727 493 HD2 ARG 70 1HD ARG 70 1.811 -13.769 5.690 494 HD3 ARG 70 2HD ARG 70 1.549 -14.482 4.099 495 HE ARG 70 HE ARG 70 -0.366 -13.222 3.872 496 HH11 ARG 70 2HH1 ARG 70 0.802 -13.029 7.146 497 HH12 ARG 70 1HH1 ARG 70 -0.267 -11.740 7.590 498 HH21 ARG 70 1HH2 ARG 70 -1.735 -10.886 6.052 499 HH22 ARG 70 2HH2 ARG 70 -1.778 -11.525 4.444 500 H ARG 71 H ARG 71 -2.367 -15.741 1.879 501 HA ARG 71 HA ARG 71 -3.264 -18.529 1.913 502 HB2 ARG 71 1HB ARG 71 -4.684 -16.091 0.827 503 HB3 ARG 71 2HB ARG 71 -5.372 -17.695 1.043 504 HG2 ARG 71 1HG ARG 71 -4.471 -15.807 3.206 505 HG3 ARG 71 2HG ARG 71 -6.129 -16.266 2.811 506 HD2 ARG 71 1HD ARG 71 -5.301 -18.680 3.272 507 HD3 ARG 71 2HD ARG 71 -3.974 -17.883 4.116 508 HE ARG 71 HE ARG 71 -5.407 -17.483 5.836 509 HH11 ARG 71 2HH1 ARG 71 -7.276 -17.930 2.932 510 HH12 ARG 71 1HH1 ARG 71 -8.803 -17.820 3.742 511 HH21 ARG 71 1HH2 ARG 71 -8.880 -17.481 6.007 512 HH22 ARG 71 2HH2 ARG 71 -7.412 -17.336 6.914 513 H THR 72 H THR 72 -2.539 -15.908 -0.370 514 HA THR 72 HA THR 72 -2.359 -17.914 -2.518 515 HB THR 72 HB THR 72 -2.631 -16.075 -4.107 516 HG1 THR 72 1HG THR 72 -2.447 -14.059 -3.479 517 HG21 THR 72 3HG2 THR 72 -4.966 -15.375 -3.434 518 HG22 THR 72 1HG2 THR 72 -4.704 -16.253 -1.927 519 HG23 THR 72 2HG2 THR 72 -4.669 -17.113 -3.467 520 H GLY 73 H GLY 73 -0.546 -15.801 -0.559 521 HA2 GLY 73 1HA GLY 73 1.703 -15.342 -0.473 522 HA3 GLY 73 2HA GLY 73 1.927 -16.665 -1.608 523 H LYS 74 H LYS 74 -0.199 -14.224 -2.671 524 HA LYS 74 HA LYS 74 1.661 -13.449 -4.741 525 HB2 LYS 74 1HB LYS 74 -1.136 -12.425 -4.232 526 HB3 LYS 74 2HB LYS 74 -0.205 -12.248 -5.713 527 HG2 LYS 74 1HG LYS 74 -0.734 -14.993 -4.711 528 HG3 LYS 74 2HG LYS 74 -2.061 -14.097 -5.455 529 HD2 LYS 74 1HD LYS 74 -0.849 -13.842 -7.491 530 HD3 LYS 74 2HD LYS 74 0.634 -14.451 -6.754 531 HE2 LYS 74 1HE LYS 74 -1.772 -16.200 -6.740 532 HE3 LYS 74 2HE LYS 74 -0.907 -15.985 -8.261 533 HZ1 LYS 74 3HZ LYS 74 -0.179 -17.517 -5.962 534 HZ2 LYS 74 1HZ LYS 74 1.058 -16.461 -6.429 535 HZ3 LYS 74 2HZ LYS 74 0.438 -17.579 -7.536 536 HA PRO 75 HA PRO 75 3.139 -9.709 -2.976 537 HB2 PRO 75 2HB PRO 75 4.537 -9.551 -4.793 538 HB3 PRO 75 1HB PRO 75 3.481 -8.194 -5.203 539 HG2 PRO 75 1HG PRO 75 2.244 -9.449 -6.714 540 HG3 PRO 75 2HG PRO 75 3.833 -10.210 -6.909 541 HD2 PRO 75 1HD PRO 75 1.613 -11.619 -6.266 542 HD3 PRO 75 2HD PRO 75 3.231 -12.073 -5.693 543 H ILE 76 H ILE 76 1.646 -8.659 -1.767 544 HA ILE 76 HA ILE 76 -0.290 -6.952 -3.192 545 HB ILE 76 HB ILE 76 -1.787 -7.139 -1.272 546 HG12 ILE 76 1HG1 ILE 76 -0.093 -9.343 -0.148 547 HG13 ILE 76 2HG1 ILE 76 0.254 -7.672 0.281 548 HG21 ILE 76 1HG2 ILE 76 -2.250 -8.678 -2.992 549 HG22 ILE 76 2HG2 ILE 76 -0.886 -9.704 -2.551 550 HG23 ILE 76 3HG2 ILE 76 -2.299 -9.616 -1.500 551 HD11 ILE 76 3HD1 ILE 76 -1.391 -7.648 1.757 552 HD12 ILE 76 1HD1 ILE 76 -2.551 -8.230 0.563 553 HD13 ILE 76 2HD1 ILE 76 -1.580 -9.380 1.483 554 H ALA 77 H ALA 77 -0.996 -5.034 -1.876 555 HA ALA 77 HA ALA 77 1.375 -3.724 -0.807 556 HB1 ALA 77 3HB ALA 77 0.463 -1.774 -1.473 557 HB2 ALA 77 1HB ALA 77 -0.534 -2.823 -2.482 558 HB3 ALA 77 2HB ALA 77 -1.157 -2.226 -0.943 559 H VAL 78 H VAL 78 1.429 -2.664 1.209 560 HA VAL 78 HA VAL 78 -0.738 -3.100 3.090 561 HB VAL 78 HB VAL 78 0.742 -4.145 4.782 562 HG11 VAL 78 1HG1 VAL 78 -0.799 -5.469 3.352 563 HG12 VAL 78 2HG1 VAL 78 0.547 -5.775 2.253 564 HG13 VAL 78 3HG1 VAL 78 0.605 -6.379 3.909 565 HG21 VAL 78 3HG2 VAL 78 2.934 -4.393 4.480 566 HG22 VAL 78 1HG2 VAL 78 2.688 -5.207 2.935 567 HG23 VAL 78 2HG2 VAL 78 2.769 -3.446 3.001 568 H LYS 79 H LYS 79 -0.514 -1.878 5.040 569 HA LYS 79 HA LYS 79 -0.094 0.077 6.132 570 HB2 LYS 79 1HB LYS 79 2.768 -0.413 5.302 571 HB3 LYS 79 2HB LYS 79 2.207 0.504 6.695 572 HG2 LYS 79 1HG LYS 79 1.756 -1.361 7.920 573 HG3 LYS 79 2HG LYS 79 1.406 -2.346 6.498 574 HD2 LYS 79 1HD LYS 79 3.980 -1.946 6.033 575 HD3 LYS 79 2HD LYS 79 4.014 -1.710 7.782 576 HE2 LYS 79 1HE LYS 79 3.179 -3.889 8.183 577 HE3 LYS 79 2HE LYS 79 2.744 -4.111 6.489 578 HZ1 LYS 79 3HZ LYS 79 4.692 -5.273 6.604 579 HZ2 LYS 79 1HZ LYS 79 5.383 -4.253 7.763 580 HZ3 LYS 79 2HZ LYS 79 5.290 -3.757 6.149 581 H LEU 80 H LEU 80 -1.037 0.539 3.615 582 HA LEU 80 HA LEU 80 0.505 2.149 1.941 583 HB2 LEU 80 1HB LEU 80 -2.070 1.211 1.952 584 HB3 LEU 80 2HB LEU 80 -2.299 2.948 2.141 585 HG LEU 80 HG LEU 80 -0.564 2.912 0.072 586 HD11 LEU 80 1HD1 LEU 80 -0.724 1.102 -1.284 587 HD12 LEU 80 2HD1 LEU 80 -2.351 0.695 -0.740 588 HD13 LEU 80 3HD1 LEU 80 -0.959 0.288 0.263 589 HD21 LEU 80 3HD2 LEU 80 -2.471 3.359 -1.340 590 HD22 LEU 80 1HD2 LEU 80 -2.721 4.102 0.240 591 HD23 LEU 80 2HD2 LEU 80 -3.555 2.603 -0.171 592 H VAL 81 H VAL 81 0.580 4.425 1.662 593 HA VAL 81 HA VAL 81 -0.446 6.159 3.730 594 HB VAL 81 HB VAL 81 2.025 7.092 3.963 595 HG11 VAL 81 1HG1 VAL 81 1.486 4.685 5.623 596 HG12 VAL 81 2HG1 VAL 81 1.987 6.307 6.108 597 HG13 VAL 81 3HG1 VAL 81 0.311 6.000 5.650 598 HG21 VAL 81 3HG2 VAL 81 2.882 5.295 2.418 599 HG22 VAL 81 1HG2 VAL 81 3.712 5.422 3.969 600 HG23 VAL 81 2HG2 VAL 81 2.536 4.136 3.701 601 H LYS 82 H LYS 82 -1.067 7.969 2.766 602 HA LYS 82 HA LYS 82 -0.508 8.547 0.066 603 HB2 LYS 82 1HB LYS 82 -2.451 9.321 1.697 604 HB3 LYS 82 2HB LYS 82 -1.398 10.714 1.915 605 HG2 LYS 82 1HG LYS 82 -1.594 11.368 -0.306 606 HG3 LYS 82 2HG LYS 82 -2.150 9.775 -0.825 607 HD2 LYS 82 1HD LYS 82 -4.265 10.107 0.305 608 HD3 LYS 82 2HD LYS 82 -3.707 11.650 0.955 609 HE2 LYS 82 1HE LYS 82 -4.872 12.418 -0.844 610 HE3 LYS 82 2HE LYS 82 -3.309 12.158 -1.617 611 HZ1 LYS 82 3HZ LYS 82 -4.784 9.765 -1.689 612 HZ2 LYS 82 1HZ LYS 82 -4.243 10.711 -2.983 613 HZ3 LYS 82 2HZ LYS 82 -5.754 11.014 -2.288 614 H ILE 83 H ILE 83 1.157 9.541 -0.859 615 HA ILE 83 HA ILE 83 3.403 10.405 0.625 616 HB ILE 83 HB ILE 83 2.869 11.185 -2.231 617 HG12 ILE 83 1HG1 ILE 83 3.700 8.508 -1.116 618 HG13 ILE 83 2HG1 ILE 83 2.367 8.859 -2.210 619 HG21 ILE 83 1HG2 ILE 83 4.933 11.835 -0.664 620 HG22 ILE 83 2HG2 ILE 83 5.510 10.280 -1.260 621 HG23 ILE 83 3HG2 ILE 83 5.097 11.562 -2.398 622 HD11 ILE 83 3HD1 ILE 83 5.158 8.310 -2.781 623 HD12 ILE 83 1HD1 ILE 83 3.741 8.198 -3.824 624 HD13 ILE 83 2HD1 ILE 83 4.554 9.747 -3.605 625 H SER 84 H SER 84 1.006 12.230 -1.276 626 HA SER 84 HA SER 84 1.958 14.707 -0.032 627 HB2 SER 84 1HB SER 84 0.645 15.859 -1.766 628 HB3 SER 84 2HB SER 84 1.769 14.704 -2.484 629 HG SER 84 HG SER 84 -0.793 13.791 -1.882 630 H GLY 85 H GLY 85 0.985 15.231 1.810 631 HA2 GLY 85 1HA GLY 85 -1.869 15.532 1.913 632 HA3 GLY 85 2HA GLY 85 -1.298 14.202 2.910 633 HA PRO 86 HA PRO 86 0.575 18.306 4.710 634 HB2 PRO 86 2HB PRO 86 0.781 19.899 3.067 635 HB3 PRO 86 1HB PRO 86 -0.628 20.593 3.878 636 HG2 PRO 86 1HG PRO 86 -2.115 19.704 2.333 637 HG3 PRO 86 2HG PRO 86 -0.711 19.985 1.286 638 HD2 PRO 86 1HD PRO 86 -1.890 17.559 1.522 639 HD3 PRO 86 2HD PRO 86 -0.150 17.751 1.226 640 H SER 87 H SER 87 -0.391 20.060 6.195 641 HA SER 87 HA SER 87 -2.988 19.082 7.182 642 HB2 SER 87 1HB SER 87 -2.300 19.726 9.400 643 HB3 SER 87 2HB SER 87 -1.002 18.768 8.688 644 HG SER 87 HG SER 87 -0.816 21.172 9.706 645 H SER 88 H SER 88 -4.452 20.629 8.103 646 HA SER 88 HA SER 88 -4.364 23.176 6.680 647 HB2 SER 88 1HB SER 88 -6.722 23.369 7.219 648 HB3 SER 88 2HB SER 88 -6.412 21.755 6.579 649 HG SER 88 HG SER 88 -7.034 20.946 8.410 650 H GLY 89 H GLY 89 -4.441 25.173 7.670 651 HA2 GLY 89 1HA GLY 89 -4.982 25.847 10.258 652 HA3 GLY 89 2HA GLY 89 -3.314 25.296 10.312 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -5.329 10.866 14.163 2 HA2 GLY 1 1HA GLY 1 -4.736 9.814 12.125 3 HA3 GLY 1 2HA GLY 1 -5.038 11.328 11.285 4 H SER 2 H SER 2 -2.760 9.536 13.250 5 HA SER 2 HA SER 2 -0.604 11.182 12.153 6 HB2 SER 2 1HB SER 2 -1.223 12.005 14.470 7 HB3 SER 2 2HB SER 2 -0.682 10.442 15.082 8 HG SER 2 HG SER 2 1.147 11.529 15.180 9 H SER 3 H SER 3 1.585 10.151 12.742 10 HA SER 3 HA SER 3 1.589 7.507 11.737 11 HB2 SER 3 1HB SER 3 3.807 9.076 13.075 12 HB3 SER 3 2HB SER 3 4.026 7.573 12.179 13 HG SER 3 HG SER 3 4.429 9.474 10.919 14 H GLY 4 H GLY 4 2.284 8.820 14.972 15 HA2 GLY 4 1HA GLY 4 1.929 7.841 17.040 16 HA3 GLY 4 2HA GLY 4 1.252 6.441 16.220 17 H SER 5 H SER 5 4.432 8.048 16.441 18 HA SER 5 HA SER 5 6.539 7.175 16.575 19 HB2 SER 5 1HB SER 5 5.022 5.471 18.556 20 HB3 SER 5 2HB SER 5 6.777 5.419 18.392 21 HG SER 5 HG SER 5 6.838 7.618 18.933 22 H SER 6 H SER 6 5.280 6.261 14.325 23 HA SER 6 HA SER 6 6.106 3.435 14.185 24 HB2 SER 6 1HB SER 6 4.475 3.090 12.444 25 HB3 SER 6 2HB SER 6 3.661 3.872 13.799 26 HG SER 6 HG SER 6 3.231 5.499 12.551 27 H GLY 7 H GLY 7 8.006 5.445 13.941 28 HA2 GLY 7 1HA GLY 7 8.443 6.034 11.147 29 HA3 GLY 7 2HA GLY 7 9.520 6.425 12.480 30 H GLY 8 H GLY 8 10.524 5.504 10.086 31 HA2 GLY 8 1HA GLY 8 11.116 2.662 10.515 32 HA3 GLY 8 2HA GLY 8 11.441 3.571 9.047 33 H TYR 9 H TYR 9 12.765 2.296 11.855 34 HA TYR 9 HA TYR 9 15.333 3.519 11.245 35 HB2 TYR 9 1HB TYR 9 15.596 3.814 13.846 36 HB3 TYR 9 2HB TYR 9 14.834 5.072 12.878 37 HD1 TYR 9 1HD TYR 9 12.345 5.276 12.870 38 HD2 TYR 9 2HD TYR 9 14.386 2.652 15.527 39 HE1 TYR 9 1HE TYR 9 10.333 5.146 14.278 40 HE2 TYR 9 2HE TYR 9 12.379 2.514 16.941 41 HH TYR 9 HH TYR 9 9.629 4.576 16.435 42 HA PRO 10 HA PRO 10 17.251 3.622 12.760 43 HB2 PRO 10 2HB PRO 10 19.087 2.523 13.597 44 HB3 PRO 10 1HB PRO 10 19.620 2.601 11.913 45 HG2 PRO 10 1HG PRO 10 18.961 0.419 11.471 46 HG3 PRO 10 2HG PRO 10 19.428 0.262 13.175 47 HD2 PRO 10 1HD PRO 10 16.975 -0.438 12.265 48 HD3 PRO 10 2HD PRO 10 17.240 0.205 13.899 49 H ASN 11 H ASN 11 18.591 4.734 11.052 50 HA ASN 11 HA ASN 11 17.276 4.411 8.492 51 HB2 ASN 11 1HB ASN 11 17.465 6.664 9.223 52 HB3 ASN 11 2HB ASN 11 19.174 6.475 9.604 53 HD21 ASN 11 2HD2 ASN 11 19.197 8.335 6.523 54 HD22 ASN 11 1HD2 ASN 11 18.871 8.551 8.206 55 H GLY 12 H GLY 12 18.082 3.297 6.843 56 HA2 GLY 12 1HA GLY 12 20.473 3.338 5.651 57 HA3 GLY 12 2HA GLY 12 20.797 2.267 7.007 58 H THR 13 H THR 13 21.252 0.581 5.513 59 HA THR 13 HA THR 13 19.367 -0.330 3.602 60 HB THR 13 HB THR 13 21.544 -1.977 4.896 61 HG1 THR 13 1HG THR 13 22.283 0.066 3.980 62 HG21 THR 13 3HG2 THR 13 20.254 -3.431 3.614 63 HG22 THR 13 1HG2 THR 13 21.522 -2.940 2.492 64 HG23 THR 13 2HG2 THR 13 19.920 -2.210 2.387 65 H SER 14 H SER 14 17.552 -1.437 3.890 66 HA SER 14 HA SER 14 17.286 -3.141 6.270 67 HB2 SER 14 1HB SER 14 15.285 -1.115 5.254 68 HB3 SER 14 2HB SER 14 14.873 -2.391 6.399 69 HG SER 14 HG SER 14 16.313 -0.067 6.777 70 H ALA 15 H ALA 15 15.916 -4.939 6.041 71 HA ALA 15 HA ALA 15 15.923 -6.145 3.494 72 HB1 ALA 15 3HB ALA 15 15.974 -7.402 5.613 73 HB2 ALA 15 1HB ALA 15 14.298 -6.935 5.909 74 HB3 ALA 15 2HB ALA 15 14.699 -7.958 4.528 75 H ALA 16 H ALA 16 13.907 -3.787 4.738 76 HA ALA 16 HA ALA 16 11.645 -4.590 3.039 77 HB1 ALA 16 3HB ALA 16 11.252 -4.079 5.475 78 HB2 ALA 16 1HB ALA 16 11.643 -2.400 5.103 79 HB3 ALA 16 2HB ALA 16 10.256 -3.174 4.336 80 H LEU 17 H LEU 17 10.496 -2.740 1.950 81 HA LEU 17 HA LEU 17 11.964 -0.370 1.334 82 HB2 LEU 17 1HB LEU 17 13.273 -1.795 -0.045 83 HB3 LEU 17 2HB LEU 17 11.839 -2.596 -0.685 84 HG LEU 17 HG LEU 17 13.124 -0.900 -2.162 85 HD11 LEU 17 1HD1 LEU 17 10.334 -0.096 -2.279 86 HD12 LEU 17 2HD1 LEU 17 10.536 -1.841 -2.122 87 HD13 LEU 17 3HD1 LEU 17 11.310 -0.980 -3.452 88 HD21 LEU 17 3HD2 LEU 17 11.485 0.961 -0.445 89 HD22 LEU 17 1HD2 LEU 17 12.308 1.403 -1.941 90 HD23 LEU 17 2HD2 LEU 17 13.246 0.899 -0.535 91 H ARG 18 H ARG 18 10.315 1.008 1.397 92 HA ARG 18 HA ARG 18 7.655 0.281 0.635 93 HB2 ARG 18 1HB ARG 18 8.783 3.021 1.234 94 HB3 ARG 18 2HB ARG 18 7.080 2.586 1.183 95 HG2 ARG 18 1HG ARG 18 9.063 1.407 3.115 96 HG3 ARG 18 2HG ARG 18 8.025 2.788 3.472 97 HD2 ARG 18 1HD ARG 18 6.776 0.292 2.436 98 HD3 ARG 18 2HD ARG 18 7.317 0.330 4.114 99 HE ARG 18 HE ARG 18 5.099 1.786 2.960 100 HH11 ARG 18 2HH1 ARG 18 7.300 1.464 5.638 101 HH12 ARG 18 1HH1 ARG 18 6.272 2.301 6.753 102 HH21 ARG 18 1HH2 ARG 18 4.245 3.111 6.059 103 HH22 ARG 18 2HH2 ARG 18 3.736 2.890 4.419 104 H GLU 19 H GLU 19 6.842 0.281 -1.346 105 HA GLU 19 HA GLU 19 8.278 1.674 -3.477 106 HB2 GLU 19 1HB GLU 19 5.999 -0.305 -3.662 107 HB3 GLU 19 2HB GLU 19 6.935 0.325 -5.011 108 HG2 GLU 19 1HG GLU 19 8.939 -0.672 -3.591 109 HG3 GLU 19 2HG GLU 19 7.652 -1.714 -2.988 110 H THR 20 H THR 20 7.150 2.963 -5.035 111 HA THR 20 HA THR 20 4.640 4.133 -4.028 112 HB THR 20 HB THR 20 5.331 6.330 -4.635 113 HG1 THR 20 1HG THR 20 7.783 5.249 -5.599 114 HG21 THR 20 3HG2 THR 20 7.736 5.065 -3.325 115 HG22 THR 20 1HG2 THR 20 6.223 5.398 -2.484 116 HG23 THR 20 2HG2 THR 20 7.171 6.726 -3.154 117 H GLY 21 H GLY 21 3.072 4.600 -5.519 118 HA2 GLY 21 1HA GLY 21 3.687 4.411 -8.362 119 HA3 GLY 21 2HA GLY 21 2.602 3.186 -7.719 120 H VAL 22 H VAL 22 0.616 3.661 -8.392 121 HA VAL 22 HA VAL 22 -0.552 6.202 -7.631 122 HB VAL 22 HB VAL 22 0.465 6.413 -9.999 123 HG11 VAL 22 1HG1 VAL 22 -0.875 4.120 -10.487 124 HG12 VAL 22 2HG1 VAL 22 -2.045 5.306 -11.068 125 HG13 VAL 22 3HG1 VAL 22 -0.412 5.276 -11.736 126 HG21 VAL 22 3HG2 VAL 22 -1.622 7.664 -10.768 127 HG22 VAL 22 1HG2 VAL 22 -2.361 7.119 -9.263 128 HG23 VAL 22 2HG2 VAL 22 -0.925 8.141 -9.220 129 H ILE 23 H ILE 23 -2.758 6.107 -7.359 130 HA ILE 23 HA ILE 23 -3.902 3.538 -6.992 131 HB ILE 23 HB ILE 23 -5.269 6.232 -7.040 132 HG12 ILE 23 1HG1 ILE 23 -3.344 5.676 -5.343 133 HG13 ILE 23 2HG1 ILE 23 -4.821 6.449 -4.778 134 HG21 ILE 23 1HG2 ILE 23 -7.015 5.099 -5.711 135 HG22 ILE 23 2HG2 ILE 23 -6.868 4.452 -7.344 136 HG23 ILE 23 3HG2 ILE 23 -6.189 3.564 -5.980 137 HD11 ILE 23 3HD1 ILE 23 -5.669 4.273 -4.052 138 HD12 ILE 23 1HD1 ILE 23 -4.171 3.517 -4.595 139 HD13 ILE 23 2HD1 ILE 23 -4.142 4.684 -3.272 140 H GLU 24 H GLU 24 -4.008 2.388 -8.888 141 HA GLU 24 HA GLU 24 -4.984 3.437 -11.334 142 HB2 GLU 24 1HB GLU 24 -3.555 1.290 -10.815 143 HB3 GLU 24 2HB GLU 24 -5.129 0.516 -10.702 144 HG2 GLU 24 1HG GLU 24 -4.218 0.241 -12.917 145 HG3 GLU 24 2HG GLU 24 -5.653 1.263 -12.973 146 H LYS 25 H LYS 25 -6.472 1.373 -8.852 147 HA LYS 25 HA LYS 25 -9.098 2.347 -9.697 148 HB2 LYS 25 1HB LYS 25 -8.308 -0.060 -10.594 149 HB3 LYS 25 2HB LYS 25 -8.945 -0.540 -9.027 150 HG2 LYS 25 1HG LYS 25 -10.641 1.235 -10.676 151 HG3 LYS 25 2HG LYS 25 -10.440 -0.430 -11.225 152 HD2 LYS 25 1HD LYS 25 -11.093 -1.170 -8.919 153 HD3 LYS 25 2HD LYS 25 -11.490 0.512 -8.560 154 HE2 LYS 25 1HE LYS 25 -13.527 -0.481 -9.179 155 HE3 LYS 25 2HE LYS 25 -13.006 0.423 -10.601 156 HZ1 LYS 25 3HZ LYS 25 -12.019 -2.256 -10.610 157 HZ2 LYS 25 1HZ LYS 25 -12.901 -1.430 -11.795 158 HZ3 LYS 25 2HZ LYS 25 -13.708 -2.215 -10.532 159 H LEU 26 H LEU 26 -10.732 2.170 -8.081 160 HA LEU 26 HA LEU 26 -9.865 1.365 -5.410 161 HB2 LEU 26 1HB LEU 26 -9.495 3.887 -5.933 162 HB3 LEU 26 2HB LEU 26 -11.244 3.998 -5.743 163 HG LEU 26 HG LEU 26 -10.696 2.778 -3.451 164 HD11 LEU 26 1HD1 LEU 26 -8.574 3.917 -2.575 165 HD12 LEU 26 2HD1 LEU 26 -8.130 4.092 -4.273 166 HD13 LEU 26 3HD1 LEU 26 -8.387 2.487 -3.590 167 HD21 LEU 26 3HD2 LEU 26 -10.550 5.689 -4.154 168 HD22 LEU 26 1HD2 LEU 26 -10.399 5.140 -2.485 169 HD23 LEU 26 2HD2 LEU 26 -11.868 4.793 -3.397 170 H LEU 27 H LEU 27 -11.477 0.555 -4.157 171 HA LEU 27 HA LEU 27 -14.224 0.741 -5.202 172 HB2 LEU 27 1HB LEU 27 -12.938 -1.688 -3.964 173 HB3 LEU 27 2HB LEU 27 -14.603 -1.568 -4.532 174 HG LEU 27 HG LEU 27 -13.400 -1.004 -6.823 175 HD11 LEU 27 1HD1 LEU 27 -11.151 -1.138 -5.633 176 HD12 LEU 27 2HD1 LEU 27 -11.320 -2.035 -7.141 177 HD13 LEU 27 3HD1 LEU 27 -11.405 -2.883 -5.597 178 HD21 LEU 27 3HD2 LEU 27 -13.930 -3.141 -7.502 179 HD22 LEU 27 1HD2 LEU 27 -14.893 -2.991 -6.032 180 HD23 LEU 27 2HD2 LEU 27 -13.367 -3.875 -6.000 181 H THR 28 H THR 28 -15.667 -0.435 -3.315 182 HA THR 28 HA THR 28 -15.469 1.406 -1.106 183 HB THR 28 HB THR 28 -17.453 -0.800 -1.687 184 HG1 THR 28 1HG THR 28 -17.376 1.218 -3.001 185 HG21 THR 28 3HG2 THR 28 -17.281 1.177 0.572 186 HG22 THR 28 1HG2 THR 28 -17.516 -0.569 0.653 187 HG23 THR 28 2HG2 THR 28 -18.816 0.470 0.070 188 H SER 29 H SER 29 -14.387 -1.754 -1.766 189 HA SER 29 HA SER 29 -14.095 -2.357 1.097 190 HB2 SER 29 1HB SER 29 -14.140 -4.100 -1.358 191 HB3 SER 29 2HB SER 29 -13.472 -4.685 0.166 192 HG SER 29 HG SER 29 -16.097 -3.666 -0.207 193 H TYR 30 H TYR 30 -12.329 -2.114 -1.946 194 HA TYR 30 HA TYR 30 -9.918 -1.398 -0.573 195 HB2 TYR 30 1HB TYR 30 -8.627 -3.304 -1.769 196 HB3 TYR 30 2HB TYR 30 -9.475 -3.668 -0.270 197 HD1 TYR 30 1HD TYR 30 -10.768 -3.333 -3.754 198 HD2 TYR 30 2HD TYR 30 -10.123 -5.893 -0.417 199 HE1 TYR 30 1HE TYR 30 -12.005 -5.125 -4.897 200 HE2 TYR 30 2HE TYR 30 -11.357 -7.693 -1.552 201 HH TYR 30 HH TYR 30 -13.322 -7.206 -4.169 202 H GLY 31 H GLY 31 -8.030 -1.473 -2.366 203 HA2 GLY 31 1HA GLY 31 -9.087 -0.717 -4.985 204 HA3 GLY 31 2HA GLY 31 -8.223 0.521 -4.084 205 H PHE 32 H PHE 32 -7.406 -0.371 -6.600 206 HA PHE 32 HA PHE 32 -5.036 -2.007 -6.003 207 HB2 PHE 32 1HB PHE 32 -6.308 -1.378 -8.676 208 HB3 PHE 32 2HB PHE 32 -4.908 -2.416 -8.425 209 HD1 PHE 32 2HD PHE 32 -8.528 -2.073 -7.805 210 HD2 PHE 32 1HD PHE 32 -5.156 -4.670 -7.769 211 HE1 PHE 32 2HE PHE 32 -10.023 -4.004 -7.505 212 HE2 PHE 32 1HE PHE 32 -6.645 -6.606 -7.469 213 HZ PHE 32 HZ PHE 32 -9.082 -6.274 -7.336 214 H ILE 33 H ILE 33 -2.986 -1.322 -6.613 215 HA ILE 33 HA ILE 33 -2.777 1.506 -7.415 216 HB ILE 33 HB ILE 33 -1.056 0.011 -5.437 217 HG12 ILE 33 1HG1 ILE 33 -2.417 2.603 -4.864 218 HG13 ILE 33 2HG1 ILE 33 -3.400 1.143 -4.899 219 HG21 ILE 33 1HG2 ILE 33 -0.568 2.455 -7.009 220 HG22 ILE 33 2HG2 ILE 33 -0.184 2.552 -5.291 221 HG23 ILE 33 3HG2 ILE 33 0.573 1.316 -6.295 222 HD11 ILE 33 3HD1 ILE 33 -1.264 1.951 -3.002 223 HD12 ILE 33 1HD1 ILE 33 -2.845 1.237 -2.690 224 HD13 ILE 33 2HD1 ILE 33 -1.530 0.234 -3.303 225 H GLN 34 H GLN 34 -1.808 1.753 -9.308 226 HA GLN 34 HA GLN 34 -0.350 -0.409 -10.528 227 HB2 GLN 34 1HB GLN 34 -1.809 0.942 -11.909 228 HB3 GLN 34 2HB GLN 34 -0.938 2.403 -11.464 229 HG2 GLN 34 1HG GLN 34 0.084 2.061 -13.431 230 HG3 GLN 34 2HG GLN 34 1.085 0.967 -12.479 231 HE21 GLN 34 2HE2 GLN 34 -0.665 -1.958 -13.709 232 HE22 GLN 34 1HE2 GLN 34 -0.172 -1.264 -12.206 233 H CYS 35 H CYS 35 1.629 -0.786 -9.722 234 HA CYS 35 HA CYS 35 3.343 1.111 -8.584 235 HB2 CYS 35 1HB CYS 35 4.066 -1.519 -9.895 236 HB3 CYS 35 2HB CYS 35 5.093 -0.604 -8.798 237 HG CYS 35 HG CYS 35 2.238 -1.099 -7.295 238 H SER 36 H SER 36 4.303 2.774 -9.528 239 HA SER 36 HA SER 36 4.650 2.879 -12.388 240 HB2 SER 36 1HB SER 36 5.303 4.827 -10.171 241 HB3 SER 36 2HB SER 36 5.634 5.154 -11.872 242 HG SER 36 HG SER 36 3.306 5.341 -10.517 243 H GLU 37 H GLU 37 6.326 1.271 -10.190 244 HA GLU 37 HA GLU 37 8.963 1.958 -11.299 245 HB2 GLU 37 1HB GLU 37 8.463 0.285 -8.844 246 HB3 GLU 37 2HB GLU 37 9.962 1.056 -9.342 247 HG2 GLU 37 1HG GLU 37 8.474 3.237 -9.115 248 HG3 GLU 37 2HG GLU 37 7.590 2.205 -7.992 249 H ARG 38 H ARG 38 6.872 -0.778 -10.450 250 HA ARG 38 HA ARG 38 8.561 -2.558 -12.048 251 HB2 ARG 38 1HB ARG 38 7.339 -4.384 -11.024 252 HB3 ARG 38 2HB ARG 38 7.911 -3.285 -9.776 253 HG2 ARG 38 1HG ARG 38 5.789 -2.503 -9.305 254 HG3 ARG 38 2HG ARG 38 5.149 -2.996 -10.874 255 HD2 ARG 38 1HD ARG 38 5.798 -4.706 -8.491 256 HD3 ARG 38 2HD ARG 38 4.255 -4.525 -9.326 257 HE ARG 38 HE ARG 38 5.784 -5.564 -11.253 258 HH11 ARG 38 2HH1 ARG 38 5.361 -6.470 -7.918 259 HH12 ARG 38 1HH1 ARG 38 5.671 -8.152 -8.200 260 HH21 ARG 38 1HH2 ARG 38 6.146 -8.892 -10.315 261 HH22 ARG 38 2HH2 ARG 38 6.194 -7.775 -11.637 262 H GLN 39 H GLN 39 5.806 -0.673 -12.357 263 HA GLN 39 HA GLN 39 4.229 -0.457 -13.981 264 HB2 GLN 39 1HB GLN 39 6.292 -2.150 -15.319 265 HB3 GLN 39 2HB GLN 39 4.736 -1.942 -16.110 266 HG2 GLN 39 1HG GLN 39 5.059 0.520 -15.948 267 HG3 GLN 39 2HG GLN 39 6.684 0.214 -15.336 268 HE21 GLN 39 2HE2 GLN 39 6.219 0.544 -19.188 269 HE22 GLN 39 1HE2 GLN 39 5.237 1.234 -17.946 270 H ALA 40 H ALA 40 3.558 -2.119 -11.926 271 HA ALA 40 HA ALA 40 1.861 -4.087 -13.293 272 HB1 ALA 40 3HB ALA 40 2.425 -5.221 -10.807 273 HB2 ALA 40 1HB ALA 40 2.986 -5.773 -12.385 274 HB3 ALA 40 2HB ALA 40 3.980 -4.671 -11.431 275 H ARG 41 H ARG 41 -0.175 -4.359 -12.431 276 HA ARG 41 HA ARG 41 -1.074 -2.241 -10.674 277 HB2 ARG 41 1HB ARG 41 -3.279 -2.861 -11.285 278 HB3 ARG 41 2HB ARG 41 -2.312 -3.011 -12.746 279 HG2 ARG 41 1HG ARG 41 -2.097 -5.513 -11.881 280 HG3 ARG 41 2HG ARG 41 -3.635 -5.099 -11.120 281 HD2 ARG 41 1HD ARG 41 -4.661 -4.656 -13.182 282 HD3 ARG 41 2HD ARG 41 -3.116 -4.552 -14.025 283 HE ARG 41 HE ARG 41 -3.157 -6.822 -14.294 284 HH11 ARG 41 2HH1 ARG 41 -5.436 -5.934 -11.817 285 HH12 ARG 41 1HH1 ARG 41 -6.102 -7.528 -11.675 286 HH21 ARG 41 1HH2 ARG 41 -5.298 -9.228 -12.984 287 HH22 ARG 41 2HH2 ARG 41 -4.025 -8.924 -14.118 288 H LEU 42 H LEU 42 -0.657 -2.555 -8.571 289 HA LEU 42 HA LEU 42 -0.793 -5.188 -7.384 290 HB2 LEU 42 1HB LEU 42 0.052 -2.480 -6.505 291 HB3 LEU 42 2HB LEU 42 -0.435 -3.633 -5.263 292 HG LEU 42 HG LEU 42 1.851 -3.885 -7.210 293 HD11 LEU 42 1HD1 LEU 42 2.333 -4.301 -4.375 294 HD12 LEU 42 2HD1 LEU 42 1.708 -2.691 -4.732 295 HD13 LEU 42 3HD1 LEU 42 3.173 -3.264 -5.529 296 HD21 LEU 42 3HD2 LEU 42 0.385 -5.932 -5.662 297 HD22 LEU 42 1HD2 LEU 42 2.146 -6.010 -5.608 298 HD23 LEU 42 2HD2 LEU 42 1.308 -6.081 -7.159 299 H PHE 43 H PHE 43 -1.946 -5.311 -5.172 300 HA PHE 43 HA PHE 43 -4.589 -4.027 -5.370 301 HB2 PHE 43 1HB PHE 43 -5.246 -6.141 -5.946 302 HB3 PHE 43 2HB PHE 43 -3.884 -6.902 -5.129 303 HD1 PHE 43 2HD PHE 43 -6.360 -4.544 -3.699 304 HD2 PHE 43 1HD PHE 43 -4.920 -8.547 -3.842 305 HE1 PHE 43 2HE PHE 43 -7.827 -5.136 -1.814 306 HE2 PHE 43 1HE PHE 43 -6.385 -9.145 -1.958 307 HZ PHE 43 HZ PHE 43 -7.840 -7.438 -0.940 308 H PHE 44 H PHE 44 -4.600 -2.610 -3.739 309 HA PHE 44 HA PHE 44 -3.478 -3.408 -1.149 310 HB2 PHE 44 1HB PHE 44 -3.084 -1.188 -0.696 311 HB3 PHE 44 2HB PHE 44 -2.968 -1.161 -2.452 312 HD1 PHE 44 2HD PHE 44 -5.079 -0.316 0.433 313 HD2 PHE 44 1HD PHE 44 -4.581 -0.019 -3.784 314 HE1 PHE 44 2HE PHE 44 -6.849 1.390 0.347 315 HE2 PHE 44 1HE PHE 44 -6.350 1.689 -3.876 316 HZ PHE 44 HZ PHE 44 -7.487 2.395 -1.809 317 H HIS 45 H HIS 45 -4.685 -3.480 0.698 318 HA HIS 45 HA HIS 45 -7.582 -3.497 0.325 319 HB2 HIS 45 1HB HIS 45 -6.011 -5.295 1.555 320 HB3 HIS 45 2HB HIS 45 -6.385 -4.263 2.933 321 HD1 HIS 45 1HD HIS 45 -9.294 -3.641 2.538 322 HD2 HIS 45 2HD HIS 45 -7.687 -7.400 1.799 323 HE1 HIS 45 1HE HIS 45 -11.226 -5.243 2.704 324 HE2 HIS 45 2HE HIS 45 -10.214 -7.520 2.337 325 H CYS 46 H CYS 46 -8.987 -2.207 1.444 326 HA CYS 46 HA CYS 46 -8.247 0.355 2.150 327 HB2 CYS 46 1HB CYS 46 -10.448 0.642 3.022 328 HB3 CYS 46 2HB CYS 46 -10.581 -0.492 1.683 329 HG CYS 46 HG CYS 46 -11.623 -0.848 4.735 330 H SER 47 H SER 47 -7.882 -2.530 3.943 331 HA SER 47 HA SER 47 -7.821 -1.313 6.545 332 HB2 SER 47 1HB SER 47 -8.437 -3.684 6.246 333 HB3 SER 47 2HB SER 47 -6.812 -4.025 5.649 334 HG SER 47 HG SER 47 -6.020 -3.349 7.698 335 H GLN 48 H GLN 48 -5.507 -2.070 4.042 336 HA GLN 48 HA GLN 48 -3.147 -1.871 5.555 337 HB2 GLN 48 1HB GLN 48 -3.545 -1.173 2.641 338 HB3 GLN 48 2HB GLN 48 -2.012 -1.534 3.422 339 HG2 GLN 48 1HG GLN 48 -4.306 -3.421 2.962 340 HG3 GLN 48 2HG GLN 48 -2.723 -3.451 2.188 341 HE21 GLN 48 2HE2 GLN 48 -2.977 -5.935 4.996 342 HE22 GLN 48 1HE2 GLN 48 -4.000 -5.562 3.654 343 H TYR 49 H TYR 49 -4.851 0.570 3.604 344 HA TYR 49 HA TYR 49 -3.138 2.708 4.039 345 HB2 TYR 49 1HB TYR 49 -5.042 2.691 2.434 346 HB3 TYR 49 2HB TYR 49 -6.149 2.853 3.793 347 HD1 TYR 49 2HD TYR 49 -2.887 4.563 3.300 348 HD2 TYR 49 1HD TYR 49 -7.122 4.952 3.411 349 HE1 TYR 49 2HE TYR 49 -2.660 7.010 3.188 350 HE2 TYR 49 1HE TYR 49 -6.907 7.399 3.298 351 HH TYR 49 HH TYR 49 -3.726 8.965 3.297 352 H ASN 50 H ASN 50 -2.646 3.918 5.747 353 HA ASN 50 HA ASN 50 -3.846 3.361 8.297 354 HB2 ASN 50 1HB ASN 50 -1.591 3.777 8.555 355 HB3 ASN 50 2HB ASN 50 -1.573 5.034 7.322 356 HD21 ASN 50 2HD2 ASN 50 -2.018 7.640 9.541 357 HD22 ASN 50 1HD2 ASN 50 -1.737 7.101 7.924 358 H GLY 51 H GLY 51 -3.941 5.984 5.952 359 HA2 GLY 51 1HA GLY 51 -5.366 7.803 7.636 360 HA3 GLY 51 2HA GLY 51 -5.157 7.941 5.896 361 H ASN 52 H ASN 52 -7.228 8.464 5.349 362 HA ASN 52 HA ASN 52 -9.269 6.416 5.919 363 HB2 ASN 52 1HB ASN 52 -9.449 9.408 5.949 364 HB3 ASN 52 2HB ASN 52 -10.875 8.456 5.543 365 HD21 ASN 52 2HD2 ASN 52 -11.670 8.066 8.864 366 HD22 ASN 52 1HD2 ASN 52 -12.156 8.349 7.231 367 H LEU 53 H LEU 53 -9.878 5.361 4.159 368 HA LEU 53 HA LEU 53 -9.069 5.760 1.592 369 HB2 LEU 53 1HB LEU 53 -11.384 4.404 2.831 370 HB3 LEU 53 2HB LEU 53 -11.490 4.708 1.098 371 HG LEU 53 HG LEU 53 -10.662 2.450 1.630 372 HD11 LEU 53 1HD1 LEU 53 -8.232 3.495 0.467 373 HD12 LEU 53 2HD1 LEU 53 -9.663 4.258 -0.224 374 HD13 LEU 53 3HD1 LEU 53 -9.496 2.503 -0.260 375 HD21 LEU 53 3HD2 LEU 53 -8.866 3.982 3.344 376 HD22 LEU 53 1HD2 LEU 53 -8.036 2.789 2.345 377 HD23 LEU 53 2HD2 LEU 53 -9.338 2.283 3.422 378 H GLN 54 H GLN 54 -11.723 7.344 3.241 379 HA GLN 54 HA GLN 54 -13.119 8.436 1.123 380 HB2 GLN 54 1HB GLN 54 -12.579 9.376 3.916 381 HB3 GLN 54 2HB GLN 54 -13.450 10.418 2.798 382 HG2 GLN 54 1HG GLN 54 -15.242 8.939 2.626 383 HG3 GLN 54 2HG GLN 54 -14.310 7.591 3.275 384 HE21 GLN 54 2HE2 GLN 54 -16.654 8.840 5.860 385 HE22 GLN 54 1HE2 GLN 54 -16.808 8.250 4.243 386 H ASP 55 H ASP 55 -10.163 9.611 2.666 387 HA ASP 55 HA ASP 55 -10.005 11.992 1.096 388 HB2 ASP 55 1HB ASP 55 -8.902 11.483 3.383 389 HB3 ASP 55 2HB ASP 55 -7.647 10.692 2.434 390 H LEU 56 H LEU 56 -8.704 8.738 0.823 391 HA LEU 56 HA LEU 56 -6.875 9.249 -1.266 392 HB2 LEU 56 1HB LEU 56 -7.218 7.168 0.287 393 HB3 LEU 56 2HB LEU 56 -8.277 6.627 -1.013 394 HG LEU 56 HG LEU 56 -6.442 6.620 -2.573 395 HD11 LEU 56 1HD1 LEU 56 -4.920 8.233 -2.203 396 HD12 LEU 56 2HD1 LEU 56 -4.111 6.981 -1.261 397 HD13 LEU 56 3HD1 LEU 56 -5.125 8.175 -0.452 398 HD21 LEU 56 3HD2 LEU 56 -6.781 4.828 -0.595 399 HD22 LEU 56 1HD2 LEU 56 -5.112 5.309 -0.290 400 HD23 LEU 56 2HD2 LEU 56 -5.569 4.662 -1.866 401 H LYS 57 H LYS 57 -7.080 8.372 -3.493 402 HA LYS 57 HA LYS 57 -9.651 7.965 -4.645 403 HB2 LYS 57 1HB LYS 57 -9.600 10.026 -6.089 404 HB3 LYS 57 2HB LYS 57 -9.961 10.317 -4.393 405 HG2 LYS 57 1HG LYS 57 -7.801 11.183 -3.984 406 HG3 LYS 57 2HG LYS 57 -7.200 10.611 -5.541 407 HD2 LYS 57 1HD LYS 57 -9.414 12.635 -5.284 408 HD3 LYS 57 2HD LYS 57 -7.710 13.085 -5.382 409 HE2 LYS 57 1HE LYS 57 -9.207 11.458 -7.435 410 HE3 LYS 57 2HE LYS 57 -8.845 13.178 -7.569 411 HZ1 LYS 57 3HZ LYS 57 -7.264 11.110 -8.418 412 HZ2 LYS 57 1HZ LYS 57 -6.506 11.651 -7.005 413 HZ3 LYS 57 2HZ LYS 57 -6.803 12.731 -8.273 414 H VAL 58 H VAL 58 -9.536 7.749 -7.021 415 HA VAL 58 HA VAL 58 -7.124 6.390 -7.773 416 HB VAL 58 HB VAL 58 -9.679 6.973 -9.260 417 HG11 VAL 58 1HG1 VAL 58 -8.241 4.986 -10.621 418 HG12 VAL 58 2HG1 VAL 58 -8.629 6.613 -11.185 419 HG13 VAL 58 3HG1 VAL 58 -7.107 6.308 -10.346 420 HG21 VAL 58 3HG2 VAL 58 -8.534 4.316 -8.443 421 HG22 VAL 58 1HG2 VAL 58 -9.582 5.263 -7.387 422 HG23 VAL 58 2HG2 VAL 58 -10.183 4.691 -8.943 423 H GLY 59 H GLY 59 -5.375 7.337 -8.574 424 HA2 GLY 59 1HA GLY 59 -4.460 8.572 -10.485 425 HA3 GLY 59 2HA GLY 59 -5.737 9.754 -10.235 426 H ASP 60 H ASP 60 -4.327 8.517 -7.382 427 HA ASP 60 HA ASP 60 -2.638 10.921 -7.148 428 HB2 ASP 60 1HB ASP 60 -4.587 9.718 -5.218 429 HB3 ASP 60 2HB ASP 60 -3.184 10.586 -4.602 430 H ASP 61 H ASP 61 -0.692 10.721 -6.024 431 HA ASP 61 HA ASP 61 0.525 8.135 -6.181 432 HB2 ASP 61 1HB ASP 61 1.427 10.888 -5.475 433 HB3 ASP 61 2HB ASP 61 2.415 9.533 -4.936 434 H VAL 62 H VAL 62 1.235 6.808 -4.537 435 HA VAL 62 HA VAL 62 0.803 7.537 -1.769 436 HB VAL 62 HB VAL 62 -0.498 5.274 -1.495 437 HG11 VAL 62 1HG1 VAL 62 -1.236 7.997 -1.687 438 HG12 VAL 62 2HG1 VAL 62 -2.500 7.049 -2.474 439 HG13 VAL 62 3HG1 VAL 62 -2.047 6.704 -0.804 440 HG21 VAL 62 3HG2 VAL 62 -2.119 5.016 -3.420 441 HG22 VAL 62 1HG2 VAL 62 -1.018 6.021 -4.362 442 HG23 VAL 62 2HG2 VAL 62 -0.469 4.473 -3.721 443 H GLU 63 H GLU 63 2.016 6.330 -0.351 444 HA GLU 63 HA GLU 63 3.946 4.513 -1.592 445 HB2 GLU 63 1HB GLU 63 4.634 6.520 -0.160 446 HB3 GLU 63 2HB GLU 63 4.063 5.590 1.218 447 HG2 GLU 63 1HG GLU 63 5.651 3.752 0.196 448 HG3 GLU 63 2HG GLU 63 6.438 5.163 -0.509 449 H PHE 64 H PHE 64 4.155 2.405 -1.034 450 HA PHE 64 HA PHE 64 2.696 1.351 1.251 451 HB2 PHE 64 1HB PHE 64 1.654 -0.437 -0.170 452 HB3 PHE 64 2HB PHE 64 1.007 1.176 -0.447 453 HD1 PHE 64 2HD PHE 64 3.027 -1.537 -1.840 454 HD2 PHE 64 1HD PHE 64 1.381 2.328 -2.527 455 HE1 PHE 64 2HE PHE 64 3.511 -1.761 -4.242 456 HE2 PHE 64 1HE PHE 64 1.861 2.109 -4.931 457 HZ PHE 64 HZ PHE 64 2.929 0.063 -5.790 458 H GLU 65 H GLU 65 3.043 -1.178 1.251 459 HA GLU 65 HA GLU 65 5.847 -1.691 0.505 460 HB2 GLU 65 1HB GLU 65 5.946 -1.478 2.832 461 HB3 GLU 65 2HB GLU 65 4.389 -2.260 3.065 462 HG2 GLU 65 1HG GLU 65 6.004 -3.792 3.809 463 HG3 GLU 65 2HG GLU 65 5.464 -4.383 2.239 464 H VAL 66 H VAL 66 6.200 -3.460 -0.674 465 HA VAL 66 HA VAL 66 3.976 -5.125 -1.436 466 HB VAL 66 HB VAL 66 6.890 -5.308 -2.214 467 HG11 VAL 66 1HG1 VAL 66 5.038 -7.283 -2.449 468 HG12 VAL 66 2HG1 VAL 66 4.843 -6.437 -3.985 469 HG13 VAL 66 3HG1 VAL 66 6.422 -7.072 -3.521 470 HG21 VAL 66 3HG2 VAL 66 6.477 -3.924 -3.981 471 HG22 VAL 66 1HG2 VAL 66 4.773 -4.369 -4.073 472 HG23 VAL 66 2HG2 VAL 66 5.327 -3.254 -2.824 473 H SER 67 H SER 67 3.350 -6.846 -0.327 474 HA SER 67 HA SER 67 5.392 -8.507 0.983 475 HB2 SER 67 1HB SER 67 3.893 -6.930 2.497 476 HB3 SER 67 2HB SER 67 2.714 -8.223 2.279 477 HG SER 67 HG SER 67 5.168 -9.204 2.878 478 H SER 68 H SER 68 4.243 -10.645 1.755 479 HA SER 68 HA SER 68 2.725 -11.640 -0.563 480 HB2 SER 68 1HB SER 68 3.589 -13.903 0.175 481 HB3 SER 68 2HB SER 68 4.822 -12.782 -0.402 482 HG SER 68 HG SER 68 5.298 -12.304 1.782 483 H ASP 69 H ASP 69 0.767 -12.531 -0.287 484 HA ASP 69 HA ASP 69 -0.612 -12.186 2.163 485 HB2 ASP 69 1HB ASP 69 -1.589 -12.201 -0.202 486 HB3 ASP 69 2HB ASP 69 -1.526 -13.958 -0.098 487 H ARG 70 H ARG 70 -1.904 -14.039 3.153 488 HA ARG 70 HA ARG 70 -0.037 -16.238 3.694 489 HB2 ARG 70 1HB ARG 70 -2.485 -15.592 5.319 490 HB3 ARG 70 2HB ARG 70 -1.047 -16.478 5.808 491 HG2 ARG 70 1HG ARG 70 -0.969 -13.565 5.092 492 HG3 ARG 70 2HG ARG 70 -1.320 -14.134 6.725 493 HD2 ARG 70 1HD ARG 70 0.954 -13.824 6.844 494 HD3 ARG 70 2HD ARG 70 0.867 -15.526 6.390 495 HE ARG 70 HE ARG 70 1.055 -13.708 4.161 496 HH11 ARG 70 2HH1 ARG 70 2.811 -15.601 6.496 497 HH12 ARG 70 1HH1 ARG 70 4.248 -15.696 5.532 498 HH21 ARG 70 1HH2 ARG 70 4.321 -14.685 3.478 499 HH22 ARG 70 2HH2 ARG 70 2.941 -13.826 2.883 500 H ARG 71 H ARG 71 -2.589 -15.650 1.753 501 HA ARG 71 HA ARG 71 -3.601 -18.409 1.976 502 HB2 ARG 71 1HB ARG 71 -5.094 -16.088 0.756 503 HB3 ARG 71 2HB ARG 71 -5.725 -17.678 1.166 504 HG2 ARG 71 1HG ARG 71 -4.748 -15.637 3.152 505 HG3 ARG 71 2HG ARG 71 -6.437 -15.941 2.744 506 HD2 ARG 71 1HD ARG 71 -4.731 -18.219 3.625 507 HD3 ARG 71 2HD ARG 71 -5.316 -17.078 4.834 508 HE ARG 71 HE ARG 71 -7.470 -17.856 4.504 509 HH11 ARG 71 2HH1 ARG 71 -5.299 -19.237 2.159 510 HH12 ARG 71 1HH1 ARG 71 -6.432 -20.432 1.620 511 HH21 ARG 71 1HH2 ARG 71 -8.521 -20.537 2.556 512 HH22 ARG 71 2HH2 ARG 71 -8.971 -19.424 3.804 513 H THR 72 H THR 72 -2.690 -15.809 -0.233 514 HA THR 72 HA THR 72 -2.443 -17.813 -2.381 515 HB THR 72 HB THR 72 -2.728 -15.972 -3.997 516 HG1 THR 72 1HG THR 72 -2.373 -14.047 -3.179 517 HG21 THR 72 3HG2 THR 72 -4.934 -16.275 -1.960 518 HG22 THR 72 1HG2 THR 72 -4.694 -17.234 -3.420 519 HG23 THR 72 2HG2 THR 72 -5.142 -15.532 -3.545 520 H GLY 73 H GLY 73 -0.756 -15.780 -0.313 521 HA2 GLY 73 1HA GLY 73 1.430 -15.087 -0.210 522 HA3 GLY 73 2HA GLY 73 1.768 -16.460 -1.253 523 H LYS 74 H LYS 74 -0.403 -14.089 -2.463 524 HA LYS 74 HA LYS 74 1.417 -13.437 -4.593 525 HB2 LYS 74 1HB LYS 74 -1.349 -12.383 -3.976 526 HB3 LYS 74 2HB LYS 74 -0.455 -12.077 -5.459 527 HG2 LYS 74 1HG LYS 74 -0.901 -14.901 -4.666 528 HG3 LYS 74 2HG LYS 74 -2.273 -13.982 -5.289 529 HD2 LYS 74 1HD LYS 74 0.342 -13.969 -6.746 530 HD3 LYS 74 2HD LYS 74 -0.777 -15.321 -6.937 531 HE2 LYS 74 1HE LYS 74 -2.339 -14.051 -8.023 532 HE3 LYS 74 2HE LYS 74 -1.854 -12.564 -7.210 533 HZ1 LYS 74 3HZ LYS 74 -0.145 -12.211 -8.681 534 HZ2 LYS 74 1HZ LYS 74 -1.298 -12.913 -9.700 535 HZ3 LYS 74 2HZ LYS 74 -0.012 -13.841 -9.113 536 HA PRO 75 HA PRO 75 3.132 -9.708 -3.032 537 HB2 PRO 75 2HB PRO 75 4.442 -9.665 -4.919 538 HB3 PRO 75 1HB PRO 75 3.425 -8.276 -5.320 539 HG2 PRO 75 1HG PRO 75 2.062 -9.520 -6.728 540 HG3 PRO 75 2HG PRO 75 3.606 -10.355 -6.976 541 HD2 PRO 75 1HD PRO 75 1.363 -11.647 -6.181 542 HD3 PRO 75 2HD PRO 75 2.988 -12.153 -5.673 543 H ILE 76 H ILE 76 1.448 -8.852 -1.786 544 HA ILE 76 HA ILE 76 -0.360 -6.984 -3.171 545 HB ILE 76 HB ILE 76 -1.803 -7.113 -1.188 546 HG12 ILE 76 1HG1 ILE 76 -0.217 -9.441 -0.175 547 HG13 ILE 76 2HG1 ILE 76 0.281 -7.810 0.261 548 HG21 ILE 76 1HG2 ILE 76 -2.463 -9.543 -1.463 549 HG22 ILE 76 2HG2 ILE 76 -2.393 -8.579 -2.938 550 HG23 ILE 76 3HG2 ILE 76 -1.082 -9.693 -2.550 551 HD11 ILE 76 3HD1 ILE 76 -1.344 -7.615 1.760 552 HD12 ILE 76 1HD1 ILE 76 -2.560 -8.247 0.650 553 HD13 ILE 76 2HD1 ILE 76 -1.557 -9.357 1.586 554 H ALA 77 H ALA 77 -1.008 -5.071 -1.776 555 HA ALA 77 HA ALA 77 1.435 -3.837 -0.758 556 HB1 ALA 77 3HB ALA 77 -1.170 -2.790 -1.772 557 HB2 ALA 77 1HB ALA 77 -0.160 -1.775 -0.741 558 HB3 ALA 77 2HB ALA 77 0.474 -2.388 -2.269 559 H VAL 78 H VAL 78 1.480 -2.690 1.237 560 HA VAL 78 HA VAL 78 -0.690 -3.076 3.121 561 HB VAL 78 HB VAL 78 0.742 -4.135 4.830 562 HG11 VAL 78 1HG1 VAL 78 0.433 -5.666 2.250 563 HG12 VAL 78 2HG1 VAL 78 0.775 -6.399 3.819 564 HG13 VAL 78 3HG1 VAL 78 -0.743 -5.540 3.558 565 HG21 VAL 78 3HG2 VAL 78 2.945 -4.255 4.581 566 HG22 VAL 78 1HG2 VAL 78 2.743 -5.271 3.153 567 HG23 VAL 78 2HG2 VAL 78 2.800 -3.516 2.986 568 H LYS 79 H LYS 79 -0.378 -1.889 5.116 569 HA LYS 79 HA LYS 79 0.066 0.076 6.184 570 HB2 LYS 79 1HB LYS 79 2.907 -0.405 5.282 571 HB3 LYS 79 2HB LYS 79 2.372 0.481 6.704 572 HG2 LYS 79 1HG LYS 79 1.862 -2.454 6.308 573 HG3 LYS 79 2HG LYS 79 3.287 -1.815 7.130 574 HD2 LYS 79 1HD LYS 79 1.928 -2.117 8.937 575 HD3 LYS 79 2HD LYS 79 1.439 -0.481 8.489 576 HE2 LYS 79 1HE LYS 79 -0.316 -1.708 7.007 577 HE3 LYS 79 2HE LYS 79 0.005 -3.073 8.076 578 HZ1 LYS 79 3HZ LYS 79 -0.397 -1.302 9.916 579 HZ2 LYS 79 1HZ LYS 79 -1.714 -2.039 9.150 580 HZ3 LYS 79 2HZ LYS 79 -1.233 -0.483 8.694 581 H LEU 80 H LEU 80 -0.971 0.582 3.741 582 HA LEU 80 HA LEU 80 0.553 2.178 2.014 583 HB2 LEU 80 1HB LEU 80 -2.019 1.229 2.070 584 HB3 LEU 80 2HB LEU 80 -2.250 2.965 2.266 585 HG LEU 80 HG LEU 80 -0.547 2.930 0.165 586 HD11 LEU 80 1HD1 LEU 80 -0.874 0.330 0.323 587 HD12 LEU 80 2HD1 LEU 80 -0.821 1.144 -1.240 588 HD13 LEU 80 3HD1 LEU 80 -2.372 0.685 -0.538 589 HD21 LEU 80 3HD2 LEU 80 -2.265 4.136 -0.551 590 HD22 LEU 80 1HD2 LEU 80 -3.329 3.388 0.640 591 HD23 LEU 80 2HD2 LEU 80 -3.119 2.643 -0.944 592 H VAL 81 H VAL 81 0.452 4.493 1.688 593 HA VAL 81 HA VAL 81 -0.519 6.220 3.748 594 HB VAL 81 HB VAL 81 1.810 7.164 4.243 595 HG11 VAL 81 1HG1 VAL 81 1.933 5.944 6.200 596 HG12 VAL 81 2HG1 VAL 81 0.260 5.673 5.710 597 HG13 VAL 81 3HG1 VAL 81 1.480 4.434 5.411 598 HG21 VAL 81 3HG2 VAL 81 2.530 5.049 2.497 599 HG22 VAL 81 1HG2 VAL 81 3.583 6.199 3.320 600 HG23 VAL 81 2HG2 VAL 81 3.168 4.670 4.096 601 H LYS 82 H LYS 82 -1.111 8.012 2.736 602 HA LYS 82 HA LYS 82 -0.468 8.575 0.061 603 HB2 LYS 82 1HB LYS 82 -2.428 9.399 1.646 604 HB3 LYS 82 2HB LYS 82 -1.354 10.772 1.875 605 HG2 LYS 82 1HG LYS 82 -1.606 11.508 -0.266 606 HG3 LYS 82 2HG LYS 82 -1.910 9.890 -0.904 607 HD2 LYS 82 1HD LYS 82 -4.142 9.898 -0.099 608 HD3 LYS 82 2HD LYS 82 -3.856 11.338 0.881 609 HE2 LYS 82 1HE LYS 82 -3.481 12.624 -1.202 610 HE3 LYS 82 2HE LYS 82 -3.888 11.182 -2.132 611 HZ1 LYS 82 3HZ LYS 82 -6.006 11.371 -0.522 612 HZ2 LYS 82 1HZ LYS 82 -5.936 12.063 -2.065 613 HZ3 LYS 82 2HZ LYS 82 -5.621 13.009 -0.699 614 H ILE 83 H ILE 83 1.261 9.487 -0.823 615 HA ILE 83 HA ILE 83 3.488 10.320 0.687 616 HB ILE 83 HB ILE 83 2.995 11.109 -2.176 617 HG12 ILE 83 1HG1 ILE 83 3.743 8.433 -1.020 618 HG13 ILE 83 2HG1 ILE 83 2.506 8.803 -2.215 619 HG21 ILE 83 1HG2 ILE 83 5.237 11.450 -2.334 620 HG22 ILE 83 2HG2 ILE 83 5.034 11.792 -0.617 621 HG23 ILE 83 3HG2 ILE 83 5.622 10.213 -1.137 622 HD11 ILE 83 3HD1 ILE 83 3.978 8.122 -3.727 623 HD12 ILE 83 1HD1 ILE 83 4.828 9.638 -3.429 624 HD13 ILE 83 2HD1 ILE 83 5.310 8.173 -2.572 625 H SER 84 H SER 84 1.155 12.209 -1.233 626 HA SER 84 HA SER 84 2.120 14.645 0.092 627 HB2 SER 84 1HB SER 84 2.155 14.867 -2.290 628 HB3 SER 84 2HB SER 84 0.521 14.220 -2.437 629 HG SER 84 HG SER 84 -0.305 16.086 -1.710 630 H GLY 85 H GLY 85 1.037 15.099 1.898 631 HA2 GLY 85 1HA GLY 85 -1.667 15.802 1.916 632 HA3 GLY 85 2HA GLY 85 -1.552 14.151 2.506 633 HA PRO 86 HA PRO 86 0.906 16.916 5.635 634 HB2 PRO 86 2HB PRO 86 1.874 18.705 4.566 635 HB3 PRO 86 1HB PRO 86 0.579 19.599 5.372 636 HG2 PRO 86 1HG PRO 86 -0.751 19.637 3.469 637 HG3 PRO 86 2HG PRO 86 0.857 19.695 2.724 638 HD2 PRO 86 1HD PRO 86 -0.971 17.797 2.100 639 HD3 PRO 86 2HD PRO 86 0.776 17.483 2.081 640 H SER 87 H SER 87 -2.247 16.865 4.717 641 HA SER 87 HA SER 87 -4.236 17.085 5.800 642 HB2 SER 87 1HB SER 87 -2.343 17.040 8.146 643 HB3 SER 87 2HB SER 87 -4.088 17.173 8.362 644 HG SER 87 HG SER 87 -4.349 15.161 7.677 645 H SER 88 H SER 88 -3.275 19.383 4.645 646 HA SER 88 HA SER 88 -3.702 21.527 6.592 647 HB2 SER 88 1HB SER 88 -2.866 21.720 3.688 648 HB3 SER 88 2HB SER 88 -2.874 23.034 4.864 649 HG SER 88 HG SER 88 -1.342 21.736 6.081 650 H GLY 89 H GLY 89 -5.363 23.003 6.444 651 HA2 GLY 89 1HA GLY 89 -7.632 22.137 4.802 652 HA3 GLY 89 2HA GLY 89 -7.714 23.204 6.197
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