NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
605998 | 5l3m | 34001 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA ALA 1 HA ALA 1 -15.850 -12.065 -11.051 2 HB1 ALA 1 1HB ALA 1 -13.939 -11.897 -12.632 3 HB2 ALA 1 2HB ALA 1 -15.461 -12.055 -13.527 4 HB3 ALA 1 3HB ALA 1 -14.669 -10.473 -13.390 5 H TYR 2 H TYR 2 -13.782 -11.873 -10.123 6 HA TYR 2 HA TYR 2 -13.345 -9.258 -8.763 7 HB2 TYR 2 1HB TYR 2 -12.644 -12.118 -7.986 8 HB3 TYR 2 2HB TYR 2 -12.238 -10.682 -7.056 9 HD1 TYR 2 1HD TYR 2 -14.799 -13.153 -7.756 10 HD2 TYR 2 2HD TYR 2 -14.147 -9.218 -6.136 11 HE1 TYR 2 1HE TYR 2 -17.023 -13.245 -6.627 12 HE2 TYR 2 2HE TYR 2 -16.377 -9.322 -5.010 13 HH TYR 2 HH TYR 2 -18.526 -12.160 -5.306 14 H ARG 3 H ARG 3 -10.903 -8.981 -8.181 15 HA ARG 3 HA ARG 3 -9.408 -9.135 -10.660 16 HB2 ARG 3 1HB ARG 3 -8.494 -8.577 -7.811 17 HB3 ARG 3 2HB ARG 3 -7.502 -8.361 -9.250 18 HG2 ARG 3 1HG ARG 3 -9.084 -6.640 -10.069 19 HG3 ARG 3 2HG ARG 3 -10.018 -6.813 -8.564 20 HD2 ARG 3 1HD ARG 3 -8.018 -6.200 -7.251 21 HD3 ARG 3 2HD ARG 3 -7.074 -6.071 -8.739 22 HE ARG 3 HE ARG 3 -8.089 -4.037 -9.242 23 HH11 ARG 3 1HH1 ARG 3 -9.620 -5.384 -6.330 24 HH12 ARG 3 2HH1 ARG 3 -10.385 -3.857 -5.955 25 HH21 ARG 3 1HH2 ARG 3 -9.108 -2.159 -8.671 26 HH22 ARG 3 2HH2 ARG 3 -10.104 -2.084 -7.244 27 HA PRO 4 HA PRO 4 -7.656 -13.231 -10.100 28 HB2 PRO 4 1HB PRO 4 -5.094 -11.949 -11.039 29 HB3 PRO 4 2HB PRO 4 -5.914 -13.415 -11.657 30 HG2 PRO 4 1HG PRO 4 -5.989 -11.169 -13.043 31 HG3 PRO 4 2HG PRO 4 -7.467 -12.168 -12.866 32 HD2 PRO 4 1HD PRO 4 -6.699 -9.651 -11.374 33 HD3 PRO 4 2HD PRO 4 -8.264 -10.112 -12.125 34 H SER 5 H SER 5 -6.094 -10.288 -8.962 35 HA SER 5 HA SER 5 -5.298 -11.602 -6.476 36 HB2 SER 5 1HB SER 5 -3.420 -9.849 -8.127 37 HB3 SER 5 2HB SER 5 -3.096 -10.496 -6.506 38 HG SER 5 HG SER 5 -2.117 -11.810 -8.031 39 H GLU 6 H GLU 6 -6.490 -10.440 -5.160 40 HA GLU 6 HA GLU 6 -7.081 -7.582 -5.626 41 HB2 GLU 6 1HB GLU 6 -7.712 -9.428 -3.290 42 HB3 GLU 6 2HB GLU 6 -8.332 -7.786 -3.480 43 HG2 GLU 6 1HG GLU 6 -8.858 -10.022 -5.475 44 HG3 GLU 6 2HG GLU 6 -9.913 -9.690 -4.094 45 H THR 7 H THR 7 -4.699 -9.557 -4.295 46 HA THR 7 HA THR 7 -3.715 -7.699 -2.243 47 HB THR 7 HB THR 7 -1.784 -9.399 -2.220 48 HG1 THR 7 1HG THR 7 -2.057 -11.234 -3.424 49 HG21 THR 7 1HG2 THR 7 -3.070 -11.141 -1.104 50 HG22 THR 7 2HG2 THR 7 -4.577 -10.549 -1.844 51 HG23 THR 7 3HG2 THR 7 -3.707 -9.548 -0.655 52 H LEU 8 H LEU 8 -1.385 -7.047 -2.340 53 HA LEU 8 HA LEU 8 -0.545 -6.353 -5.136 54 HB2 LEU 8 1HB LEU 8 -0.427 -4.644 -2.641 55 HB3 LEU 8 2HB LEU 8 0.296 -4.245 -4.194 56 HG LEU 8 HG LEU 8 -2.672 -4.565 -3.753 57 HD11 LEU 8 1HD1 LEU 8 -0.956 -2.073 -3.777 58 HD12 LEU 8 2HD1 LEU 8 -1.828 -2.748 -2.380 59 HD13 LEU 8 3HD1 LEU 8 -2.732 -2.100 -3.765 60 HD21 LEU 8 1HD2 LEU 8 -1.117 -3.250 -5.997 61 HD22 LEU 8 2HD2 LEU 8 -2.882 -3.440 -5.889 62 HD23 LEU 8 3HD2 LEU 8 -1.847 -4.873 -6.080 63 H CYS 9 H CYS 9 1.463 -6.917 -5.585 64 HA CYS 9 HA CYS 9 3.291 -7.503 -3.261 65 HB2 CYS 9 1HB CYS 9 2.718 -9.135 -5.736 66 HB3 CYS 9 2HB CYS 9 4.029 -9.487 -4.602 67 H GLY 10 H GLY 10 3.196 -7.000 -6.818 68 HA2 GLY 10 1HA GLY 10 6.133 -6.596 -6.791 69 HA3 GLY 10 2HA GLY 10 5.094 -6.842 -8.197 70 H GLY 11 H GLY 11 5.411 -5.168 -9.490 71 HA2 GLY 11 1HA GLY 11 6.129 -2.557 -8.573 72 HA3 GLY 11 2HA GLY 11 5.578 -2.979 -10.206 73 H GLU 12 H GLU 12 3.041 -4.156 -9.090 74 HA GLU 12 HA GLU 12 1.435 -1.804 -9.223 75 HB2 GLU 12 1HB GLU 12 -0.402 -3.183 -8.944 76 HB3 GLU 12 2HB GLU 12 0.749 -4.026 -9.972 77 HG2 GLU 12 1HG GLU 12 0.490 -4.564 -7.013 78 HG3 GLU 12 2HG GLU 12 -0.503 -5.314 -8.239 79 H LEU 13 H LEU 13 2.931 -3.477 -6.509 80 HA LEU 13 HA LEU 13 1.256 -2.188 -4.503 81 HB2 LEU 13 1HB LEU 13 2.523 -4.243 -4.000 82 HB3 LEU 13 2HB LEU 13 4.040 -3.421 -4.330 83 HG LEU 13 HG LEU 13 3.836 -2.047 -2.379 84 HD11 LEU 13 1HD1 LEU 13 1.137 -3.336 -1.862 85 HD12 LEU 13 2HD1 LEU 13 1.410 -1.640 -2.324 86 HD13 LEU 13 3HD1 LEU 13 1.995 -2.238 -0.774 87 HD21 LEU 13 1HD2 LEU 13 3.120 -4.926 -1.742 88 HD22 LEU 13 2HD2 LEU 13 3.863 -3.761 -0.624 89 HD23 LEU 13 3HD2 LEU 13 4.750 -4.290 -2.072 90 H VAL 14 H VAL 14 4.409 -1.569 -6.073 91 HA VAL 14 HA VAL 14 5.095 0.733 -4.523 92 HB VAL 14 HB VAL 14 5.887 0.130 -7.418 93 HG11 VAL 14 1HG1 VAL 14 7.283 1.763 -5.258 94 HG12 VAL 14 2HG1 VAL 14 7.883 1.477 -6.910 95 HG13 VAL 14 3HG1 VAL 14 6.410 2.432 -6.651 96 HG21 VAL 14 1HG2 VAL 14 6.420 -1.814 -6.004 97 HG22 VAL 14 2HG2 VAL 14 7.902 -0.960 -6.462 98 HG23 VAL 14 3HG2 VAL 14 7.232 -0.754 -4.831 99 H ASP 15 H ASP 15 3.278 0.262 -7.552 100 HA ASP 15 HA ASP 15 2.935 3.017 -8.211 101 HB2 ASP 15 1HB ASP 15 2.463 1.027 -9.679 102 HB3 ASP 15 2HB ASP 15 1.013 0.715 -8.713 103 H THR 16 H THR 16 0.917 0.758 -6.279 104 HA THR 16 HA THR 16 -1.111 2.653 -5.659 105 HB THR 16 HB THR 16 -0.168 0.359 -3.873 106 HG1 THR 16 1HG THR 16 -0.629 -0.400 -5.984 107 HG21 THR 16 1HG2 THR 16 -1.764 1.902 -2.838 108 HG22 THR 16 2HG2 THR 16 -2.527 0.339 -3.205 109 HG23 THR 16 3HG2 THR 16 -2.847 1.744 -4.246 110 H LEU 17 H LEU 17 1.970 1.887 -4.009 111 HA LEU 17 HA LEU 17 1.502 3.548 -1.714 112 HB2 LEU 17 1HB LEU 17 3.945 2.460 -3.107 113 HB3 LEU 17 2HB LEU 17 4.111 3.601 -1.775 114 HG LEU 17 HG LEU 17 2.339 1.230 -1.352 115 HD11 LEU 17 1HD1 LEU 17 5.340 1.102 -1.244 116 HD12 LEU 17 2HD1 LEU 17 4.278 0.285 -2.416 117 HD13 LEU 17 3HD1 LEU 17 4.191 -0.146 -0.709 118 HD21 LEU 17 1HD2 LEU 17 2.619 3.014 0.367 119 HD22 LEU 17 2HD2 LEU 17 4.362 2.657 0.426 120 HD23 LEU 17 3HD2 LEU 17 3.180 1.429 0.930 121 H GLN 18 H GLN 18 2.885 4.222 -4.964 122 HA GLN 18 HA GLN 18 3.595 6.964 -4.356 123 HB2 GLN 18 1HB GLN 18 2.993 5.512 -6.958 124 HB3 GLN 18 2HB GLN 18 3.440 7.217 -6.886 125 HG2 GLN 18 1HG GLN 18 5.575 6.608 -5.822 126 HG3 GLN 18 2HG GLN 18 5.138 4.900 -5.945 127 HE21 GLN 18 1HE2 GLN 18 6.331 4.599 -9.178 128 HE22 GLN 18 2HE2 GLN 18 5.843 3.855 -7.674 129 H PHE 19 H PHE 19 0.668 5.365 -5.668 130 HA PHE 19 HA PHE 19 -0.747 7.768 -6.261 131 HB2 PHE 19 1HB PHE 19 -1.597 5.826 -7.232 132 HB3 PHE 19 2HB PHE 19 -1.487 4.903 -5.735 133 HD1 PHE 19 1HD PHE 19 -3.339 4.634 -4.318 134 HD2 PHE 19 2HD PHE 19 -3.400 7.696 -7.341 135 HE1 PHE 19 1HE PHE 19 -5.737 5.072 -3.813 136 HE2 PHE 19 2HE PHE 19 -5.802 8.144 -6.846 137 HZ PHE 19 HZ PHE 19 -6.973 6.838 -5.070 138 H VAL 20 H VAL 20 -0.905 5.703 -3.294 139 HA VAL 20 HA VAL 20 -2.908 7.375 -2.105 140 HB VAL 20 HB VAL 20 -2.485 4.944 -1.554 141 HG11 VAL 20 1HG1 VAL 20 -0.024 5.072 -1.319 142 HG12 VAL 20 2HG1 VAL 20 -0.226 6.000 0.185 143 HG13 VAL 20 3HG1 VAL 20 -0.816 4.332 0.075 144 HG21 VAL 20 1HG2 VAL 20 -3.926 6.344 -0.142 145 HG22 VAL 20 2HG2 VAL 20 -3.060 5.121 0.812 146 HG23 VAL 20 3HG2 VAL 20 -2.520 6.816 0.837 147 H CYS 21 H CYS 21 0.624 7.519 -2.060 148 HA CYS 21 HA CYS 21 0.585 9.523 0.096 149 HB2 CYS 21 1HB CYS 21 2.792 8.318 -1.591 150 HB3 CYS 21 2HB CYS 21 3.062 9.566 -0.364 151 H GLY 22 H GLY 22 0.971 9.464 -3.445 152 HA2 GLY 22 1HA GLY 22 1.190 11.186 -4.933 153 HA3 GLY 22 2HA GLY 22 0.777 12.331 -3.619 154 H ASP 23 H ASP 23 2.378 13.671 -3.669 155 HA ASP 23 HA ASP 23 5.159 12.921 -4.036 156 HB2 ASP 23 1HB ASP 23 3.928 15.101 -4.734 157 HB3 ASP 23 2HB ASP 23 4.184 15.611 -3.058 158 H ARG 24 H ARG 24 3.265 12.502 -1.315 159 HA ARG 24 HA ARG 24 4.993 13.724 0.654 160 HB2 ARG 24 1HB ARG 24 2.949 11.496 0.918 161 HB3 ARG 24 2HB ARG 24 3.702 12.369 2.254 162 HG2 ARG 24 1HG ARG 24 2.756 14.512 1.272 163 HG3 ARG 24 2HG ARG 24 1.849 13.517 0.140 164 HD2 ARG 24 1HD ARG 24 1.479 13.919 3.064 165 HD3 ARG 24 2HD ARG 24 0.272 13.844 1.782 166 HE ARG 24 HE ARG 24 1.519 11.573 3.221 167 HH11 ARG 24 1HH1 ARG 24 -0.877 12.540 0.795 168 HH12 ARG 24 2HH1 ARG 24 -1.745 11.029 0.960 169 HH21 ARG 24 1HH2 ARG 24 0.327 9.745 3.376 170 HH22 ARG 24 2HH2 ARG 24 -1.117 9.515 2.397 171 H GLY 25 H GLY 25 5.226 10.748 -1.129 172 HA2 GLY 25 1HA GLY 25 7.048 9.286 -1.138 173 HA3 GLY 25 2HA GLY 25 7.740 10.157 0.238 174 H PHE 26 H PHE 26 7.848 7.352 0.117 175 HA PHE 26 HA PHE 26 6.222 6.624 2.472 176 HB2 PHE 26 1HB PHE 26 5.356 4.588 1.371 177 HB3 PHE 26 2HB PHE 26 4.748 6.054 0.611 178 HD1 PHE 26 1HD PHE 26 6.990 3.142 0.170 179 HD2 PHE 26 2HD PHE 26 5.359 6.683 -1.650 180 HE1 PHE 26 1HE PHE 26 7.809 2.379 -2.051 181 HE2 PHE 26 2HE PHE 26 6.180 5.930 -3.856 182 HZ PHE 26 HZ PHE 26 7.388 3.772 -4.068 183 H TYR 27 H TYR 27 6.748 4.335 3.182 184 HA TYR 27 HA TYR 27 9.546 3.596 2.410 185 HB2 TYR 27 1HB TYR 27 8.317 3.554 5.194 186 HB3 TYR 27 2HB TYR 27 9.928 2.959 4.764 187 HD1 TYR 27 1HD TYR 27 7.908 5.918 5.541 188 HD2 TYR 27 2HD TYR 27 11.709 4.591 4.012 189 HE1 TYR 27 1HE TYR 27 8.857 8.201 5.882 190 HE2 TYR 27 2HE TYR 27 12.640 6.880 4.357 191 HH TYR 27 HH TYR 27 10.658 9.563 5.630 192 H PHE 28 H PHE 28 9.920 1.389 2.236 193 HA PHE 28 HA PHE 28 7.510 -0.291 2.039 194 HB2 PHE 28 1HB PHE 28 10.233 -0.308 1.004 195 HB3 PHE 28 2HB PHE 28 9.826 -1.874 1.713 196 HD1 PHE 28 1HD PHE 28 8.720 -3.458 0.391 197 HD2 PHE 28 2HD PHE 28 8.357 0.710 -0.609 198 HE1 PHE 28 1HE PHE 28 7.440 -4.066 -1.657 199 HE2 PHE 28 2HE PHE 28 7.077 0.110 -2.655 200 HZ PHE 28 HZ PHE 28 6.601 -2.283 -3.174 201 H SER 29 H SER 29 9.876 0.528 4.348 202 HA SER 29 HA SER 29 9.442 -1.941 5.954 203 HB2 SER 29 1HB SER 29 11.342 -0.911 7.295 204 HB3 SER 29 2HB SER 29 11.758 -1.402 5.643 205 HG SER 29 HG SER 29 11.344 1.213 6.656 206 H ARG 30 H ARG 30 8.724 -1.707 8.162 207 HA ARG 30 HA ARG 30 6.915 0.433 8.601 208 HB2 ARG 30 1HB ARG 30 8.123 -1.342 10.711 209 HB3 ARG 30 2HB ARG 30 6.730 -0.292 10.933 210 HG2 ARG 30 1HG ARG 30 6.324 -2.025 8.665 211 HG3 ARG 30 2HG ARG 30 6.804 -2.976 10.074 212 HD2 ARG 30 1HD ARG 30 4.362 -2.768 9.967 213 HD3 ARG 30 2HD ARG 30 4.983 -1.918 11.396 214 HE ARG 30 HE ARG 30 4.883 0.070 9.520 215 HH11 ARG 30 1HH1 ARG 30 2.412 -2.242 10.559 216 HH12 ARG 30 2HH1 ARG 30 1.115 -1.146 10.167 217 HH21 ARG 30 1HH2 ARG 30 3.184 1.392 9.060 218 HH22 ARG 30 2HH2 ARG 30 1.543 0.866 9.315 219 HA PRO 31 HA PRO 31 10.068 2.818 11.066 220 HB2 PRO 31 1HB PRO 31 12.701 2.097 11.069 221 HB3 PRO 31 2HB PRO 31 11.527 1.431 12.247 222 HG2 PRO 31 1HG PRO 31 12.540 0.209 9.677 223 HG3 PRO 31 2HG PRO 31 12.378 -0.546 11.292 224 HD2 PRO 31 1HD PRO 31 10.528 -0.847 9.307 225 HD3 PRO 31 2HD PRO 31 10.104 -0.851 11.041 226 H ALA 32 H ALA 32 10.835 4.661 10.105 227 HA ALA 32 HA ALA 32 11.150 4.752 7.256 228 HB1 ALA 32 1HB ALA 32 11.784 7.134 7.686 229 HB2 ALA 32 2HB ALA 32 10.279 6.660 8.509 230 HB3 ALA 32 3HB ALA 32 11.803 6.795 9.428 231 H SER 33 H SER 33 13.403 4.704 9.956 232 HA SER 33 HA SER 33 15.676 4.542 10.131 233 HB2 SER 33 1HB SER 33 15.225 2.545 8.608 234 HB3 SER 33 2HB SER 33 15.732 3.573 7.254 235 HG SER 33 HG SER 33 17.390 2.215 8.290 236 H ARG 34 H ARG 34 17.801 5.093 8.547 237 HA ARG 34 HA ARG 34 17.296 7.648 7.141 238 HB2 ARG 34 1HB ARG 34 17.777 7.929 9.732 239 HB3 ARG 34 2HB ARG 34 19.455 7.672 9.236 240 HG2 ARG 34 1HG ARG 34 19.234 9.582 7.636 241 HG3 ARG 34 2HG ARG 34 17.568 9.826 8.193 242 HD2 ARG 34 1HD ARG 34 18.431 10.205 10.498 243 HD3 ARG 34 2HD ARG 34 20.088 10.050 9.873 244 HE ARG 34 HE ARG 34 18.697 12.002 8.338 245 HH11 ARG 34 1HH1 ARG 34 20.025 11.650 11.591 246 HH12 ARG 34 2HH1 ARG 34 20.274 13.365 11.774 247 HH21 ARG 34 1HH2 ARG 34 19.027 14.178 8.653 248 HH22 ARG 34 2HH2 ARG 34 19.718 14.767 10.139 249 H VAL 35 H VAL 35 18.237 4.850 6.608 250 HA VAL 35 HA VAL 35 20.669 5.563 5.106 251 HB VAL 35 HB VAL 35 21.616 3.220 5.871 252 HG11 VAL 35 1HG1 VAL 35 22.741 5.387 6.232 253 HG12 VAL 35 2HG1 VAL 35 21.768 5.656 7.694 254 HG13 VAL 35 3HG1 VAL 35 22.941 4.319 7.639 255 HG21 VAL 35 1HG2 VAL 35 21.147 2.596 8.175 256 HG22 VAL 35 2HG2 VAL 35 20.059 3.982 8.386 257 HG23 VAL 35 3HG2 VAL 35 19.611 2.653 7.292 258 H SER 36 H SER 36 19.565 5.393 3.268 259 HA SER 36 HA SER 36 17.684 3.311 2.679 260 HB2 SER 36 1HB SER 36 19.138 5.143 0.754 261 HB3 SER 36 2HB SER 36 17.546 4.375 0.540 262 HG SER 36 HG SER 36 17.133 6.421 1.237 263 H ARG 37 H ARG 37 19.193 1.492 3.296 264 HA ARG 37 HA ARG 37 21.230 0.797 1.264 265 HB2 ARG 37 1HB ARG 37 20.137 -0.899 3.550 266 HB3 ARG 37 2HB ARG 37 21.624 -1.177 2.639 267 HG2 ARG 37 1HG ARG 37 21.081 1.075 4.615 268 HG3 ARG 37 2HG ARG 37 22.159 -0.306 4.841 269 HD2 ARG 37 1HD ARG 37 23.541 0.541 2.909 270 HD3 ARG 37 2HD ARG 37 22.508 1.987 2.872 271 HE ARG 37 HE ARG 37 23.554 1.515 5.514 272 HH11 ARG 37 1HH1 ARG 37 24.485 2.855 2.381 273 HH12 ARG 37 2HH1 ARG 37 25.723 3.863 3.079 274 HH21 ARG 37 1HH2 ARG 37 25.150 2.834 6.329 275 HH22 ARG 37 2HH2 ARG 37 26.078 3.862 5.272 276 H ARG 38 H ARG 38 21.054 -1.503 0.319 277 HA ARG 38 HA ARG 38 18.498 -1.727 -1.067 278 HB2 ARG 38 1HB ARG 38 20.956 -3.524 -1.037 279 HB3 ARG 38 2HB ARG 38 19.554 -3.758 -2.085 280 HG2 ARG 38 1HG ARG 38 19.962 -1.542 -3.119 281 HG3 ARG 38 2HG ARG 38 21.424 -1.366 -2.123 282 HD2 ARG 38 1HD ARG 38 22.343 -3.438 -3.121 283 HD3 ARG 38 2HD ARG 38 20.884 -3.601 -4.119 284 HE ARG 38 HE ARG 38 21.958 -1.041 -4.615 285 HH11 ARG 38 1HH1 ARG 38 22.884 -4.403 -5.179 286 HH12 ARG 38 2HH1 ARG 38 23.830 -4.003 -6.587 287 HH21 ARG 38 1HH2 ARG 38 23.178 -0.611 -6.430 288 HH22 ARG 38 2HH2 ARG 38 23.990 -1.897 -7.278 289 H SER 39 H SER 39 19.316 -2.599 1.996 290 HA SER 39 HA SER 39 17.508 -4.973 1.976 291 HB2 SER 39 1HB SER 39 19.783 -4.373 3.898 292 HB3 SER 39 2HB SER 39 18.774 -5.837 3.857 293 HG SER 39 HG SER 39 19.635 -6.296 1.808 294 HA PRO 40 HA PRO 40 15.648 -1.713 4.633 295 HB2 PRO 40 1HB PRO 40 13.056 -1.955 3.872 296 HB3 PRO 40 2HB PRO 40 14.243 -1.087 2.845 297 HG2 PRO 40 1HG PRO 40 13.296 -3.938 2.650 298 HG3 PRO 40 2HG PRO 40 13.350 -2.681 1.372 299 HD2 PRO 40 1HD PRO 40 15.317 -4.538 1.662 300 HD3 PRO 40 2HD PRO 40 15.671 -2.855 1.136 301 H GLN 41 H GLN 41 13.843 -1.972 6.305 302 HA GLN 41 HA GLN 41 13.944 -4.637 7.519 303 HB2 GLN 41 1HB GLN 41 13.132 -1.908 8.285 304 HB3 GLN 41 2HB GLN 41 12.016 -3.140 8.869 305 HG2 GLN 41 1HG GLN 41 15.016 -3.136 9.355 306 HG3 GLN 41 2HG GLN 41 13.797 -2.566 10.502 307 HE21 GLN 41 1HE2 GLN 41 14.730 -6.046 11.398 308 HE22 GLN 41 2HE2 GLN 41 15.576 -4.528 11.226 309 H ARG 42 H ARG 42 11.741 -5.508 8.308 310 HA ARG 42 HA ARG 42 10.118 -6.089 5.975 311 HB2 ARG 42 1HB ARG 42 8.778 -7.417 7.510 312 HB3 ARG 42 2HB ARG 42 10.492 -7.712 7.780 313 HG2 ARG 42 1HG ARG 42 10.466 -6.298 9.784 314 HG3 ARG 42 2HG ARG 42 8.769 -5.878 9.496 315 HD2 ARG 42 1HD ARG 42 8.928 -7.600 11.211 316 HD3 ARG 42 2HD ARG 42 8.130 -8.228 9.774 317 HE ARG 42 HE ARG 42 11.000 -8.762 10.398 318 HH11 ARG 42 1HH1 ARG 42 7.848 -9.967 9.270 319 HH12 ARG 42 2HH1 ARG 42 8.483 -11.579 9.031 320 HH21 ARG 42 1HH2 ARG 42 11.694 -10.838 10.039 321 HH22 ARG 42 2HH2 ARG 42 10.599 -12.050 9.432 322 H GLY 43 H GLY 43 7.716 -5.738 5.885 323 HA2 GLY 43 1HA GLY 43 6.422 -3.789 7.407 324 HA3 GLY 43 2HA GLY 43 7.238 -2.929 6.111 325 H ILE 44 H ILE 44 6.180 -2.606 4.277 326 HA ILE 44 HA ILE 44 3.404 -3.015 4.272 327 HB ILE 44 HB ILE 44 4.585 -1.175 3.081 328 HG12 ILE 44 1HG1 ILE 44 3.391 -1.365 0.824 329 HG13 ILE 44 2HG1 ILE 44 2.785 -2.916 1.367 330 HG21 ILE 44 1HG2 ILE 44 5.343 -3.232 0.959 331 HG22 ILE 44 2HG2 ILE 44 5.711 -1.497 0.957 332 HG23 ILE 44 3HG2 ILE 44 6.472 -2.561 2.150 333 HD11 ILE 44 1HD1 ILE 44 1.636 -1.826 3.221 334 HD12 ILE 44 2HD1 ILE 44 2.300 -0.253 2.690 335 HD13 ILE 44 3HD1 ILE 44 1.187 -1.146 1.641 336 H VAL 45 H VAL 45 5.863 -5.032 2.727 337 HA VAL 45 HA VAL 45 4.122 -6.411 0.958 338 HB VAL 45 HB VAL 45 6.666 -7.509 2.262 339 HG11 VAL 45 1HG1 VAL 45 6.905 -8.764 0.141 340 HG12 VAL 45 2HG1 VAL 45 5.377 -9.170 0.943 341 HG13 VAL 45 3HG1 VAL 45 5.379 -8.068 -0.452 342 HG21 VAL 45 1HG2 VAL 45 6.334 -5.651 -0.139 343 HG22 VAL 45 2HG2 VAL 45 7.227 -5.319 1.367 344 HG23 VAL 45 3HG2 VAL 45 7.831 -6.536 0.232 345 H GLU 46 H GLU 46 4.802 -6.827 4.403 346 HA GLU 46 HA GLU 46 3.840 -9.515 4.632 347 HB2 GLU 46 1HB GLU 46 3.890 -7.263 6.668 348 HB3 GLU 46 2HB GLU 46 3.637 -8.974 7.036 349 HG2 GLU 46 1HG GLU 46 5.875 -9.498 6.193 350 HG3 GLU 46 2HG GLU 46 6.134 -7.793 5.780 351 H GLU 47 H GLU 47 2.239 -6.342 4.866 352 HA GLU 47 HA GLU 47 -0.261 -7.675 5.630 353 HB2 GLU 47 1HB GLU 47 0.446 -4.758 5.232 354 HB3 GLU 47 2HB GLU 47 -1.118 -5.360 5.802 355 HG2 GLU 47 1HG GLU 47 1.563 -5.719 7.191 356 HG3 GLU 47 2HG GLU 47 0.256 -4.631 7.686 357 H CYS 48 H CYS 48 1.093 -6.159 2.715 358 HA CYS 48 HA CYS 48 -1.621 -6.306 1.507 359 HB2 CYS 48 1HB CYS 48 0.908 -4.923 0.597 360 HB3 CYS 48 2HB CYS 48 -0.604 -4.961 -0.321 361 H CYS 49 H CYS 49 1.326 -8.120 1.413 362 HA CYS 49 HA CYS 49 0.395 -9.383 -1.145 363 HB2 CYS 49 1HB CYS 49 2.635 -8.297 -1.258 364 HB3 CYS 49 2HB CYS 49 3.188 -9.363 0.030 365 H PHE 50 H PHE 50 2.058 -10.133 1.977 366 HA PHE 50 HA PHE 50 1.429 -12.981 1.689 367 HB2 PHE 50 1HB PHE 50 2.523 -11.330 3.988 368 HB3 PHE 50 2HB PHE 50 2.225 -13.065 4.091 369 HD1 PHE 50 1HD PHE 50 4.522 -10.491 2.943 370 HD2 PHE 50 2HD PHE 50 3.464 -14.638 2.548 371 HE1 PHE 50 1HE PHE 50 6.768 -10.960 1.983 372 HE2 PHE 50 2HE PHE 50 5.707 -15.121 1.575 373 HZ PHE 50 HZ PHE 50 7.367 -13.280 1.295 374 H ARG 51 H ARG 51 -0.188 -10.179 2.755 375 HA ARG 51 HA ARG 51 -2.507 -11.830 3.625 376 HB2 ARG 51 1HB ARG 51 -1.543 -9.268 4.960 377 HB3 ARG 51 2HB ARG 51 -3.072 -10.071 5.297 378 HG2 ARG 51 1HG ARG 51 -1.821 -12.040 6.086 379 HG3 ARG 51 2HG ARG 51 -0.313 -11.127 5.862 380 HD2 ARG 51 1HD ARG 51 -0.836 -10.770 8.128 381 HD3 ARG 51 2HD ARG 51 -1.428 -9.307 7.314 382 HE ARG 51 HE ARG 51 -3.307 -11.562 7.740 383 HH11 ARG 51 1HH1 ARG 51 -2.380 -8.250 8.638 384 HH12 ARG 51 2HH1 ARG 51 -3.886 -7.998 9.483 385 HH21 ARG 51 1HH2 ARG 51 -5.180 -11.122 8.822 386 HH22 ARG 51 2HH2 ARG 51 -5.430 -9.572 9.576 387 H SER 52 H SER 52 -4.291 -9.831 3.852 388 HA SER 52 HA SER 52 -4.089 -8.272 1.299 389 HB2 SER 52 1HB SER 52 -6.586 -8.285 1.329 390 HB3 SER 52 2HB SER 52 -5.911 -9.924 1.185 391 HG SER 52 HG SER 52 -6.689 -8.726 3.646 392 H CYS 53 H CYS 53 -4.558 -6.066 1.481 393 HA CYS 53 HA CYS 53 -4.963 -5.059 4.263 394 HB2 CYS 53 1HB CYS 53 -3.342 -3.303 3.804 395 HB3 CYS 53 2HB CYS 53 -2.591 -4.880 3.561 396 H ASP 54 H ASP 54 -5.390 -2.564 4.077 397 HA ASP 54 HA ASP 54 -7.294 -2.029 1.825 398 HB2 ASP 54 1HB ASP 54 -8.539 -2.316 3.965 399 HB3 ASP 54 2HB ASP 54 -7.459 -1.134 4.735 400 H LEU 55 H LEU 55 -7.355 0.316 1.326 401 HA LEU 55 HA LEU 55 -4.745 1.428 1.121 402 HB2 LEU 55 1HB LEU 55 -5.834 3.420 0.308 403 HB3 LEU 55 2HB LEU 55 -6.560 1.984 -0.396 404 HG LEU 55 HG LEU 55 -8.198 2.537 1.804 405 HD11 LEU 55 1HD1 LEU 55 -8.789 4.905 1.566 406 HD12 LEU 55 2HD1 LEU 55 -7.500 5.129 0.360 407 HD13 LEU 55 3HD1 LEU 55 -7.089 4.745 2.048 408 HD21 LEU 55 1HD2 LEU 55 -8.927 1.745 -0.392 409 HD22 LEU 55 2HD2 LEU 55 -8.523 3.323 -1.117 410 HD23 LEU 55 3HD2 LEU 55 -9.834 3.194 0.081 411 H ALA 56 H ALA 56 -7.226 1.824 3.659 412 HA ALA 56 HA ALA 56 -6.013 4.108 4.884 413 HB1 ALA 56 1HB ALA 56 -7.655 1.869 6.139 414 HB2 ALA 56 2HB ALA 56 -7.330 3.463 6.867 415 HB3 ALA 56 3HB ALA 56 -8.310 3.341 5.385 416 H LEU 57 H LEU 57 -5.570 0.602 5.374 417 HA LEU 57 HA LEU 57 -3.670 0.888 7.535 418 HB2 LEU 57 1HB LEU 57 -4.995 -1.168 7.098 419 HB3 LEU 57 2HB LEU 57 -4.124 -1.404 5.580 420 HG LEU 57 HG LEU 57 -2.370 -1.084 7.928 421 HD11 LEU 57 1HD1 LEU 57 -4.201 -3.503 7.715 422 HD12 LEU 57 2HD1 LEU 57 -4.203 -2.285 9.015 423 HD13 LEU 57 3HD1 LEU 57 -2.802 -3.357 8.803 424 HD21 LEU 57 1HD2 LEU 57 -1.183 -2.932 6.923 425 HD22 LEU 57 2HD2 LEU 57 -1.624 -1.794 5.637 426 HD23 LEU 57 3HD2 LEU 57 -2.550 -3.298 5.856 427 H LEU 58 H LEU 58 -3.512 0.558 4.023 428 HA LEU 58 HA LEU 58 -0.723 0.191 3.731 429 HB2 LEU 58 1HB LEU 58 -2.722 0.050 2.096 430 HB3 LEU 58 2HB LEU 58 -2.520 1.774 1.888 431 HG LEU 58 HG LEU 58 -0.618 -0.415 1.076 432 HD11 LEU 58 1HD1 LEU 58 -2.608 -0.070 -0.261 433 HD12 LEU 58 2HD1 LEU 58 -1.127 0.414 -1.119 434 HD13 LEU 58 3HD1 LEU 58 -2.192 1.662 -0.412 435 HD21 LEU 58 1HD2 LEU 58 0.602 1.477 -0.082 436 HD22 LEU 58 2HD2 LEU 58 0.833 1.359 1.668 437 HD23 LEU 58 3HD2 LEU 58 -0.265 2.577 1.004 438 H GLU 59 H GLU 59 -2.710 3.171 3.867 439 HA GLU 59 HA GLU 59 -0.638 4.988 3.282 440 HB2 GLU 59 1HB GLU 59 -3.099 5.412 3.320 441 HB3 GLU 59 2HB GLU 59 -3.036 5.480 5.083 442 HG2 GLU 59 1HG GLU 59 -1.815 7.480 5.083 443 HG3 GLU 59 2HG GLU 59 -1.234 7.230 3.434 444 H THR 60 H THR 60 -1.113 3.181 6.222 445 HA THR 60 HA THR 60 0.241 5.052 7.948 446 HB THR 60 HB THR 60 0.362 3.307 9.587 447 HG1 THR 60 1HG THR 60 -0.468 1.479 7.550 448 HG21 THR 60 1HG2 THR 60 -1.893 4.295 9.039 449 HG22 THR 60 2HG2 THR 60 -1.975 2.652 9.719 450 HG23 THR 60 3HG2 THR 60 -2.196 2.908 7.975 451 H TYR 61 H TYR 61 1.383 3.024 5.436 452 HA TYR 61 HA TYR 61 4.158 2.927 6.507 453 HB2 TYR 61 1HB TYR 61 2.902 1.929 3.925 454 HB3 TYR 61 2HB TYR 61 4.607 1.754 4.342 455 HD1 TYR 61 1HD TYR 61 1.153 0.664 5.255 456 HD2 TYR 61 2HD TYR 61 5.366 0.090 5.914 457 HE1 TYR 61 1HE TYR 61 0.678 -1.467 6.442 458 HE2 TYR 61 2HE TYR 61 4.863 -2.042 7.101 459 HH TYR 61 HH TYR 61 3.254 -3.640 7.549 460 H CYS 62 H CYS 62 2.222 5.202 5.067 461 HA CYS 62 HA CYS 62 4.067 6.264 3.080 462 HB2 CYS 62 1HB CYS 62 1.515 6.594 3.282 463 HB3 CYS 62 2HB CYS 62 1.887 7.770 4.538 464 H ALA 63 H ALA 63 5.177 8.375 3.353 465 HA ALA 63 HA ALA 63 6.692 8.409 5.797 466 HB1 ALA 63 1HB ALA 63 7.564 9.172 3.629 467 HB2 ALA 63 2HB ALA 63 6.391 10.506 3.636 468 HB3 ALA 63 3HB ALA 63 7.677 10.455 4.860 469 H THR 64 H THR 64 3.822 10.128 4.693 470 HA THR 64 HA THR 64 3.480 11.163 7.444 471 HB THR 64 HB THR 64 2.421 13.276 6.317 472 HG1 THR 64 1HG THR 64 4.338 12.564 4.336 473 HG21 THR 64 1HG2 THR 64 4.453 13.326 7.722 474 HG22 THR 64 2HG2 THR 64 4.548 14.474 6.365 475 HG23 THR 64 3HG2 THR 64 5.442 12.938 6.293 476 HA PRO 65 HA PRO 65 -0.450 9.420 6.709 477 HB2 PRO 65 1HB PRO 65 -2.078 10.730 8.448 478 HB3 PRO 65 2HB PRO 65 -0.712 9.720 9.018 479 HG2 PRO 65 1HG PRO 65 -0.804 12.692 8.581 480 HG3 PRO 65 2HG PRO 65 -0.306 11.786 10.045 481 HD2 PRO 65 1HD PRO 65 1.495 12.691 8.254 482 HD3 PRO 65 2HD PRO 65 1.722 11.115 9.082 483 H ALA 66 H ALA 66 -2.901 10.050 6.437 484 HA ALA 66 HA ALA 66 -3.215 11.288 3.973 485 HB1 ALA 66 1HB ALA 66 -5.328 11.108 6.168 486 HB2 ALA 66 2HB ALA 66 -5.605 11.175 4.411 487 HB3 ALA 66 3HB ALA 66 -4.844 9.747 5.133 488 H LYS 67 H LYS 67 -3.692 13.245 3.207 489 HA LYS 67 HA LYS 67 -3.819 15.477 5.176 490 HB2 LYS 67 1HB LYS 67 -1.860 15.220 3.449 491 HB3 LYS 67 2HB LYS 67 -3.046 15.783 2.269 492 HG2 LYS 67 1HG LYS 67 -1.724 17.665 2.973 493 HG3 LYS 67 2HG LYS 67 -3.341 17.868 3.663 494 HD2 LYS 67 1HD LYS 67 -2.509 16.961 5.830 495 HD3 LYS 67 2HD LYS 67 -0.888 16.805 5.122 496 HE2 LYS 67 1HE LYS 67 -0.833 19.241 4.719 497 HE3 LYS 67 2HE LYS 67 -2.467 19.393 5.403 498 HZ1 LYS 67 1HZ LYS 67 -1.599 18.560 7.502 499 HZ2 LYS 67 2HZ LYS 67 -0.769 19.910 7.042 500 HZ3 LYS 67 3HZ LYS 67 -0.082 18.419 6.871 501 H SER 68 H SER 68 -5.800 13.626 3.717 502 HA SER 68 HA SER 68 -7.474 15.582 2.284 503 HB2 SER 68 1HB SER 68 -7.221 13.232 1.458 504 HB3 SER 68 2HB SER 68 -8.024 12.658 2.936 505 HG SER 68 HG SER 68 -9.525 12.898 1.259 506 H GLU 69 H GLU 69 -8.024 17.020 3.943 507 HA GLU 69 HA GLU 69 -9.208 16.047 6.412 508 HB2 GLU 69 1HB GLU 69 -7.906 18.193 6.243 509 HB3 GLU 69 2HB GLU 69 -9.210 18.898 5.294 510 HG2 GLU 69 1HG GLU 69 -9.504 19.606 7.617 511 HG3 GLU 69 2HG GLU 69 -10.795 18.473 7.247 Start of MODEL 2 1 HA ALA 1 HA ALA 1 -10.582 -17.659 -5.996 2 HB1 ALA 1 1HB ALA 1 -10.209 -16.430 -8.136 3 HB2 ALA 1 2HB ALA 1 -10.992 -17.984 -8.462 4 HB3 ALA 1 3HB ALA 1 -11.947 -16.492 -8.487 5 H TYR 2 H TYR 2 -9.678 -15.381 -6.262 6 HA TYR 2 HA TYR 2 -11.346 -13.580 -4.567 7 HB2 TYR 2 1HB TYR 2 -8.341 -13.790 -5.013 8 HB3 TYR 2 2HB TYR 2 -9.120 -12.517 -4.086 9 HD1 TYR 2 1HD TYR 2 -10.549 -13.195 -2.024 10 HD2 TYR 2 2HD TYR 2 -7.763 -15.856 -3.951 11 HE1 TYR 2 1HE TYR 2 -10.486 -14.620 0.021 12 HE2 TYR 2 2HE TYR 2 -7.707 -17.271 -1.893 13 HH TYR 2 HH TYR 2 -9.634 -16.494 1.008 14 H ARG 3 H ARG 3 -11.140 -11.249 -5.030 15 HA ARG 3 HA ARG 3 -11.390 -10.681 -7.841 16 HB2 ARG 3 1HB ARG 3 -11.037 -8.858 -5.425 17 HB3 ARG 3 2HB ARG 3 -11.374 -8.285 -7.057 18 HG2 ARG 3 1HG ARG 3 -13.503 -9.555 -7.051 19 HG3 ARG 3 2HG ARG 3 -13.183 -10.046 -5.371 20 HD2 ARG 3 1HD ARG 3 -13.151 -7.696 -4.669 21 HD3 ARG 3 2HD ARG 3 -13.400 -7.177 -6.351 22 HE ARG 3 HE ARG 3 -15.486 -8.970 -5.601 23 HH11 ARG 3 1HH1 ARG 3 -14.441 -5.664 -4.938 24 HH12 ARG 3 2HH1 ARG 3 -16.063 -5.120 -4.601 25 HH21 ARG 3 1HH2 ARG 3 -17.529 -8.201 -5.161 26 HH22 ARG 3 2HH2 ARG 3 -17.776 -6.535 -4.722 27 HA PRO 4 HA PRO 4 -7.141 -10.182 -8.874 28 HB2 PRO 4 1HB PRO 4 -7.914 -7.602 -10.233 29 HB3 PRO 4 2HB PRO 4 -7.019 -9.005 -10.894 30 HG2 PRO 4 1HG PRO 4 -9.539 -8.597 -11.577 31 HG3 PRO 4 2HG PRO 4 -8.964 -10.247 -11.190 32 HD2 PRO 4 1HD PRO 4 -10.548 -8.346 -9.462 33 HD3 PRO 4 2HD PRO 4 -10.768 -10.105 -9.743 34 H SER 5 H SER 5 -8.834 -7.319 -7.588 35 HA SER 5 HA SER 5 -6.272 -6.035 -6.947 36 HB2 SER 5 1HB SER 5 -7.708 -4.076 -6.450 37 HB3 SER 5 2HB SER 5 -8.039 -4.744 -8.062 38 HG SER 5 HG SER 5 -9.549 -4.983 -5.685 39 H GLU 6 H GLU 6 -6.805 -8.317 -5.382 40 HA GLU 6 HA GLU 6 -7.526 -7.148 -2.725 41 HB2 GLU 6 1HB GLU 6 -6.842 -9.998 -3.522 42 HB3 GLU 6 2HB GLU 6 -7.268 -9.477 -1.894 43 HG2 GLU 6 1HG GLU 6 -9.059 -9.353 -4.325 44 HG3 GLU 6 2HG GLU 6 -9.153 -10.544 -3.029 45 H THR 7 H THR 7 -4.801 -8.354 -4.605 46 HA THR 7 HA THR 7 -3.002 -7.817 -2.272 47 HB THR 7 HB THR 7 -1.528 -9.620 -3.278 48 HG1 THR 7 1HG THR 7 -2.633 -9.554 -5.356 49 HG21 THR 7 1HG2 THR 7 -3.017 -10.086 -1.340 50 HG22 THR 7 2HG2 THR 7 -2.810 -11.499 -2.396 51 HG23 THR 7 3HG2 THR 7 -4.313 -10.557 -2.471 52 H LEU 8 H LEU 8 -0.963 -7.066 -2.663 53 HA LEU 8 HA LEU 8 -0.324 -6.098 -5.422 54 HB2 LEU 8 1HB LEU 8 -0.209 -4.583 -2.804 55 HB3 LEU 8 2HB LEU 8 0.624 -4.067 -4.253 56 HG LEU 8 HG LEU 8 -2.363 -4.356 -4.108 57 HD11 LEU 8 1HD1 LEU 8 -2.422 -1.944 -3.759 58 HD12 LEU 8 2HD1 LEU 8 -0.645 -1.902 -3.676 59 HD13 LEU 8 3HD1 LEU 8 -1.584 -2.755 -2.423 60 HD21 LEU 8 1HD2 LEU 8 -1.458 -4.386 -6.356 61 HD22 LEU 8 2HD2 LEU 8 -0.468 -2.945 -6.011 62 HD23 LEU 8 3HD2 LEU 8 -2.240 -2.822 -6.062 63 H CYS 9 H CYS 9 1.732 -6.657 -5.951 64 HA CYS 9 HA CYS 9 3.738 -6.894 -3.796 65 HB2 CYS 9 1HB CYS 9 2.428 -9.149 -4.359 66 HB3 CYS 9 2HB CYS 9 3.556 -9.193 -5.721 67 H GLY 10 H GLY 10 5.951 -7.239 -4.727 68 HA2 GLY 10 1HA GLY 10 7.608 -6.596 -6.195 69 HA3 GLY 10 2HA GLY 10 6.482 -7.041 -7.490 70 H GLY 11 H GLY 11 6.986 -5.384 -8.882 71 HA2 GLY 11 1HA GLY 11 7.203 -2.653 -8.081 72 HA3 GLY 11 2HA GLY 11 6.965 -3.248 -9.729 73 H GLU 12 H GLU 12 4.381 -4.639 -8.748 74 HA GLU 12 HA GLU 12 2.614 -2.507 -9.486 75 HB2 GLU 12 1HB GLU 12 2.231 -4.979 -9.777 76 HB3 GLU 12 2HB GLU 12 1.935 -5.092 -8.041 77 HG2 GLU 12 1HG GLU 12 0.014 -3.600 -8.248 78 HG3 GLU 12 2HG GLU 12 0.332 -3.405 -9.977 79 H LEU 13 H LEU 13 3.641 -3.895 -6.362 80 HA LEU 13 HA LEU 13 1.805 -2.349 -4.757 81 HB2 LEU 13 1HB LEU 13 2.972 -4.336 -3.919 82 HB3 LEU 13 2HB LEU 13 4.530 -3.554 -4.128 83 HG LEU 13 HG LEU 13 4.127 -2.046 -2.321 84 HD11 LEU 13 1HD1 LEU 13 1.701 -1.607 -2.634 85 HD12 LEU 13 2HD1 LEU 13 2.103 -2.028 -0.971 86 HD13 LEU 13 3HD1 LEU 13 1.349 -3.236 -2.017 87 HD21 LEU 13 1HD2 LEU 13 3.825 -3.684 -0.473 88 HD22 LEU 13 2HD2 LEU 13 4.932 -4.263 -1.734 89 HD23 LEU 13 3HD2 LEU 13 3.263 -4.887 -1.653 90 H VAL 14 H VAL 14 5.161 -1.811 -5.928 91 HA VAL 14 HA VAL 14 5.619 0.620 -4.511 92 HB VAL 14 HB VAL 14 6.737 -0.223 -7.233 93 HG11 VAL 14 1HG1 VAL 14 7.110 2.161 -6.854 94 HG12 VAL 14 2HG1 VAL 14 7.699 1.842 -5.206 95 HG13 VAL 14 3HG1 VAL 14 8.639 1.294 -6.614 96 HG21 VAL 14 1HG2 VAL 14 8.676 -1.058 -5.968 97 HG22 VAL 14 2HG2 VAL 14 7.881 -0.626 -4.441 98 HG23 VAL 14 3HG2 VAL 14 7.202 -1.904 -5.472 99 H ASP 15 H ASP 15 4.246 -0.044 -7.748 100 HA ASP 15 HA ASP 15 3.898 2.658 -8.544 101 HB2 ASP 15 1HB ASP 15 3.646 0.613 -9.989 102 HB3 ASP 15 2HB ASP 15 2.098 0.290 -9.188 103 H THR 16 H THR 16 1.852 0.517 -6.548 104 HA THR 16 HA THR 16 -0.333 2.385 -6.447 105 HB THR 16 HB THR 16 0.308 0.270 -4.354 106 HG1 THR 16 1HG THR 16 0.321 -0.628 -6.491 107 HG21 THR 16 1HG2 THR 16 -2.268 1.493 -5.416 108 HG22 THR 16 2HG2 THR 16 -1.517 1.834 -3.836 109 HG23 THR 16 3HG2 THR 16 -2.147 0.216 -4.195 110 H LEU 17 H LEU 17 2.499 1.800 -4.328 111 HA LEU 17 HA LEU 17 1.712 3.596 -2.227 112 HB2 LEU 17 1HB LEU 17 4.367 2.588 -3.270 113 HB3 LEU 17 2HB LEU 17 4.280 3.750 -1.949 114 HG LEU 17 HG LEU 17 2.592 1.310 -1.685 115 HD11 LEU 17 1HD1 LEU 17 4.441 0.003 -0.823 116 HD12 LEU 17 2HD1 LEU 17 5.582 1.265 -1.347 117 HD13 LEU 17 3HD1 LEU 17 4.619 0.363 -2.544 118 HD21 LEU 17 1HD2 LEU 17 4.415 2.796 0.248 119 HD22 LEU 17 2HD2 LEU 17 3.212 1.553 0.661 120 HD23 LEU 17 3HD2 LEU 17 2.679 3.122 0.027 121 H GLN 18 H GLN 18 3.411 4.038 -5.326 122 HA GLN 18 HA GLN 18 3.993 6.836 -4.938 123 HB2 GLN 18 1HB GLN 18 3.780 5.094 -7.408 124 HB3 GLN 18 2HB GLN 18 4.302 6.783 -7.448 125 HG2 GLN 18 1HG GLN 18 6.244 6.304 -6.112 126 HG3 GLN 18 2HG GLN 18 5.676 4.672 -5.754 127 HE21 GLN 18 1HE2 GLN 18 8.084 5.169 -8.817 128 HE22 GLN 18 2HE2 GLN 18 7.883 6.288 -7.489 129 H PHE 19 H PHE 19 1.199 5.056 -6.251 130 HA PHE 19 HA PHE 19 -0.092 7.434 -7.289 131 HB2 PHE 19 1HB PHE 19 -0.539 5.138 -8.103 132 HB3 PHE 19 2HB PHE 19 -1.252 4.727 -6.542 133 HD1 PHE 19 1HD PHE 19 -1.646 6.878 -9.559 134 HD2 PHE 19 2HD PHE 19 -3.505 5.333 -5.995 135 HE1 PHE 19 1HE PHE 19 -3.850 7.730 -10.347 136 HE2 PHE 19 2HE PHE 19 -5.717 6.182 -6.774 137 HZ PHE 19 HZ PHE 19 -5.895 7.383 -8.954 138 H VAL 20 H VAL 20 -0.545 5.516 -4.270 139 HA VAL 20 HA VAL 20 -2.772 7.150 -3.435 140 HB VAL 20 HB VAL 20 -2.378 4.714 -2.785 141 HG11 VAL 20 1HG1 VAL 20 -0.497 5.842 -0.684 142 HG12 VAL 20 2HG1 VAL 20 -0.945 4.152 -0.970 143 HG13 VAL 20 3HG1 VAL 20 0.039 5.012 -2.157 144 HG21 VAL 20 1HG2 VAL 20 -2.817 6.610 -0.454 145 HG22 VAL 20 2HG2 VAL 20 -4.049 6.132 -1.644 146 HG23 VAL 20 3HG2 VAL 20 -3.343 4.911 -0.559 147 H CYS 21 H CYS 21 0.685 7.444 -2.983 148 HA CYS 21 HA CYS 21 0.185 9.904 -1.376 149 HB2 CYS 21 1HB CYS 21 2.082 7.643 -0.702 150 HB3 CYS 21 2HB CYS 21 2.255 9.272 -0.030 151 H GLY 22 H GLY 22 2.829 8.045 -3.002 152 HA2 GLY 22 1HA GLY 22 4.526 8.799 -4.357 153 HA3 GLY 22 2HA GLY 22 3.374 10.014 -4.896 154 H ASP 23 H ASP 23 3.613 12.082 -4.373 155 HA ASP 23 HA ASP 23 6.126 13.159 -3.644 156 HB2 ASP 23 1HB ASP 23 4.471 14.437 -4.874 157 HB3 ASP 23 2HB ASP 23 3.296 14.264 -3.562 158 H ARG 24 H ARG 24 3.329 12.262 -1.664 159 HA ARG 24 HA ARG 24 4.256 13.677 0.688 160 HB2 ARG 24 1HB ARG 24 2.357 11.312 0.593 161 HB3 ARG 24 2HB ARG 24 2.468 12.548 1.846 162 HG2 ARG 24 1HG ARG 24 1.465 12.916 -1.010 163 HG3 ARG 24 2HG ARG 24 0.493 12.944 0.461 164 HD2 ARG 24 1HD ARG 24 2.670 14.961 -0.259 165 HD3 ARG 24 2HD ARG 24 0.927 15.208 -0.465 166 HE ARG 24 HE ARG 24 1.282 14.523 2.216 167 HH11 ARG 24 1HH1 ARG 24 2.409 17.123 0.112 168 HH12 ARG 24 2HH1 ARG 24 2.456 18.285 1.413 169 HH21 ARG 24 1HH2 ARG 24 1.373 16.063 3.836 170 HH22 ARG 24 2HH2 ARG 24 1.890 17.687 3.489 171 H GLY 25 H GLY 25 5.523 10.989 -0.827 172 HA2 GLY 25 1HA GLY 25 7.305 9.694 -0.170 173 HA3 GLY 25 2HA GLY 25 7.255 10.447 1.431 174 H PHE 26 H PHE 26 7.766 7.668 0.951 175 HA PHE 26 HA PHE 26 5.813 6.591 2.793 176 HB2 PHE 26 1HB PHE 26 5.119 4.695 1.360 177 HB3 PHE 26 2HB PHE 26 4.513 6.242 0.775 178 HD1 PHE 26 1HD PHE 26 6.994 3.543 0.138 179 HD2 PHE 26 2HD PHE 26 5.150 7.130 -1.364 180 HE1 PHE 26 1HE PHE 26 7.969 3.099 -2.108 181 HE2 PHE 26 2HE PHE 26 6.120 6.694 -3.609 182 HZ PHE 26 HZ PHE 26 7.519 4.668 -3.988 183 H TYR 27 H TYR 27 6.321 4.370 3.457 184 HA TYR 27 HA TYR 27 9.162 3.627 2.873 185 HB2 TYR 27 1HB TYR 27 7.788 3.631 5.588 186 HB3 TYR 27 2HB TYR 27 9.405 3.001 5.251 187 HD1 TYR 27 1HD TYR 27 7.440 5.976 6.015 188 HD2 TYR 27 2HD TYR 27 11.232 4.618 4.479 189 HE1 TYR 27 1HE TYR 27 8.424 8.229 6.417 190 HE2 TYR 27 2HE TYR 27 12.191 6.890 4.865 191 HH TYR 27 HH TYR 27 10.258 9.567 6.221 192 H PHE 28 H PHE 28 9.596 1.375 3.036 193 HA PHE 28 HA PHE 28 7.216 -0.277 2.487 194 HB2 PHE 28 1HB PHE 28 10.069 -0.328 1.870 195 HB3 PHE 28 2HB PHE 28 9.515 -1.894 2.474 196 HD1 PHE 28 1HD PHE 28 8.612 -3.418 0.965 197 HD2 PHE 28 2HD PHE 28 8.483 0.773 0.009 198 HE1 PHE 28 1HE PHE 28 7.643 -3.964 -1.263 199 HE2 PHE 28 2HE PHE 28 7.521 0.237 -2.223 200 HZ PHE 28 HZ PHE 28 7.076 -2.137 -2.852 201 H SER 29 H SER 29 9.280 0.486 5.106 202 HA SER 29 HA SER 29 8.498 -1.962 6.634 203 HB2 SER 29 1HB SER 29 10.476 -1.178 8.076 204 HB3 SER 29 2HB SER 29 10.883 -1.778 6.454 205 HG SER 29 HG SER 29 10.973 0.838 7.458 206 H ARG 30 H ARG 30 8.065 -1.484 8.987 207 HA ARG 30 HA ARG 30 6.423 0.870 9.218 208 HB2 ARG 30 1HB ARG 30 7.233 -1.130 11.318 209 HB3 ARG 30 2HB ARG 30 6.169 0.242 11.640 210 HG2 ARG 30 1HG ARG 30 5.478 -1.622 9.404 211 HG3 ARG 30 2HG ARG 30 5.244 -2.168 11.068 212 HD2 ARG 30 1HD ARG 30 3.159 -1.139 10.150 213 HD3 ARG 30 2HD ARG 30 3.778 -0.237 11.548 214 HE ARG 30 HE ARG 30 4.877 0.927 9.225 215 HH11 ARG 30 1HH1 ARG 30 1.650 0.652 10.656 216 HH12 ARG 30 2HH1 ARG 30 1.134 2.146 9.925 217 HH21 ARG 30 1HH2 ARG 30 4.167 2.795 8.410 218 HH22 ARG 30 2HH2 ARG 30 2.533 3.349 8.671 219 HA PRO 31 HA PRO 31 9.829 2.798 11.731 220 HB2 PRO 31 1HB PRO 31 12.361 1.742 11.576 221 HB3 PRO 31 2HB PRO 31 11.198 1.308 12.864 222 HG2 PRO 31 1HG PRO 31 11.813 -0.172 10.294 223 HG3 PRO 31 2HG PRO 31 11.701 -0.824 11.959 224 HD2 PRO 31 1HD PRO 31 9.688 -1.002 10.195 225 HD3 PRO 31 2HD PRO 31 9.402 -0.761 11.945 226 H ALA 32 H ALA 32 10.608 4.521 10.636 227 HA ALA 32 HA ALA 32 10.757 4.425 7.762 228 HB1 ALA 32 1HB ALA 32 9.991 6.446 8.860 229 HB2 ALA 32 2HB ALA 32 11.504 6.579 9.792 230 HB3 ALA 32 3HB ALA 32 11.523 6.817 8.033 231 H SER 33 H SER 33 13.177 4.928 10.312 232 HA SER 33 HA SER 33 15.419 4.919 10.376 233 HB2 SER 33 1HB SER 33 15.296 2.854 8.199 234 HB3 SER 33 2HB SER 33 16.408 2.974 9.575 235 HG SER 33 HG SER 33 13.722 2.152 9.496 236 H ARG 34 H ARG 34 17.449 4.511 8.563 237 HA ARG 34 HA ARG 34 16.952 6.193 6.204 238 HB2 ARG 34 1HB ARG 34 17.558 7.668 8.258 239 HB3 ARG 34 2HB ARG 34 19.198 7.042 8.054 240 HG2 ARG 34 1HG ARG 34 19.300 7.988 5.792 241 HG3 ARG 34 2HG ARG 34 17.592 8.455 5.879 242 HD2 ARG 34 1HD ARG 34 18.118 9.979 7.766 243 HD3 ARG 34 2HD ARG 34 19.826 9.527 7.643 244 HE ARG 34 HE ARG 34 20.059 10.844 5.744 245 HH11 ARG 34 1HH1 ARG 34 16.617 10.695 6.555 246 HH12 ARG 34 2HH1 ARG 34 16.214 11.981 5.452 247 HH21 ARG 34 1HH2 ARG 34 19.455 12.469 4.356 248 HH22 ARG 34 2HH2 ARG 34 17.789 12.959 4.228 249 H VAL 35 H VAL 35 17.482 3.470 6.473 250 HA VAL 35 HA VAL 35 20.289 3.289 5.474 251 HB VAL 35 HB VAL 35 20.197 0.870 6.378 252 HG11 VAL 35 1HG1 VAL 35 21.617 2.669 7.275 253 HG12 VAL 35 2HG1 VAL 35 20.282 3.229 8.304 254 HG13 VAL 35 3HG1 VAL 35 21.009 1.624 8.579 255 HG21 VAL 35 1HG2 VAL 35 17.701 0.933 6.930 256 HG22 VAL 35 2HG2 VAL 35 18.742 0.433 8.275 257 HG23 VAL 35 3HG2 VAL 35 18.084 2.077 8.239 258 H SER 36 H SER 36 19.326 3.743 3.410 259 HA SER 36 HA SER 36 17.669 1.649 2.205 260 HB2 SER 36 1HB SER 36 17.547 4.088 1.562 261 HB3 SER 36 2HB SER 36 19.142 3.910 0.803 262 HG SER 36 HG SER 36 17.385 3.595 -0.668 263 H ARG 37 H ARG 37 19.411 0.077 3.053 264 HA ARG 37 HA ARG 37 21.705 -0.160 1.148 265 HB2 ARG 37 1HB ARG 37 21.080 -1.631 3.744 266 HB3 ARG 37 2HB ARG 37 22.531 -1.868 2.764 267 HG2 ARG 37 1HG ARG 37 21.774 0.743 4.141 268 HG3 ARG 37 2HG ARG 37 22.947 -0.442 4.740 269 HD2 ARG 37 1HD ARG 37 24.248 -0.144 2.603 270 HD3 ARG 37 2HD ARG 37 23.146 1.179 2.171 271 HE ARG 37 HE ARG 37 24.206 1.646 4.779 272 HH11 ARG 37 1HH1 ARG 37 25.289 1.681 1.415 273 HH12 ARG 37 2HH1 ARG 37 26.535 2.857 1.733 274 HH21 ARG 37 1HH2 ARG 37 25.825 3.141 5.104 275 HH22 ARG 37 2HH2 ARG 37 26.830 3.661 3.779 276 H ARG 38 H ARG 38 18.884 -0.691 0.504 277 HA ARG 38 HA ARG 38 17.576 -2.185 -0.626 278 HB2 ARG 38 1HB ARG 38 20.193 -3.609 -1.224 279 HB3 ARG 38 2HB ARG 38 18.666 -3.820 -2.083 280 HG2 ARG 38 1HG ARG 38 18.733 -1.465 -2.815 281 HG3 ARG 38 2HG ARG 38 20.284 -1.252 -1.976 282 HD2 ARG 38 1HD ARG 38 21.299 -3.001 -3.390 283 HD3 ARG 38 2HD ARG 38 19.749 -3.220 -4.229 284 HE ARG 38 HE ARG 38 20.459 -0.481 -4.388 285 HH11 ARG 38 1HH1 ARG 38 21.615 -3.563 -5.669 286 HH12 ARG 38 2HH1 ARG 38 22.273 -2.823 -7.104 287 HH21 ARG 38 1HH2 ARG 38 21.316 0.386 -6.252 288 HH22 ARG 38 2HH2 ARG 38 22.106 -0.633 -7.423 289 H SER 39 H SER 39 18.447 -2.841 2.279 290 HA SER 39 HA SER 39 18.051 -5.747 2.331 291 HB2 SER 39 1HB SER 39 18.235 -3.767 4.628 292 HB3 SER 39 2HB SER 39 18.435 -5.531 4.711 293 HG SER 39 HG SER 39 20.228 -5.149 3.155 294 HA PRO 40 HA PRO 40 13.712 -4.696 2.710 295 HB2 PRO 40 1HB PRO 40 12.583 -7.163 2.599 296 HB3 PRO 40 2HB PRO 40 13.309 -6.398 1.147 297 HG2 PRO 40 1HG PRO 40 14.532 -8.399 3.039 298 HG3 PRO 40 2HG PRO 40 14.437 -8.454 1.247 299 HD2 PRO 40 1HD PRO 40 16.650 -7.566 2.555 300 HD3 PRO 40 2HD PRO 40 16.116 -6.844 0.995 301 H GLN 41 H GLN 41 12.023 -4.913 4.297 302 HA GLN 41 HA GLN 41 12.613 -6.537 6.706 303 HB2 GLN 41 1HB GLN 41 11.902 -3.576 6.744 304 HB3 GLN 41 2HB GLN 41 11.865 -4.644 8.147 305 HG2 GLN 41 1HG GLN 41 14.334 -5.066 7.752 306 HG3 GLN 41 2HG GLN 41 14.290 -3.733 6.586 307 HE21 GLN 41 1HE2 GLN 41 15.275 -2.515 10.004 308 HE22 GLN 41 2HE2 GLN 41 15.865 -3.768 8.939 309 H ARG 42 H ARG 42 10.582 -6.694 8.029 310 HA ARG 42 HA ARG 42 8.321 -7.148 6.277 311 HB2 ARG 42 1HB ARG 42 7.129 -7.788 8.289 312 HB3 ARG 42 2HB ARG 42 8.699 -8.576 8.209 313 HG2 ARG 42 1HG ARG 42 9.584 -7.006 9.875 314 HG3 ARG 42 2HG ARG 42 8.004 -6.189 9.955 315 HD2 ARG 42 1HD ARG 42 6.938 -8.264 10.705 316 HD3 ARG 42 2HD ARG 42 8.463 -9.142 10.520 317 HE ARG 42 HE ARG 42 9.309 -8.175 12.473 318 HH11 ARG 42 1HH1 ARG 42 6.094 -6.856 11.819 319 HH12 ARG 42 2HH1 ARG 42 5.944 -6.194 13.426 320 HH21 ARG 42 1HH2 ARG 42 9.041 -7.301 14.493 321 HH22 ARG 42 2HH2 ARG 42 7.586 -6.440 14.906 322 H GLY 43 H GLY 43 6.232 -6.172 6.463 323 HA2 GLY 43 1HA GLY 43 5.428 -3.857 7.677 324 HA3 GLY 43 2HA GLY 43 6.563 -3.285 6.436 325 H ILE 44 H ILE 44 5.518 -2.589 4.685 326 HA ILE 44 HA ILE 44 2.812 -3.090 4.118 327 HB ILE 44 HB ILE 44 4.236 -1.176 3.245 328 HG12 ILE 44 1HG1 ILE 44 3.330 -1.337 0.799 329 HG13 ILE 44 2HG1 ILE 44 2.517 -2.793 1.358 330 HG21 ILE 44 1HG2 ILE 44 5.607 -1.430 1.269 331 HG22 ILE 44 2HG2 ILE 44 6.176 -2.588 2.480 332 HG23 ILE 44 3HG2 ILE 44 5.188 -3.149 1.125 333 HD11 ILE 44 1HD1 ILE 44 1.360 -1.451 3.079 334 HD12 ILE 44 2HD1 ILE 44 2.184 0.003 2.451 335 HD13 ILE 44 3HD1 ILE 44 1.054 -0.889 1.418 336 H VAL 45 H VAL 45 5.663 -4.930 3.002 337 HA VAL 45 HA VAL 45 4.309 -6.383 0.964 338 HB VAL 45 HB VAL 45 6.678 -7.342 2.644 339 HG11 VAL 45 1HG1 VAL 45 7.268 -8.632 0.609 340 HG12 VAL 45 2HG1 VAL 45 5.669 -9.106 1.211 341 HG13 VAL 45 3HG1 VAL 45 5.803 -8.037 -0.204 342 HG21 VAL 45 1HG2 VAL 45 7.230 -5.149 1.776 343 HG22 VAL 45 2HG2 VAL 45 8.065 -6.353 0.782 344 HG23 VAL 45 3HG2 VAL 45 6.592 -5.567 0.167 345 H GLU 46 H GLU 46 4.703 -7.022 4.447 346 HA GLU 46 HA GLU 46 3.562 -9.674 4.332 347 HB2 GLU 46 1HB GLU 46 4.159 -7.695 6.496 348 HB3 GLU 46 2HB GLU 46 3.001 -8.986 6.840 349 HG2 GLU 46 1HG GLU 46 4.681 -10.672 6.148 350 HG3 GLU 46 2HG GLU 46 5.862 -9.371 5.911 351 H GLU 47 H GLU 47 2.198 -6.420 4.543 352 HA GLU 47 HA GLU 47 -0.427 -7.485 5.280 353 HB2 GLU 47 1HB GLU 47 0.408 -4.697 4.423 354 HB3 GLU 47 2HB GLU 47 -1.170 -5.158 5.076 355 HG2 GLU 47 1HG GLU 47 1.499 -5.255 6.518 356 HG3 GLU 47 2HG GLU 47 0.158 -4.152 6.838 357 H CYS 48 H CYS 48 1.113 -6.211 2.303 358 HA CYS 48 HA CYS 48 -1.481 -6.595 0.926 359 HB2 CYS 48 1HB CYS 48 1.053 -5.162 0.099 360 HB3 CYS 48 2HB CYS 48 -0.427 -5.259 -0.860 361 H CYS 49 H CYS 49 1.619 -8.215 0.999 362 HA CYS 49 HA CYS 49 0.942 -9.484 -1.632 363 HB2 CYS 49 1HB CYS 49 3.132 -8.342 -1.500 364 HB3 CYS 49 2HB CYS 49 3.596 -9.402 -0.165 365 H PHE 50 H PHE 50 2.105 -10.225 1.689 366 HA PHE 50 HA PHE 50 1.729 -13.095 1.288 367 HB2 PHE 50 1HB PHE 50 2.250 -11.367 3.721 368 HB3 PHE 50 2HB PHE 50 1.955 -13.101 3.843 369 HD1 PHE 50 1HD PHE 50 4.317 -10.548 2.508 370 HD2 PHE 50 2HD PHE 50 3.603 -14.722 3.237 371 HE1 PHE 50 1HE PHE 50 6.720 -11.024 2.065 372 HE2 PHE 50 2HE PHE 50 6.004 -15.215 2.792 373 HZ PHE 50 HZ PHE 50 7.568 -13.365 2.207 374 H ARG 51 H ARG 51 -0.274 -10.412 2.109 375 HA ARG 51 HA ARG 51 -2.616 -12.196 2.386 376 HB2 ARG 51 1HB ARG 51 -1.858 -10.063 4.439 377 HB3 ARG 51 2HB ARG 51 -3.467 -10.784 4.298 378 HG2 ARG 51 1HG ARG 51 -2.328 -13.042 4.593 379 HG3 ARG 51 2HG ARG 51 -0.904 -12.127 5.129 380 HD2 ARG 51 1HD ARG 51 -3.679 -12.051 6.360 381 HD3 ARG 51 2HD ARG 51 -2.248 -12.853 7.037 382 HE ARG 51 HE ARG 51 -1.740 -10.061 6.558 383 HH11 ARG 51 1HH1 ARG 51 -3.364 -12.212 8.840 384 HH12 ARG 51 2HH1 ARG 51 -3.262 -11.063 10.145 385 HH21 ARG 51 1HH2 ARG 51 -1.668 -8.623 8.269 386 HH22 ARG 51 2HH2 ARG 51 -2.313 -9.073 9.823 387 H SER 52 H SER 52 -4.583 -10.520 2.511 388 HA SER 52 HA SER 52 -4.187 -8.685 0.230 389 HB2 SER 52 1HB SER 52 -6.678 -8.454 0.433 390 HB3 SER 52 2HB SER 52 -6.143 -10.136 0.217 391 HG SER 52 HG SER 52 -6.758 -8.902 2.708 392 H CYS 53 H CYS 53 -4.775 -6.425 0.312 393 HA CYS 53 HA CYS 53 -5.233 -5.295 3.014 394 HB2 CYS 53 1HB CYS 53 -3.452 -3.737 2.906 395 HB3 CYS 53 2HB CYS 53 -2.750 -5.312 2.570 396 H ASP 54 H ASP 54 -5.794 -2.995 2.939 397 HA ASP 54 HA ASP 54 -7.260 -2.302 0.419 398 HB2 ASP 54 1HB ASP 54 -7.705 -1.582 3.343 399 HB3 ASP 54 2HB ASP 54 -8.458 -0.686 2.015 400 H LEU 55 H LEU 55 -7.247 -0.053 -0.202 401 HA LEU 55 HA LEU 55 -4.692 1.197 -0.135 402 HB2 LEU 55 1HB LEU 55 -5.774 3.100 -1.144 403 HB3 LEU 55 2HB LEU 55 -6.330 1.605 -1.879 404 HG LEU 55 HG LEU 55 -8.297 2.066 -0.002 405 HD11 LEU 55 1HD1 LEU 55 -8.949 4.423 -0.210 406 HD12 LEU 55 2HD1 LEU 55 -7.491 4.767 -1.170 407 HD13 LEU 55 3HD1 LEU 55 -7.345 4.298 0.539 408 HD21 LEU 55 1HD2 LEU 55 -8.179 3.032 -2.883 409 HD22 LEU 55 2HD2 LEU 55 -9.658 2.769 -1.930 410 HD23 LEU 55 3HD2 LEU 55 -8.614 1.392 -2.342 411 H ALA 56 H ALA 56 -7.419 1.466 2.082 412 HA ALA 56 HA ALA 56 -6.576 3.891 3.365 413 HB1 ALA 56 1HB ALA 56 -8.855 2.992 3.616 414 HB2 ALA 56 2HB ALA 56 -8.218 1.543 4.435 415 HB3 ALA 56 3HB ALA 56 -8.072 3.141 5.205 416 H LEU 57 H LEU 57 -5.977 0.423 4.062 417 HA LEU 57 HA LEU 57 -4.337 0.873 6.383 418 HB2 LEU 57 1HB LEU 57 -5.408 -1.292 5.821 419 HB3 LEU 57 2HB LEU 57 -4.390 -1.439 4.391 420 HG LEU 57 HG LEU 57 -2.967 -1.049 6.966 421 HD11 LEU 57 1HD1 LEU 57 -3.224 -3.419 7.610 422 HD12 LEU 57 2HD1 LEU 57 -4.401 -3.650 6.294 423 HD13 LEU 57 3HD1 LEU 57 -4.778 -2.562 7.655 424 HD21 LEU 57 1HD2 LEU 57 -1.450 -2.728 6.035 425 HD22 LEU 57 2HD2 LEU 57 -1.739 -1.445 4.852 426 HD23 LEU 57 3HD2 LEU 57 -2.559 -3.011 4.680 427 H LEU 58 H LEU 58 -3.760 0.505 2.925 428 HA LEU 58 HA LEU 58 -0.945 0.398 2.920 429 HB2 LEU 58 1HB LEU 58 -2.798 0.121 1.102 430 HB3 LEU 58 2HB LEU 58 -2.607 1.843 0.861 431 HG LEU 58 HG LEU 58 -0.598 -0.335 0.313 432 HD11 LEU 58 1HD1 LEU 58 -0.874 0.464 -1.949 433 HD12 LEU 58 2HD1 LEU 58 -2.022 1.707 -1.382 434 HD13 LEU 58 3HD1 LEU 58 -2.433 -0.025 -1.250 435 HD21 LEU 58 1HD2 LEU 58 0.760 1.460 1.050 436 HD22 LEU 58 2HD2 LEU 58 -0.268 2.660 0.262 437 HD23 LEU 58 3HD2 LEU 58 0.725 1.569 -0.715 438 H GLU 59 H GLU 59 -3.159 3.212 2.810 439 HA GLU 59 HA GLU 59 -1.243 5.221 2.386 440 HB2 GLU 59 1HB GLU 59 -3.741 5.450 2.323 441 HB3 GLU 59 2HB GLU 59 -3.756 5.414 4.092 442 HG2 GLU 59 1HG GLU 59 -2.394 7.470 4.150 443 HG3 GLU 59 2HG GLU 59 -2.358 7.492 2.385 444 H THR 60 H THR 60 -1.932 3.450 5.377 445 HA THR 60 HA THR 60 -0.790 5.416 7.126 446 HB THR 60 HB THR 60 -0.793 3.749 8.842 447 HG1 THR 60 1HG THR 60 -1.229 1.785 6.815 448 HG21 THR 60 1HG2 THR 60 -3.103 3.030 6.990 449 HG22 THR 60 2HG2 THR 60 -3.032 4.539 7.924 450 HG23 THR 60 3HG2 THR 60 -3.069 2.972 8.764 451 H TYR 61 H TYR 61 0.717 3.301 4.870 452 HA TYR 61 HA TYR 61 3.290 3.252 6.340 453 HB2 TYR 61 1HB TYR 61 2.308 2.059 3.750 454 HB3 TYR 61 2HB TYR 61 4.026 2.125 4.142 455 HD1 TYR 61 1HD TYR 61 0.752 0.719 5.260 456 HD2 TYR 61 2HD TYR 61 5.030 0.683 5.771 457 HE1 TYR 61 1HE TYR 61 0.567 -1.317 6.683 458 HE2 TYR 61 2HE TYR 61 4.836 -1.353 7.196 459 HH TYR 61 HH TYR 61 1.679 -2.838 7.972 460 H CYS 62 H CYS 62 1.684 5.570 4.656 461 HA CYS 62 HA CYS 62 3.885 6.555 3.044 462 HB2 CYS 62 1HB CYS 62 1.383 7.930 4.043 463 HB3 CYS 62 2HB CYS 62 2.518 8.572 2.830 464 H ALA 63 H ALA 63 4.920 8.693 3.505 465 HA ALA 63 HA ALA 63 6.174 8.467 6.103 466 HB1 ALA 63 1HB ALA 63 7.383 9.183 4.049 467 HB2 ALA 63 2HB ALA 63 6.402 10.666 4.008 468 HB3 ALA 63 3HB ALA 63 7.519 10.383 5.356 469 H THR 64 H THR 64 3.553 10.391 4.797 470 HA THR 64 HA THR 64 3.621 12.303 7.004 471 HB THR 64 HB THR 64 1.374 12.995 5.982 472 HG1 THR 64 1HG THR 64 1.073 10.913 4.931 473 HG21 THR 64 1HG2 THR 64 3.810 12.942 4.163 474 HG22 THR 64 2HG2 THR 64 3.516 14.111 5.480 475 HG23 THR 64 3HG2 THR 64 2.442 14.066 4.064 476 HA PRO 65 HA PRO 65 0.908 10.014 9.644 477 HB2 PRO 65 1HB PRO 65 -0.160 11.983 11.183 478 HB3 PRO 65 2HB PRO 65 1.591 11.609 11.235 479 HG2 PRO 65 1HG PRO 65 0.148 13.746 9.697 480 HG3 PRO 65 2HG PRO 65 1.585 13.899 10.751 481 HD2 PRO 65 1HD PRO 65 1.734 13.702 8.045 482 HD3 PRO 65 2HD PRO 65 3.011 13.052 9.124 483 H ALA 66 H ALA 66 -1.512 10.264 10.527 484 HA ALA 66 HA ALA 66 -3.244 10.207 8.218 485 HB1 ALA 66 1HB ALA 66 -3.888 10.054 11.197 486 HB2 ALA 66 2HB ALA 66 -4.986 9.625 9.866 487 HB3 ALA 66 3HB ALA 66 -3.509 8.673 10.136 488 H LYS 67 H LYS 67 -2.491 12.593 7.812 489 HA LYS 67 HA LYS 67 -3.058 14.780 7.538 490 HB2 LYS 67 1HB LYS 67 -5.241 13.374 6.973 491 HB3 LYS 67 2HB LYS 67 -5.897 14.291 8.333 492 HG2 LYS 67 1HG LYS 67 -5.191 16.407 7.178 493 HG3 LYS 67 2HG LYS 67 -4.646 15.428 5.800 494 HD2 LYS 67 1HD LYS 67 -6.942 14.557 5.515 495 HD3 LYS 67 2HD LYS 67 -7.479 15.550 6.891 496 HE2 LYS 67 1HE LYS 67 -6.751 17.595 5.683 497 HE3 LYS 67 2HE LYS 67 -6.274 16.591 4.297 498 HZ1 LYS 67 1HZ LYS 67 -8.478 17.528 3.999 499 HZ2 LYS 67 2HZ LYS 67 -9.024 16.819 5.385 500 HZ3 LYS 67 3HZ LYS 67 -8.583 15.886 4.097 501 H SER 68 H SER 68 -2.337 13.932 10.318 502 HA SER 68 HA SER 68 -3.499 16.284 11.755 503 HB2 SER 68 1HB SER 68 -4.068 14.127 12.821 504 HB3 SER 68 2HB SER 68 -2.345 13.705 12.893 505 HG SER 68 HG SER 68 -2.012 15.436 14.284 506 H GLU 69 H GLU 69 -2.044 17.860 11.308 507 HA GLU 69 HA GLU 69 0.805 17.291 11.089 508 HB2 GLU 69 1HB GLU 69 -0.500 18.987 9.713 509 HB3 GLU 69 2HB GLU 69 -0.585 20.015 11.141 510 HG2 GLU 69 1HG GLU 69 1.885 20.165 11.219 511 HG3 GLU 69 2HG GLU 69 2.032 18.981 9.915 Start of MODEL 3 1 HA ALA 1 HA ALA 1 -15.239 -13.099 -12.590 2 HB1 ALA 1 1HB ALA 1 -13.210 -13.632 -13.932 3 HB2 ALA 1 2HB ALA 1 -14.617 -13.415 -14.990 4 HB3 ALA 1 3HB ALA 1 -13.405 -12.126 -14.848 5 H TYR 2 H TYR 2 -13.637 -13.388 -11.124 6 HA TYR 2 HA TYR 2 -12.705 -10.930 -9.849 7 HB2 TYR 2 1HB TYR 2 -12.129 -13.840 -9.190 8 HB3 TYR 2 2HB TYR 2 -11.789 -12.451 -8.152 9 HD1 TYR 2 1HD TYR 2 -13.806 -11.031 -7.333 10 HD2 TYR 2 2HD TYR 2 -14.253 -14.926 -9.115 11 HE1 TYR 2 1HE TYR 2 -16.100 -11.216 -6.367 12 HE2 TYR 2 2HE TYR 2 -16.547 -15.098 -8.143 13 HH TYR 2 HH TYR 2 -17.983 -12.501 -6.170 14 H ARG 3 H ARG 3 -10.572 -10.219 -9.711 15 HA ARG 3 HA ARG 3 -8.775 -11.045 -11.819 16 HB2 ARG 3 1HB ARG 3 -8.339 -9.329 -9.355 17 HB3 ARG 3 2HB ARG 3 -7.142 -9.552 -10.630 18 HG2 ARG 3 1HG ARG 3 -8.734 -8.537 -12.252 19 HG3 ARG 3 2HG ARG 3 -9.859 -8.222 -10.909 20 HD2 ARG 3 1HD ARG 3 -8.127 -6.855 -9.786 21 HD3 ARG 3 2HD ARG 3 -7.003 -7.192 -11.110 22 HE ARG 3 HE ARG 3 -8.181 -5.744 -12.523 23 HH11 ARG 3 1HH1 ARG 3 -9.826 -5.909 -9.380 24 HH12 ARG 3 2HH1 ARG 3 -10.779 -4.488 -9.726 25 HH21 ARG 3 1HH2 ARG 3 -9.443 -3.961 -12.869 26 HH22 ARG 3 2HH2 ARG 3 -10.565 -3.413 -11.654 27 HA PRO 4 HA PRO 4 -6.993 -14.542 -9.731 28 HB2 PRO 4 1HB PRO 4 -4.387 -13.539 -10.877 29 HB3 PRO 4 2HB PRO 4 -5.113 -15.171 -10.970 30 HG2 PRO 4 1HG PRO 4 -5.164 -13.585 -13.066 31 HG3 PRO 4 2HG PRO 4 -6.616 -14.534 -12.615 32 HD2 PRO 4 1HD PRO 4 -6.043 -11.609 -12.139 33 HD3 PRO 4 2HD PRO 4 -7.545 -12.415 -12.704 34 H SER 5 H SER 5 -5.427 -11.366 -9.379 35 HA SER 5 HA SER 5 -4.878 -11.917 -6.583 36 HB2 SER 5 1HB SER 5 -2.629 -11.238 -8.530 37 HB3 SER 5 2HB SER 5 -2.490 -11.281 -6.760 38 HG SER 5 HG SER 5 -3.562 -13.586 -7.574 39 H GLU 6 H GLU 6 -5.734 -10.204 -5.732 40 HA GLU 6 HA GLU 6 -5.369 -7.532 -7.031 41 HB2 GLU 6 1HB GLU 6 -7.272 -8.323 -4.791 42 HB3 GLU 6 2HB GLU 6 -7.170 -6.748 -5.599 43 HG2 GLU 6 1HG GLU 6 -7.550 -8.142 -7.760 44 HG3 GLU 6 2HG GLU 6 -8.198 -9.360 -6.647 45 H THR 7 H THR 7 -4.001 -9.585 -4.898 46 HA THR 7 HA THR 7 -3.318 -7.894 -2.680 47 HB THR 7 HB THR 7 -1.280 -9.700 -2.846 48 HG1 THR 7 1HG THR 7 -2.135 -11.574 -3.809 49 HG21 THR 7 1HG2 THR 7 -4.143 -10.326 -1.998 50 HG22 THR 7 2HG2 THR 7 -2.909 -9.526 -0.990 51 HG23 THR 7 3HG2 THR 7 -2.688 -11.215 -1.489 52 H LEU 8 H LEU 8 -1.498 -6.658 -2.357 53 HA LEU 8 HA LEU 8 -0.271 -5.714 -4.901 54 HB2 LEU 8 1HB LEU 8 -0.623 -4.401 -2.205 55 HB3 LEU 8 2HB LEU 8 0.177 -3.674 -3.587 56 HG LEU 8 HG LEU 8 -2.723 -4.509 -3.594 57 HD11 LEU 8 1HD1 LEU 8 -2.348 -2.772 -1.919 58 HD12 LEU 8 2HD1 LEU 8 -3.210 -2.113 -3.325 59 HD13 LEU 8 3HD1 LEU 8 -1.475 -1.787 -3.119 60 HD21 LEU 8 1HD2 LEU 8 -1.119 -2.709 -5.444 61 HD22 LEU 8 2HD2 LEU 8 -2.845 -3.112 -5.594 62 HD23 LEU 8 3HD2 LEU 8 -1.621 -4.382 -5.811 63 H CYS 9 H CYS 9 1.637 -6.406 -5.304 64 HA CYS 9 HA CYS 9 3.530 -6.883 -3.026 65 HB2 CYS 9 1HB CYS 9 2.469 -8.663 -4.951 66 HB3 CYS 9 2HB CYS 9 4.159 -8.409 -5.398 67 H GLY 10 H GLY 10 3.601 -6.386 -6.594 68 HA2 GLY 10 1HA GLY 10 6.385 -5.451 -6.361 69 HA3 GLY 10 2HA GLY 10 5.507 -5.835 -7.844 70 H GLY 11 H GLY 11 5.815 -4.027 -9.053 71 HA2 GLY 11 1HA GLY 11 5.873 -1.383 -8.049 72 HA3 GLY 11 2HA GLY 11 5.549 -1.842 -9.728 73 H GLU 12 H GLU 12 3.149 -3.458 -8.723 74 HA GLU 12 HA GLU 12 1.136 -1.487 -9.078 75 HB2 GLU 12 1HB GLU 12 1.028 -4.070 -9.312 76 HB3 GLU 12 2HB GLU 12 0.778 -4.094 -7.565 77 HG2 GLU 12 1HG GLU 12 -1.387 -4.169 -8.467 78 HG3 GLU 12 2HG GLU 12 -1.177 -2.480 -7.978 79 H LEU 13 H LEU 13 2.677 -2.845 -6.158 80 HA LEU 13 HA LEU 13 0.865 -1.632 -4.277 81 HB2 LEU 13 1HB LEU 13 2.345 -3.525 -3.729 82 HB3 LEU 13 2HB LEU 13 3.759 -2.536 -4.031 83 HG LEU 13 HG LEU 13 3.398 -1.214 -2.093 84 HD11 LEU 13 1HD1 LEU 13 1.581 -1.477 -0.539 85 HD12 LEU 13 2HD1 LEU 13 0.866 -2.780 -1.502 86 HD13 LEU 13 3HD1 LEU 13 0.892 -1.113 -2.121 87 HD21 LEU 13 1HD2 LEU 13 2.943 -4.158 -1.532 88 HD22 LEU 13 2HD2 LEU 13 3.575 -2.969 -0.385 89 HD23 LEU 13 3HD2 LEU 13 4.505 -3.368 -1.842 90 H VAL 14 H VAL 14 3.963 -0.672 -5.762 91 HA VAL 14 HA VAL 14 4.342 1.692 -4.214 92 HB VAL 14 HB VAL 14 5.247 1.147 -7.087 93 HG11 VAL 14 1HG1 VAL 14 6.353 3.028 -4.968 94 HG12 VAL 14 2HG1 VAL 14 7.047 2.756 -6.583 95 HG13 VAL 14 3HG1 VAL 14 5.455 3.518 -6.416 96 HG21 VAL 14 1HG2 VAL 14 6.009 -0.660 -5.595 97 HG22 VAL 14 2HG2 VAL 14 7.376 0.377 -6.043 98 HG23 VAL 14 3HG2 VAL 14 6.632 0.538 -4.436 99 H ASP 15 H ASP 15 2.585 1.019 -7.258 100 HA ASP 15 HA ASP 15 1.880 3.732 -7.825 101 HB2 ASP 15 1HB ASP 15 1.583 1.875 -9.434 102 HB3 ASP 15 2HB ASP 15 0.328 1.181 -8.397 103 H THR 16 H THR 16 0.265 1.223 -5.796 104 HA THR 16 HA THR 16 -1.989 2.876 -5.187 105 HB THR 16 HB THR 16 -0.788 0.720 -3.409 106 HG1 THR 16 1HG THR 16 -2.579 0.516 -5.619 107 HG21 THR 16 1HG2 THR 16 -3.647 1.669 -3.842 108 HG22 THR 16 2HG2 THR 16 -2.628 2.084 -2.441 109 HG23 THR 16 3HG2 THR 16 -3.106 0.396 -2.723 110 H LEU 17 H LEU 17 1.167 2.424 -3.496 111 HA LEU 17 HA LEU 17 0.520 4.050 -1.238 112 HB2 LEU 17 1HB LEU 17 3.111 3.353 -2.617 113 HB3 LEU 17 2HB LEU 17 3.070 4.441 -1.224 114 HG LEU 17 HG LEU 17 1.598 1.872 -0.902 115 HD11 LEU 17 1HD1 LEU 17 4.615 1.997 -0.974 116 HD12 LEU 17 2HD1 LEU 17 3.553 1.122 -2.103 117 HD13 LEU 17 3HD1 LEU 17 3.629 0.628 -0.408 118 HD21 LEU 17 1HD2 LEU 17 3.630 3.231 0.903 119 HD22 LEU 17 2HD2 LEU 17 2.431 2.004 1.348 120 HD23 LEU 17 3HD2 LEU 17 1.904 3.636 0.898 121 H GLN 18 H GLN 18 1.768 4.853 -4.478 122 HA GLN 18 HA GLN 18 2.092 7.665 -3.937 123 HB2 GLN 18 1HB GLN 18 1.748 6.111 -6.514 124 HB3 GLN 18 2HB GLN 18 1.984 7.861 -6.450 125 HG2 GLN 18 1HG GLN 18 4.117 7.498 -5.228 126 HG3 GLN 18 2HG GLN 18 3.916 5.760 -5.451 127 HE21 GLN 18 1HE2 GLN 18 4.976 5.754 -8.777 128 HE22 GLN 18 2HE2 GLN 18 4.307 4.848 -7.439 129 H PHE 19 H PHE 19 -0.681 5.679 -4.988 130 HA PHE 19 HA PHE 19 -2.302 7.974 -5.699 131 HB2 PHE 19 1HB PHE 19 -2.669 5.640 -6.513 132 HB3 PHE 19 2HB PHE 19 -3.154 5.174 -4.879 133 HD1 PHE 19 1HD PHE 19 -4.082 7.169 -7.863 134 HD2 PHE 19 2HD PHE 19 -5.328 5.778 -3.985 135 HE1 PHE 19 1HE PHE 19 -6.419 7.868 -8.371 136 HE2 PHE 19 2HE PHE 19 -7.669 6.474 -4.482 137 HZ PHE 19 HZ PHE 19 -8.219 7.522 -6.681 138 H VAL 20 H VAL 20 -1.962 5.970 -2.744 139 HA VAL 20 HA VAL 20 -4.117 7.336 -1.379 140 HB VAL 20 HB VAL 20 -1.960 5.422 -0.343 141 HG11 VAL 20 1HG1 VAL 20 -4.470 6.448 1.045 142 HG12 VAL 20 2HG1 VAL 20 -3.462 5.096 1.620 143 HG13 VAL 20 3HG1 VAL 20 -2.787 6.730 1.547 144 HG21 VAL 20 1HG2 VAL 20 -3.457 4.436 -2.000 145 HG22 VAL 20 2HG2 VAL 20 -3.754 3.764 -0.389 146 HG23 VAL 20 3HG2 VAL 20 -4.868 4.977 -1.068 147 H CYS 21 H CYS 21 -0.549 7.690 -1.325 148 HA CYS 21 HA CYS 21 -0.945 10.039 0.514 149 HB2 CYS 21 1HB CYS 21 1.407 8.153 0.306 150 HB3 CYS 21 2HB CYS 21 1.276 9.529 1.410 151 H GLY 22 H GLY 22 0.167 9.264 -2.618 152 HA2 GLY 22 1HA GLY 22 1.096 10.821 -4.119 153 HA3 GLY 22 2HA GLY 22 1.598 11.847 -2.767 154 H ASP 23 H ASP 23 3.356 11.412 -4.764 155 HA ASP 23 HA ASP 23 5.115 9.157 -4.200 156 HB2 ASP 23 1HB ASP 23 4.743 10.297 -6.463 157 HB3 ASP 23 2HB ASP 23 5.727 11.633 -5.848 158 H ARG 24 H ARG 24 4.515 11.420 -2.144 159 HA ARG 24 HA ARG 24 6.966 12.896 -1.847 160 HB2 ARG 24 1HB ARG 24 4.814 12.355 0.230 161 HB3 ARG 24 2HB ARG 24 6.026 13.642 0.263 162 HG2 ARG 24 1HG ARG 24 4.911 14.200 -2.125 163 HG3 ARG 24 2HG ARG 24 3.524 13.394 -1.365 164 HD2 ARG 24 1HD ARG 24 3.316 15.725 -0.928 165 HD3 ARG 24 2HD ARG 24 3.830 14.971 0.599 166 HE ARG 24 HE ARG 24 6.199 15.694 -0.624 167 HH11 ARG 24 1HH1 ARG 24 3.311 17.515 0.256 168 HH12 ARG 24 2HH1 ARG 24 4.201 19.003 0.465 169 HH21 ARG 24 1HH2 ARG 24 7.267 17.616 -0.327 170 HH22 ARG 24 2HH2 ARG 24 6.404 19.056 0.139 171 H GLY 25 H GLY 25 6.084 9.694 -0.896 172 HA2 GLY 25 1HA GLY 25 8.346 8.534 -0.436 173 HA3 GLY 25 2HA GLY 25 8.399 9.593 0.978 174 H PHE 26 H PHE 26 8.367 6.665 0.798 175 HA PHE 26 HA PHE 26 6.403 6.165 2.882 176 HB2 PHE 26 1HB PHE 26 5.589 4.095 1.471 177 HB3 PHE 26 2HB PHE 26 4.796 5.660 1.272 178 HD1 PHE 26 1HD PHE 26 4.791 6.821 -0.797 179 HD2 PHE 26 2HD PHE 26 7.305 3.365 -0.281 180 HE1 PHE 26 1HE PHE 26 5.281 6.825 -3.226 181 HE2 PHE 26 2HE PHE 26 7.796 3.359 -2.719 182 HZ PHE 26 HZ PHE 26 6.788 5.103 -4.190 183 H TYR 27 H TYR 27 6.785 4.003 3.789 184 HA TYR 27 HA TYR 27 9.564 3.069 3.150 185 HB2 TYR 27 1HB TYR 27 8.069 2.995 5.796 186 HB3 TYR 27 2HB TYR 27 9.732 2.461 5.510 187 HD1 TYR 27 1HD TYR 27 11.352 4.347 4.480 188 HD2 TYR 27 2HD TYR 27 7.710 5.170 6.629 189 HE1 TYR 27 1HE TYR 27 12.167 6.648 5.001 190 HE2 TYR 27 2HE TYR 27 8.556 7.447 7.173 191 HH TYR 27 HH TYR 27 10.245 8.951 6.940 192 H PHE 28 H PHE 28 9.895 0.841 2.974 193 HA PHE 28 HA PHE 28 7.388 -0.670 2.610 194 HB2 PHE 28 1HB PHE 28 10.088 -0.758 1.467 195 HB3 PHE 28 2HB PHE 28 9.423 -2.353 1.826 196 HD1 PHE 28 1HD PHE 28 8.472 -3.377 -0.031 197 HD2 PHE 28 2HD PHE 28 7.969 0.870 0.451 198 HE1 PHE 28 1HE PHE 28 7.083 -3.310 -2.097 199 HE2 PHE 28 2HE PHE 28 6.589 0.942 -1.614 200 HZ PHE 28 HZ PHE 28 6.129 -1.152 -2.882 201 H SER 29 H SER 29 9.299 -0.085 5.139 202 HA SER 29 HA SER 29 8.448 -2.535 6.552 203 HB2 SER 29 1HB SER 29 10.723 -2.689 7.632 204 HB3 SER 29 2HB SER 29 10.756 -3.101 5.904 205 HG SER 29 HG SER 29 11.604 -0.683 7.144 206 H ARG 30 H ARG 30 8.212 -1.959 8.853 207 HA ARG 30 HA ARG 30 7.649 0.818 9.179 208 HB2 ARG 30 1HB ARG 30 7.710 -1.301 11.319 209 HB3 ARG 30 2HB ARG 30 7.021 0.323 11.466 210 HG2 ARG 30 1HG ARG 30 5.646 -0.350 9.378 211 HG3 ARG 30 2HG ARG 30 6.071 -2.010 9.834 212 HD2 ARG 30 1HD ARG 30 4.999 -1.729 11.997 213 HD3 ARG 30 2HD ARG 30 4.760 0.002 11.706 214 HE ARG 30 HE ARG 30 3.167 -2.220 10.620 215 HH11 ARG 30 1HH1 ARG 30 3.843 1.256 10.363 216 HH12 ARG 30 2HH1 ARG 30 2.320 1.566 9.568 217 HH21 ARG 30 1HH2 ARG 30 1.260 -1.719 9.603 218 HH22 ARG 30 2HH2 ARG 30 0.900 -0.058 9.174 219 HA PRO 31 HA PRO 31 11.417 1.276 11.902 220 HB2 PRO 31 1HB PRO 31 13.478 -0.519 11.648 221 HB3 PRO 31 2HB PRO 31 12.172 -0.702 12.862 222 HG2 PRO 31 1HG PRO 31 12.404 -1.992 10.130 223 HG3 PRO 31 2HG PRO 31 12.011 -2.760 11.700 224 HD2 PRO 31 1HD PRO 31 10.118 -2.065 9.926 225 HD3 PRO 31 2HD PRO 31 9.851 -1.923 11.687 226 H ALA 32 H ALA 32 12.773 2.761 11.090 227 HA ALA 32 HA ALA 32 13.776 2.390 8.294 228 HB1 ALA 32 1HB ALA 32 13.021 4.954 9.750 229 HB2 ALA 32 2HB ALA 32 13.619 4.833 8.079 230 HB3 ALA 32 3HB ALA 32 12.040 4.136 8.510 231 H SER 33 H SER 33 14.663 2.578 11.534 232 HA SER 33 HA SER 33 17.000 4.219 11.359 233 HB2 SER 33 1HB SER 33 16.575 2.125 13.472 234 HB3 SER 33 2HB SER 33 17.180 3.789 13.635 235 HG SER 33 HG SER 33 15.164 4.525 13.641 236 H ARG 34 H ARG 34 17.068 1.963 9.417 237 HA ARG 34 HA ARG 34 18.519 0.367 8.619 238 HB2 ARG 34 1HB ARG 34 19.906 2.539 8.953 239 HB3 ARG 34 2HB ARG 34 20.690 1.651 10.260 240 HG2 ARG 34 1HG ARG 34 21.232 -0.161 8.550 241 HG3 ARG 34 2HG ARG 34 20.648 0.959 7.301 242 HD2 ARG 34 1HD ARG 34 22.289 2.636 8.053 243 HD3 ARG 34 2HD ARG 34 22.860 1.512 9.302 244 HE ARG 34 HE ARG 34 23.021 0.225 6.772 245 HH11 ARG 34 1HH1 ARG 34 24.645 2.802 8.555 246 HH12 ARG 34 2HH1 ARG 34 26.148 2.571 7.703 247 HH21 ARG 34 1HH2 ARG 34 24.976 -0.014 5.729 248 HH22 ARG 34 2HH2 ARG 34 26.329 1.003 6.139 249 H VAL 35 H VAL 35 17.096 -0.678 10.749 250 HA VAL 35 HA VAL 35 19.148 -2.370 12.078 251 HB VAL 35 HB VAL 35 17.376 -2.685 13.910 252 HG11 VAL 35 1HG1 VAL 35 18.699 0.031 13.538 253 HG12 VAL 35 2HG1 VAL 35 18.092 -0.616 15.081 254 HG13 VAL 35 3HG1 VAL 35 19.441 -1.416 14.245 255 HG21 VAL 35 1HG2 VAL 35 16.281 -0.069 12.748 256 HG22 VAL 35 2HG2 VAL 35 15.454 -1.643 12.662 257 HG23 VAL 35 3HG2 VAL 35 15.745 -0.876 14.234 258 H SER 36 H SER 36 19.130 -4.375 11.648 259 HA SER 36 HA SER 36 16.613 -5.795 11.037 260 HB2 SER 36 1HB SER 36 17.491 -5.108 8.816 261 HB3 SER 36 2HB SER 36 19.063 -5.832 9.219 262 HG SER 36 HG SER 36 17.802 -7.266 8.000 263 H ARG 37 H ARG 37 16.690 -7.305 12.645 264 HA ARG 37 HA ARG 37 19.113 -8.941 12.921 265 HB2 ARG 37 1HB ARG 37 19.007 -8.652 15.386 266 HB3 ARG 37 2HB ARG 37 19.592 -7.235 14.526 267 HG2 ARG 37 1HG ARG 37 17.362 -6.168 14.806 268 HG3 ARG 37 2HG ARG 37 16.801 -7.601 15.697 269 HD2 ARG 37 1HD ARG 37 18.590 -7.232 17.377 270 HD3 ARG 37 2HD ARG 37 19.111 -5.783 16.491 271 HE ARG 37 HE ARG 37 16.349 -5.515 17.072 272 HH11 ARG 37 1HH1 ARG 37 19.420 -5.535 18.825 273 HH12 ARG 37 2HH1 ARG 37 18.798 -4.531 20.107 274 HH21 ARG 37 1HH2 ARG 37 15.633 -4.228 18.748 275 HH22 ARG 37 2HH2 ARG 37 16.699 -3.809 20.059 276 H ARG 38 H ARG 38 18.695 -10.914 13.957 277 HA ARG 38 HA ARG 38 17.488 -12.821 14.313 278 HB2 ARG 38 1HB ARG 38 15.284 -11.033 15.379 279 HB3 ARG 38 2HB ARG 38 15.521 -12.752 15.699 280 HG2 ARG 38 1HG ARG 38 17.810 -12.032 16.702 281 HG3 ARG 38 2HG ARG 38 17.105 -10.403 16.729 282 HD2 ARG 38 1HD ARG 38 16.005 -12.898 18.074 283 HD3 ARG 38 2HD ARG 38 16.739 -11.499 18.879 284 HE ARG 38 HE ARG 38 14.514 -10.652 17.290 285 HH11 ARG 38 1HH1 ARG 38 15.152 -12.397 20.295 286 HH12 ARG 38 2HH1 ARG 38 13.607 -11.968 20.979 287 HH21 ARG 38 1HH2 ARG 38 12.561 -10.146 18.230 288 HH22 ARG 38 2HH2 ARG 38 12.172 -10.718 19.829 289 H SER 39 H SER 39 17.340 -11.704 11.740 290 HA SER 39 HA SER 39 16.217 -11.874 9.753 291 HB2 SER 39 1HB SER 39 16.482 -14.258 10.444 292 HB3 SER 39 2HB SER 39 14.833 -14.215 11.102 293 HG SER 39 HG SER 39 14.043 -13.845 9.066 294 HA PRO 40 HA PRO 40 12.242 -10.009 11.156 295 HB2 PRO 40 1HB PRO 40 12.489 -7.531 10.072 296 HB3 PRO 40 2HB PRO 40 13.266 -7.946 11.637 297 HG2 PRO 40 1HG PRO 40 14.454 -7.952 8.876 298 HG3 PRO 40 2HG PRO 40 15.055 -7.150 10.358 299 HD2 PRO 40 1HD PRO 40 15.993 -9.553 9.541 300 HD3 PRO 40 2HD PRO 40 15.789 -9.164 11.283 301 H GLN 41 H GLN 41 10.447 -9.271 9.763 302 HA GLN 41 HA GLN 41 10.761 -10.283 6.972 303 HB2 GLN 41 1HB GLN 41 8.350 -10.134 8.810 304 HB3 GLN 41 2HB GLN 41 8.297 -10.664 7.123 305 HG2 GLN 41 1HG GLN 41 9.675 -12.587 7.603 306 HG3 GLN 41 2HG GLN 41 9.981 -12.025 9.252 307 HE21 GLN 41 1HE2 GLN 41 6.811 -14.323 8.532 308 HE22 GLN 41 2HE2 GLN 41 8.112 -14.071 7.397 309 H ARG 42 H ARG 42 9.019 -9.243 5.499 310 HA ARG 42 HA ARG 42 9.623 -6.411 5.396 311 HB2 ARG 42 1HB ARG 42 7.615 -8.026 3.778 312 HB3 ARG 42 2HB ARG 42 8.217 -6.410 3.379 313 HG2 ARG 42 1HG ARG 42 10.536 -7.385 3.222 314 HG3 ARG 42 2HG ARG 42 9.813 -8.991 3.443 315 HD2 ARG 42 1HD ARG 42 9.686 -9.006 1.202 316 HD3 ARG 42 2HD ARG 42 8.241 -8.007 1.465 317 HE ARG 42 HE ARG 42 10.443 -6.258 1.363 318 HH11 ARG 42 1HH1 ARG 42 8.851 -8.492 -0.867 319 HH12 ARG 42 2HH1 ARG 42 9.318 -7.568 -2.269 320 HH21 ARG 42 1HH2 ARG 42 11.006 -5.138 -0.481 321 HH22 ARG 42 2HH2 ARG 42 10.512 -5.709 -2.051 322 H GLY 43 H GLY 43 7.718 -4.851 4.892 323 HA2 GLY 43 1HA GLY 43 5.828 -5.110 7.187 324 HA3 GLY 43 2HA GLY 43 6.460 -3.589 6.552 325 H ILE 44 H ILE 44 5.645 -2.761 4.543 326 HA ILE 44 HA ILE 44 2.852 -3.034 4.298 327 HB ILE 44 HB ILE 44 4.136 -1.030 3.541 328 HG12 ILE 44 1HG1 ILE 44 3.070 -0.826 1.185 329 HG13 ILE 44 2HG1 ILE 44 2.368 -2.404 1.507 330 HG21 ILE 44 1HG2 ILE 44 5.407 -0.977 1.494 331 HG22 ILE 44 2HG2 ILE 44 6.051 -2.286 2.500 332 HG23 ILE 44 3HG2 ILE 44 5.005 -2.664 1.123 333 HD11 ILE 44 1HD1 ILE 44 1.906 0.169 3.013 334 HD12 ILE 44 2HD1 ILE 44 0.759 -0.744 2.016 335 HD13 ILE 44 3HD1 ILE 44 1.310 -1.423 3.562 336 H VAL 45 H VAL 45 5.440 -4.728 2.513 337 HA VAL 45 HA VAL 45 3.650 -5.949 0.623 338 HB VAL 45 HB VAL 45 6.348 -6.987 1.611 339 HG11 VAL 45 1HG1 VAL 45 6.437 -8.094 -0.625 340 HG12 VAL 45 2HG1 VAL 45 5.075 -8.683 0.346 341 HG13 VAL 45 3HG1 VAL 45 4.791 -7.515 -0.961 342 HG21 VAL 45 1HG2 VAL 45 6.614 -4.705 0.796 343 HG22 VAL 45 2HG2 VAL 45 7.263 -5.829 -0.410 344 HG23 VAL 45 3HG2 VAL 45 5.674 -5.086 -0.664 345 H GLU 46 H GLU 46 4.726 -6.820 3.910 346 HA GLU 46 HA GLU 46 3.728 -9.517 3.775 347 HB2 GLU 46 1HB GLU 46 4.792 -7.666 5.824 348 HB3 GLU 46 2HB GLU 46 3.583 -8.824 6.425 349 HG2 GLU 46 1HG GLU 46 5.067 -10.542 5.046 350 HG3 GLU 46 2HG GLU 46 6.313 -9.315 5.323 351 H GLU 47 H GLU 47 2.327 -6.390 4.793 352 HA GLU 47 HA GLU 47 -0.122 -7.750 5.617 353 HB2 GLU 47 1HB GLU 47 0.601 -4.812 5.457 354 HB3 GLU 47 2HB GLU 47 -0.896 -5.467 6.149 355 HG2 GLU 47 1HG GLU 47 0.501 -6.818 7.751 356 HG3 GLU 47 2HG GLU 47 1.941 -5.995 7.138 357 H CYS 48 H CYS 48 0.968 -6.088 2.684 358 HA CYS 48 HA CYS 48 -1.833 -6.119 1.687 359 HB2 CYS 48 1HB CYS 48 0.664 -4.789 0.617 360 HB3 CYS 48 2HB CYS 48 -0.920 -4.734 -0.160 361 H CYS 49 H CYS 49 0.986 -8.062 1.307 362 HA CYS 49 HA CYS 49 -0.146 -9.121 -1.257 363 HB2 CYS 49 1HB CYS 49 2.151 -8.093 -1.377 364 HB3 CYS 49 2HB CYS 49 2.714 -9.379 -0.318 365 H PHE 50 H PHE 50 1.563 -10.068 1.759 366 HA PHE 50 HA PHE 50 0.870 -12.898 1.299 367 HB2 PHE 50 1HB PHE 50 2.232 -11.458 3.600 368 HB3 PHE 50 2HB PHE 50 1.925 -13.191 3.562 369 HD1 PHE 50 1HD PHE 50 3.843 -10.437 1.938 370 HD2 PHE 50 2HD PHE 50 3.273 -14.688 2.249 371 HE1 PHE 50 1HE PHE 50 5.960 -10.803 0.681 372 HE2 PHE 50 2HE PHE 50 5.391 -15.065 0.991 373 HZ PHE 50 HZ PHE 50 6.740 -13.122 0.205 374 H ARG 51 H ARG 51 -0.547 -10.122 2.525 375 HA ARG 51 HA ARG 51 -2.903 -11.667 3.481 376 HB2 ARG 51 1HB ARG 51 -1.496 -9.376 4.909 377 HB3 ARG 51 2HB ARG 51 -3.226 -9.659 5.101 378 HG2 ARG 51 1HG ARG 51 -2.711 -11.955 5.915 379 HG3 ARG 51 2HG ARG 51 -0.983 -11.518 5.904 380 HD2 ARG 51 1HD ARG 51 -1.382 -9.697 7.455 381 HD3 ARG 51 2HD ARG 51 -3.136 -9.923 7.331 382 HE ARG 51 HE ARG 51 -1.909 -12.337 8.244 383 HH11 ARG 51 1HH1 ARG 51 -2.767 -9.112 9.398 384 HH12 ARG 51 2HH1 ARG 51 -2.934 -9.643 11.050 385 HH21 ARG 51 1HH2 ARG 51 -2.148 -12.947 10.375 386 HH22 ARG 51 2HH2 ARG 51 -2.591 -11.778 11.589 387 H SER 52 H SER 52 -4.796 -9.984 3.377 388 HA SER 52 HA SER 52 -4.387 -8.179 1.041 389 HB2 SER 52 1HB SER 52 -6.888 -7.941 1.232 390 HB3 SER 52 2HB SER 52 -6.364 -9.616 0.944 391 HG SER 52 HG SER 52 -6.932 -8.513 3.507 392 H CYS 53 H CYS 53 -4.834 -5.896 1.316 393 HA CYS 53 HA CYS 53 -5.229 -4.979 4.115 394 HB2 CYS 53 1HB CYS 53 -3.454 -3.429 4.009 395 HB3 CYS 53 2HB CYS 53 -2.765 -4.955 3.465 396 H ASP 54 H ASP 54 -5.734 -2.650 4.199 397 HA ASP 54 HA ASP 54 -7.320 -1.785 1.812 398 HB2 ASP 54 1HB ASP 54 -8.485 -0.365 3.569 399 HB3 ASP 54 2HB ASP 54 -8.750 -2.120 3.724 400 H LEU 55 H LEU 55 -7.440 0.634 1.674 401 HA LEU 55 HA LEU 55 -4.841 1.769 1.422 402 HB2 LEU 55 1HB LEU 55 -6.028 3.873 1.024 403 HB3 LEU 55 2HB LEU 55 -6.637 2.544 0.056 404 HG LEU 55 HG LEU 55 -8.319 2.585 2.310 405 HD11 LEU 55 1HD1 LEU 55 -7.385 4.795 2.926 406 HD12 LEU 55 2HD1 LEU 55 -9.092 4.909 2.449 407 HD13 LEU 55 3HD1 LEU 55 -7.816 5.420 1.318 408 HD21 LEU 55 1HD2 LEU 55 -8.973 2.123 -0.021 409 HD22 LEU 55 2HD2 LEU 55 -8.725 3.838 -0.434 410 HD23 LEU 55 3HD2 LEU 55 -10.009 3.371 0.704 411 H ALA 56 H ALA 56 -7.034 1.733 4.211 412 HA ALA 56 HA ALA 56 -5.832 4.056 5.415 413 HB1 ALA 56 1HB ALA 56 -7.366 1.852 6.825 414 HB2 ALA 56 2HB ALA 56 -7.135 3.527 7.363 415 HB3 ALA 56 3HB ALA 56 -8.148 3.185 5.941 416 H LEU 57 H LEU 57 -5.508 0.527 5.853 417 HA LEU 57 HA LEU 57 -3.480 0.590 7.861 418 HB2 LEU 57 1HB LEU 57 -4.798 -1.397 7.177 419 HB3 LEU 57 2HB LEU 57 -3.980 -1.420 5.620 420 HG LEU 57 HG LEU 57 -2.346 -1.534 8.115 421 HD11 LEU 57 1HD1 LEU 57 -4.164 -3.135 8.502 422 HD12 LEU 57 2HD1 LEU 57 -2.623 -3.979 8.243 423 HD13 LEU 57 3HD1 LEU 57 -3.830 -3.906 6.935 424 HD21 LEU 57 1HD2 LEU 57 -0.892 -3.024 6.813 425 HD22 LEU 57 2HD2 LEU 57 -1.126 -1.484 5.985 426 HD23 LEU 57 3HD2 LEU 57 -2.007 -2.922 5.438 427 H LEU 58 H LEU 58 -3.344 0.462 4.320 428 HA LEU 58 HA LEU 58 -0.575 0.412 3.950 429 HB2 LEU 58 1HB LEU 58 -2.266 0.044 2.254 430 HB3 LEU 58 2HB LEU 58 -2.858 1.682 2.428 431 HG LEU 58 HG LEU 58 -0.110 1.088 1.412 432 HD11 LEU 58 1HD1 LEU 58 -1.795 -0.080 0.137 433 HD12 LEU 58 2HD1 LEU 58 -1.103 1.270 -0.786 434 HD13 LEU 58 3HD1 LEU 58 -2.705 1.449 -0.020 435 HD21 LEU 58 1HD2 LEU 58 -0.660 3.298 0.130 436 HD22 LEU 58 2HD2 LEU 58 -0.196 3.421 1.824 437 HD23 LEU 58 3HD2 LEU 58 -1.905 3.522 1.366 438 H GLU 59 H GLU 59 -2.788 3.176 4.321 439 HA GLU 59 HA GLU 59 -1.002 5.201 3.675 440 HB2 GLU 59 1HB GLU 59 -3.448 5.456 4.071 441 HB3 GLU 59 2HB GLU 59 -3.179 5.300 5.806 442 HG2 GLU 59 1HG GLU 59 -1.905 7.366 5.834 443 HG3 GLU 59 2HG GLU 59 -2.015 7.481 4.077 444 H THR 60 H THR 60 -1.172 3.345 6.672 445 HA THR 60 HA THR 60 0.312 5.156 8.310 446 HB THR 60 HB THR 60 0.600 3.354 9.860 447 HG1 THR 60 1HG THR 60 -0.247 1.548 7.815 448 HG21 THR 60 1HG2 THR 60 -1.766 4.200 9.412 449 HG22 THR 60 2HG2 THR 60 -1.655 2.581 10.142 450 HG23 THR 60 3HG2 THR 60 -2.007 2.751 8.413 451 H TYR 61 H TYR 61 1.380 3.239 5.652 452 HA TYR 61 HA TYR 61 4.168 3.076 6.699 453 HB2 TYR 61 1HB TYR 61 2.753 2.026 4.248 454 HB3 TYR 61 2HB TYR 61 4.512 2.095 4.329 455 HD1 TYR 61 1HD TYR 61 1.513 0.379 5.597 456 HD2 TYR 61 2HD TYR 61 5.782 0.777 5.982 457 HE1 TYR 61 1HE TYR 61 1.611 -1.774 6.843 458 HE2 TYR 61 2HE TYR 61 5.858 -1.362 7.252 459 HH TYR 61 HH TYR 61 2.932 -3.268 7.969 460 H CYS 62 H CYS 62 2.290 5.430 5.241 461 HA CYS 62 HA CYS 62 4.225 6.352 3.285 462 HB2 CYS 62 1HB CYS 62 1.891 7.761 4.606 463 HB3 CYS 62 2HB CYS 62 2.786 8.339 3.186 464 H ALA 63 H ALA 63 5.633 8.141 3.440 465 HA ALA 63 HA ALA 63 6.956 8.191 6.000 466 HB1 ALA 63 1HB ALA 63 7.418 9.838 3.487 467 HB2 ALA 63 2HB ALA 63 8.512 9.762 4.888 468 HB3 ALA 63 3HB ALA 63 8.217 8.298 3.923 469 H THR 64 H THR 64 4.568 10.246 4.513 470 HA THR 64 HA THR 64 4.593 11.881 6.975 471 HB THR 64 HB THR 64 3.902 13.883 5.476 472 HG1 THR 64 1HG THR 64 5.300 12.232 3.609 473 HG21 THR 64 1HG2 THR 64 6.221 14.590 5.154 474 HG22 THR 64 2HG2 THR 64 6.785 12.915 5.361 475 HG23 THR 64 3HG2 THR 64 6.031 13.773 6.724 476 HA PRO 65 HA PRO 65 0.352 10.905 6.548 477 HB2 PRO 65 1HB PRO 65 -0.894 12.722 8.105 478 HB3 PRO 65 2HB PRO 65 0.299 11.581 8.803 479 HG2 PRO 65 1HG PRO 65 0.693 14.412 7.887 480 HG3 PRO 65 2HG PRO 65 1.105 13.669 9.449 481 HD2 PRO 65 1HD PRO 65 2.923 13.967 7.459 482 HD3 PRO 65 2HD PRO 65 2.973 12.572 8.590 483 H ALA 66 H ALA 66 -1.852 11.851 6.117 484 HA ALA 66 HA ALA 66 -1.783 13.518 3.718 485 HB1 ALA 66 1HB ALA 66 -3.399 11.658 3.914 486 HB2 ALA 66 2HB ALA 66 -4.096 12.397 5.376 487 HB3 ALA 66 3HB ALA 66 -4.262 13.207 3.800 488 H LYS 67 H LYS 67 -2.739 15.619 3.564 489 HA LYS 67 HA LYS 67 -3.376 16.944 6.159 490 HB2 LYS 67 1HB LYS 67 -1.008 17.413 5.372 491 HB3 LYS 67 2HB LYS 67 -1.716 18.288 4.012 492 HG2 LYS 67 1HG LYS 67 -2.996 19.224 6.393 493 HG3 LYS 67 2HG LYS 67 -1.266 19.167 6.745 494 HD2 LYS 67 1HD LYS 67 -2.325 20.503 4.225 495 HD3 LYS 67 2HD LYS 67 -2.295 21.347 5.779 496 HE2 LYS 67 1HE LYS 67 -0.299 21.997 4.719 497 HE3 LYS 67 2HE LYS 67 0.191 20.789 5.920 498 HZ1 LYS 67 1HZ LYS 67 1.270 20.448 3.787 499 HZ2 LYS 67 2HZ LYS 67 -0.185 20.276 3.026 500 HZ3 LYS 67 3HZ LYS 67 0.300 19.160 4.140 501 H SER 68 H SER 68 -5.457 16.197 5.114 502 HA SER 68 HA SER 68 -6.443 17.843 2.881 503 HB2 SER 68 1HB SER 68 -8.580 16.488 3.541 504 HB3 SER 68 2HB SER 68 -7.198 15.615 2.848 505 HG SER 68 HG SER 68 -8.244 14.856 4.945 506 H GLU 69 H GLU 69 -5.637 19.415 5.088 507 HA GLU 69 HA GLU 69 -8.124 20.801 5.718 508 HB2 GLU 69 1HB GLU 69 -7.792 20.820 8.192 509 HB3 GLU 69 2HB GLU 69 -8.196 19.237 7.554 510 HG2 GLU 69 1HG GLU 69 -6.487 18.744 9.096 511 HG3 GLU 69 2HG GLU 69 -5.628 18.723 7.567 Start of MODEL 4 1 HA ALA 1 HA ALA 1 -16.393 -4.375 -3.875 2 HB1 ALA 1 1HB ALA 1 -17.532 -4.028 -6.082 3 HB2 ALA 1 2HB ALA 1 -15.964 -3.656 -6.825 4 HB3 ALA 1 3HB ALA 1 -16.280 -5.279 -6.188 5 H TYR 2 H TYR 2 -14.853 -5.961 -3.954 6 HA TYR 2 HA TYR 2 -12.159 -5.014 -3.467 7 HB2 TYR 2 1HB TYR 2 -11.736 -7.559 -3.345 8 HB3 TYR 2 2HB TYR 2 -12.797 -6.827 -2.138 9 HD1 TYR 2 1HD TYR 2 -12.819 -8.787 -5.333 10 HD2 TYR 2 2HD TYR 2 -15.049 -7.551 -1.866 11 HE1 TYR 2 1HE TYR 2 -14.659 -10.375 -5.938 12 HE2 TYR 2 2HE TYR 2 -16.876 -9.137 -2.476 13 HH TYR 2 HH TYR 2 -17.598 -10.726 -3.936 14 H ARG 3 H ARG 3 -10.261 -5.652 -4.552 15 HA ARG 3 HA ARG 3 -10.592 -5.665 -7.482 16 HB2 ARG 3 1HB ARG 3 -8.847 -4.306 -7.182 17 HB3 ARG 3 2HB ARG 3 -8.585 -4.859 -5.533 18 HG2 ARG 3 1HG ARG 3 -7.108 -6.568 -6.220 19 HG3 ARG 3 2HG ARG 3 -7.574 -6.413 -7.922 20 HD2 ARG 3 1HD ARG 3 -6.529 -4.281 -8.121 21 HD3 ARG 3 2HD ARG 3 -6.267 -4.170 -6.366 22 HE ARG 3 HE ARG 3 -4.949 -6.477 -6.992 23 HH11 ARG 3 1HH1 ARG 3 -4.633 -3.218 -8.342 24 HH12 ARG 3 2HH1 ARG 3 -2.957 -3.474 -8.748 25 HH21 ARG 3 1HH2 ARG 3 -2.862 -6.715 -7.515 26 HH22 ARG 3 2HH2 ARG 3 -1.964 -5.448 -8.307 27 HA PRO 4 HA PRO 4 -10.466 -10.045 -7.937 28 HB2 PRO 4 1HB PRO 4 -8.397 -9.586 -10.088 29 HB3 PRO 4 2HB PRO 4 -9.904 -10.547 -10.151 30 HG2 PRO 4 1HG PRO 4 -9.802 -8.188 -11.307 31 HG3 PRO 4 2HG PRO 4 -11.238 -8.666 -10.349 32 HD2 PRO 4 1HD PRO 4 -8.982 -6.821 -9.586 33 HD3 PRO 4 2HD PRO 4 -10.747 -6.668 -9.301 34 H SER 5 H SER 5 -7.319 -8.433 -7.712 35 HA SER 5 HA SER 5 -6.266 -10.787 -6.233 36 HB2 SER 5 1HB SER 5 -5.399 -10.987 -8.536 37 HB3 SER 5 2HB SER 5 -4.805 -9.316 -8.470 38 HG SER 5 HG SER 5 -3.324 -9.900 -6.936 39 H GLU 6 H GLU 6 -6.778 -9.406 -4.397 40 HA GLU 6 HA GLU 6 -5.679 -6.730 -4.231 41 HB2 GLU 6 1HB GLU 6 -6.746 -8.495 -2.012 42 HB3 GLU 6 2HB GLU 6 -6.554 -6.733 -1.990 43 HG2 GLU 6 1HG GLU 6 -8.044 -6.836 -4.110 44 HG3 GLU 6 2HG GLU 6 -8.489 -8.436 -3.500 45 H THR 7 H THR 7 -4.136 -9.593 -4.136 46 HA THR 7 HA THR 7 -2.140 -8.909 -2.100 47 HB THR 7 HB THR 7 -0.841 -10.782 -3.223 48 HG1 THR 7 1HG THR 7 -1.881 -10.538 -5.279 49 HG21 THR 7 1HG2 THR 7 -2.355 -11.241 -1.305 50 HG22 THR 7 2HG2 THR 7 -2.299 -12.591 -2.457 51 HG23 THR 7 3HG2 THR 7 -3.698 -11.497 -2.443 52 H LEU 8 H LEU 8 -0.408 -7.689 -2.453 53 HA LEU 8 HA LEU 8 0.339 -6.912 -5.247 54 HB2 LEU 8 1HB LEU 8 0.050 -5.224 -2.759 55 HB3 LEU 8 2HB LEU 8 1.097 -4.765 -4.091 56 HG LEU 8 HG LEU 8 -1.839 -5.242 -4.510 57 HD11 LEU 8 1HD1 LEU 8 -2.155 -2.815 -4.224 58 HD12 LEU 8 2HD1 LEU 8 -0.471 -2.675 -3.673 59 HD13 LEU 8 3HD1 LEU 8 -1.649 -3.608 -2.718 60 HD21 LEU 8 1HD2 LEU 8 -1.448 -3.708 -6.403 61 HD22 LEU 8 2HD2 LEU 8 -0.418 -5.153 -6.494 62 HD23 LEU 8 3HD2 LEU 8 0.264 -3.604 -5.952 63 H CYS 9 H CYS 9 2.307 -7.598 -5.618 64 HA CYS 9 HA CYS 9 4.171 -7.864 -3.285 65 HB2 CYS 9 1HB CYS 9 3.944 -9.365 -5.888 66 HB3 CYS 9 2HB CYS 9 5.261 -9.598 -4.722 67 H GLY 10 H GLY 10 6.543 -8.222 -4.770 68 HA2 GLY 10 1HA GLY 10 7.461 -5.613 -4.840 69 HA3 GLY 10 2HA GLY 10 8.248 -6.955 -5.677 70 H GLY 11 H GLY 11 7.726 -3.987 -6.248 71 HA2 GLY 11 1HA GLY 11 7.708 -2.898 -8.319 72 HA3 GLY 11 2HA GLY 11 7.076 -4.358 -9.088 73 H GLU 12 H GLU 12 4.728 -4.944 -8.361 74 HA GLU 12 HA GLU 12 3.091 -2.706 -9.103 75 HB2 GLU 12 1HB GLU 12 1.192 -4.209 -8.567 76 HB3 GLU 12 2HB GLU 12 2.392 -4.952 -9.631 77 HG2 GLU 12 1HG GLU 12 3.337 -6.206 -7.760 78 HG3 GLU 12 2HG GLU 12 2.210 -5.427 -6.644 79 H LEU 13 H LEU 13 3.931 -4.081 -5.923 80 HA LEU 13 HA LEU 13 1.986 -2.588 -4.433 81 HB2 LEU 13 1HB LEU 13 3.252 -4.489 -3.525 82 HB3 LEU 13 2HB LEU 13 4.759 -3.599 -3.680 83 HG LEU 13 HG LEU 13 4.163 -2.102 -1.912 84 HD11 LEU 13 1HD1 LEU 13 1.785 -1.785 -2.263 85 HD12 LEU 13 2HD1 LEU 13 2.056 -2.374 -0.624 86 HD13 LEU 13 3HD1 LEU 13 1.464 -3.490 -1.866 87 HD21 LEU 13 1HD2 LEU 13 3.534 -5.002 -1.264 88 HD22 LEU 13 2HD2 LEU 13 3.912 -3.750 -0.063 89 HD23 LEU 13 3HD2 LEU 13 5.135 -4.218 -1.260 90 H VAL 14 H VAL 14 5.283 -1.871 -5.590 91 HA VAL 14 HA VAL 14 5.596 0.584 -4.133 92 HB VAL 14 HB VAL 14 6.893 -0.335 -6.753 93 HG11 VAL 14 1HG1 VAL 14 7.647 1.920 -4.845 94 HG12 VAL 14 2HG1 VAL 14 8.666 1.333 -6.183 95 HG13 VAL 14 3HG1 VAL 14 7.097 2.088 -6.531 96 HG21 VAL 14 1HG2 VAL 14 7.355 -1.866 -4.861 97 HG22 VAL 14 2HG2 VAL 14 8.812 -0.970 -5.328 98 HG23 VAL 14 3HG2 VAL 14 7.904 -0.490 -3.877 99 H ASP 15 H ASP 15 4.345 -0.273 -7.376 100 HA ASP 15 HA ASP 15 3.938 2.418 -8.227 101 HB2 ASP 15 1HB ASP 15 3.888 0.267 -9.612 102 HB3 ASP 15 2HB ASP 15 2.233 0.045 -9.018 103 H THR 16 H THR 16 1.897 0.122 -6.423 104 HA THR 16 HA THR 16 -0.414 1.804 -6.305 105 HB THR 16 HB THR 16 0.484 -0.193 -4.167 106 HG1 THR 16 1HG THR 16 0.448 -1.128 -6.289 107 HG21 THR 16 1HG2 THR 16 -1.452 1.300 -3.632 108 HG22 THR 16 2HG2 THR 16 -1.883 -0.417 -3.743 109 HG23 THR 16 3HG2 THR 16 -2.279 0.684 -5.083 110 H LEU 17 H LEU 17 2.426 1.482 -4.124 111 HA LEU 17 HA LEU 17 1.483 3.295 -2.134 112 HB2 LEU 17 1HB LEU 17 4.196 2.345 -3.008 113 HB3 LEU 17 2HB LEU 17 4.046 3.619 -1.804 114 HG LEU 17 HG LEU 17 2.426 1.167 -1.315 115 HD11 LEU 17 1HD1 LEU 17 4.500 0.216 -2.111 116 HD12 LEU 17 2HD1 LEU 17 4.314 -0.024 -0.369 117 HD13 LEU 17 3HD1 LEU 17 5.426 1.227 -0.975 118 HD21 LEU 17 1HD2 LEU 17 2.941 1.647 0.979 119 HD22 LEU 17 2HD2 LEU 17 2.585 3.209 0.212 120 HD23 LEU 17 3HD2 LEU 17 4.266 2.740 0.530 121 H GLN 18 H GLN 18 3.227 3.806 -5.194 122 HA GLN 18 HA GLN 18 3.644 6.636 -4.800 123 HB2 GLN 18 1HB GLN 18 3.506 4.911 -7.288 124 HB3 GLN 18 2HB GLN 18 3.900 6.631 -7.321 125 HG2 GLN 18 1HG GLN 18 5.872 6.258 -5.935 126 HG3 GLN 18 2HG GLN 18 5.483 4.547 -5.785 127 HE21 GLN 18 1HE2 GLN 18 6.144 4.191 -9.474 128 HE22 GLN 18 2HE2 GLN 18 4.684 4.106 -8.524 129 H PHE 19 H PHE 19 1.012 4.709 -6.305 130 HA PHE 19 HA PHE 19 -0.452 6.992 -7.250 131 HB2 PHE 19 1HB PHE 19 -0.824 4.692 -8.047 132 HB3 PHE 19 2HB PHE 19 -1.406 4.218 -6.448 133 HD1 PHE 19 1HD PHE 19 -3.654 4.639 -5.754 134 HD2 PHE 19 2HD PHE 19 -2.160 6.357 -9.405 135 HE1 PHE 19 1HE PHE 19 -5.970 5.315 -6.373 136 HE2 PHE 19 2HE PHE 19 -4.473 7.043 -10.034 137 HZ PHE 19 HZ PHE 19 -6.385 6.522 -8.518 138 H VAL 20 H VAL 20 -0.661 5.121 -4.177 139 HA VAL 20 HA VAL 20 -2.959 6.614 -3.280 140 HB VAL 20 HB VAL 20 -1.033 4.792 -1.760 141 HG11 VAL 20 1HG1 VAL 20 -2.899 4.665 -0.050 142 HG12 VAL 20 2HG1 VAL 20 -2.075 6.232 -0.108 143 HG13 VAL 20 3HG1 VAL 20 -3.672 6.040 -0.873 144 HG21 VAL 20 1HG2 VAL 20 -3.816 4.326 -2.876 145 HG22 VAL 20 2HG2 VAL 20 -2.301 3.676 -3.534 146 HG23 VAL 20 3HG2 VAL 20 -2.855 3.162 -1.935 147 H CYS 21 H CYS 21 0.569 6.889 -2.545 148 HA CYS 21 HA CYS 21 -0.025 9.623 -1.544 149 HB2 CYS 21 1HB CYS 21 1.101 9.217 0.591 150 HB3 CYS 21 2HB CYS 21 -0.313 8.171 0.391 151 H GLY 22 H GLY 22 1.602 8.578 -3.851 152 HA2 GLY 22 1HA GLY 22 4.364 8.731 -3.228 153 HA3 GLY 22 2HA GLY 22 3.635 9.068 -4.806 154 H ASP 23 H ASP 23 1.967 11.278 -3.680 155 HA ASP 23 HA ASP 23 3.638 13.489 -4.181 156 HB2 ASP 23 1HB ASP 23 1.241 13.433 -2.304 157 HB3 ASP 23 2HB ASP 23 1.850 14.827 -3.207 158 H ARG 24 H ARG 24 2.889 11.799 -1.166 159 HA ARG 24 HA ARG 24 4.420 13.795 0.419 160 HB2 ARG 24 1HB ARG 24 2.778 11.438 1.370 161 HB3 ARG 24 2HB ARG 24 3.405 12.761 2.353 162 HG2 ARG 24 1HG ARG 24 1.256 13.013 0.178 163 HG3 ARG 24 2HG ARG 24 0.964 12.969 1.912 164 HD2 ARG 24 1HD ARG 24 0.814 15.249 1.333 165 HD3 ARG 24 2HD ARG 24 2.401 15.084 2.100 166 HE ARG 24 HE ARG 24 3.126 14.814 -0.453 167 HH11 ARG 24 1HH1 ARG 24 0.851 17.182 0.860 168 HH12 ARG 24 2HH1 ARG 24 1.221 18.345 -0.386 169 HH21 ARG 24 1HH2 ARG 24 3.548 16.311 -1.966 170 HH22 ARG 24 2HH2 ARG 24 2.728 17.856 -1.968 171 H GLY 25 H GLY 25 4.719 10.633 -0.912 172 HA2 GLY 25 1HA GLY 25 6.720 9.372 -0.936 173 HA3 GLY 25 2HA GLY 25 7.336 10.306 0.444 174 H PHE 26 H PHE 26 7.529 7.543 0.503 175 HA PHE 26 HA PHE 26 5.740 6.873 2.735 176 HB2 PHE 26 1HB PHE 26 5.066 4.723 1.631 177 HB3 PHE 26 2HB PHE 26 4.374 6.167 0.892 178 HD1 PHE 26 1HD PHE 26 6.915 3.488 0.440 179 HD2 PHE 26 2HD PHE 26 4.859 6.811 -1.367 180 HE1 PHE 26 1HE PHE 26 7.773 2.803 -1.793 181 HE2 PHE 26 2HE PHE 26 5.726 6.145 -3.590 182 HZ PHE 26 HZ PHE 26 7.172 4.134 -3.811 183 H TYR 27 H TYR 27 6.257 4.741 3.677 184 HA TYR 27 HA TYR 27 9.147 4.043 3.273 185 HB2 TYR 27 1HB TYR 27 7.447 4.011 5.800 186 HB3 TYR 27 2HB TYR 27 9.081 3.346 5.674 187 HD1 TYR 27 1HD TYR 27 11.043 4.877 5.319 188 HD2 TYR 27 2HD TYR 27 7.085 6.391 6.086 189 HE1 TYR 27 1HE TYR 27 12.004 7.103 5.909 190 HE2 TYR 27 2HE TYR 27 8.065 8.610 6.694 191 HH TYR 27 HH TYR 27 11.575 9.243 6.569 192 H PHE 28 H PHE 28 9.541 1.695 3.723 193 HA PHE 28 HA PHE 28 7.216 0.133 2.763 194 HB2 PHE 28 1HB PHE 28 9.970 0.089 2.192 195 HB3 PHE 28 2HB PHE 28 9.664 -1.397 3.098 196 HD1 PHE 28 1HD PHE 28 8.035 0.616 0.328 197 HD2 PHE 28 2HD PHE 28 9.061 -3.285 1.840 198 HE1 PHE 28 1HE PHE 28 7.113 -0.419 -1.730 199 HE2 PHE 28 2HE PHE 28 8.140 -4.327 -0.228 200 HZ PHE 28 HZ PHE 28 7.156 -2.893 -2.014 201 H SER 29 H SER 29 8.193 1.131 5.658 202 HA SER 29 HA SER 29 6.949 -1.155 7.049 203 HB2 SER 29 1HB SER 29 9.690 -0.007 7.750 204 HB3 SER 29 2HB SER 29 8.717 -1.011 8.843 205 HG SER 29 HG SER 29 9.086 -2.745 7.649 206 H ARG 30 H ARG 30 6.091 -0.296 9.158 207 HA ARG 30 HA ARG 30 5.218 2.380 8.913 208 HB2 ARG 30 1HB ARG 30 5.272 0.725 11.428 209 HB3 ARG 30 2HB ARG 30 4.370 2.219 11.209 210 HG2 ARG 30 1HG ARG 30 3.934 -0.315 9.617 211 HG3 ARG 30 2HG ARG 30 3.029 0.149 11.061 212 HD2 ARG 30 1HD ARG 30 2.828 2.432 9.517 213 HD3 ARG 30 2HD ARG 30 2.787 1.148 8.301 214 HE ARG 30 HE ARG 30 0.791 0.309 9.215 215 HH11 ARG 30 1HH1 ARG 30 1.877 3.152 11.007 216 HH12 ARG 30 2HH1 ARG 30 0.364 3.313 11.852 217 HH21 ARG 30 1HH2 ARG 30 -1.105 0.577 10.329 218 HH22 ARG 30 2HH2 ARG 30 -1.298 1.881 11.469 219 HA PRO 31 HA PRO 31 8.476 3.896 11.876 220 HB2 PRO 31 1HB PRO 31 10.590 2.342 12.594 221 HB3 PRO 31 2HB PRO 31 9.027 2.252 13.467 222 HG2 PRO 31 1HG PRO 31 10.065 0.466 11.261 223 HG3 PRO 31 2HG PRO 31 9.353 0.003 12.838 224 HD2 PRO 31 1HD PRO 31 7.913 0.069 10.538 225 HD3 PRO 31 2HD PRO 31 7.201 0.468 12.127 226 H ALA 32 H ALA 32 10.403 5.006 11.233 227 HA ALA 32 HA ALA 32 11.176 4.683 8.460 228 HB1 ALA 32 1HB ALA 32 12.632 6.584 8.924 229 HB2 ALA 32 2HB ALA 32 11.017 6.867 9.618 230 HB3 ALA 32 3HB ALA 32 12.374 6.378 10.672 231 H SER 33 H SER 33 11.951 2.761 10.922 232 HA SER 33 HA SER 33 14.755 2.695 11.134 233 HB2 SER 33 1HB SER 33 12.718 0.455 11.271 234 HB3 SER 33 2HB SER 33 14.376 0.380 11.909 235 HG SER 33 HG SER 33 12.822 0.926 13.518 236 H ARG 34 H ARG 34 16.354 1.884 9.919 237 HA ARG 34 HA ARG 34 15.608 0.373 7.446 238 HB2 ARG 34 1HB ARG 34 16.257 2.868 7.237 239 HB3 ARG 34 2HB ARG 34 17.900 2.349 7.614 240 HG2 ARG 34 1HG ARG 34 17.875 0.862 5.637 241 HG3 ARG 34 2HG ARG 34 16.201 1.350 5.296 242 HD2 ARG 34 1HD ARG 34 16.985 3.723 5.123 243 HD3 ARG 34 2HD ARG 34 18.652 3.151 5.304 244 HE ARG 34 HE ARG 34 16.915 2.908 2.952 245 HH11 ARG 34 1HH1 ARG 34 19.893 1.750 4.463 246 HH12 ARG 34 2HH1 ARG 34 20.565 1.224 2.944 247 HH21 ARG 34 1HH2 ARG 34 17.833 2.201 1.061 248 HH22 ARG 34 2HH2 ARG 34 19.410 1.460 1.058 249 H VAL 35 H VAL 35 16.079 -1.111 9.557 250 HA VAL 35 HA VAL 35 18.891 -2.055 9.276 251 HB VAL 35 HB VAL 35 18.731 -2.825 11.674 252 HG11 VAL 35 1HG1 VAL 35 18.439 0.173 11.340 253 HG12 VAL 35 2HG1 VAL 35 19.203 -0.686 12.700 254 HG13 VAL 35 3HG1 VAL 35 19.928 -0.769 11.083 255 HG21 VAL 35 1HG2 VAL 35 17.029 -1.918 13.168 256 HG22 VAL 35 2HG2 VAL 35 16.267 -1.032 11.830 257 HG23 VAL 35 3HG2 VAL 35 16.236 -2.811 11.857 258 H SER 36 H SER 36 18.821 -4.319 10.461 259 HA SER 36 HA SER 36 16.434 -5.915 9.840 260 HB2 SER 36 1HB SER 36 17.911 -5.909 7.732 261 HB3 SER 36 2HB SER 36 19.169 -6.679 8.720 262 HG SER 36 HG SER 36 16.705 -7.677 7.825 263 H ARG 37 H ARG 37 17.547 -8.332 10.503 264 HA ARG 37 HA ARG 37 17.957 -9.584 12.277 265 HB2 ARG 37 1HB ARG 37 20.126 -9.631 13.039 266 HB3 ARG 37 2HB ARG 37 20.188 -9.139 11.377 267 HG2 ARG 37 1HG ARG 37 20.689 -6.819 12.036 268 HG3 ARG 37 2HG ARG 37 20.603 -7.262 13.751 269 HD2 ARG 37 1HD ARG 37 22.512 -8.753 13.489 270 HD3 ARG 37 2HD ARG 37 22.486 -8.533 11.727 271 HE ARG 37 HE ARG 37 22.777 -5.993 12.998 272 HH11 ARG 37 1HH1 ARG 37 24.667 -8.895 12.287 273 HH12 ARG 37 2HH1 ARG 37 26.174 -8.021 12.269 274 HH21 ARG 37 1HH2 ARG 37 24.748 -4.948 12.955 275 HH22 ARG 37 2HH2 ARG 37 26.215 -5.831 12.641 276 H ARG 38 H ARG 38 18.920 -9.479 14.760 277 HA ARG 38 HA ARG 38 18.035 -9.231 16.890 278 HB2 ARG 38 1HB ARG 38 17.877 -6.369 15.907 279 HB3 ARG 38 2HB ARG 38 17.254 -6.821 17.491 280 HG2 ARG 38 1HG ARG 38 20.058 -7.590 16.757 281 HG3 ARG 38 2HG ARG 38 19.682 -5.924 17.256 282 HD2 ARG 38 1HD ARG 38 18.566 -6.839 19.308 283 HD3 ARG 38 2HD ARG 38 19.129 -8.458 18.850 284 HE ARG 38 HE ARG 38 21.369 -6.718 18.899 285 HH11 ARG 38 1HH1 ARG 38 19.085 -8.101 21.214 286 HH12 ARG 38 2HH1 ARG 38 20.234 -8.039 22.523 287 HH21 ARG 38 1HH2 ARG 38 22.776 -6.662 20.630 288 HH22 ARG 38 2HH2 ARG 38 22.279 -7.240 22.196 289 H SER 39 H SER 39 16.516 -10.543 15.364 290 HA SER 39 HA SER 39 14.447 -11.462 15.165 291 HB2 SER 39 1HB SER 39 12.675 -10.923 16.534 292 HB3 SER 39 2HB SER 39 14.063 -10.356 17.478 293 HG SER 39 HG SER 39 13.641 -8.251 16.507 294 HA PRO 40 HA PRO 40 13.138 -9.606 11.499 295 HB2 PRO 40 1HB PRO 40 10.645 -10.657 11.059 296 HB3 PRO 40 2HB PRO 40 12.139 -11.647 10.959 297 HG2 PRO 40 1HG PRO 40 10.254 -11.321 13.291 298 HG3 PRO 40 2HG PRO 40 10.857 -12.830 12.535 299 HD2 PRO 40 1HD PRO 40 11.968 -11.846 14.742 300 HD3 PRO 40 2HD PRO 40 12.978 -12.569 13.443 301 H GLN 41 H GLN 41 11.834 -7.936 10.591 302 HA GLN 41 HA GLN 41 9.950 -6.615 12.492 303 HB2 GLN 41 1HB GLN 41 12.020 -5.279 10.699 304 HB3 GLN 41 2HB GLN 41 10.790 -4.442 11.662 305 HG2 GLN 41 1HG GLN 41 11.786 -5.523 13.712 306 HG3 GLN 41 2HG GLN 41 13.113 -6.104 12.693 307 HE21 GLN 41 1HE2 GLN 41 13.618 -2.668 14.396 308 HE22 GLN 41 2HE2 GLN 41 12.752 -4.070 14.978 309 H ARG 42 H ARG 42 8.120 -5.790 11.531 310 HA ARG 42 HA ARG 42 7.493 -7.086 8.999 311 HB2 ARG 42 1HB ARG 42 5.748 -5.352 10.779 312 HB3 ARG 42 2HB ARG 42 5.201 -6.352 9.426 313 HG2 ARG 42 1HG ARG 42 6.534 -8.212 10.914 314 HG3 ARG 42 2HG ARG 42 5.952 -7.128 12.188 315 HD2 ARG 42 1HD ARG 42 3.962 -8.142 12.052 316 HD3 ARG 42 2HD ARG 42 3.767 -7.476 10.421 317 HE ARG 42 HE ARG 42 5.027 -9.541 9.613 318 HH11 ARG 42 1HH1 ARG 42 3.161 -9.699 12.624 319 HH12 ARG 42 2HH1 ARG 42 2.950 -11.423 12.494 320 HH21 ARG 42 1HH2 ARG 42 4.697 -11.674 9.504 321 HH22 ARG 42 2HH2 ARG 42 3.809 -12.534 10.752 322 H GLY 43 H GLY 43 6.204 -6.038 7.321 323 HA2 GLY 43 1HA GLY 43 6.568 -3.154 7.023 324 HA3 GLY 43 2HA GLY 43 7.478 -4.141 5.870 325 H ILE 44 H ILE 44 5.817 -2.531 4.706 326 HA ILE 44 HA ILE 44 3.073 -3.156 4.477 327 HB ILE 44 HB ILE 44 4.134 -1.095 3.530 328 HG12 ILE 44 1HG1 ILE 44 3.272 -1.409 1.034 329 HG13 ILE 44 2HG1 ILE 44 2.568 -2.878 1.678 330 HG21 ILE 44 1HG2 ILE 44 6.241 -2.249 2.703 331 HG22 ILE 44 2HG2 ILE 44 5.308 -2.858 1.335 332 HG23 ILE 44 3HG2 ILE 44 5.522 -1.109 1.555 333 HD11 ILE 44 1HD1 ILE 44 0.968 -1.089 1.642 334 HD12 ILE 44 2HD1 ILE 44 1.329 -1.532 3.332 335 HD13 ILE 44 3HD1 ILE 44 2.040 -0.058 2.615 336 H VAL 45 H VAL 45 5.897 -4.659 2.958 337 HA VAL 45 HA VAL 45 4.529 -6.166 1.007 338 HB VAL 45 HB VAL 45 6.942 -5.810 1.066 339 HG11 VAL 45 1HG1 VAL 45 7.366 -6.051 3.451 340 HG12 VAL 45 2HG1 VAL 45 7.075 -7.805 3.318 341 HG13 VAL 45 3HG1 VAL 45 8.454 -7.061 2.483 342 HG21 VAL 45 1HG2 VAL 45 6.282 -8.753 1.042 343 HG22 VAL 45 2HG2 VAL 45 6.008 -7.623 -0.303 344 HG23 VAL 45 3HG2 VAL 45 7.663 -7.969 0.242 345 H GLU 46 H GLU 46 4.933 -6.798 4.495 346 HA GLU 46 HA GLU 46 4.214 -9.552 4.103 347 HB2 GLU 46 1HB GLU 46 4.318 -7.813 6.577 348 HB3 GLU 46 2HB GLU 46 3.706 -9.471 6.611 349 HG2 GLU 46 1HG GLU 46 5.923 -10.146 5.514 350 HG3 GLU 46 2HG GLU 46 6.497 -8.533 5.978 351 H GLU 47 H GLU 47 2.480 -6.564 4.863 352 HA GLU 47 HA GLU 47 -0.028 -7.943 5.341 353 HB2 GLU 47 1HB GLU 47 1.026 -5.272 5.577 354 HB3 GLU 47 2HB GLU 47 -0.476 -5.220 4.646 355 HG2 GLU 47 1HG GLU 47 -1.603 -5.290 6.570 356 HG3 GLU 47 2HG GLU 47 -1.042 -6.949 6.788 357 H CYS 48 H CYS 48 1.579 -6.568 2.519 358 HA CYS 48 HA CYS 48 -0.955 -6.807 1.001 359 HB2 CYS 48 1HB CYS 48 1.687 -5.504 0.343 360 HB3 CYS 48 2HB CYS 48 0.308 -5.585 -0.753 361 H CYS 49 H CYS 49 2.225 -8.419 1.079 362 HA CYS 49 HA CYS 49 1.462 -9.788 -1.478 363 HB2 CYS 49 1HB CYS 49 3.651 -8.615 -1.382 364 HB3 CYS 49 2HB CYS 49 4.138 -9.667 -0.058 365 H PHE 50 H PHE 50 2.486 -10.399 1.892 366 HA PHE 50 HA PHE 50 2.133 -13.315 1.500 367 HB2 PHE 50 1HB PHE 50 2.979 -11.628 3.872 368 HB3 PHE 50 2HB PHE 50 2.766 -13.374 3.930 369 HD1 PHE 50 1HD PHE 50 4.826 -10.629 2.506 370 HD2 PHE 50 2HD PHE 50 4.370 -14.884 2.918 371 HE1 PHE 50 1HE PHE 50 7.141 -10.945 1.660 372 HE2 PHE 50 2HE PHE 50 6.689 -15.217 2.069 373 HZ PHE 50 HZ PHE 50 8.080 -13.245 1.438 374 H ARG 51 H ARG 51 0.302 -10.635 2.183 375 HA ARG 51 HA ARG 51 -2.046 -12.301 2.897 376 HB2 ARG 51 1HB ARG 51 -1.209 -9.717 4.279 377 HB3 ARG 51 2HB ARG 51 -2.846 -10.359 4.327 378 HG2 ARG 51 1HG ARG 51 -1.981 -12.391 5.430 379 HG3 ARG 51 2HG ARG 51 -0.369 -11.630 5.476 380 HD2 ARG 51 1HD ARG 51 -1.428 -11.164 7.586 381 HD3 ARG 51 2HD ARG 51 -1.435 -9.665 6.628 382 HE ARG 51 HE ARG 51 -3.841 -11.322 6.382 383 HH11 ARG 51 1HH1 ARG 51 -2.371 -8.582 8.064 384 HH12 ARG 51 2HH1 ARG 51 -3.917 -7.932 8.537 385 HH21 ARG 51 1HH2 ARG 51 -5.767 -10.431 7.020 386 HH22 ARG 51 2HH2 ARG 51 -5.802 -8.963 7.956 387 H SER 52 H SER 52 -3.816 -10.101 2.758 388 HA SER 52 HA SER 52 -3.109 -8.781 0.165 389 HB2 SER 52 1HB SER 52 -5.543 -8.790 -0.327 390 HB3 SER 52 2HB SER 52 -4.874 -10.431 -0.238 391 HG SER 52 HG SER 52 -6.936 -9.632 1.027 392 H CYS 53 H CYS 53 -3.965 -6.580 -0.011 393 HA CYS 53 HA CYS 53 -4.830 -5.407 2.578 394 HB2 CYS 53 1HB CYS 53 -3.075 -3.791 2.603 395 HB3 CYS 53 2HB CYS 53 -2.324 -5.382 2.449 396 H ASP 54 H ASP 54 -5.356 -3.095 2.374 397 HA ASP 54 HA ASP 54 -6.516 -2.436 -0.307 398 HB2 ASP 54 1HB ASP 54 -8.260 -2.895 1.390 399 HB3 ASP 54 2HB ASP 54 -7.487 -1.739 2.494 400 H LEU 55 H LEU 55 -6.670 -0.065 -0.672 401 HA LEU 55 HA LEU 55 -4.181 1.263 -0.240 402 HB2 LEU 55 1HB LEU 55 -5.270 3.227 -1.138 403 HB3 LEU 55 2HB LEU 55 -5.643 1.804 -2.095 404 HG LEU 55 HG LEU 55 -7.794 2.012 -0.298 405 HD11 LEU 55 1HD1 LEU 55 -7.074 4.757 -1.412 406 HD12 LEU 55 2HD1 LEU 55 -7.016 4.289 0.305 407 HD13 LEU 55 3HD1 LEU 55 -8.571 4.325 -0.550 408 HD21 LEU 55 1HD2 LEU 55 -9.063 2.636 -2.316 409 HD22 LEU 55 2HD2 LEU 55 -7.926 1.315 -2.636 410 HD23 LEU 55 3HD2 LEU 55 -7.539 2.970 -3.173 411 H ALA 56 H ALA 56 -7.178 1.244 1.715 412 HA ALA 56 HA ALA 56 -6.508 3.554 3.273 413 HB1 ALA 56 1HB ALA 56 -8.101 1.076 4.059 414 HB2 ALA 56 2HB ALA 56 -8.129 2.655 4.890 415 HB3 ALA 56 3HB ALA 56 -8.756 2.509 3.230 416 H LEU 57 H LEU 57 -5.729 0.092 3.641 417 HA LEU 57 HA LEU 57 -4.407 0.427 6.196 418 HB2 LEU 57 1HB LEU 57 -5.338 -1.726 5.393 419 HB3 LEU 57 2HB LEU 57 -4.145 -1.759 4.092 420 HG LEU 57 HG LEU 57 -3.052 -1.417 6.830 421 HD11 LEU 57 1HD1 LEU 57 -4.876 -2.999 7.260 422 HD12 LEU 57 2HD1 LEU 57 -3.295 -3.796 7.401 423 HD13 LEU 57 3HD1 LEU 57 -4.289 -4.050 5.945 424 HD21 LEU 57 1HD2 LEU 57 -1.352 -2.971 6.046 425 HD22 LEU 57 2HD2 LEU 57 -1.605 -1.715 4.825 426 HD23 LEU 57 3HD2 LEU 57 -2.302 -3.331 4.588 427 H LEU 58 H LEU 58 -3.403 0.263 2.790 428 HA LEU 58 HA LEU 58 -0.623 0.333 3.136 429 HB2 LEU 58 1HB LEU 58 -1.857 -0.150 1.086 430 HB3 LEU 58 2HB LEU 58 -2.469 1.489 1.039 431 HG LEU 58 HG LEU 58 0.433 0.816 0.732 432 HD11 LEU 58 1HD1 LEU 58 -0.042 1.052 -1.648 433 HD12 LEU 58 2HD1 LEU 58 -1.767 1.263 -1.244 434 HD13 LEU 58 3HD1 LEU 58 -0.943 -0.287 -0.907 435 HD21 LEU 58 1HD2 LEU 58 0.253 3.055 -0.646 436 HD22 LEU 58 2HD2 LEU 58 0.397 3.144 1.109 437 HD23 LEU 58 3HD2 LEU 58 -1.187 3.333 0.338 438 H GLU 59 H GLU 59 -2.999 2.984 2.867 439 HA GLU 59 HA GLU 59 -1.203 5.085 2.612 440 HB2 GLU 59 1HB GLU 59 -3.710 5.163 2.423 441 HB3 GLU 59 2HB GLU 59 -3.804 5.181 4.188 442 HG2 GLU 59 1HG GLU 59 -2.607 7.321 4.246 443 HG3 GLU 59 2HG GLU 59 -2.388 7.262 2.494 444 H THR 60 H THR 60 -1.952 3.250 5.499 445 HA THR 60 HA THR 60 -0.945 5.159 7.387 446 HB THR 60 HB THR 60 -1.080 3.441 9.020 447 HG1 THR 60 1HG THR 60 -1.328 1.545 6.891 448 HG21 THR 60 1HG2 THR 60 -3.221 2.718 6.982 449 HG22 THR 60 2HG2 THR 60 -3.251 4.236 7.907 450 HG23 THR 60 3HG2 THR 60 -3.333 2.669 8.750 451 H TYR 61 H TYR 61 0.713 3.187 5.126 452 HA TYR 61 HA TYR 61 3.238 3.116 6.720 453 HB2 TYR 61 1HB TYR 61 2.358 1.956 4.059 454 HB3 TYR 61 2HB TYR 61 4.056 2.035 4.511 455 HD1 TYR 61 1HD TYR 61 5.036 0.535 6.048 456 HD2 TYR 61 2HD TYR 61 0.774 0.491 5.465 457 HE1 TYR 61 1HE TYR 61 4.877 -1.610 7.320 458 HE2 TYR 61 2HE TYR 61 0.636 -1.676 6.728 459 HH TYR 61 HH TYR 61 1.848 -3.359 7.848 460 H CYS 62 H CYS 62 1.621 5.389 4.903 461 HA CYS 62 HA CYS 62 3.819 6.297 3.245 462 HB2 CYS 62 1HB CYS 62 1.280 7.698 4.110 463 HB3 CYS 62 2HB CYS 62 2.375 8.231 2.817 464 H ALA 63 H ALA 63 4.628 8.625 3.467 465 HA ALA 63 HA ALA 63 5.951 8.812 6.034 466 HB1 ALA 63 1HB ALA 63 6.954 10.862 5.074 467 HB2 ALA 63 2HB ALA 63 7.032 9.506 3.926 468 HB3 ALA 63 3HB ALA 63 5.812 10.785 3.712 469 H THR 64 H THR 64 2.916 9.838 4.921 470 HA THR 64 HA THR 64 2.621 11.709 7.231 471 HB THR 64 HB THR 64 0.762 12.739 5.774 472 HG1 THR 64 1HG THR 64 0.675 11.101 4.215 473 HG21 THR 64 1HG2 THR 64 2.911 13.839 6.205 474 HG22 THR 64 2HG2 THR 64 2.291 14.184 4.569 475 HG23 THR 64 3HG2 THR 64 3.611 13.010 4.789 476 HA PRO 65 HA PRO 65 -0.718 8.972 8.158 477 HB2 PRO 65 1HB PRO 65 -2.553 10.534 9.419 478 HB3 PRO 65 2HB PRO 65 -0.956 10.192 10.147 479 HG2 PRO 65 1HG PRO 65 -1.875 12.601 8.623 480 HG3 PRO 65 2HG PRO 65 -0.978 12.516 10.170 481 HD2 PRO 65 1HD PRO 65 0.202 12.943 7.729 482 HD3 PRO 65 2HD PRO 65 1.058 12.147 9.083 483 H ALA 66 H ALA 66 -3.320 8.982 7.938 484 HA ALA 66 HA ALA 66 -3.889 9.048 5.195 485 HB1 ALA 66 1HB ALA 66 -5.178 7.722 6.846 486 HB2 ALA 66 2HB ALA 66 -5.856 9.229 7.519 487 HB3 ALA 66 3HB ALA 66 -6.241 8.734 5.850 488 H LYS 67 H LYS 67 -4.848 10.431 3.817 489 HA LYS 67 HA LYS 67 -4.460 13.256 4.392 490 HB2 LYS 67 1HB LYS 67 -5.666 11.824 2.004 491 HB3 LYS 67 2HB LYS 67 -5.184 13.526 2.026 492 HG2 LYS 67 1HG LYS 67 -2.845 12.939 2.329 493 HG3 LYS 67 2HG LYS 67 -3.238 11.223 2.490 494 HD2 LYS 67 1HD LYS 67 -3.771 12.861 -0.017 495 HD3 LYS 67 2HD LYS 67 -2.336 11.850 0.239 496 HE2 LYS 67 1HE LYS 67 -3.824 9.859 0.543 497 HE3 LYS 67 2HE LYS 67 -5.225 10.879 0.172 498 HZ1 LYS 67 1HZ LYS 67 -4.069 11.354 -1.997 499 HZ2 LYS 67 2HZ LYS 67 -4.614 9.806 -1.808 500 HZ3 LYS 67 3HZ LYS 67 -3.012 10.132 -1.635 501 H SER 68 H SER 68 -6.391 12.468 6.188 502 HA SER 68 HA SER 68 -9.050 13.191 5.137 503 HB2 SER 68 1HB SER 68 -8.818 11.433 6.849 504 HB3 SER 68 2HB SER 68 -8.071 12.599 7.960 505 HG SER 68 HG SER 68 -10.005 13.771 7.952 506 H GLU 69 H GLU 69 -8.507 15.344 4.403 507 HA GLU 69 HA GLU 69 -8.264 17.339 6.616 508 HB2 GLU 69 1HB GLU 69 -6.494 17.378 4.857 509 HB3 GLU 69 2HB GLU 69 -7.688 17.752 3.633 510 HG2 GLU 69 1HG GLU 69 -7.419 19.490 6.148 511 HG3 GLU 69 2HG GLU 69 -6.286 19.691 4.818 Start of MODEL 5 1 HA ALA 1 HA ALA 1 -15.586 -12.254 -11.830 2 HB1 ALA 1 1HB ALA 1 -15.524 -10.064 -13.017 3 HB2 ALA 1 2HB ALA 1 -17.150 -10.764 -13.068 4 HB3 ALA 1 3HB ALA 1 -16.789 -9.435 -11.946 5 H TYR 2 H TYR 2 -14.030 -12.673 -10.441 6 HA TYR 2 HA TYR 2 -12.868 -10.432 -8.858 7 HB2 TYR 2 1HB TYR 2 -11.736 -12.291 -7.642 8 HB3 TYR 2 2HB TYR 2 -13.492 -12.358 -7.513 9 HD1 TYR 2 1HD TYR 2 -10.484 -13.979 -8.986 10 HD2 TYR 2 2HD TYR 2 -14.767 -14.188 -8.555 11 HE1 TYR 2 1HE TYR 2 -10.468 -16.315 -9.864 12 HE2 TYR 2 2HE TYR 2 -14.732 -16.525 -9.434 13 HH TYR 2 HH TYR 2 -11.718 -18.152 -10.418 14 H ARG 3 H ARG 3 -10.470 -10.369 -8.817 15 HA ARG 3 HA ARG 3 -9.337 -11.114 -11.458 16 HB2 ARG 3 1HB ARG 3 -8.187 -9.395 -9.238 17 HB3 ARG 3 2HB ARG 3 -7.484 -9.634 -10.835 18 HG2 ARG 3 1HG ARG 3 -9.411 -8.523 -11.873 19 HG3 ARG 3 2HG ARG 3 -10.161 -8.310 -10.274 20 HD2 ARG 3 1HD ARG 3 -8.193 -7.016 -9.546 21 HD3 ARG 3 2HD ARG 3 -7.516 -7.163 -11.180 22 HE ARG 3 HE ARG 3 -10.121 -6.105 -11.429 23 HH11 ARG 3 1HH1 ARG 3 -7.043 -5.068 -10.053 24 HH12 ARG 3 2HH1 ARG 3 -7.385 -3.379 -10.319 25 HH21 ARG 3 1HH2 ARG 3 -10.492 -3.934 -11.735 26 HH22 ARG 3 2HH2 ARG 3 -9.303 -2.752 -11.256 27 HA PRO 4 HA PRO 4 -7.263 -14.535 -9.479 28 HB2 PRO 4 1HB PRO 4 -4.867 -13.741 -11.127 29 HB3 PRO 4 2HB PRO 4 -5.672 -15.336 -10.999 30 HG2 PRO 4 1HG PRO 4 -5.997 -13.857 -13.163 31 HG3 PRO 4 2HG PRO 4 -7.399 -14.701 -12.428 32 HD2 PRO 4 1HD PRO 4 -6.608 -11.792 -12.190 33 HD3 PRO 4 2HD PRO 4 -8.217 -12.526 -12.509 34 H SER 5 H SER 5 -5.649 -11.395 -9.762 35 HA SER 5 HA SER 5 -4.168 -11.950 -7.234 36 HB2 SER 5 1HB SER 5 -3.299 -10.168 -9.537 37 HB3 SER 5 2HB SER 5 -2.378 -10.533 -8.060 38 HG SER 5 HG SER 5 -2.531 -12.792 -8.760 39 H GLU 6 H GLU 6 -5.821 -11.100 -5.973 40 HA GLU 6 HA GLU 6 -6.750 -8.342 -6.444 41 HB2 GLU 6 1HB GLU 6 -7.204 -10.217 -4.093 42 HB3 GLU 6 2HB GLU 6 -8.063 -8.701 -4.386 43 HG2 GLU 6 1HG GLU 6 -8.144 -10.959 -6.395 44 HG3 GLU 6 2HG GLU 6 -9.209 -10.948 -4.991 45 H THR 7 H THR 7 -4.198 -9.967 -4.797 46 HA THR 7 HA THR 7 -3.791 -7.911 -2.748 47 HB THR 7 HB THR 7 -1.639 -9.317 -2.401 48 HG1 THR 7 1HG THR 7 -1.704 -11.346 -3.390 49 HG21 THR 7 1HG2 THR 7 -4.336 -10.706 -2.159 50 HG22 THR 7 2HG2 THR 7 -3.651 -9.553 -0.985 51 HG23 THR 7 3HG2 THR 7 -2.854 -11.114 -1.263 52 H LEU 8 H LEU 8 -1.633 -6.896 -2.506 53 HA LEU 8 HA LEU 8 -0.755 -5.854 -5.169 54 HB2 LEU 8 1HB LEU 8 -0.745 -4.672 -2.387 55 HB3 LEU 8 2HB LEU 8 0.069 -3.935 -3.758 56 HG LEU 8 HG LEU 8 -2.886 -4.462 -3.692 57 HD11 LEU 8 1HD1 LEU 8 -3.130 -2.085 -3.173 58 HD12 LEU 8 2HD1 LEU 8 -1.364 -1.937 -3.033 59 HD13 LEU 8 3HD1 LEU 8 -2.271 -2.950 -1.882 60 HD21 LEU 8 1HD2 LEU 8 -2.908 -2.795 -5.523 61 HD22 LEU 8 2HD2 LEU 8 -1.973 -4.246 -5.937 62 HD23 LEU 8 3HD2 LEU 8 -1.133 -2.746 -5.468 63 H CYS 9 H CYS 9 1.139 -6.463 -5.852 64 HA CYS 9 HA CYS 9 3.379 -6.655 -3.907 65 HB2 CYS 9 1HB CYS 9 2.100 -8.914 -5.085 66 HB3 CYS 9 2HB CYS 9 3.624 -8.694 -5.947 67 H GLY 10 H GLY 10 5.494 -6.651 -5.063 68 HA2 GLY 10 1HA GLY 10 6.931 -5.780 -6.636 69 HA3 GLY 10 2HA GLY 10 5.703 -6.189 -7.841 70 H GLY 11 H GLY 11 5.986 -4.399 -9.116 71 HA2 GLY 11 1HA GLY 11 6.125 -1.736 -8.102 72 HA3 GLY 11 2HA GLY 11 5.776 -2.208 -9.771 73 H GLU 12 H GLU 12 3.342 -3.819 -8.681 74 HA GLU 12 HA GLU 12 1.457 -1.695 -9.088 75 HB2 GLU 12 1HB GLU 12 1.106 -4.166 -9.552 76 HB3 GLU 12 2HB GLU 12 0.915 -4.397 -7.807 77 HG2 GLU 12 1HG GLU 12 -1.272 -4.215 -8.781 78 HG3 GLU 12 2HG GLU 12 -0.961 -2.734 -7.862 79 H LEU 13 H LEU 13 2.804 -3.285 -6.203 80 HA LEU 13 HA LEU 13 1.030 -2.013 -4.322 81 HB2 LEU 13 1HB LEU 13 2.402 -3.958 -3.740 82 HB3 LEU 13 2HB LEU 13 3.880 -3.058 -4.044 83 HG LEU 13 HG LEU 13 3.546 -1.667 -2.126 84 HD11 LEU 13 1HD1 LEU 13 1.093 -1.405 -2.154 85 HD12 LEU 13 2HD1 LEU 13 1.684 -1.917 -0.573 86 HD13 LEU 13 3HD1 LEU 13 0.914 -3.100 -1.646 87 HD21 LEU 13 1HD2 LEU 13 4.583 -3.810 -1.741 88 HD22 LEU 13 2HD2 LEU 13 2.991 -4.589 -1.536 89 HD23 LEU 13 3HD2 LEU 13 3.558 -3.390 -0.356 90 H VAL 14 H VAL 14 4.227 -1.147 -5.736 91 HA VAL 14 HA VAL 14 4.662 1.205 -4.188 92 HB VAL 14 HB VAL 14 5.574 0.573 -7.042 93 HG11 VAL 14 1HG1 VAL 14 7.397 2.195 -6.590 94 HG12 VAL 14 2HG1 VAL 14 5.804 2.971 -6.569 95 HG13 VAL 14 3HG1 VAL 14 6.634 2.602 -5.038 96 HG21 VAL 14 1HG2 VAL 14 7.691 -0.145 -5.956 97 HG22 VAL 14 2HG2 VAL 14 6.957 0.125 -4.361 98 HG23 VAL 14 3HG2 VAL 14 6.321 -1.142 -5.436 99 H ASP 15 H ASP 15 3.043 0.683 -7.341 100 HA ASP 15 HA ASP 15 2.411 3.397 -7.881 101 HB2 ASP 15 1HB ASP 15 2.149 1.547 -9.504 102 HB3 ASP 15 2HB ASP 15 0.836 0.877 -8.529 103 H THR 16 H THR 16 0.746 0.965 -5.869 104 HA THR 16 HA THR 16 -1.564 2.610 -5.400 105 HB THR 16 HB THR 16 -0.452 0.443 -3.562 106 HG1 THR 16 1HG THR 16 -0.725 -0.278 -5.759 107 HG21 THR 16 1HG2 THR 16 -2.805 0.165 -2.971 108 HG22 THR 16 2HG2 THR 16 -3.270 1.457 -4.096 109 HG23 THR 16 3HG2 THR 16 -2.291 1.828 -2.654 110 H LEU 17 H LEU 17 1.521 2.143 -3.604 111 HA LEU 17 HA LEU 17 0.815 3.798 -1.378 112 HB2 LEU 17 1HB LEU 17 3.430 3.000 -2.649 113 HB3 LEU 17 2HB LEU 17 3.377 4.102 -1.275 114 HG LEU 17 HG LEU 17 1.844 1.572 -0.931 115 HD11 LEU 17 1HD1 LEU 17 3.778 0.743 -2.099 116 HD12 LEU 17 2HD1 LEU 17 3.841 0.296 -0.390 117 HD13 LEU 17 3HD1 LEU 17 4.862 1.623 -0.996 118 HD21 LEU 17 1HD2 LEU 17 2.164 3.378 0.817 119 HD22 LEU 17 2HD2 LEU 17 3.893 2.975 0.838 120 HD23 LEU 17 3HD2 LEU 17 2.689 1.762 1.326 121 H GLN 18 H GLN 18 2.220 4.522 -4.545 122 HA GLN 18 HA GLN 18 2.708 7.318 -4.032 123 HB2 GLN 18 1HB GLN 18 2.269 5.731 -6.588 124 HB3 GLN 18 2HB GLN 18 2.714 7.443 -6.567 125 HG2 GLN 18 1HG GLN 18 4.820 6.975 -5.519 126 HG3 GLN 18 2HG GLN 18 4.372 5.294 -5.223 127 HE21 GLN 18 1HE2 GLN 18 6.399 6.103 -8.469 128 HE22 GLN 18 2HE2 GLN 18 6.323 7.095 -7.033 129 H PHE 19 H PHE 19 -0.131 5.489 -5.202 130 HA PHE 19 HA PHE 19 -1.615 7.878 -5.900 131 HB2 PHE 19 1HB PHE 19 -2.080 5.676 -6.888 132 HB3 PHE 19 2HB PHE 19 -2.539 5.047 -5.303 133 HD1 PHE 19 1HD PHE 19 -3.499 7.471 -7.966 134 HD2 PHE 19 2HD PHE 19 -4.716 5.421 -4.383 135 HE1 PHE 19 1HE PHE 19 -5.844 8.229 -8.337 136 HE2 PHE 19 2HE PHE 19 -7.062 6.174 -4.741 137 HZ PHE 19 HZ PHE 19 -7.632 7.582 -6.719 138 H VAL 20 H VAL 20 -1.699 5.683 -3.046 139 HA VAL 20 HA VAL 20 -3.947 6.973 -1.848 140 HB VAL 20 HB VAL 20 -1.764 5.198 -0.642 141 HG11 VAL 20 1HG1 VAL 20 -3.362 4.817 1.241 142 HG12 VAL 20 2HG1 VAL 20 -2.706 6.459 1.197 143 HG13 VAL 20 3HG1 VAL 20 -4.362 6.152 0.620 144 HG21 VAL 20 1HG2 VAL 20 -3.459 3.453 -0.769 145 HG22 VAL 20 2HG2 VAL 20 -4.622 4.607 -1.466 146 HG23 VAL 20 3HG2 VAL 20 -3.165 4.149 -2.369 147 H CYS 21 H CYS 21 -0.434 7.492 -1.362 148 HA CYS 21 HA CYS 21 -1.169 9.652 0.567 149 HB2 CYS 21 1HB CYS 21 0.445 7.762 1.154 150 HB3 CYS 21 2HB CYS 21 1.596 8.557 0.066 151 H GLY 22 H GLY 22 0.334 9.175 -2.594 152 HA2 GLY 22 1HA GLY 22 0.727 10.913 -4.120 153 HA3 GLY 22 2HA GLY 22 0.701 12.092 -2.793 154 H ASP 23 H ASP 23 2.650 12.618 -4.134 155 HA ASP 23 HA ASP 23 5.019 11.079 -4.091 156 HB2 ASP 23 1HB ASP 23 4.243 13.137 -5.506 157 HB3 ASP 23 2HB ASP 23 5.025 14.086 -4.234 158 H ARG 24 H ARG 24 3.776 11.836 -1.273 159 HA ARG 24 HA ARG 24 5.755 13.440 0.068 160 HB2 ARG 24 1HB ARG 24 3.582 11.499 0.871 161 HB3 ARG 24 2HB ARG 24 4.686 12.156 2.074 162 HG2 ARG 24 1HG ARG 24 2.725 13.438 2.125 163 HG3 ARG 24 2HG ARG 24 3.967 14.469 1.423 164 HD2 ARG 24 1HD ARG 24 2.066 12.910 -0.323 165 HD3 ARG 24 2HD ARG 24 1.523 14.404 0.453 166 HE ARG 24 HE ARG 24 3.992 14.893 -0.878 167 HH11 ARG 24 1HH1 ARG 24 0.620 14.224 -1.671 168 HH12 ARG 24 2HH1 ARG 24 0.709 15.076 -3.194 169 HH21 ARG 24 1HH2 ARG 24 4.049 15.938 -2.843 170 HH22 ARG 24 2HH2 ARG 24 2.624 16.030 -3.844 171 H GLY 25 H GLY 25 5.856 10.227 -1.089 172 HA2 GLY 25 1HA GLY 25 7.708 8.785 -0.962 173 HA3 GLY 25 2HA GLY 25 8.368 9.748 0.375 174 H PHE 26 H PHE 26 8.247 6.907 0.414 175 HA PHE 26 HA PHE 26 6.622 6.485 2.817 176 HB2 PHE 26 1HB PHE 26 5.583 4.400 1.696 177 HB3 PHE 26 2HB PHE 26 4.874 5.971 1.317 178 HD1 PHE 26 1HD PHE 26 4.895 6.897 -0.865 179 HD2 PHE 26 2HD PHE 26 7.043 3.263 -0.035 180 HE1 PHE 26 1HE PHE 26 5.218 6.549 -3.285 181 HE2 PHE 26 2HE PHE 26 7.365 2.898 -2.478 182 HZ PHE 26 HZ PHE 26 6.456 4.555 -4.103 183 H TYR 27 H TYR 27 7.012 4.295 3.698 184 HA TYR 27 HA TYR 27 9.625 3.179 2.745 185 HB2 TYR 27 1HB TYR 27 9.848 2.601 5.303 186 HB3 TYR 27 2HB TYR 27 10.353 4.174 4.684 187 HD1 TYR 27 1HD TYR 27 9.647 6.106 5.781 188 HD2 TYR 27 2HD TYR 27 7.273 2.540 6.165 189 HE1 TYR 27 1HE TYR 27 8.157 7.265 7.410 190 HE2 TYR 27 2HE TYR 27 5.787 3.720 7.794 191 HH TYR 27 HH TYR 27 5.208 5.779 8.684 192 H PHE 28 H PHE 28 9.836 0.934 2.922 193 HA PHE 28 HA PHE 28 7.248 -0.411 2.714 194 HB2 PHE 28 1HB PHE 28 10.053 -0.963 1.971 195 HB3 PHE 28 2HB PHE 28 9.133 -2.385 2.472 196 HD1 PHE 28 1HD PHE 28 7.908 0.663 0.580 197 HD2 PHE 28 2HD PHE 28 8.697 -3.572 0.495 198 HE1 PHE 28 1HE PHE 28 6.826 0.509 -1.647 199 HE2 PHE 28 2HE PHE 28 7.610 -3.726 -1.739 200 HZ PHE 28 HZ PHE 28 6.657 -1.690 -2.804 201 H SER 29 H SER 29 9.437 0.181 5.248 202 HA SER 29 HA SER 29 7.962 -1.802 6.920 203 HB2 SER 29 1HB SER 29 10.918 -1.086 7.167 204 HB3 SER 29 2HB SER 29 10.005 -2.138 8.265 205 HG SER 29 HG SER 29 9.571 -3.375 6.178 206 H ARG 30 H ARG 30 7.321 -0.886 8.900 207 HA ARG 30 HA ARG 30 6.706 1.779 8.884 208 HB2 ARG 30 1HB ARG 30 7.041 -0.000 11.288 209 HB3 ARG 30 2HB ARG 30 6.238 1.569 11.326 210 HG2 ARG 30 1HG ARG 30 5.367 -0.681 9.539 211 HG3 ARG 30 2HG ARG 30 4.795 -0.466 11.199 212 HD2 ARG 30 1HD ARG 30 4.049 1.874 10.602 213 HD3 ARG 30 2HD ARG 30 4.493 1.550 8.922 214 HE ARG 30 HE ARG 30 2.578 0.285 8.645 215 HH11 ARG 30 1HH1 ARG 30 2.926 0.991 12.094 216 HH12 ARG 30 2HH1 ARG 30 1.325 0.410 12.463 217 HH21 ARG 30 1HH2 ARG 30 0.560 -0.426 9.201 218 HH22 ARG 30 2HH2 ARG 30 0.017 -0.385 10.855 219 HA PRO 31 HA PRO 31 9.874 3.185 11.988 220 HB2 PRO 31 1HB PRO 31 12.375 1.998 11.965 221 HB3 PRO 31 2HB PRO 31 11.035 1.581 13.073 222 HG2 PRO 31 1HG PRO 31 11.857 0.212 10.504 223 HG3 PRO 31 2HG PRO 31 11.390 -0.524 12.066 224 HD2 PRO 31 1HD PRO 31 9.736 -0.356 9.989 225 HD3 PRO 31 2HD PRO 31 9.174 -0.217 11.682 226 H ALA 32 H ALA 32 10.341 5.003 11.222 227 HA ALA 32 HA ALA 32 11.482 5.420 8.570 228 HB1 ALA 32 1HB ALA 32 9.584 6.673 9.519 229 HB2 ALA 32 2HB ALA 32 10.698 7.347 10.735 230 HB3 ALA 32 3HB ALA 32 10.934 7.716 9.011 231 H SER 33 H SER 33 13.191 4.321 10.683 232 HA SER 33 HA SER 33 15.022 6.267 11.703 233 HB2 SER 33 1HB SER 33 14.882 3.942 12.560 234 HB3 SER 33 2HB SER 33 15.545 3.345 11.021 235 HG SER 33 HG SER 33 17.097 3.685 12.779 236 H ARG 34 H ARG 34 16.926 7.081 10.897 237 HA ARG 34 HA ARG 34 17.062 7.290 8.003 238 HB2 ARG 34 1HB ARG 34 17.428 9.063 9.844 239 HB3 ARG 34 2HB ARG 34 19.086 8.452 9.879 240 HG2 ARG 34 1HG ARG 34 19.243 8.873 7.421 241 HG3 ARG 34 2HG ARG 34 17.601 9.546 7.454 242 HD2 ARG 34 1HD ARG 34 19.913 10.550 9.102 243 HD3 ARG 34 2HD ARG 34 19.422 11.231 7.540 244 HE ARG 34 HE ARG 34 17.134 11.218 9.166 245 HH11 ARG 34 1HH1 ARG 34 20.278 12.827 9.194 246 HH12 ARG 34 2HH1 ARG 34 19.662 14.217 10.046 247 HH21 ARG 34 1HH2 ARG 34 16.417 13.033 10.236 248 HH22 ARG 34 2HH2 ARG 34 17.517 14.328 10.623 249 H VAL 35 H VAL 35 17.518 4.676 8.311 250 HA VAL 35 HA VAL 35 20.364 4.396 7.557 251 HB VAL 35 HB VAL 35 20.482 2.208 8.786 252 HG11 VAL 35 1HG1 VAL 35 20.905 3.099 11.015 253 HG12 VAL 35 2HG1 VAL 35 21.428 4.285 9.800 254 HG13 VAL 35 3HG1 VAL 35 19.900 4.528 10.676 255 HG21 VAL 35 1HG2 VAL 35 18.854 1.681 10.571 256 HG22 VAL 35 2HG2 VAL 35 17.888 3.103 10.125 257 HG23 VAL 35 3HG2 VAL 35 18.052 1.749 8.988 258 H SER 36 H SER 36 20.587 2.385 6.295 259 HA SER 36 HA SER 36 18.057 1.652 4.903 260 HB2 SER 36 1HB SER 36 19.663 2.885 3.461 261 HB3 SER 36 2HB SER 36 20.906 1.667 3.826 262 HG SER 36 HG SER 36 19.721 1.309 1.839 263 H ARG 37 H ARG 37 17.708 -0.518 4.570 264 HA ARG 37 HA ARG 37 19.635 -2.449 5.736 265 HB2 ARG 37 1HB ARG 37 16.651 -2.324 6.351 266 HB3 ARG 37 2HB ARG 37 17.781 -3.556 6.891 267 HG2 ARG 37 1HG ARG 37 19.075 -1.696 8.078 268 HG3 ARG 37 2HG ARG 37 17.707 -0.638 7.703 269 HD2 ARG 37 1HD ARG 37 17.281 -1.351 9.881 270 HD3 ARG 37 2HD ARG 37 16.244 -2.395 8.899 271 HE ARG 37 HE ARG 37 18.800 -3.152 10.251 272 HH11 ARG 37 1HH1 ARG 37 15.860 -4.219 8.605 273 HH12 ARG 37 2HH1 ARG 37 16.129 -5.890 9.023 274 HH21 ARG 37 1HH2 ARG 37 19.071 -5.291 10.741 275 HH22 ARG 37 2HH2 ARG 37 17.911 -6.483 10.223 276 H ARG 38 H ARG 38 18.873 -4.734 5.102 277 HA ARG 38 HA ARG 38 18.526 -4.714 2.238 278 HB2 ARG 38 1HB ARG 38 18.957 -7.089 2.341 279 HB3 ARG 38 2HB ARG 38 20.126 -6.204 3.316 280 HG2 ARG 38 1HG ARG 38 19.230 -7.028 5.365 281 HG3 ARG 38 2HG ARG 38 17.706 -7.516 4.597 282 HD2 ARG 38 1HD ARG 38 19.089 -9.113 3.158 283 HD3 ARG 38 2HD ARG 38 20.436 -8.789 4.256 284 HE ARG 38 HE ARG 38 19.415 -10.100 5.882 285 HH11 ARG 38 1HH1 ARG 38 17.083 -9.577 3.267 286 HH12 ARG 38 2HH1 ARG 38 16.021 -10.832 3.845 287 HH21 ARG 38 1HH2 ARG 38 17.987 -11.664 6.569 288 HH22 ARG 38 2HH2 ARG 38 16.517 -11.975 5.687 289 H SER 39 H SER 39 16.228 -3.710 3.232 290 HA SER 39 HA SER 39 13.914 -3.931 3.240 291 HB2 SER 39 1HB SER 39 14.837 -3.747 0.868 292 HB3 SER 39 2HB SER 39 14.411 -5.461 0.687 293 HG SER 39 HG SER 39 12.669 -4.220 0.037 294 HA PRO 40 HA PRO 40 13.380 -8.315 4.522 295 HB2 PRO 40 1HB PRO 40 11.981 -7.905 6.831 296 HB3 PRO 40 2HB PRO 40 13.773 -7.819 6.777 297 HG2 PRO 40 1HG PRO 40 11.769 -5.568 6.616 298 HG3 PRO 40 2HG PRO 40 13.191 -5.728 7.694 299 HD2 PRO 40 1HD PRO 40 13.312 -4.298 5.404 300 HD3 PRO 40 2HD PRO 40 14.704 -5.302 5.941 301 H GLN 41 H GLN 41 11.437 -9.565 4.365 302 HA GLN 41 HA GLN 41 9.436 -8.412 2.711 303 HB2 GLN 41 1HB GLN 41 8.392 -10.554 2.773 304 HB3 GLN 41 2HB GLN 41 10.139 -10.807 2.797 305 HG2 GLN 41 1HG GLN 41 9.840 -10.980 5.387 306 HG3 GLN 41 2HG GLN 41 8.133 -11.247 5.001 307 HE21 GLN 41 1HE2 GLN 41 8.622 -14.554 3.960 308 HE22 GLN 41 2HE2 GLN 41 7.503 -13.234 4.198 309 H ARG 42 H ARG 42 9.623 -8.659 6.209 310 HA ARG 42 HA ARG 42 6.776 -8.308 6.569 311 HB2 ARG 42 1HB ARG 42 7.156 -7.992 8.880 312 HB3 ARG 42 2HB ARG 42 8.126 -9.348 8.326 313 HG2 ARG 42 1HG ARG 42 10.141 -8.059 8.462 314 HG3 ARG 42 2HG ARG 42 9.215 -6.562 8.737 315 HD2 ARG 42 1HD ARG 42 8.223 -7.623 10.776 316 HD3 ARG 42 2HD ARG 42 9.363 -8.966 10.575 317 HE ARG 42 HE ARG 42 10.864 -6.576 10.575 318 HH11 ARG 42 1HH1 ARG 42 8.849 -8.349 12.870 319 HH12 ARG 42 2HH1 ARG 42 9.717 -7.735 14.250 320 HH21 ARG 42 1HH2 ARG 42 11.919 -5.825 12.397 321 HH22 ARG 42 2HH2 ARG 42 11.415 -6.334 13.984 322 H GLY 43 H GLY 43 5.595 -6.561 7.034 323 HA2 GLY 43 1HA GLY 43 5.665 -4.050 7.443 324 HA3 GLY 43 2HA GLY 43 6.883 -4.020 6.140 325 H ILE 44 H ILE 44 5.611 -2.830 4.679 326 HA ILE 44 HA ILE 44 2.884 -3.253 4.190 327 HB ILE 44 HB ILE 44 4.303 -1.286 3.455 328 HG12 ILE 44 1HG1 ILE 44 3.199 -1.143 1.097 329 HG13 ILE 44 2HG1 ILE 44 2.420 -2.654 1.534 330 HG21 ILE 44 1HG2 ILE 44 5.526 -1.382 1.363 331 HG22 ILE 44 2HG2 ILE 44 6.151 -2.638 2.453 332 HG23 ILE 44 3HG2 ILE 44 5.074 -3.081 1.120 333 HD11 ILE 44 1HD1 ILE 44 2.148 0.027 2.909 334 HD12 ILE 44 2HD1 ILE 44 0.920 -0.874 1.991 335 HD13 ILE 44 3HD1 ILE 44 1.479 -1.496 3.559 336 H VAL 45 H VAL 45 5.636 -5.078 2.758 337 HA VAL 45 HA VAL 45 3.987 -6.278 0.726 338 HB VAL 45 HB VAL 45 6.566 -7.374 1.933 339 HG11 VAL 45 1HG1 VAL 45 5.304 -9.055 0.622 340 HG12 VAL 45 2HG1 VAL 45 5.203 -7.922 -0.742 341 HG13 VAL 45 3HG1 VAL 45 6.781 -8.567 -0.230 342 HG21 VAL 45 1HG2 VAL 45 7.655 -6.298 -0.043 343 HG22 VAL 45 2HG2 VAL 45 6.108 -5.504 -0.422 344 HG23 VAL 45 3HG2 VAL 45 6.964 -5.127 1.092 345 H GLU 46 H GLU 46 4.937 -7.304 4.041 346 HA GLU 46 HA GLU 46 3.539 -9.824 3.821 347 HB2 GLU 46 1HB GLU 46 4.693 -8.261 6.080 348 HB3 GLU 46 2HB GLU 46 3.411 -9.420 6.458 349 HG2 GLU 46 1HG GLU 46 4.726 -11.160 5.155 350 HG3 GLU 46 2HG GLU 46 6.067 -10.008 5.126 351 H GLU 47 H GLU 47 2.547 -6.551 4.706 352 HA GLU 47 HA GLU 47 -0.044 -7.448 5.664 353 HB2 GLU 47 1HB GLU 47 1.379 -4.867 5.272 354 HB3 GLU 47 2HB GLU 47 -0.387 -4.810 5.235 355 HG2 GLU 47 1HG GLU 47 0.347 -4.396 7.508 356 HG3 GLU 47 2HG GLU 47 -0.455 -5.969 7.444 357 H CYS 48 H CYS 48 1.105 -6.128 2.524 358 HA CYS 48 HA CYS 48 -1.714 -6.235 1.571 359 HB2 CYS 48 1HB CYS 48 0.722 -4.807 0.485 360 HB3 CYS 48 2HB CYS 48 -0.884 -4.774 -0.247 361 H CYS 49 H CYS 49 1.176 -8.062 1.151 362 HA CYS 49 HA CYS 49 0.112 -9.099 -1.452 363 HB2 CYS 49 1HB CYS 49 2.411 -8.094 -1.491 364 HB3 CYS 49 2HB CYS 49 2.937 -9.364 -0.387 365 H PHE 50 H PHE 50 1.735 -10.108 1.599 366 HA PHE 50 HA PHE 50 1.015 -12.919 1.168 367 HB2 PHE 50 1HB PHE 50 2.143 -11.407 3.544 368 HB3 PHE 50 2HB PHE 50 1.765 -13.125 3.591 369 HD1 PHE 50 1HD PHE 50 3.201 -14.762 2.623 370 HD2 PHE 50 2HD PHE 50 3.972 -10.584 1.960 371 HE1 PHE 50 1HE PHE 50 5.443 -15.324 1.698 372 HE2 PHE 50 2HE PHE 50 6.220 -11.134 1.046 373 HZ PHE 50 HZ PHE 50 6.962 -13.508 0.912 374 H ARG 51 H ARG 51 -0.576 -10.128 2.253 375 HA ARG 51 HA ARG 51 -2.954 -11.709 3.018 376 HB2 ARG 51 1HB ARG 51 -1.642 -9.579 4.760 377 HB3 ARG 51 2HB ARG 51 -3.365 -9.929 4.842 378 HG2 ARG 51 1HG ARG 51 -2.533 -12.411 5.197 379 HG3 ARG 51 2HG ARG 51 -1.057 -11.585 5.749 380 HD2 ARG 51 1HD ARG 51 -2.386 -11.809 7.698 381 HD3 ARG 51 2HD ARG 51 -2.634 -10.129 7.173 382 HE ARG 51 HE ARG 51 -4.595 -11.945 6.053 383 HH11 ARG 51 1HH1 ARG 51 -3.871 -10.096 8.970 384 HH12 ARG 51 2HH1 ARG 51 -5.545 -10.013 9.443 385 HH21 ARG 51 1HH2 ARG 51 -6.709 -11.805 6.729 386 HH22 ARG 51 2HH2 ARG 51 -7.118 -10.959 8.195 387 H SER 52 H SER 52 -4.796 -9.969 3.154 388 HA SER 52 HA SER 52 -4.399 -8.049 0.912 389 HB2 SER 52 1HB SER 52 -6.413 -9.543 0.900 390 HB3 SER 52 2HB SER 52 -6.928 -8.810 2.436 391 HG SER 52 HG SER 52 -7.930 -7.764 0.700 392 H CYS 53 H CYS 53 -4.954 -5.786 1.285 393 HA CYS 53 HA CYS 53 -5.175 -4.938 4.119 394 HB2 CYS 53 1HB CYS 53 -3.374 -3.381 3.947 395 HB3 CYS 53 2HB CYS 53 -2.740 -4.948 3.461 396 H ASP 54 H ASP 54 -5.644 -2.562 4.234 397 HA ASP 54 HA ASP 54 -7.308 -1.721 1.891 398 HB2 ASP 54 1HB ASP 54 -8.398 -0.275 3.672 399 HB3 ASP 54 2HB ASP 54 -8.662 -2.025 3.858 400 H LEU 55 H LEU 55 -7.337 0.643 1.568 401 HA LEU 55 HA LEU 55 -4.709 1.697 1.305 402 HB2 LEU 55 1HB LEU 55 -5.802 3.780 0.688 403 HB3 LEU 55 2HB LEU 55 -6.479 2.399 -0.151 404 HG LEU 55 HG LEU 55 -8.198 2.704 2.017 405 HD11 LEU 55 1HD1 LEU 55 -7.112 4.863 2.596 406 HD12 LEU 55 2HD1 LEU 55 -8.793 5.086 2.067 407 HD13 LEU 55 3HD1 LEU 55 -7.454 5.466 0.959 408 HD21 LEU 55 1HD2 LEU 55 -8.817 2.227 -0.318 409 HD22 LEU 55 2HD2 LEU 55 -8.418 3.900 -0.775 410 HD23 LEU 55 3HD2 LEU 55 -9.770 3.575 0.335 411 H ALA 56 H ALA 56 -7.000 1.944 3.998 412 HA ALA 56 HA ALA 56 -5.765 4.270 5.132 413 HB1 ALA 56 1HB ALA 56 -7.367 2.104 6.539 414 HB2 ALA 56 2HB ALA 56 -7.058 3.751 7.129 415 HB3 ALA 56 3HB ALA 56 -8.072 3.498 5.690 416 H LEU 57 H LEU 57 -5.501 0.767 5.779 417 HA LEU 57 HA LEU 57 -3.458 0.921 7.763 418 HB2 LEU 57 1HB LEU 57 -4.850 -1.070 7.253 419 HB3 LEU 57 2HB LEU 57 -4.035 -1.250 5.699 420 HG LEU 57 HG LEU 57 -2.275 -1.153 8.075 421 HD11 LEU 57 1HD1 LEU 57 -4.126 -2.465 8.969 422 HD12 LEU 57 2HD1 LEU 57 -2.724 -3.514 8.667 423 HD13 LEU 57 3HD1 LEU 57 -4.102 -3.517 7.535 424 HD21 LEU 57 1HD2 LEU 57 -2.368 -3.141 5.790 425 HD22 LEU 57 2HD2 LEU 57 -1.026 -2.822 6.904 426 HD23 LEU 57 3HD2 LEU 57 -1.492 -1.598 5.717 427 H LEU 58 H LEU 58 -3.343 0.645 4.216 428 HA LEU 58 HA LEU 58 -0.554 0.405 3.897 429 HB2 LEU 58 1HB LEU 58 -2.274 0.016 2.217 430 HB3 LEU 58 2HB LEU 58 -2.744 1.700 2.260 431 HG LEU 58 HG LEU 58 -0.053 0.809 1.316 432 HD11 LEU 58 1HD1 LEU 58 -1.025 0.937 -0.894 433 HD12 LEU 58 2HD1 LEU 58 -2.603 1.315 -0.153 434 HD13 LEU 58 3HD1 LEU 58 -1.841 -0.278 0.107 435 HD21 LEU 58 1HD2 LEU 58 0.066 3.157 1.594 436 HD22 LEU 58 2HD2 LEU 58 -1.618 3.383 1.085 437 HD23 LEU 58 3HD2 LEU 58 -0.375 2.961 -0.100 438 H GLU 59 H GLU 59 -2.667 3.284 4.058 439 HA GLU 59 HA GLU 59 -0.729 5.151 3.326 440 HB2 GLU 59 1HB GLU 59 -3.181 5.540 3.553 441 HB3 GLU 59 2HB GLU 59 -3.003 5.600 5.303 442 HG2 GLU 59 1HG GLU 59 -1.893 7.649 5.243 443 HG3 GLU 59 2HG GLU 59 -1.365 7.420 3.574 444 H THR 60 H THR 60 -1.086 3.525 6.414 445 HA THR 60 HA THR 60 0.364 5.383 8.033 446 HB THR 60 HB THR 60 0.629 3.604 9.629 447 HG1 THR 60 1HG THR 60 -0.229 1.776 7.609 448 HG21 THR 60 1HG2 THR 60 -1.643 2.857 9.892 449 HG22 THR 60 2HG2 THR 60 -1.971 3.015 8.155 450 HG23 THR 60 3HG2 THR 60 -1.724 4.471 9.143 451 H TYR 61 H TYR 61 1.450 3.389 5.462 452 HA TYR 61 HA TYR 61 4.219 3.220 6.518 453 HB2 TYR 61 1HB TYR 61 2.909 2.191 3.987 454 HB3 TYR 61 2HB TYR 61 4.620 2.016 4.352 455 HD1 TYR 61 1HD TYR 61 1.204 1.058 5.534 456 HD2 TYR 61 2HD TYR 61 5.428 0.302 5.836 457 HE1 TYR 61 1HE TYR 61 0.730 -1.013 6.799 458 HE2 TYR 61 2HE TYR 61 4.937 -1.792 7.128 459 HH TYR 61 HH TYR 61 3.208 -3.278 7.841 460 H CYS 62 H CYS 62 2.380 5.578 5.120 461 HA CYS 62 HA CYS 62 4.318 6.619 3.204 462 HB2 CYS 62 1HB CYS 62 1.848 7.108 3.193 463 HB3 CYS 62 2HB CYS 62 2.095 8.098 4.638 464 H ALA 63 H ALA 63 5.661 8.457 3.521 465 HA ALA 63 HA ALA 63 7.043 8.397 6.025 466 HB1 ALA 63 1HB ALA 63 7.162 10.377 3.731 467 HB2 ALA 63 2HB ALA 63 8.354 10.242 5.048 468 HB3 ALA 63 3HB ALA 63 8.136 8.898 3.904 469 H THR 64 H THR 64 4.454 10.441 4.808 470 HA THR 64 HA THR 64 4.332 11.761 7.464 471 HB THR 64 HB THR 64 3.594 13.888 6.074 472 HG1 THR 64 1HG THR 64 5.381 12.578 4.275 473 HG21 THR 64 1HG2 THR 64 5.888 14.751 6.088 474 HG22 THR 64 2HG2 THR 64 6.526 13.101 6.257 475 HG23 THR 64 3HG2 THR 64 5.558 13.819 7.564 476 HA PRO 65 HA PRO 65 0.140 10.765 6.714 477 HB2 PRO 65 1HB PRO 65 -1.291 12.523 8.194 478 HB3 PRO 65 2HB PRO 65 -0.188 11.342 8.968 479 HG2 PRO 65 1HG PRO 65 0.309 14.210 8.252 480 HG3 PRO 65 2HG PRO 65 0.539 13.378 9.812 481 HD2 PRO 65 1HD PRO 65 2.582 13.772 8.078 482 HD3 PRO 65 2HD PRO 65 2.483 12.297 9.098 483 H ALA 66 H ALA 66 -2.041 11.769 6.085 484 HA ALA 66 HA ALA 66 -1.687 13.286 3.657 485 HB1 ALA 66 1HB ALA 66 -4.168 13.241 3.564 486 HB2 ALA 66 2HB ALA 66 -3.516 11.630 3.933 487 HB3 ALA 66 3HB ALA 66 -4.224 12.624 5.232 488 H LYS 67 H LYS 67 -1.257 15.402 3.615 489 HA LYS 67 HA LYS 67 -1.751 17.102 5.937 490 HB2 LYS 67 1HB LYS 67 0.268 17.105 4.334 491 HB3 LYS 67 2HB LYS 67 -0.767 18.008 3.221 492 HG2 LYS 67 1HG LYS 67 -1.099 19.719 5.062 493 HG3 LYS 67 2HG LYS 67 0.096 18.833 6.025 494 HD2 LYS 67 1HD LYS 67 1.779 19.192 4.253 495 HD3 LYS 67 2HD LYS 67 0.566 20.056 3.280 496 HE2 LYS 67 1HE LYS 67 0.306 21.714 5.118 497 HE3 LYS 67 2HE LYS 67 1.581 20.880 6.031 498 HZ1 LYS 67 1HZ LYS 67 3.108 21.373 4.213 499 HZ2 LYS 67 2HZ LYS 67 2.453 22.768 4.802 500 HZ3 LYS 67 3HZ LYS 67 1.920 22.145 3.370 501 H SER 68 H SER 68 -4.183 16.228 5.165 502 HA SER 68 HA SER 68 -5.461 18.163 3.346 503 HB2 SER 68 1HB SER 68 -6.180 15.789 3.429 504 HB3 SER 68 2HB SER 68 -6.661 15.999 5.125 505 HG SER 68 HG SER 68 -8.243 17.408 4.494 506 H GLU 69 H GLU 69 -4.604 19.974 4.758 507 HA GLU 69 HA GLU 69 -6.705 20.719 6.735 508 HB2 GLU 69 1HB GLU 69 -3.699 21.006 7.282 509 HB3 GLU 69 2HB GLU 69 -4.977 21.761 8.222 510 HG2 GLU 69 1HG GLU 69 -4.488 19.848 9.499 511 HG3 GLU 69 2HG GLU 69 -5.909 19.334 8.593 Start of MODEL 6 1 HA ALA 1 HA ALA 1 -15.325 -14.935 -7.605 2 HB1 ALA 1 1HB ALA 1 -15.902 -12.786 -9.714 3 HB2 ALA 1 2HB ALA 1 -14.720 -14.097 -9.866 4 HB3 ALA 1 3HB ALA 1 -16.451 -14.472 -9.791 5 H TYR 2 H TYR 2 -13.154 -14.529 -7.692 6 HA TYR 2 HA TYR 2 -12.339 -12.213 -6.056 7 HB2 TYR 2 1HB TYR 2 -10.138 -13.412 -6.044 8 HB3 TYR 2 2HB TYR 2 -11.476 -14.359 -5.391 9 HD1 TYR 2 1HD TYR 2 -9.150 -14.002 -8.270 10 HD2 TYR 2 2HD TYR 2 -12.240 -16.406 -6.490 11 HE1 TYR 2 1HE TYR 2 -8.637 -15.840 -9.866 12 HE2 TYR 2 2HE TYR 2 -11.719 -18.247 -8.097 13 HH TYR 2 HH TYR 2 -9.162 -17.939 -10.571 14 H ARG 3 H ARG 3 -10.584 -10.832 -6.651 15 HA ARG 3 HA ARG 3 -10.652 -9.962 -9.406 16 HB2 ARG 3 1HB ARG 3 -8.954 -9.273 -7.026 17 HB3 ARG 3 2HB ARG 3 -8.754 -8.496 -8.600 18 HG2 ARG 3 1HG ARG 3 -10.792 -7.411 -8.489 19 HG3 ARG 3 2HG ARG 3 -11.455 -8.552 -7.296 20 HD2 ARG 3 1HD ARG 3 -10.888 -6.428 -6.265 21 HD3 ARG 3 2HD ARG 3 -9.943 -7.785 -5.634 22 HE ARG 3 HE ARG 3 -7.985 -6.915 -6.544 23 HH11 ARG 3 1HH1 ARG 3 -10.713 -4.944 -7.651 24 HH12 ARG 3 2HH1 ARG 3 -9.666 -3.704 -8.289 25 HH21 ARG 3 1HH2 ARG 3 -6.740 -5.318 -7.366 26 HH22 ARG 3 2HH2 ARG 3 -7.444 -3.914 -8.129 27 HA PRO 4 HA PRO 4 -7.130 -12.353 -10.908 28 HB2 PRO 4 1HB PRO 4 -6.161 -9.728 -12.040 29 HB3 PRO 4 2HB PRO 4 -6.347 -11.310 -12.859 30 HG2 PRO 4 1HG PRO 4 -8.085 -9.370 -13.331 31 HG3 PRO 4 2HG PRO 4 -8.671 -11.047 -13.062 32 HD2 PRO 4 1HD PRO 4 -8.597 -8.733 -11.110 33 HD3 PRO 4 2HD PRO 4 -9.931 -9.885 -11.467 34 H SER 5 H SER 5 -6.762 -9.167 -9.408 35 HA SER 5 HA SER 5 -4.309 -10.120 -8.007 36 HB2 SER 5 1HB SER 5 -4.970 -7.273 -8.830 37 HB3 SER 5 2HB SER 5 -3.523 -7.814 -7.955 38 HG SER 5 HG SER 5 -2.777 -7.897 -9.940 39 H GLU 6 H GLU 6 -5.514 -10.878 -6.253 40 HA GLU 6 HA GLU 6 -7.261 -9.031 -4.741 41 HB2 GLU 6 1HB GLU 6 -6.166 -11.817 -4.208 42 HB3 GLU 6 2HB GLU 6 -7.213 -10.948 -3.079 43 HG2 GLU 6 1HG GLU 6 -8.109 -11.313 -5.912 44 HG3 GLU 6 2HG GLU 6 -8.187 -12.690 -4.801 45 H THR 7 H THR 7 -3.987 -10.265 -4.820 46 HA THR 7 HA THR 7 -3.246 -8.718 -2.382 47 HB THR 7 HB THR 7 -1.069 -9.993 -2.627 48 HG1 THR 7 1HG THR 7 -1.411 -10.456 -4.898 49 HG21 THR 7 1HG2 THR 7 -3.526 -11.789 -2.467 50 HG22 THR 7 2HG2 THR 7 -2.881 -10.817 -1.120 51 HG23 THR 7 3HG2 THR 7 -1.909 -12.129 -1.813 52 H LEU 8 H LEU 8 -1.305 -7.413 -2.587 53 HA LEU 8 HA LEU 8 -0.901 -6.356 -5.363 54 HB2 LEU 8 1HB LEU 8 -2.375 -4.973 -3.907 55 HB3 LEU 8 2HB LEU 8 -1.103 -4.883 -2.716 56 HG LEU 8 HG LEU 8 0.246 -3.639 -4.415 57 HD11 LEU 8 1HD1 LEU 8 -0.927 -4.353 -6.462 58 HD12 LEU 8 2HD1 LEU 8 -0.975 -2.588 -6.287 59 HD13 LEU 8 3HD1 LEU 8 -2.410 -3.560 -5.895 60 HD21 LEU 8 1HD2 LEU 8 -2.457 -2.430 -3.720 61 HD22 LEU 8 2HD2 LEU 8 -0.909 -1.588 -3.923 62 HD23 LEU 8 3HD2 LEU 8 -1.144 -2.664 -2.543 63 H CYS 9 H CYS 9 1.169 -6.821 -5.921 64 HA CYS 9 HA CYS 9 3.263 -6.470 -3.814 65 HB2 CYS 9 1HB CYS 9 2.177 -8.886 -4.161 66 HB3 CYS 9 2HB CYS 9 3.370 -8.960 -5.461 67 H GLY 10 H GLY 10 5.372 -6.111 -4.524 68 HA2 GLY 10 1HA GLY 10 7.076 -5.801 -6.096 69 HA3 GLY 10 2HA GLY 10 5.984 -6.368 -7.369 70 H GLY 11 H GLY 11 6.222 -4.752 -8.879 71 HA2 GLY 11 1HA GLY 11 6.616 -2.027 -8.200 72 HA3 GLY 11 2HA GLY 11 6.154 -2.640 -9.792 73 H GLU 12 H GLU 12 3.588 -3.799 -8.831 74 HA GLU 12 HA GLU 12 1.966 -1.446 -9.151 75 HB2 GLU 12 1HB GLU 12 0.111 -3.093 -8.448 76 HB3 GLU 12 2HB GLU 12 1.007 -3.435 -9.934 77 HG2 GLU 12 1HG GLU 12 2.336 -5.114 -8.857 78 HG3 GLU 12 2HG GLU 12 1.705 -4.669 -7.263 79 H LEU 13 H LEU 13 3.172 -3.198 -6.314 80 HA LEU 13 HA LEU 13 1.386 -1.941 -4.426 81 HB2 LEU 13 1HB LEU 13 2.675 -3.986 -3.933 82 HB3 LEU 13 2HB LEU 13 4.182 -3.092 -4.056 83 HG LEU 13 HG LEU 13 3.708 -1.857 -2.038 84 HD11 LEU 13 1HD1 LEU 13 1.293 -1.572 -2.185 85 HD12 LEU 13 2HD1 LEU 13 1.731 -2.325 -0.650 86 HD13 LEU 13 3HD1 LEU 13 1.059 -3.324 -1.953 87 HD21 LEU 13 1HD2 LEU 13 3.122 -4.797 -1.705 88 HD22 LEU 13 2HD2 LEU 13 3.680 -3.679 -0.444 89 HD23 LEU 13 3HD2 LEU 13 4.730 -4.036 -1.824 90 H VAL 14 H VAL 14 4.617 -1.179 -5.776 91 HA VAL 14 HA VAL 14 5.093 1.135 -4.140 92 HB VAL 14 HB VAL 14 6.176 0.487 -6.927 93 HG11 VAL 14 1HG1 VAL 14 6.485 2.859 -6.335 94 HG12 VAL 14 2HG1 VAL 14 7.189 2.386 -4.776 95 HG13 VAL 14 3HG1 VAL 14 8.038 2.001 -6.290 96 HG21 VAL 14 1HG2 VAL 14 6.694 -1.302 -5.286 97 HG22 VAL 14 2HG2 VAL 14 8.150 -0.407 -5.752 98 HG23 VAL 14 3HG2 VAL 14 7.377 -0.086 -4.184 99 H ASP 15 H ASP 15 3.583 0.641 -7.349 100 HA ASP 15 HA ASP 15 3.215 3.406 -7.966 101 HB2 ASP 15 1HB ASP 15 2.913 1.473 -9.539 102 HB3 ASP 15 2HB ASP 15 1.408 1.076 -8.698 103 H THR 16 H THR 16 1.168 1.047 -6.220 104 HA THR 16 HA THR 16 -0.974 2.849 -5.720 105 HB THR 16 HB THR 16 -0.055 0.557 -3.929 106 HG1 THR 16 1HG THR 16 -0.357 -0.128 -6.106 107 HG21 THR 16 1HG2 THR 16 -2.469 0.419 -3.457 108 HG22 THR 16 2HG2 THR 16 -2.738 1.891 -4.418 109 HG23 THR 16 3HG2 THR 16 -1.756 1.958 -2.928 110 H LEU 17 H LEU 17 2.018 2.184 -3.857 111 HA LEU 17 HA LEU 17 1.315 3.782 -1.578 112 HB2 LEU 17 1HB LEU 17 3.928 2.909 -2.836 113 HB3 LEU 17 2HB LEU 17 3.915 3.986 -1.444 114 HG LEU 17 HG LEU 17 2.342 1.440 -1.244 115 HD11 LEU 17 1HD1 LEU 17 4.339 0.641 -2.203 116 HD12 LEU 17 2HD1 LEU 17 4.289 0.232 -0.489 117 HD13 LEU 17 3HD1 LEU 17 5.332 1.565 -1.047 118 HD21 LEU 17 1HD2 LEU 17 3.037 1.605 1.085 119 HD22 LEU 17 2HD2 LEU 17 2.367 3.159 0.560 120 HD23 LEU 17 3HD2 LEU 17 4.132 2.955 0.705 121 H GLN 18 H GLN 18 2.866 4.563 -4.706 122 HA GLN 18 HA GLN 18 3.352 7.337 -4.058 123 HB2 GLN 18 1HB GLN 18 3.015 5.883 -6.701 124 HB3 GLN 18 2HB GLN 18 3.428 7.592 -6.572 125 HG2 GLN 18 1HG GLN 18 5.495 7.046 -5.412 126 HG3 GLN 18 2HG GLN 18 5.081 5.326 -5.442 127 HE21 GLN 18 1HE2 GLN 18 5.920 4.840 -8.821 128 HE22 GLN 18 2HE2 GLN 18 5.041 4.217 -7.442 129 H PHE 19 H PHE 19 0.607 5.561 -5.552 130 HA PHE 19 HA PHE 19 -0.840 7.927 -6.281 131 HB2 PHE 19 1HB PHE 19 -1.253 5.691 -7.228 132 HB3 PHE 19 2HB PHE 19 -1.827 5.120 -5.659 133 HD1 PHE 19 1HD PHE 19 -4.053 5.577 -4.890 134 HD2 PHE 19 2HD PHE 19 -2.583 7.386 -8.504 135 HE1 PHE 19 1HE PHE 19 -6.362 6.331 -5.442 136 HE2 PHE 19 2HE PHE 19 -4.889 8.146 -9.069 137 HZ PHE 19 HZ PHE 19 -6.786 7.621 -7.536 138 H VAL 20 H VAL 20 -1.138 5.788 -3.394 139 HA VAL 20 HA VAL 20 -3.435 7.166 -2.415 140 HB VAL 20 HB VAL 20 -2.768 4.789 -1.841 141 HG11 VAL 20 1HG1 VAL 20 -1.221 4.345 -0.060 142 HG12 VAL 20 2HG1 VAL 20 -0.377 5.263 -1.313 143 HG13 VAL 20 3HG1 VAL 20 -0.899 6.067 0.179 144 HG21 VAL 20 1HG2 VAL 20 -3.634 4.821 0.426 145 HG22 VAL 20 2HG2 VAL 20 -3.302 6.564 0.560 146 HG23 VAL 20 3HG2 VAL 20 -4.524 5.974 -0.593 147 H CYS 21 H CYS 21 0.005 7.854 -1.932 148 HA CYS 21 HA CYS 21 -0.811 10.021 -0.026 149 HB2 CYS 21 1HB CYS 21 1.743 8.425 -0.229 150 HB3 CYS 21 2HB CYS 21 1.550 9.861 0.798 151 H GLY 22 H GLY 22 0.595 9.488 -3.129 152 HA2 GLY 22 1HA GLY 22 1.249 11.178 -4.623 153 HA3 GLY 22 2HA GLY 22 1.392 12.336 -3.275 154 H ASP 23 H ASP 23 3.472 12.288 -4.939 155 HA ASP 23 HA ASP 23 5.553 10.412 -4.290 156 HB2 ASP 23 1HB ASP 23 5.310 11.880 -6.373 157 HB3 ASP 23 2HB ASP 23 5.946 13.206 -5.387 158 H ARG 24 H ARG 24 4.207 12.057 -2.057 159 HA ARG 24 HA ARG 24 6.233 13.863 -1.047 160 HB2 ARG 24 1HB ARG 24 3.973 12.624 0.542 161 HB3 ARG 24 2HB ARG 24 4.782 14.168 0.820 162 HG2 ARG 24 1HG ARG 24 2.827 13.461 -1.406 163 HG3 ARG 24 2HG ARG 24 2.576 14.596 -0.080 164 HD2 ARG 24 1HD ARG 24 4.530 14.924 -2.396 165 HD3 ARG 24 2HD ARG 24 2.990 15.771 -2.196 166 HE ARG 24 HE ARG 24 4.480 16.328 0.103 167 HH11 ARG 24 1HH1 ARG 24 4.856 16.905 -3.359 168 HH12 ARG 24 2HH1 ARG 24 5.774 18.365 -3.113 169 HH21 ARG 24 1HH2 ARG 24 5.658 18.204 0.339 170 HH22 ARG 24 2HH2 ARG 24 6.211 19.089 -1.057 171 H GLY 25 H GLY 25 6.233 10.572 -1.217 172 HA2 GLY 25 1HA GLY 25 8.187 9.428 -0.440 173 HA3 GLY 25 2HA GLY 25 8.184 10.414 1.025 174 H PHE 26 H PHE 26 8.276 7.481 0.595 175 HA PHE 26 HA PHE 26 6.298 6.739 2.611 176 HB2 PHE 26 1HB PHE 26 5.356 4.894 1.257 177 HB3 PHE 26 2HB PHE 26 4.958 6.469 0.565 178 HD1 PHE 26 1HD PHE 26 6.896 3.359 0.098 179 HD2 PHE 26 2HD PHE 26 5.941 7.218 -1.552 180 HE1 PHE 26 1HE PHE 26 7.881 2.674 -2.081 181 HE2 PHE 26 2HE PHE 26 6.942 6.549 -3.718 182 HZ PHE 26 HZ PHE 26 7.917 4.286 -3.983 183 H TYR 27 H TYR 27 6.671 4.398 3.231 184 HA TYR 27 HA TYR 27 9.479 3.565 2.610 185 HB2 TYR 27 1HB TYR 27 8.094 3.581 5.324 186 HB3 TYR 27 2HB TYR 27 9.679 2.875 4.988 187 HD1 TYR 27 1HD TYR 27 11.629 4.349 4.424 188 HD2 TYR 27 2HD TYR 27 7.831 5.995 5.597 189 HE1 TYR 27 1HE TYR 27 12.720 6.544 4.890 190 HE2 TYR 27 2HE TYR 27 8.941 8.186 6.078 191 HH TYR 27 HH TYR 27 12.429 8.705 5.518 192 H PHE 28 H PHE 28 9.807 1.250 2.898 193 HA PHE 28 HA PHE 28 7.326 -0.256 2.289 194 HB2 PHE 28 1HB PHE 28 10.036 -0.331 1.396 195 HB3 PHE 28 2HB PHE 28 9.728 -1.858 2.224 196 HD1 PHE 28 1HD PHE 28 7.769 0.396 -0.118 197 HD2 PHE 28 2HD PHE 28 9.122 -3.592 0.792 198 HE1 PHE 28 1HE PHE 28 6.609 -0.459 -2.142 199 HE2 PHE 28 2HE PHE 28 7.978 -4.444 -1.252 200 HZ PHE 28 HZ PHE 28 6.719 -2.873 -2.724 201 H SER 29 H SER 29 8.751 0.698 5.006 202 HA SER 29 HA SER 29 8.069 -1.775 6.501 203 HB2 SER 29 1HB SER 29 10.584 -0.111 6.890 204 HB3 SER 29 2HB SER 29 10.054 -1.445 7.935 205 HG SER 29 HG SER 29 10.208 -2.826 6.083 206 H ARG 30 H ARG 30 7.706 -1.253 8.827 207 HA ARG 30 HA ARG 30 5.803 0.717 9.041 208 HB2 ARG 30 1HB ARG 30 7.411 -0.520 11.263 209 HB3 ARG 30 2HB ARG 30 5.941 0.413 11.513 210 HG2 ARG 30 1HG ARG 30 5.816 -1.891 9.645 211 HG3 ARG 30 2HG ARG 30 6.011 -2.221 11.368 212 HD2 ARG 30 1HD ARG 30 3.638 -2.227 10.937 213 HD3 ARG 30 2HD ARG 30 3.988 -0.733 11.817 214 HE ARG 30 HE ARG 30 3.256 -1.017 8.949 215 HH11 ARG 30 1HH1 ARG 30 3.898 1.212 11.632 216 HH12 ARG 30 2HH1 ARG 30 3.323 2.584 10.722 217 HH21 ARG 30 1HH2 ARG 30 2.535 0.790 7.899 218 HH22 ARG 30 2HH2 ARG 30 2.569 2.354 8.676 219 HA PRO 31 HA PRO 31 8.339 3.713 11.561 220 HB2 PRO 31 1HB PRO 31 11.052 3.885 11.083 221 HB3 PRO 31 2HB PRO 31 10.304 2.909 12.384 222 HG2 PRO 31 1HG PRO 31 11.233 2.012 9.647 223 HG3 PRO 31 2HG PRO 31 11.490 1.221 11.232 224 HD2 PRO 31 1HD PRO 31 9.620 0.432 9.509 225 HD3 PRO 31 2HD PRO 31 9.375 0.374 11.280 226 H ALA 32 H ALA 32 7.890 5.589 10.790 227 HA ALA 32 HA ALA 32 8.844 6.329 8.064 228 HB1 ALA 32 1HB ALA 32 6.662 7.397 7.729 229 HB2 ALA 32 2HB ALA 32 6.481 5.667 8.098 230 HB3 ALA 32 3HB ALA 32 6.155 6.885 9.353 231 H SER 33 H SER 33 9.338 7.075 11.174 232 HA SER 33 HA SER 33 8.871 9.936 11.190 233 HB2 SER 33 1HB SER 33 8.823 8.469 13.213 234 HB3 SER 33 2HB SER 33 10.577 8.251 13.062 235 HG SER 33 HG SER 33 10.798 10.512 13.301 236 H ARG 34 H ARG 34 10.296 9.597 8.933 237 HA ARG 34 HA ARG 34 12.157 10.221 7.768 238 HB2 ARG 34 1HB ARG 34 11.422 12.303 9.176 239 HB3 ARG 34 2HB ARG 34 12.951 12.048 10.019 240 HG2 ARG 34 1HG ARG 34 14.147 12.235 7.841 241 HG3 ARG 34 2HG ARG 34 12.596 12.520 7.028 242 HD2 ARG 34 1HD ARG 34 12.241 14.547 8.343 243 HD3 ARG 34 2HD ARG 34 13.715 14.236 9.275 244 HE ARG 34 HE ARG 34 13.524 15.292 6.540 245 HH11 ARG 34 1HH1 ARG 34 15.690 13.958 8.995 246 HH12 ARG 34 2HH1 ARG 34 17.107 14.647 8.247 247 HH21 ARG 34 1HH2 ARG 34 15.382 16.111 5.633 248 HH22 ARG 34 2HH2 ARG 34 16.931 15.838 6.378 249 H VAL 35 H VAL 35 12.546 7.904 9.432 250 HA VAL 35 HA VAL 35 15.498 7.999 9.600 251 HB VAL 35 HB VAL 35 15.329 6.372 11.564 252 HG11 VAL 35 1HG1 VAL 35 16.065 8.680 11.850 253 HG12 VAL 35 2HG1 VAL 35 14.377 9.207 12.068 254 HG13 VAL 35 3HG1 VAL 35 15.141 8.116 13.257 255 HG21 VAL 35 1HG2 VAL 35 13.320 6.409 12.978 256 HG22 VAL 35 2HG2 VAL 35 12.506 7.507 11.849 257 HG23 VAL 35 3HG2 VAL 35 12.887 5.843 11.353 258 H SER 36 H SER 36 16.468 6.154 8.992 259 HA SER 36 HA SER 36 14.925 3.708 8.560 260 HB2 SER 36 1HB SER 36 14.610 4.827 6.380 261 HB3 SER 36 2HB SER 36 16.362 5.109 6.262 262 HG SER 36 HG SER 36 15.359 3.155 5.194 263 H ARG 37 H ARG 37 16.247 2.034 9.070 264 HA ARG 37 HA ARG 37 19.100 2.686 9.621 265 HB2 ARG 37 1HB ARG 37 17.380 0.273 10.305 266 HB3 ARG 37 2HB ARG 37 19.095 0.431 10.706 267 HG2 ARG 37 1HG ARG 37 18.570 2.470 12.056 268 HG3 ARG 37 2HG ARG 37 16.843 2.217 11.731 269 HD2 ARG 37 1HD ARG 37 16.970 -0.013 12.795 270 HD3 ARG 37 2HD ARG 37 18.703 0.226 13.096 271 HE ARG 37 HE ARG 37 17.291 2.397 14.253 272 HH11 ARG 37 1HH1 ARG 37 17.723 -1.064 14.799 273 HH12 ARG 37 2HH1 ARG 37 17.434 -0.924 16.512 274 HH21 ARG 37 1HH2 ARG 37 16.940 2.496 16.451 275 HH22 ARG 37 2HH2 ARG 37 16.996 1.054 17.426 276 H ARG 38 H ARG 38 17.220 1.668 7.135 277 HA ARG 38 HA ARG 38 17.550 0.673 5.130 278 HB2 ARG 38 1HB ARG 38 20.511 1.050 5.673 279 HB3 ARG 38 2HB ARG 38 19.733 0.827 4.102 280 HG2 ARG 38 1HG ARG 38 18.447 2.975 4.538 281 HG3 ARG 38 2HG ARG 38 19.465 3.212 5.971 282 HD2 ARG 38 1HD ARG 38 20.443 4.483 4.210 283 HD3 ARG 38 2HD ARG 38 21.482 3.064 4.457 284 HE ARG 38 HE ARG 38 19.594 2.406 2.459 285 HH11 ARG 38 1HH1 ARG 38 22.328 4.610 2.824 286 HH12 ARG 38 2HH1 ARG 38 22.662 4.623 1.113 287 HH21 ARG 38 1HH2 ARG 38 20.087 2.466 0.294 288 HH22 ARG 38 2HH2 ARG 38 21.417 3.431 -0.290 289 H SER 39 H SER 39 17.793 -1.026 7.693 290 HA SER 39 HA SER 39 19.334 -3.340 6.845 291 HB2 SER 39 1HB SER 39 17.615 -4.215 8.783 292 HB3 SER 39 2HB SER 39 19.143 -3.372 9.133 293 HG SER 39 HG SER 39 16.512 -2.461 9.341 294 HA PRO 40 HA PRO 40 15.977 -4.905 4.388 295 HB2 PRO 40 1HB PRO 40 16.488 -7.602 4.384 296 HB3 PRO 40 2HB PRO 40 17.467 -6.435 3.437 297 HG2 PRO 40 1HG PRO 40 18.043 -7.621 6.148 298 HG3 PRO 40 2HG PRO 40 19.117 -7.496 4.720 299 HD2 PRO 40 1HD PRO 40 19.232 -5.735 6.762 300 HD3 PRO 40 2HD PRO 40 19.491 -5.222 5.059 301 H GLN 41 H GLN 41 13.935 -5.031 5.142 302 HA GLN 41 HA GLN 41 13.302 -6.802 7.443 303 HB2 GLN 41 1HB GLN 41 12.733 -3.808 7.289 304 HB3 GLN 41 2HB GLN 41 11.984 -4.907 8.452 305 HG2 GLN 41 1HG GLN 41 14.189 -5.406 9.434 306 HG3 GLN 41 2HG GLN 41 14.965 -4.345 8.253 307 HE21 GLN 41 1HE2 GLN 41 12.580 -2.512 11.056 308 HE22 GLN 41 2HE2 GLN 41 12.063 -4.012 10.326 309 H ARG 42 H ARG 42 10.917 -6.962 7.698 310 HA ARG 42 HA ARG 42 9.576 -7.008 5.068 311 HB2 ARG 42 1HB ARG 42 8.556 -7.794 7.826 312 HB3 ARG 42 2HB ARG 42 7.781 -8.147 6.278 313 HG2 ARG 42 1HG ARG 42 9.734 -9.582 5.662 314 HG3 ARG 42 2HG ARG 42 10.409 -9.276 7.275 315 HD2 ARG 42 1HD ARG 42 9.309 -11.306 7.589 316 HD3 ARG 42 2HD ARG 42 8.117 -10.130 8.167 317 HE ARG 42 HE ARG 42 7.762 -10.756 5.362 318 HH11 ARG 42 1HH1 ARG 42 7.008 -11.920 8.603 319 HH12 ARG 42 2HH1 ARG 42 5.684 -12.902 8.043 320 HH21 ARG 42 1HH2 ARG 42 6.027 -12.019 4.724 321 HH22 ARG 42 2HH2 ARG 42 5.129 -12.934 5.903 322 H GLY 43 H GLY 43 6.909 -6.404 5.966 323 HA2 GLY 43 1HA GLY 43 6.308 -4.248 7.407 324 HA3 GLY 43 2HA GLY 43 7.186 -3.480 6.081 325 H ILE 44 H ILE 44 6.000 -2.753 4.458 326 HA ILE 44 HA ILE 44 3.224 -2.832 4.393 327 HB ILE 44 HB ILE 44 4.640 -1.205 3.129 328 HG12 ILE 44 1HG1 ILE 44 3.454 -1.311 0.871 329 HG13 ILE 44 2HG1 ILE 44 2.676 -2.782 1.428 330 HG21 ILE 44 1HG2 ILE 44 5.697 -1.808 0.989 331 HG22 ILE 44 2HG2 ILE 44 6.370 -2.809 2.286 332 HG23 ILE 44 3HG2 ILE 44 5.181 -3.499 1.162 333 HD11 ILE 44 1HD1 ILE 44 1.282 -0.812 1.629 334 HD12 ILE 44 2HD1 ILE 44 1.578 -1.565 3.210 335 HD13 ILE 44 3HD1 ILE 44 2.447 -0.078 2.741 336 H VAL 45 H VAL 45 5.433 -5.129 2.892 337 HA VAL 45 HA VAL 45 3.491 -6.314 1.202 338 HB VAL 45 HB VAL 45 5.111 -8.107 0.892 339 HG11 VAL 45 1HG1 VAL 45 5.437 -5.927 -0.231 340 HG12 VAL 45 2HG1 VAL 45 6.559 -5.457 1.069 341 HG13 VAL 45 3HG1 VAL 45 6.944 -6.831 0.011 342 HG21 VAL 45 1HG2 VAL 45 5.853 -8.466 3.188 343 HG22 VAL 45 2HG2 VAL 45 7.252 -8.160 2.137 344 HG23 VAL 45 3HG2 VAL 45 6.647 -6.871 3.205 345 H GLU 46 H GLU 46 4.147 -6.733 4.648 346 HA GLU 46 HA GLU 46 3.244 -9.463 4.804 347 HB2 GLU 46 1HB GLU 46 3.340 -7.281 6.911 348 HB3 GLU 46 2HB GLU 46 3.034 -8.997 7.231 349 HG2 GLU 46 1HG GLU 46 5.228 -9.534 6.228 350 HG3 GLU 46 2HG GLU 46 5.540 -7.805 6.025 351 H GLU 47 H GLU 47 1.629 -6.312 4.976 352 HA GLU 47 HA GLU 47 -0.936 -7.679 5.523 353 HB2 GLU 47 1HB GLU 47 -0.177 -4.764 5.212 354 HB3 GLU 47 2HB GLU 47 -1.840 -5.335 5.387 355 HG2 GLU 47 1HG GLU 47 -1.280 -4.747 7.556 356 HG3 GLU 47 2HG GLU 47 -1.045 -6.495 7.541 357 H CYS 48 H CYS 48 0.694 -5.929 2.838 358 HA CYS 48 HA CYS 48 -1.816 -6.175 1.301 359 HB2 CYS 48 1HB CYS 48 0.763 -4.724 0.677 360 HB3 CYS 48 2HB CYS 48 -0.730 -4.638 -0.268 361 H CYS 49 H CYS 49 1.149 -7.950 1.381 362 HA CYS 49 HA CYS 49 0.552 -8.992 -1.372 363 HB2 CYS 49 1HB CYS 49 2.658 -7.796 -1.335 364 HB3 CYS 49 2HB CYS 49 3.198 -8.714 0.070 365 H PHE 50 H PHE 50 1.842 -9.907 1.865 366 HA PHE 50 HA PHE 50 1.503 -12.771 1.300 367 HB2 PHE 50 1HB PHE 50 2.122 -11.168 3.806 368 HB3 PHE 50 2HB PHE 50 1.861 -12.913 3.835 369 HD1 PHE 50 1HD PHE 50 3.434 -14.465 2.764 370 HD2 PHE 50 2HD PHE 50 4.194 -10.237 2.851 371 HE1 PHE 50 1HE PHE 50 5.816 -14.883 2.165 372 HE2 PHE 50 2HE PHE 50 6.575 -10.640 2.246 373 HZ PHE 50 HZ PHE 50 7.392 -12.970 1.903 374 H ARG 51 H ARG 51 -0.406 -10.126 2.265 375 HA ARG 51 HA ARG 51 -2.791 -11.889 2.600 376 HB2 ARG 51 1HB ARG 51 -1.903 -9.676 4.500 377 HB3 ARG 51 2HB ARG 51 -3.576 -10.227 4.404 378 HG2 ARG 51 1HG ARG 51 -2.955 -12.456 5.122 379 HG3 ARG 51 2HG ARG 51 -1.234 -12.027 5.108 380 HD2 ARG 51 1HD ARG 51 -3.294 -10.621 6.839 381 HD3 ARG 51 2HD ARG 51 -2.317 -12.005 7.384 382 HE ARG 51 HE ARG 51 -0.554 -10.077 6.285 383 HH11 ARG 51 1HH1 ARG 51 -2.674 -10.333 9.111 384 HH12 ARG 51 2HH1 ARG 51 -1.674 -9.260 10.054 385 HH21 ARG 51 1HH2 ARG 51 0.639 -8.747 7.539 386 HH22 ARG 51 2HH2 ARG 51 0.177 -8.364 9.169 387 H SER 52 H SER 52 -4.702 -9.948 2.664 388 HA SER 52 HA SER 52 -3.961 -8.029 0.491 389 HB2 SER 52 1HB SER 52 -6.435 -7.916 0.088 390 HB3 SER 52 2HB SER 52 -5.745 -9.521 -0.237 391 HG SER 52 HG SER 52 -7.689 -9.591 1.007 392 H CYS 53 H CYS 53 -4.798 -5.824 0.848 393 HA CYS 53 HA CYS 53 -5.380 -5.247 3.709 394 HB2 CYS 53 1HB CYS 53 -3.640 -3.607 3.819 395 HB3 CYS 53 2HB CYS 53 -2.917 -5.108 3.242 396 H ASP 54 H ASP 54 -5.996 -3.001 4.107 397 HA ASP 54 HA ASP 54 -7.778 -1.993 1.982 398 HB2 ASP 54 1HB ASP 54 -7.569 -1.858 4.885 399 HB3 ASP 54 2HB ASP 54 -7.706 -0.238 4.201 400 H LEU 55 H LEU 55 -7.600 0.162 1.180 401 HA LEU 55 HA LEU 55 -4.916 1.145 0.770 402 HB2 LEU 55 1HB LEU 55 -5.948 3.072 -0.241 403 HB3 LEU 55 2HB LEU 55 -6.715 1.597 -0.803 404 HG LEU 55 HG LEU 55 -8.410 2.348 1.230 405 HD11 LEU 55 1HD1 LEU 55 -7.469 4.899 -0.159 406 HD12 LEU 55 2HD1 LEU 55 -7.185 4.493 1.550 407 HD13 LEU 55 3HD1 LEU 55 -8.841 4.754 0.966 408 HD21 LEU 55 1HD2 LEU 55 -9.893 3.109 -0.586 409 HD22 LEU 55 2HD2 LEU 55 -9.041 1.615 -1.025 410 HD23 LEU 55 3HD2 LEU 55 -8.504 3.175 -1.697 411 H ALA 56 H ALA 56 -7.353 1.685 3.200 412 HA ALA 56 HA ALA 56 -6.267 4.069 4.367 413 HB1 ALA 56 1HB ALA 56 -7.911 1.804 5.594 414 HB2 ALA 56 2HB ALA 56 -7.644 3.407 6.326 415 HB3 ALA 56 3HB ALA 56 -8.561 3.267 4.808 416 H LEU 57 H LEU 57 -5.775 0.583 5.013 417 HA LEU 57 HA LEU 57 -3.963 0.961 7.215 418 HB2 LEU 57 1HB LEU 57 -5.181 -1.150 6.732 419 HB3 LEU 57 2HB LEU 57 -4.256 -1.354 5.243 420 HG LEU 57 HG LEU 57 -2.730 -1.041 7.782 421 HD11 LEU 57 1HD1 LEU 57 -3.004 -3.421 8.335 422 HD12 LEU 57 2HD1 LEU 57 -4.171 -3.603 7.004 423 HD13 LEU 57 3HD1 LEU 57 -4.559 -2.569 8.403 424 HD21 LEU 57 1HD2 LEU 57 -1.223 -2.668 6.754 425 HD22 LEU 57 2HD2 LEU 57 -1.531 -1.345 5.632 426 HD23 LEU 57 3HD2 LEU 57 -2.355 -2.895 5.404 427 H LEU 58 H LEU 58 -3.629 0.425 3.740 428 HA LEU 58 HA LEU 58 -0.845 0.203 3.551 429 HB2 LEU 58 1HB LEU 58 -2.755 -0.107 1.870 430 HB3 LEU 58 2HB LEU 58 -2.673 1.617 1.599 431 HG LEU 58 HG LEU 58 -0.581 -0.442 0.913 432 HD11 LEU 58 1HD1 LEU 58 -2.316 1.402 -0.687 433 HD12 LEU 58 2HD1 LEU 58 -2.564 -0.355 -0.463 434 HD13 LEU 58 3HD1 LEU 58 -1.121 0.234 -1.322 435 HD21 LEU 58 1HD2 LEU 58 -0.526 2.561 0.688 436 HD22 LEU 58 2HD2 LEU 58 0.460 1.502 -0.334 437 HD23 LEU 58 3HD2 LEU 58 0.678 1.490 1.421 438 H GLU 59 H GLU 59 -2.897 3.123 3.500 439 HA GLU 59 HA GLU 59 -0.958 5.024 2.843 440 HB2 GLU 59 1HB GLU 59 -3.397 5.421 2.974 441 HB3 GLU 59 2HB GLU 59 -3.330 5.318 4.736 442 HG2 GLU 59 1HG GLU 59 -1.967 7.343 4.849 443 HG3 GLU 59 2HG GLU 59 -1.885 7.410 3.086 444 H THR 60 H THR 60 -1.362 3.364 5.929 445 HA THR 60 HA THR 60 -0.045 5.311 7.555 446 HB THR 60 HB THR 60 0.149 3.596 9.245 447 HG1 THR 60 1HG THR 60 -0.699 1.691 7.297 448 HG21 THR 60 1HG2 THR 60 -2.134 4.502 8.759 449 HG22 THR 60 2HG2 THR 60 -2.172 2.838 9.384 450 HG23 THR 60 3HG2 THR 60 -2.420 3.140 7.651 451 H TYR 61 H TYR 61 1.285 3.205 5.176 452 HA TYR 61 HA TYR 61 3.951 3.089 6.450 453 HB2 TYR 61 1HB TYR 61 2.741 2.066 3.885 454 HB3 TYR 61 2HB TYR 61 4.489 2.108 4.111 455 HD1 TYR 61 1HD TYR 61 1.349 0.486 5.254 456 HD2 TYR 61 2HD TYR 61 5.620 0.720 5.745 457 HE1 TYR 61 1HE TYR 61 1.328 -1.663 6.550 458 HE2 TYR 61 2HE TYR 61 5.576 -1.404 7.044 459 HH TYR 61 HH TYR 61 2.686 -3.355 7.519 460 H CYS 62 H CYS 62 2.279 5.515 4.875 461 HA CYS 62 HA CYS 62 4.422 6.451 3.151 462 HB2 CYS 62 1HB CYS 62 1.966 7.841 4.227 463 HB3 CYS 62 2HB CYS 62 3.053 8.497 2.989 464 H ALA 63 H ALA 63 5.494 8.558 3.394 465 HA ALA 63 HA ALA 63 6.670 8.828 6.054 466 HB1 ALA 63 1HB ALA 63 6.939 10.589 3.569 467 HB2 ALA 63 2HB ALA 63 7.985 10.630 5.008 468 HB3 ALA 63 3HB ALA 63 7.978 9.194 3.958 469 H THR 64 H THR 64 4.070 10.261 4.224 470 HA THR 64 HA THR 64 3.814 12.566 6.025 471 HB THR 64 HB THR 64 1.654 12.871 4.639 472 HG1 THR 64 1HG THR 64 1.614 10.684 3.877 473 HG21 THR 64 1HG2 THR 64 3.747 14.117 4.252 474 HG22 THR 64 2HG2 THR 64 2.873 13.772 2.741 475 HG23 THR 64 3HG2 THR 64 4.312 12.815 3.172 476 HA PRO 65 HA PRO 65 0.968 10.490 8.657 477 HB2 PRO 65 1HB PRO 65 -0.481 12.521 9.713 478 HB3 PRO 65 2HB PRO 65 1.278 12.385 10.015 479 HG2 PRO 65 1HG PRO 65 -0.173 14.047 7.978 480 HG3 PRO 65 2HG PRO 65 1.072 14.547 9.157 481 HD2 PRO 65 1HD PRO 65 1.649 13.953 6.564 482 HD3 PRO 65 2HD PRO 65 2.810 13.626 7.890 483 H ALA 66 H ALA 66 -1.503 10.501 9.215 484 HA ALA 66 HA ALA 66 -2.978 9.872 6.847 485 HB1 ALA 66 1HB ALA 66 -3.509 8.905 9.077 486 HB2 ALA 66 2HB ALA 66 -3.989 10.519 9.661 487 HB3 ALA 66 3HB ALA 66 -4.924 9.719 8.374 488 H LYS 67 H LYS 67 -4.300 11.093 5.599 489 HA LYS 67 HA LYS 67 -4.097 14.025 5.978 490 HB2 LYS 67 1HB LYS 67 -5.111 12.325 3.671 491 HB3 LYS 67 2HB LYS 67 -4.964 14.090 3.641 492 HG2 LYS 67 1HG LYS 67 -2.524 13.907 4.001 493 HG3 LYS 67 2HG LYS 67 -2.646 12.143 4.033 494 HD2 LYS 67 1HD LYS 67 -3.551 13.778 1.643 495 HD3 LYS 67 2HD LYS 67 -1.879 13.221 1.843 496 HE2 LYS 67 1HE LYS 67 -2.701 10.870 2.018 497 HE3 LYS 67 2HE LYS 67 -4.353 11.445 1.709 498 HZ1 LYS 67 1HZ LYS 67 -2.088 11.858 -0.156 499 HZ2 LYS 67 2HZ LYS 67 -3.678 12.180 -0.452 500 HZ3 LYS 67 3HZ LYS 67 -3.164 10.616 -0.287 501 H SER 68 H SER 68 -5.837 12.503 7.740 502 HA SER 68 HA SER 68 -8.578 12.921 6.821 503 HB2 SER 68 1HB SER 68 -7.519 12.102 9.551 504 HB3 SER 68 2HB SER 68 -9.186 11.923 8.955 505 HG SER 68 HG SER 68 -8.064 9.982 8.697 506 H GLU 69 H GLU 69 -8.136 15.317 6.518 507 HA GLU 69 HA GLU 69 -8.037 16.973 8.921 508 HB2 GLU 69 1HB GLU 69 -8.794 17.675 6.036 509 HB3 GLU 69 2HB GLU 69 -8.637 18.856 7.334 510 HG2 GLU 69 1HG GLU 69 -6.391 17.030 6.307 511 HG3 GLU 69 2HG GLU 69 -6.553 18.755 5.984 Start of MODEL 7 1 HA ALA 1 HA ALA 1 -15.890 -13.876 -8.999 2 HB1 ALA 1 1HB ALA 1 -14.386 -13.743 -10.973 3 HB2 ALA 1 2HB ALA 1 -16.065 -13.965 -11.499 4 HB3 ALA 1 3HB ALA 1 -15.305 -12.365 -11.602 5 H TYR 2 H TYR 2 -13.703 -13.617 -8.487 6 HA TYR 2 HA TYR 2 -13.165 -10.997 -7.206 7 HB2 TYR 2 1HB TYR 2 -11.250 -12.335 -6.178 8 HB3 TYR 2 2HB TYR 2 -12.883 -12.828 -5.724 9 HD1 TYR 2 1HD TYR 2 -13.729 -15.027 -6.230 10 HD2 TYR 2 2HD TYR 2 -9.947 -13.756 -7.848 11 HE1 TYR 2 1HE TYR 2 -13.257 -17.360 -6.979 12 HE2 TYR 2 2HE TYR 2 -9.487 -16.092 -8.592 13 HH TYR 2 HH TYR 2 -11.787 -18.761 -8.017 14 H ARG 3 H ARG 3 -10.974 -10.090 -7.351 15 HA ARG 3 HA ARG 3 -10.086 -9.866 -10.092 16 HB2 ARG 3 1HB ARG 3 -9.812 -8.491 -7.656 17 HB3 ARG 3 2HB ARG 3 -8.196 -9.104 -7.990 18 HG2 ARG 3 1HG ARG 3 -8.424 -7.997 -10.269 19 HG3 ARG 3 2HG ARG 3 -9.844 -7.166 -9.579 20 HD2 ARG 3 1HD ARG 3 -8.463 -6.349 -7.714 21 HD3 ARG 3 2HD ARG 3 -7.085 -7.257 -8.333 22 HE ARG 3 HE ARG 3 -8.151 -5.256 -10.170 23 HH11 ARG 3 1HH1 ARG 3 -5.728 -5.961 -7.678 24 HH12 ARG 3 2HH1 ARG 3 -4.743 -4.594 -8.135 25 HH21 ARG 3 1HH2 ARG 3 -6.816 -3.543 -10.692 26 HH22 ARG 3 2HH2 ARG 3 -5.338 -3.273 -9.813 27 HA PRO 4 HA PRO 4 -7.114 -13.256 -9.972 28 HB2 PRO 4 1HB PRO 4 -5.351 -11.383 -11.538 29 HB3 PRO 4 2HB PRO 4 -5.841 -13.061 -11.928 30 HG2 PRO 4 1HG PRO 4 -6.891 -11.019 -13.250 31 HG3 PRO 4 2HG PRO 4 -7.927 -12.382 -12.718 32 HD2 PRO 4 1HD PRO 4 -7.589 -9.660 -11.432 33 HD3 PRO 4 2HD PRO 4 -9.088 -10.583 -11.791 34 H SER 5 H SER 5 -6.196 -9.888 -9.352 35 HA SER 5 HA SER 5 -4.144 -10.805 -7.392 36 HB2 SER 5 1HB SER 5 -4.002 -8.333 -9.148 37 HB3 SER 5 2HB SER 5 -2.771 -8.904 -8.001 38 HG SER 5 HG SER 5 -2.084 -9.711 -9.875 39 H GLU 6 H GLU 6 -5.877 -10.616 -5.789 40 HA GLU 6 HA GLU 6 -7.013 -7.967 -5.242 41 HB2 GLU 6 1HB GLU 6 -6.868 -10.464 -3.515 42 HB3 GLU 6 2HB GLU 6 -7.879 -9.051 -3.197 43 HG2 GLU 6 1HG GLU 6 -8.121 -10.687 -5.727 44 HG3 GLU 6 2HG GLU 6 -8.970 -11.122 -4.239 45 H THR 7 H THR 7 -4.054 -9.422 -4.868 46 HA THR 7 HA THR 7 -3.290 -7.713 -2.545 47 HB THR 7 HB THR 7 -1.370 -9.309 -2.291 48 HG1 THR 7 1HG THR 7 -1.465 -11.241 -3.482 49 HG21 THR 7 1HG2 THR 7 -4.029 -10.780 -2.316 50 HG22 THR 7 2HG2 THR 7 -3.537 -9.635 -1.046 51 HG23 THR 7 3HG2 THR 7 -2.607 -11.123 -1.304 52 H LEU 8 H LEU 8 -1.024 -6.972 -2.643 53 HA LEU 8 HA LEU 8 -0.128 -6.309 -5.435 54 HB2 LEU 8 1HB LEU 8 -0.305 -4.656 -2.900 55 HB3 LEU 8 2HB LEU 8 0.877 -4.317 -4.121 56 HG LEU 8 HG LEU 8 -0.623 -2.705 -4.474 57 HD11 LEU 8 1HD1 LEU 8 -1.769 -3.142 -6.574 58 HD12 LEU 8 2HD1 LEU 8 -1.517 -4.896 -6.355 59 HD13 LEU 8 3HD1 LEU 8 -0.131 -3.799 -6.542 60 HD21 LEU 8 1HD2 LEU 8 -2.911 -4.634 -4.214 61 HD22 LEU 8 2HD2 LEU 8 -2.992 -2.869 -4.481 62 HD23 LEU 8 3HD2 LEU 8 -2.330 -3.504 -2.965 63 H CYS 9 H CYS 9 1.846 -7.212 -5.773 64 HA CYS 9 HA CYS 9 3.652 -7.370 -3.377 65 HB2 CYS 9 1HB CYS 9 2.378 -9.539 -4.277 66 HB3 CYS 9 2HB CYS 9 3.772 -9.579 -5.368 67 H GLY 10 H GLY 10 3.462 -7.202 -6.919 68 HA2 GLY 10 1HA GLY 10 6.405 -7.018 -7.115 69 HA3 GLY 10 2HA GLY 10 5.240 -6.990 -8.446 70 H GLY 11 H GLY 11 6.159 -5.197 -9.477 71 HA2 GLY 11 1HA GLY 11 6.720 -2.713 -8.161 72 HA3 GLY 11 2HA GLY 11 6.463 -2.944 -9.904 73 H GLU 12 H GLU 12 3.836 -4.256 -9.116 74 HA GLU 12 HA GLU 12 1.995 -2.126 -9.421 75 HB2 GLU 12 1HB GLU 12 0.362 -3.898 -8.795 76 HB3 GLU 12 2HB GLU 12 1.572 -4.483 -9.949 77 HG2 GLU 12 1HG GLU 12 2.882 -5.367 -7.940 78 HG3 GLU 12 2HG GLU 12 1.469 -5.046 -6.962 79 H LEU 13 H LEU 13 3.526 -3.504 -6.496 80 HA LEU 13 HA LEU 13 1.617 -2.292 -4.656 81 HB2 LEU 13 1HB LEU 13 3.024 -4.255 -4.066 82 HB3 LEU 13 2HB LEU 13 4.472 -3.288 -4.253 83 HG LEU 13 HG LEU 13 4.076 -2.076 -2.269 84 HD11 LEU 13 1HD1 LEU 13 2.112 -2.223 -0.858 85 HD12 LEU 13 2HD1 LEU 13 1.332 -3.330 -2.000 86 HD13 LEU 13 3HD1 LEU 13 1.642 -1.638 -2.456 87 HD21 LEU 13 1HD2 LEU 13 3.268 -4.937 -1.829 88 HD22 LEU 13 2HD2 LEU 13 3.890 -3.818 -0.592 89 HD23 LEU 13 3HD2 LEU 13 4.924 -4.300 -1.961 90 H VAL 14 H VAL 14 4.772 -1.492 -6.042 91 HA VAL 14 HA VAL 14 5.219 0.895 -4.529 92 HB VAL 14 HB VAL 14 6.195 0.220 -7.350 93 HG11 VAL 14 1HG1 VAL 14 8.039 1.787 -6.826 94 HG12 VAL 14 2HG1 VAL 14 6.459 2.598 -6.820 95 HG13 VAL 14 3HG1 VAL 14 7.251 2.180 -5.280 96 HG21 VAL 14 1HG2 VAL 14 6.849 -1.552 -5.776 97 HG22 VAL 14 2HG2 VAL 14 8.264 -0.579 -6.221 98 HG23 VAL 14 3HG2 VAL 14 7.483 -0.334 -4.643 99 H ASP 15 H ASP 15 3.567 0.181 -7.608 100 HA ASP 15 HA ASP 15 2.996 2.880 -8.310 101 HB2 ASP 15 1HB ASP 15 2.740 0.776 -9.731 102 HB3 ASP 15 2HB ASP 15 1.221 0.490 -8.868 103 H THR 16 H THR 16 1.121 0.481 -6.389 104 HA THR 16 HA THR 16 -1.071 2.199 -5.837 105 HB THR 16 HB THR 16 0.069 0.038 -3.990 106 HG1 THR 16 1HG THR 16 -0.272 -0.781 -6.106 107 HG21 THR 16 1HG2 THR 16 -2.225 -0.209 -3.288 108 HG22 THR 16 2HG2 THR 16 -2.761 1.034 -4.445 109 HG23 THR 16 3HG2 THR 16 -1.728 1.482 -3.066 110 H LEU 17 H LEU 17 2.034 1.747 -4.107 111 HA LEU 17 HA LEU 17 1.388 3.417 -1.866 112 HB2 LEU 17 1HB LEU 17 3.949 2.511 -3.178 113 HB3 LEU 17 2HB LEU 17 3.977 3.661 -1.851 114 HG LEU 17 HG LEU 17 2.399 1.185 -1.379 115 HD11 LEU 17 1HD1 LEU 17 5.407 1.181 -1.437 116 HD12 LEU 17 2HD1 LEU 17 4.316 0.290 -2.521 117 HD13 LEU 17 3HD1 LEU 17 4.352 -0.105 -0.803 118 HD21 LEU 17 1HD2 LEU 17 2.741 3.024 0.304 119 HD22 LEU 17 2HD2 LEU 17 4.479 2.644 0.300 120 HD23 LEU 17 3HD2 LEU 17 3.303 1.433 0.854 121 H GLN 18 H GLN 18 2.778 4.134 -5.079 122 HA GLN 18 HA GLN 18 3.284 6.929 -4.514 123 HB2 GLN 18 1HB GLN 18 2.804 5.399 -7.093 124 HB3 GLN 18 2HB GLN 18 3.200 7.119 -7.048 125 HG2 GLN 18 1HG GLN 18 5.346 6.639 -5.984 126 HG3 GLN 18 2HG GLN 18 4.969 4.917 -5.939 127 HE21 GLN 18 1HE2 GLN 18 5.122 4.787 -9.651 128 HE22 GLN 18 2HE2 GLN 18 3.875 4.515 -8.463 129 H PHE 19 H PHE 19 0.507 5.107 -5.875 130 HA PHE 19 HA PHE 19 -1.024 7.417 -6.552 131 HB2 PHE 19 1HB PHE 19 -1.442 5.153 -7.425 132 HB3 PHE 19 2HB PHE 19 -1.919 4.607 -5.814 133 HD1 PHE 19 1HD PHE 19 -2.880 6.811 -8.653 134 HD2 PHE 19 2HD PHE 19 -4.111 5.021 -4.940 135 HE1 PHE 19 1HE PHE 19 -5.227 7.518 -9.097 136 HE2 PHE 19 2HE PHE 19 -6.463 5.714 -5.376 137 HZ PHE 19 HZ PHE 19 -7.026 6.974 -7.453 138 H VAL 20 H VAL 20 -1.115 5.375 -3.576 139 HA VAL 20 HA VAL 20 -3.358 6.802 -2.513 140 HB VAL 20 HB VAL 20 -2.715 4.446 -1.931 141 HG11 VAL 20 1HG1 VAL 20 -0.682 5.659 -0.039 142 HG12 VAL 20 2HG1 VAL 20 -1.040 3.951 -0.331 143 HG13 VAL 20 3HG1 VAL 20 -0.271 4.909 -1.595 144 HG21 VAL 20 1HG2 VAL 20 -3.006 6.270 0.488 145 HG22 VAL 20 2HG2 VAL 20 -4.335 5.708 -0.552 146 HG23 VAL 20 3HG2 VAL 20 -3.404 4.539 0.412 147 H CYS 21 H CYS 21 0.117 7.447 -2.273 148 HA CYS 21 HA CYS 21 -0.567 9.599 -0.325 149 HB2 CYS 21 1HB CYS 21 1.795 7.763 -0.465 150 HB3 CYS 21 2HB CYS 21 1.864 9.304 0.414 151 H GLY 22 H GLY 22 0.961 9.138 -3.423 152 HA2 GLY 22 1HA GLY 22 1.897 10.640 -4.824 153 HA3 GLY 22 2HA GLY 22 1.037 11.873 -3.891 154 H ASP 23 H ASP 23 2.309 13.352 -3.684 155 HA ASP 23 HA ASP 23 5.116 13.365 -3.530 156 HB2 ASP 23 1HB ASP 23 3.146 15.416 -2.465 157 HB3 ASP 23 2HB ASP 23 4.855 15.712 -2.819 158 H ARG 24 H ARG 24 2.884 12.605 -0.965 159 HA ARG 24 HA ARG 24 4.440 13.536 1.248 160 HB2 ARG 24 1HB ARG 24 2.504 11.220 0.956 161 HB3 ARG 24 2HB ARG 24 3.172 11.768 2.494 162 HG2 ARG 24 1HG ARG 24 2.220 14.023 2.055 163 HG3 ARG 24 2HG ARG 24 1.415 13.374 0.611 164 HD2 ARG 24 1HD ARG 24 1.110 12.148 3.339 165 HD3 ARG 24 2HD ARG 24 0.100 13.491 2.792 166 HE ARG 24 HE ARG 24 -0.115 11.588 0.782 167 HH11 ARG 24 1HH1 ARG 24 -0.767 11.625 4.249 168 HH12 ARG 24 2HH1 ARG 24 -2.118 10.501 4.097 169 HH21 ARG 24 1HH2 ARG 24 -1.896 10.131 0.710 170 HH22 ARG 24 2HH2 ARG 24 -2.712 9.713 2.201 171 H GLY 25 H GLY 25 4.872 10.809 -0.900 172 HA2 GLY 25 1HA GLY 25 6.714 9.398 -1.025 173 HA3 GLY 25 2HA GLY 25 7.409 10.198 0.396 174 H PHE 26 H PHE 26 7.705 7.482 0.224 175 HA PHE 26 HA PHE 26 6.142 6.566 2.519 176 HB2 PHE 26 1HB PHE 26 5.309 4.543 1.343 177 HB3 PHE 26 2HB PHE 26 4.589 6.035 0.737 178 HD1 PHE 26 1HD PHE 26 7.003 3.316 -0.051 179 HD2 PHE 26 2HD PHE 26 4.954 6.805 -1.512 180 HE1 PHE 26 1HE PHE 26 7.698 2.752 -2.370 181 HE2 PHE 26 2HE PHE 26 5.660 6.261 -3.814 182 HZ PHE 26 HZ PHE 26 7.019 4.230 -4.255 183 H TYR 27 H TYR 27 6.717 4.339 3.185 184 HA TYR 27 HA TYR 27 9.464 3.559 2.280 185 HB2 TYR 27 1HB TYR 27 8.368 3.628 5.123 186 HB3 TYR 27 2HB TYR 27 9.890 2.872 4.644 187 HD1 TYR 27 1HD TYR 27 8.250 6.005 5.520 188 HD2 TYR 27 2HD TYR 27 11.775 4.301 3.734 189 HE1 TYR 27 1HE TYR 27 9.478 8.151 5.866 190 HE2 TYR 27 2HE TYR 27 12.973 6.463 4.054 191 HH TYR 27 HH TYR 27 11.429 9.284 5.598 192 H PHE 28 H PHE 28 9.863 1.258 2.566 193 HA PHE 28 HA PHE 28 7.385 -0.356 2.358 194 HB2 PHE 28 1HB PHE 28 10.253 -0.671 1.638 195 HB3 PHE 28 2HB PHE 28 9.466 -2.131 2.241 196 HD1 PHE 28 1HD PHE 28 8.822 -3.560 0.538 197 HD2 PHE 28 2HD PHE 28 8.349 0.683 -0.044 198 HE1 PHE 28 1HE PHE 28 7.777 -3.982 -1.682 199 HE2 PHE 28 2HE PHE 28 7.323 0.263 -2.268 200 HZ PHE 28 HZ PHE 28 7.017 -2.073 -3.083 201 H SER 29 H SER 29 9.647 0.692 4.690 202 HA SER 29 HA SER 29 9.281 -1.619 6.496 203 HB2 SER 29 1HB SER 29 10.722 -0.218 8.010 204 HB3 SER 29 2HB SER 29 11.485 -0.583 6.449 205 HG SER 29 HG SER 29 10.134 1.846 7.122 206 H ARG 30 H ARG 30 8.158 -1.432 8.479 207 HA ARG 30 HA ARG 30 5.841 0.105 8.405 208 HB2 ARG 30 1HB ARG 30 7.004 -1.064 10.915 209 HB3 ARG 30 2HB ARG 30 5.316 -0.666 10.604 210 HG2 ARG 30 1HG ARG 30 5.327 -2.363 8.784 211 HG3 ARG 30 2HG ARG 30 6.976 -2.808 9.244 212 HD2 ARG 30 1HD ARG 30 6.210 -3.489 11.439 213 HD3 ARG 30 2HD ARG 30 4.567 -2.930 11.071 214 HE ARG 30 HE ARG 30 5.940 -5.279 9.842 215 HH11 ARG 30 1HH1 ARG 30 2.922 -3.486 10.329 216 HH12 ARG 30 2HH1 ARG 30 1.978 -4.770 9.603 217 HH21 ARG 30 1HH2 ARG 30 4.631 -6.853 8.991 218 HH22 ARG 30 2HH2 ARG 30 2.888 -6.580 8.895 219 HA PRO 31 HA PRO 31 7.407 3.391 11.275 220 HB2 PRO 31 1HB PRO 31 10.056 3.621 11.878 221 HB3 PRO 31 2HB PRO 31 8.962 2.545 12.806 222 HG2 PRO 31 1HG PRO 31 10.848 1.839 10.547 223 HG3 PRO 31 2HG PRO 31 10.649 1.034 12.134 224 HD2 PRO 31 1HD PRO 31 9.434 0.137 9.854 225 HD3 PRO 31 2HD PRO 31 8.693 -0.027 11.471 226 H ALA 32 H ALA 32 7.707 5.416 10.430 227 HA ALA 32 HA ALA 32 8.864 5.724 7.779 228 HB1 ALA 32 1HB ALA 32 7.892 7.788 9.806 229 HB2 ALA 32 2HB ALA 32 8.274 8.111 8.101 230 HB3 ALA 32 3HB ALA 32 6.906 7.051 8.514 231 H SER 33 H SER 33 10.093 5.566 10.904 232 HA SER 33 HA SER 33 12.154 7.531 10.855 233 HB2 SER 33 1HB SER 33 12.120 4.867 12.317 234 HB3 SER 33 2HB SER 33 13.025 6.331 12.767 235 HG SER 33 HG SER 33 11.143 6.244 13.983 236 H ARG 34 H ARG 34 13.449 7.572 9.123 237 HA ARG 34 HA ARG 34 14.419 5.243 7.748 238 HB2 ARG 34 1HB ARG 34 13.928 7.662 6.964 239 HB3 ARG 34 2HB ARG 34 15.550 8.046 7.536 240 HG2 ARG 34 1HG ARG 34 16.489 6.394 5.943 241 HG3 ARG 34 2HG ARG 34 14.845 5.980 5.412 242 HD2 ARG 34 1HD ARG 34 14.504 8.386 4.784 243 HD3 ARG 34 2HD ARG 34 16.198 8.701 5.183 244 HE ARG 34 HE ARG 34 15.132 7.306 2.828 245 HH11 ARG 34 1HH1 ARG 34 18.047 8.021 4.696 246 HH12 ARG 34 2HH1 ARG 34 19.100 7.680 3.350 247 HH21 ARG 34 1HH2 ARG 34 16.540 6.881 1.167 248 HH22 ARG 34 2HH2 ARG 34 18.259 7.040 1.393 249 H VAL 35 H VAL 35 15.212 4.741 10.294 250 HA VAL 35 HA VAL 35 18.190 5.129 10.229 251 HB VAL 35 HB VAL 35 18.140 5.056 12.720 252 HG11 VAL 35 1HG1 VAL 35 16.366 7.206 11.524 253 HG12 VAL 35 2HG1 VAL 35 17.299 7.320 13.038 254 HG13 VAL 35 3HG1 VAL 35 18.142 7.185 11.477 255 HG21 VAL 35 1HG2 VAL 35 15.094 5.236 12.409 256 HG22 VAL 35 2HG2 VAL 35 15.982 3.821 13.017 257 HG23 VAL 35 3HG2 VAL 35 15.999 5.339 13.933 258 H SER 36 H SER 36 16.349 3.182 9.137 259 HA SER 36 HA SER 36 16.372 0.756 10.646 260 HB2 SER 36 1HB SER 36 16.100 1.063 7.640 261 HB3 SER 36 2HB SER 36 15.420 -0.219 8.674 262 HG SER 36 HG SER 36 13.896 1.461 8.133 263 H ARG 37 H ARG 37 19.039 1.480 10.762 264 HA ARG 37 HA ARG 37 20.588 -0.011 8.764 265 HB2 ARG 37 1HB ARG 37 22.517 0.582 10.156 266 HB3 ARG 37 2HB ARG 37 21.525 1.989 9.784 267 HG2 ARG 37 1HG ARG 37 20.617 2.055 12.032 268 HG3 ARG 37 2HG ARG 37 21.375 0.500 12.433 269 HD2 ARG 37 1HD ARG 37 23.612 1.514 12.040 270 HD3 ARG 37 2HD ARG 37 22.827 3.081 11.754 271 HE ARG 37 HE ARG 37 21.936 2.127 14.258 272 HH11 ARG 37 1HH1 ARG 37 24.992 3.196 12.844 273 HH12 ARG 37 2HH1 ARG 37 25.621 3.732 14.377 274 HH21 ARG 37 1HH2 ARG 37 22.812 2.836 16.181 275 HH22 ARG 37 2HH2 ARG 37 24.409 3.530 16.227 276 H ARG 38 H ARG 38 18.594 -1.597 10.050 277 HA ARG 38 HA ARG 38 20.244 -3.518 11.664 278 HB2 ARG 38 1HB ARG 38 18.134 -4.317 12.592 279 HB3 ARG 38 2HB ARG 38 18.292 -2.584 12.874 280 HG2 ARG 38 1HG ARG 38 16.555 -2.041 11.389 281 HG3 ARG 38 2HG ARG 38 16.756 -3.530 10.451 282 HD2 ARG 38 1HD ARG 38 15.963 -4.819 12.471 283 HD3 ARG 38 2HD ARG 38 15.518 -3.260 13.202 284 HE ARG 38 HE ARG 38 14.375 -3.381 10.613 285 HH11 ARG 38 1HH1 ARG 38 13.991 -5.059 13.695 286 HH12 ARG 38 2HH1 ARG 38 12.321 -5.446 13.383 287 HH21 ARG 38 1HH2 ARG 38 12.233 -3.919 10.285 288 HH22 ARG 38 2HH2 ARG 38 11.351 -4.817 11.487 289 H SER 39 H SER 39 20.073 -3.157 8.739 290 HA SER 39 HA SER 39 19.992 -4.381 6.808 291 HB2 SER 39 1HB SER 39 20.133 -6.679 6.793 292 HB3 SER 39 2HB SER 39 20.710 -6.311 8.428 293 HG SER 39 HG SER 39 18.526 -6.699 9.137 294 HA PRO 40 HA PRO 40 15.871 -3.831 5.620 295 HB2 PRO 40 1HB PRO 40 15.548 -5.525 3.465 296 HB3 PRO 40 2HB PRO 40 16.519 -4.017 3.388 297 HG2 PRO 40 1HG PRO 40 17.472 -6.833 3.918 298 HG3 PRO 40 2HG PRO 40 18.078 -5.652 2.713 299 HD2 PRO 40 1HD PRO 40 19.311 -5.983 5.013 300 HD3 PRO 40 2HD PRO 40 19.060 -4.327 4.357 301 H GLN 41 H GLN 41 13.765 -4.710 5.846 302 HA GLN 41 HA GLN 41 13.508 -7.540 6.604 303 HB2 GLN 41 1HB GLN 41 13.626 -5.304 8.529 304 HB3 GLN 41 2HB GLN 41 12.149 -6.256 8.668 305 HG2 GLN 41 1HG GLN 41 14.988 -7.313 8.834 306 HG3 GLN 41 2HG GLN 41 13.852 -7.121 10.177 307 HE21 GLN 41 1HE2 GLN 41 13.956 -10.644 8.637 308 HE22 GLN 41 2HE2 GLN 41 15.250 -9.510 8.946 309 H ARG 42 H ARG 42 11.147 -7.924 7.273 310 HA ARG 42 HA ARG 42 9.503 -7.156 5.050 311 HB2 ARG 42 1HB ARG 42 8.906 -8.468 7.719 312 HB3 ARG 42 2HB ARG 42 7.709 -8.245 6.449 313 HG2 ARG 42 1HG ARG 42 9.108 -9.599 4.899 314 HG3 ARG 42 2HG ARG 42 10.212 -9.950 6.259 315 HD2 ARG 42 1HD ARG 42 8.444 -10.986 7.511 316 HD3 ARG 42 2HD ARG 42 7.237 -10.379 6.383 317 HE ARG 42 HE ARG 42 9.065 -12.175 5.087 318 HH11 ARG 42 1HH1 ARG 42 6.151 -12.001 7.090 319 HH12 ARG 42 2HH1 ARG 42 5.558 -13.545 6.516 320 HH21 ARG 42 1HH2 ARG 42 8.250 -14.156 4.425 321 HH22 ARG 42 2HH2 ARG 42 6.729 -14.736 5.043 322 H GLY 43 H GLY 43 7.248 -6.315 5.323 323 HA2 GLY 43 1HA GLY 43 6.539 -4.480 7.355 324 HA3 GLY 43 2HA GLY 43 7.368 -3.596 6.062 325 H ILE 44 H ILE 44 6.119 -2.837 4.478 326 HA ILE 44 HA ILE 44 3.378 -2.948 4.377 327 HB ILE 44 HB ILE 44 4.793 -1.338 3.110 328 HG12 ILE 44 1HG1 ILE 44 3.616 -1.422 0.854 329 HG13 ILE 44 2HG1 ILE 44 2.835 -2.901 1.385 330 HG21 ILE 44 1HG2 ILE 44 6.527 -2.945 2.279 331 HG22 ILE 44 2HG2 ILE 44 5.340 -3.638 1.146 332 HG23 ILE 44 3HG2 ILE 44 5.863 -1.946 0.973 333 HD11 ILE 44 1HD1 ILE 44 1.404 -0.963 1.614 334 HD12 ILE 44 2HD1 ILE 44 1.732 -1.684 3.204 335 HD13 ILE 44 3HD1 ILE 44 2.570 -0.185 2.706 336 H VAL 45 H VAL 45 5.512 -5.279 2.792 337 HA VAL 45 HA VAL 45 3.519 -6.382 1.127 338 HB VAL 45 HB VAL 45 5.050 -8.195 0.725 339 HG11 VAL 45 1HG1 VAL 45 6.654 -5.655 1.069 340 HG12 VAL 45 2HG1 VAL 45 6.974 -6.992 -0.057 341 HG13 VAL 45 3HG1 VAL 45 5.527 -5.992 -0.269 342 HG21 VAL 45 1HG2 VAL 45 5.736 -8.755 2.990 343 HG22 VAL 45 2HG2 VAL 45 7.170 -8.458 1.985 344 HG23 VAL 45 3HG2 VAL 45 6.617 -7.213 3.130 345 H GLU 46 H GLU 46 4.155 -6.884 4.566 346 HA GLU 46 HA GLU 46 3.121 -9.576 4.640 347 HB2 GLU 46 1HB GLU 46 3.502 -7.465 6.765 348 HB3 GLU 46 2HB GLU 46 2.912 -9.108 7.101 349 HG2 GLU 46 1HG GLU 46 4.950 -9.997 5.987 350 HG3 GLU 46 2HG GLU 46 5.559 -8.342 5.861 351 H GLU 47 H GLU 47 1.635 -6.355 4.961 352 HA GLU 47 HA GLU 47 -0.971 -7.690 5.389 353 HB2 GLU 47 1HB GLU 47 -0.152 -4.780 5.319 354 HB3 GLU 47 2HB GLU 47 -1.831 -5.323 5.381 355 HG2 GLU 47 1HG GLU 47 -1.351 -4.928 7.606 356 HG3 GLU 47 2HG GLU 47 -1.155 -6.680 7.458 357 H CYS 48 H CYS 48 0.836 -6.068 2.778 358 HA CYS 48 HA CYS 48 -1.679 -6.065 1.207 359 HB2 CYS 48 1HB CYS 48 0.990 -4.755 0.678 360 HB3 CYS 48 2HB CYS 48 -0.436 -4.633 -0.364 361 H CYS 49 H CYS 49 1.137 -8.057 1.358 362 HA CYS 49 HA CYS 49 0.443 -9.146 -1.351 363 HB2 CYS 49 1HB CYS 49 2.704 -8.296 -1.395 364 HB3 CYS 49 2HB CYS 49 3.106 -9.157 0.091 365 H PHE 50 H PHE 50 1.792 -10.098 1.854 366 HA PHE 50 HA PHE 50 1.124 -12.904 1.431 367 HB2 PHE 50 1HB PHE 50 1.926 -11.313 3.892 368 HB3 PHE 50 2HB PHE 50 1.595 -13.046 3.922 369 HD1 PHE 50 1HD PHE 50 3.036 -14.635 2.668 370 HD2 PHE 50 2HD PHE 50 4.020 -10.466 2.975 371 HE1 PHE 50 1HE PHE 50 5.369 -15.137 1.948 372 HE2 PHE 50 2HE PHE 50 6.353 -10.951 2.260 373 HZ PHE 50 HZ PHE 50 7.034 -13.291 1.742 374 H ARG 51 H ARG 51 -0.478 -10.075 2.605 375 HA ARG 51 HA ARG 51 -2.973 -11.641 2.939 376 HB2 ARG 51 1HB ARG 51 -1.744 -10.539 5.051 377 HB3 ARG 51 2HB ARG 51 -2.485 -9.081 4.430 378 HG2 ARG 51 1HG ARG 51 -4.626 -10.393 4.424 379 HG3 ARG 51 2HG ARG 51 -3.739 -11.572 5.403 380 HD2 ARG 51 1HD ARG 51 -3.233 -9.853 7.065 381 HD3 ARG 51 2HD ARG 51 -3.965 -8.605 6.044 382 HE ARG 51 HE ARG 51 -5.347 -10.592 7.702 383 HH11 ARG 51 1HH1 ARG 51 -5.729 -8.110 5.182 384 HH12 ARG 51 2HH1 ARG 51 -7.432 -7.937 5.517 385 HH21 ARG 51 1HH2 ARG 51 -7.526 -10.305 8.024 386 HH22 ARG 51 2HH2 ARG 51 -8.421 -9.149 7.075 387 H SER 52 H SER 52 -4.726 -9.648 2.882 388 HA SER 52 HA SER 52 -3.999 -7.859 0.592 389 HB2 SER 52 1HB SER 52 -6.450 -7.656 0.236 390 HB3 SER 52 2HB SER 52 -5.910 -9.340 0.061 391 HG SER 52 HG SER 52 -7.843 -8.956 1.387 392 H CYS 53 H CYS 53 -4.700 -5.605 0.912 393 HA CYS 53 HA CYS 53 -5.179 -4.925 3.773 394 HB2 CYS 53 1HB CYS 53 -3.461 -3.198 3.650 395 HB3 CYS 53 2HB CYS 53 -2.762 -4.777 3.310 396 H ASP 54 H ASP 54 -5.915 -2.772 4.149 397 HA ASP 54 HA ASP 54 -7.655 -1.766 1.977 398 HB2 ASP 54 1HB ASP 54 -7.265 -0.948 4.889 399 HB3 ASP 54 2HB ASP 54 -8.436 -0.209 3.783 400 H LEU 55 H LEU 55 -7.419 0.444 1.234 401 HA LEU 55 HA LEU 55 -4.730 1.352 0.970 402 HB2 LEU 55 1HB LEU 55 -5.668 3.364 0.021 403 HB3 LEU 55 2HB LEU 55 -6.466 1.939 -0.623 404 HG LEU 55 HG LEU 55 -8.181 2.659 1.409 405 HD11 LEU 55 1HD1 LEU 55 -6.905 4.756 1.833 406 HD12 LEU 55 2HD1 LEU 55 -8.540 5.082 1.227 407 HD13 LEU 55 3HD1 LEU 55 -7.143 5.230 0.136 408 HD21 LEU 55 1HD2 LEU 55 -8.196 3.599 -1.485 409 HD22 LEU 55 2HD2 LEU 55 -9.608 3.523 -0.405 410 HD23 LEU 55 3HD2 LEU 55 -8.785 2.028 -0.889 411 H ALA 56 H ALA 56 -7.164 1.936 3.404 412 HA ALA 56 HA ALA 56 -5.991 4.243 4.629 413 HB1 ALA 56 1HB ALA 56 -8.311 3.499 5.043 414 HB2 ALA 56 2HB ALA 56 -7.701 2.010 5.817 415 HB3 ALA 56 3HB ALA 56 -7.392 3.598 6.564 416 H LEU 57 H LEU 57 -5.545 0.730 5.115 417 HA LEU 57 HA LEU 57 -3.780 1.003 7.388 418 HB2 LEU 57 1HB LEU 57 -5.039 -1.058 6.836 419 HB3 LEU 57 2HB LEU 57 -4.120 -1.236 5.343 420 HG LEU 57 HG LEU 57 -2.595 -1.046 7.894 421 HD11 LEU 57 1HD1 LEU 57 -4.463 -2.543 8.458 422 HD12 LEU 57 2HD1 LEU 57 -2.932 -3.436 8.369 423 HD13 LEU 57 3HD1 LEU 57 -4.099 -3.542 7.029 424 HD21 LEU 57 1HD2 LEU 57 -1.361 -1.310 5.772 425 HD22 LEU 57 2HD2 LEU 57 -2.253 -2.807 5.436 426 HD23 LEU 57 3HD2 LEU 57 -1.137 -2.716 6.817 427 H LEU 58 H LEU 58 -3.435 0.587 3.907 428 HA LEU 58 HA LEU 58 -0.649 0.360 3.703 429 HB2 LEU 58 1HB LEU 58 -2.610 0.134 2.027 430 HB3 LEU 58 2HB LEU 58 -2.441 1.859 1.792 431 HG LEU 58 HG LEU 58 -0.482 -0.301 1.046 432 HD11 LEU 58 1HD1 LEU 58 -2.065 1.757 -0.479 433 HD12 LEU 58 2HD1 LEU 58 -2.437 0.013 -0.352 434 HD13 LEU 58 3HD1 LEU 58 -0.950 0.546 -1.170 435 HD21 LEU 58 1HD2 LEU 58 0.718 1.644 -0.087 436 HD22 LEU 58 2HD2 LEU 58 0.956 1.450 1.657 437 HD23 LEU 58 3HD2 LEU 58 -0.149 2.691 1.051 438 H GLU 59 H GLU 59 -2.721 3.271 3.763 439 HA GLU 59 HA GLU 59 -0.807 5.216 3.166 440 HB2 GLU 59 1HB GLU 59 -3.270 5.532 3.370 441 HB3 GLU 59 2HB GLU 59 -3.121 5.439 5.129 442 HG2 GLU 59 1HG GLU 59 -1.756 7.466 5.153 443 HG3 GLU 59 2HG GLU 59 -1.779 7.520 3.389 444 H THR 60 H THR 60 -1.141 3.424 6.184 445 HA THR 60 HA THR 60 0.207 5.340 7.835 446 HB THR 60 HB THR 60 0.409 3.586 9.478 447 HG1 THR 60 1HG THR 60 -0.432 1.732 7.478 448 HG21 THR 60 1HG2 THR 60 -1.912 2.834 9.621 449 HG22 THR 60 2HG2 THR 60 -2.167 3.130 7.888 450 HG23 THR 60 3HG2 THR 60 -1.893 4.497 8.989 451 H TYR 61 H TYR 61 1.417 3.121 5.456 452 HA TYR 61 HA TYR 61 4.151 3.039 6.532 453 HB2 TYR 61 1HB TYR 61 2.831 2.136 3.961 454 HB3 TYR 61 2HB TYR 61 4.577 2.101 4.175 455 HD1 TYR 61 1HD TYR 61 1.373 0.614 5.371 456 HD2 TYR 61 2HD TYR 61 5.667 0.533 5.621 457 HE1 TYR 61 1HE TYR 61 1.277 -1.612 6.521 458 HE2 TYR 61 2HE TYR 61 5.548 -1.666 6.785 459 HH TYR 61 HH TYR 61 2.553 -3.429 7.331 460 H CYS 62 H CYS 62 2.320 5.389 4.939 461 HA CYS 62 HA CYS 62 4.360 6.388 3.176 462 HB2 CYS 62 1HB CYS 62 1.907 7.726 4.309 463 HB3 CYS 62 2HB CYS 62 2.944 8.394 3.028 464 H ALA 63 H ALA 63 5.547 8.370 3.352 465 HA ALA 63 HA ALA 63 7.051 8.312 5.790 466 HB1 ALA 63 1HB ALA 63 8.364 10.116 4.776 467 HB2 ALA 63 2HB ALA 63 8.038 8.835 3.584 468 HB3 ALA 63 3HB ALA 63 7.117 10.351 3.543 469 H THR 64 H THR 64 4.416 10.362 4.662 470 HA THR 64 HA THR 64 4.396 11.522 7.384 471 HB THR 64 HB THR 64 3.386 13.630 6.447 472 HG1 THR 64 1HG THR 64 4.577 12.703 4.018 473 HG21 THR 64 1HG2 THR 64 6.235 13.043 5.554 474 HG22 THR 64 2HG2 THR 64 5.738 13.494 7.205 475 HG23 THR 64 3HG2 THR 64 5.522 14.642 5.861 476 HA PRO 65 HA PRO 65 0.368 9.897 7.254 477 HB2 PRO 65 1HB PRO 65 -0.762 11.050 9.414 478 HB3 PRO 65 2HB PRO 65 0.716 10.051 9.581 479 HG2 PRO 65 1HG PRO 65 0.465 13.040 9.343 480 HG3 PRO 65 2HG PRO 65 1.331 12.086 10.573 481 HD2 PRO 65 1HD PRO 65 2.563 13.155 8.415 482 HD3 PRO 65 2HD PRO 65 3.100 11.612 9.158 483 H ALA 66 H ALA 66 -2.024 10.505 7.529 484 HA ALA 66 HA ALA 66 -2.795 12.483 5.581 485 HB1 ALA 66 1HB ALA 66 -5.089 11.963 6.317 486 HB2 ALA 66 2HB ALA 66 -4.166 10.457 6.147 487 HB3 ALA 66 3HB ALA 66 -4.465 11.138 7.764 488 H LYS 67 H LYS 67 -3.517 14.589 5.885 489 HA LYS 67 HA LYS 67 -3.584 15.591 8.690 490 HB2 LYS 67 1HB LYS 67 -2.379 16.990 6.281 491 HB3 LYS 67 2HB LYS 67 -2.640 17.763 7.845 492 HG2 LYS 67 1HG LYS 67 -1.019 15.249 7.900 493 HG3 LYS 67 2HG LYS 67 -0.292 16.623 7.072 494 HD2 LYS 67 1HD LYS 67 0.445 16.673 9.363 495 HD3 LYS 67 2HD LYS 67 -0.664 18.027 9.112 496 HE2 LYS 67 1HE LYS 67 -1.098 16.977 11.273 497 HE3 LYS 67 2HE LYS 67 -2.489 16.744 10.203 498 HZ1 LYS 67 1HZ LYS 67 -0.403 14.697 10.715 499 HZ2 LYS 67 2HZ LYS 67 -1.760 14.486 9.798 500 HZ3 LYS 67 3HZ LYS 67 -1.891 14.726 11.424 501 H SER 68 H SER 68 -5.391 14.776 6.338 502 HA SER 68 HA SER 68 -7.117 17.191 6.235 503 HB2 SER 68 1HB SER 68 -7.345 14.524 4.776 504 HB3 SER 68 2HB SER 68 -8.323 15.981 4.479 505 HG SER 68 HG SER 68 -6.604 15.852 3.000 506 H GLU 69 H GLU 69 -7.703 17.057 8.444 507 HA GLU 69 HA GLU 69 -8.942 16.486 10.257 508 HB2 GLU 69 1HB GLU 69 -10.873 16.583 8.665 509 HB3 GLU 69 2HB GLU 69 -10.714 14.852 8.377 510 HG2 GLU 69 1HG GLU 69 -11.093 14.409 10.824 511 HG3 GLU 69 2HG GLU 69 -11.289 16.143 11.096 Start of MODEL 8 1 HA ALA 1 HA ALA 1 -15.880 -7.593 -10.380 2 HB1 ALA 1 1HB ALA 1 -15.510 -4.574 -9.995 3 HB2 ALA 1 2HB ALA 1 -14.460 -5.632 -10.953 4 HB3 ALA 1 3HB ALA 1 -16.136 -5.354 -11.460 5 H TYR 2 H TYR 2 -13.838 -8.069 -9.782 6 HA TYR 2 HA TYR 2 -13.280 -7.844 -6.870 7 HB2 TYR 2 1HB TYR 2 -12.255 -9.744 -9.015 8 HB3 TYR 2 2HB TYR 2 -11.779 -9.769 -7.318 9 HD1 TYR 2 1HD TYR 2 -13.418 -10.434 -5.543 10 HD2 TYR 2 2HD TYR 2 -14.420 -10.639 -9.726 11 HE1 TYR 2 1HE TYR 2 -15.398 -11.862 -5.008 12 HE2 TYR 2 2HE TYR 2 -16.392 -12.067 -9.182 13 HH TYR 2 HH TYR 2 -17.593 -13.098 -7.542 14 H ARG 3 H ARG 3 -10.847 -7.672 -6.375 15 HA ARG 3 HA ARG 3 -9.845 -5.348 -7.776 16 HB2 ARG 3 1HB ARG 3 -8.914 -7.113 -5.527 17 HB3 ARG 3 2HB ARG 3 -7.719 -6.114 -6.353 18 HG2 ARG 3 1HG ARG 3 -8.404 -4.890 -4.469 19 HG3 ARG 3 2HG ARG 3 -9.170 -4.113 -5.864 20 HD2 ARG 3 1HD ARG 3 -11.298 -5.138 -5.345 21 HD3 ARG 3 2HD ARG 3 -10.558 -6.134 -4.071 22 HE ARG 3 HE ARG 3 -9.982 -3.487 -3.399 23 HH11 ARG 3 1HH1 ARG 3 -12.923 -5.394 -3.802 24 HH12 ARG 3 2HH1 ARG 3 -13.807 -4.450 -2.634 25 HH21 ARG 3 1HH2 ARG 3 -11.165 -2.333 -1.912 26 HH22 ARG 3 2HH2 ARG 3 -12.824 -2.749 -1.581 27 HA PRO 4 HA PRO 4 -7.640 -7.566 -11.000 28 HB2 PRO 4 1HB PRO 4 -5.647 -5.328 -10.669 29 HB3 PRO 4 2HB PRO 4 -6.441 -5.920 -12.158 30 HG2 PRO 4 1HG PRO 4 -7.189 -3.637 -11.076 31 HG3 PRO 4 2HG PRO 4 -8.415 -4.793 -11.686 32 HD2 PRO 4 1HD PRO 4 -7.543 -4.301 -8.835 33 HD3 PRO 4 2HD PRO 4 -9.191 -4.483 -9.520 34 H SER 5 H SER 5 -6.140 -6.360 -8.059 35 HA SER 5 HA SER 5 -4.455 -8.758 -7.885 36 HB2 SER 5 1HB SER 5 -3.339 -5.953 -7.443 37 HB3 SER 5 2HB SER 5 -2.454 -7.491 -7.368 38 HG SER 5 HG SER 5 -3.334 -7.650 -9.684 39 H GLU 6 H GLU 6 -5.419 -9.545 -6.103 40 HA GLU 6 HA GLU 6 -6.619 -7.765 -4.121 41 HB2 GLU 6 1HB GLU 6 -6.286 -10.784 -4.015 42 HB3 GLU 6 2HB GLU 6 -7.409 -9.790 -3.072 43 HG2 GLU 6 1HG GLU 6 -8.121 -9.071 -5.601 44 HG3 GLU 6 2HG GLU 6 -7.582 -10.725 -5.897 45 H THR 7 H THR 7 -3.589 -9.211 -4.668 46 HA THR 7 HA THR 7 -2.628 -8.211 -2.037 47 HB THR 7 HB THR 7 -0.837 -10.002 -2.147 48 HG1 THR 7 1HG THR 7 -1.231 -11.762 -3.524 49 HG21 THR 7 1HG2 THR 7 -2.826 -10.297 -0.689 50 HG22 THR 7 2HG2 THR 7 -2.189 -11.837 -1.297 51 HG23 THR 7 3HG2 THR 7 -3.656 -11.136 -2.021 52 H LEU 8 H LEU 8 -0.393 -7.453 -2.260 53 HA LEU 8 HA LEU 8 0.432 -6.829 -5.081 54 HB2 LEU 8 1HB LEU 8 0.089 -5.005 -2.690 55 HB3 LEU 8 2HB LEU 8 1.233 -4.665 -3.945 56 HG LEU 8 HG LEU 8 -0.429 -3.198 -4.295 57 HD11 LEU 8 1HD1 LEU 8 -0.950 -5.467 -6.215 58 HD12 LEU 8 2HD1 LEU 8 0.269 -4.176 -6.353 59 HD13 LEU 8 3HD1 LEU 8 -1.449 -3.773 -6.445 60 HD21 LEU 8 1HD2 LEU 8 -2.524 -5.346 -4.173 61 HD22 LEU 8 2HD2 LEU 8 -2.754 -3.590 -4.397 62 HD23 LEU 8 3HD2 LEU 8 -2.109 -4.206 -2.866 63 H CYS 9 H CYS 9 2.591 -7.281 -5.354 64 HA CYS 9 HA CYS 9 4.254 -7.429 -2.863 65 HB2 CYS 9 1HB CYS 9 3.725 -9.443 -4.744 66 HB3 CYS 9 2HB CYS 9 5.361 -8.885 -5.107 67 H GLY 10 H GLY 10 6.735 -7.478 -3.767 68 HA2 GLY 10 1HA GLY 10 7.299 -4.786 -3.988 69 HA3 GLY 10 2HA GLY 10 8.440 -6.072 -4.333 70 H GLY 11 H GLY 11 6.286 -3.686 -5.624 71 HA2 GLY 11 1HA GLY 11 7.572 -2.635 -7.663 72 HA3 GLY 11 2HA GLY 11 7.158 -4.189 -8.406 73 H GLU 12 H GLU 12 4.741 -4.857 -8.032 74 HA GLU 12 HA GLU 12 3.075 -2.764 -9.077 75 HB2 GLU 12 1HB GLU 12 1.270 -4.290 -8.875 76 HB3 GLU 12 2HB GLU 12 2.670 -5.061 -9.606 77 HG2 GLU 12 1HG GLU 12 2.132 -5.368 -6.668 78 HG3 GLU 12 2HG GLU 12 1.233 -6.257 -7.873 79 H LEU 13 H LEU 13 3.792 -3.926 -5.848 80 HA LEU 13 HA LEU 13 1.754 -2.530 -4.405 81 HB2 LEU 13 1HB LEU 13 3.263 -4.306 -3.572 82 HB3 LEU 13 2HB LEU 13 4.617 -3.214 -3.668 83 HG LEU 13 HG LEU 13 3.956 -2.041 -1.751 84 HD11 LEU 13 1HD1 LEU 13 1.492 -1.853 -2.176 85 HD12 LEU 13 2HD1 LEU 13 1.889 -2.338 -0.524 86 HD13 LEU 13 3HD1 LEU 13 1.324 -3.551 -1.680 87 HD21 LEU 13 1HD2 LEU 13 3.420 -4.999 -1.510 88 HD22 LEU 13 2HD2 LEU 13 3.794 -3.926 -0.162 89 HD23 LEU 13 3HD2 LEU 13 4.993 -4.170 -1.444 90 H VAL 14 H VAL 14 4.897 -1.525 -5.681 91 HA VAL 14 HA VAL 14 5.118 0.945 -4.265 92 HB VAL 14 HB VAL 14 6.200 0.163 -7.027 93 HG11 VAL 14 1HG1 VAL 14 7.803 2.009 -6.726 94 HG12 VAL 14 2HG1 VAL 14 6.139 2.620 -6.763 95 HG13 VAL 14 3HG1 VAL 14 6.995 2.468 -5.215 96 HG21 VAL 14 1HG2 VAL 14 7.550 0.165 -4.292 97 HG22 VAL 14 2HG2 VAL 14 7.023 -1.279 -5.187 98 HG23 VAL 14 3HG2 VAL 14 8.312 -0.258 -5.842 99 H ASP 15 H ASP 15 3.525 0.043 -7.349 100 HA ASP 15 HA ASP 15 2.734 2.707 -8.056 101 HB2 ASP 15 1HB ASP 15 2.622 0.740 -9.591 102 HB3 ASP 15 2HB ASP 15 1.291 0.089 -8.624 103 H THR 16 H THR 16 1.118 0.145 -6.088 104 HA THR 16 HA THR 16 -1.241 1.650 -5.615 105 HB THR 16 HB THR 16 0.013 -0.359 -3.680 106 HG1 THR 16 1HG THR 16 -1.521 -0.772 -6.062 107 HG21 THR 16 1HG2 THR 16 -2.007 0.793 -2.925 108 HG22 THR 16 2HG2 THR 16 -2.323 -0.919 -3.283 109 HG23 THR 16 3HG2 THR 16 -2.846 0.337 -4.429 110 H LEU 17 H LEU 17 1.856 1.522 -3.827 111 HA LEU 17 HA LEU 17 1.006 3.114 -1.605 112 HB2 LEU 17 1HB LEU 17 3.665 2.484 -2.878 113 HB3 LEU 17 2HB LEU 17 3.555 3.630 -1.536 114 HG LEU 17 HG LEU 17 2.155 1.024 -1.224 115 HD11 LEU 17 1HD1 LEU 17 4.233 0.309 -2.156 116 HD12 LEU 17 2HD1 LEU 17 4.120 -0.102 -0.442 117 HD13 LEU 17 3HD1 LEU 17 5.134 1.271 -0.955 118 HD21 LEU 17 1HD2 LEU 17 3.818 2.749 0.651 119 HD22 LEU 17 2HD2 LEU 17 2.874 1.310 1.106 120 HD23 LEU 17 3HD2 LEU 17 2.039 2.755 0.513 121 H GLN 18 H GLN 18 2.416 3.982 -4.771 122 HA GLN 18 HA GLN 18 2.673 6.789 -4.191 123 HB2 GLN 18 1HB GLN 18 2.348 5.249 -6.788 124 HB3 GLN 18 2HB GLN 18 2.641 6.991 -6.723 125 HG2 GLN 18 1HG GLN 18 4.782 6.671 -5.670 126 HG3 GLN 18 2HG GLN 18 4.495 4.941 -5.485 127 HE21 GLN 18 1HE2 GLN 18 6.577 5.924 -8.552 128 HE22 GLN 18 2HE2 GLN 18 6.548 6.630 -6.956 129 H PHE 19 H PHE 19 0.084 4.786 -5.630 130 HA PHE 19 HA PHE 19 -1.625 6.983 -6.299 131 HB2 PHE 19 1HB PHE 19 -1.770 4.728 -7.286 132 HB3 PHE 19 2HB PHE 19 -2.268 4.067 -5.726 133 HD1 PHE 19 1HD PHE 19 -3.296 6.330 -8.501 134 HD2 PHE 19 2HD PHE 19 -4.535 4.221 -4.962 135 HE1 PHE 19 1HE PHE 19 -5.677 6.822 -9.048 136 HE2 PHE 19 2HE PHE 19 -6.918 4.706 -5.496 137 HZ PHE 19 HZ PHE 19 -7.495 6.008 -7.543 138 H VAL 20 H VAL 20 -1.587 4.836 -3.408 139 HA VAL 20 HA VAL 20 -4.071 5.889 -2.434 140 HB VAL 20 HB VAL 20 -3.065 3.605 -1.931 141 HG11 VAL 20 1HG1 VAL 20 -1.561 3.364 -0.039 142 HG12 VAL 20 2HG1 VAL 20 -0.796 4.371 -1.275 143 HG13 VAL 20 3HG1 VAL 20 -1.478 5.121 0.184 144 HG21 VAL 20 1HG2 VAL 20 -3.962 5.231 0.456 145 HG22 VAL 20 2HG2 VAL 20 -5.029 4.492 -0.757 146 HG23 VAL 20 3HG2 VAL 20 -4.035 3.460 0.296 147 H CYS 21 H CYS 21 -0.809 7.035 -2.053 148 HA CYS 21 HA CYS 21 -1.777 8.923 0.055 149 HB2 CYS 21 1HB CYS 21 -0.075 7.239 0.763 150 HB3 CYS 21 2HB CYS 21 1.063 7.983 -0.372 151 H GLY 22 H GLY 22 0.471 8.750 -2.780 152 HA2 GLY 22 1HA GLY 22 0.284 10.674 -4.293 153 HA3 GLY 22 2HA GLY 22 0.305 11.714 -2.864 154 H ASP 23 H ASP 23 1.980 12.799 -3.736 155 HA ASP 23 HA ASP 23 4.533 11.585 -4.412 156 HB2 ASP 23 1HB ASP 23 5.214 13.864 -4.867 157 HB3 ASP 23 2HB ASP 23 3.573 13.640 -5.494 158 H ARG 24 H ARG 24 3.149 12.204 -1.449 159 HA ARG 24 HA ARG 24 5.215 13.638 -0.110 160 HB2 ARG 24 1HB ARG 24 3.039 11.813 0.956 161 HB3 ARG 24 2HB ARG 24 3.970 12.965 1.918 162 HG2 ARG 24 1HG ARG 24 2.688 14.181 -0.456 163 HG3 ARG 24 2HG ARG 24 1.538 13.485 0.694 164 HD2 ARG 24 1HD ARG 24 3.778 15.202 1.708 165 HD3 ARG 24 2HD ARG 24 2.373 15.963 0.931 166 HE ARG 24 HE ARG 24 1.378 14.079 2.769 167 HH11 ARG 24 1HH1 ARG 24 3.251 17.071 2.930 168 HH12 ARG 24 2HH1 ARG 24 2.614 17.501 4.495 169 HH21 ARG 24 1HH2 ARG 24 0.585 14.699 4.736 170 HH22 ARG 24 2HH2 ARG 24 1.134 16.173 5.509 171 H GLY 25 H GLY 25 5.387 10.496 -1.222 172 HA2 GLY 25 1HA GLY 25 7.218 9.069 -0.976 173 HA3 GLY 25 2HA GLY 25 7.777 10.024 0.407 174 H PHE 26 H PHE 26 7.738 7.159 0.331 175 HA PHE 26 HA PHE 26 6.027 6.624 2.662 176 HB2 PHE 26 1HB PHE 26 5.052 4.589 1.544 177 HB3 PHE 26 2HB PHE 26 4.447 6.122 0.905 178 HD1 PHE 26 1HD PHE 26 6.674 3.230 0.178 179 HD2 PHE 26 2HD PHE 26 4.847 6.817 -1.341 180 HE1 PHE 26 1HE PHE 26 7.342 2.594 -2.134 181 HE2 PHE 26 2HE PHE 26 5.522 6.202 -3.629 182 HZ PHE 26 HZ PHE 26 6.774 4.103 -4.035 183 H TYR 27 H TYR 27 6.443 4.358 3.436 184 HA TYR 27 HA TYR 27 9.261 3.583 2.775 185 HB2 TYR 27 1HB TYR 27 7.790 3.390 5.427 186 HB3 TYR 27 2HB TYR 27 9.468 2.909 5.124 187 HD1 TYR 27 1HD TYR 27 7.420 5.516 6.381 188 HD2 TYR 27 2HD TYR 27 10.971 4.889 4.028 189 HE1 TYR 27 1HE TYR 27 8.204 7.817 6.931 190 HE2 TYR 27 2HE TYR 27 11.720 7.202 4.553 191 HH TYR 27 HH TYR 27 11.220 9.165 5.588 192 H PHE 28 H PHE 28 9.715 1.297 2.959 193 HA PHE 28 HA PHE 28 7.335 -0.342 2.261 194 HB2 PHE 28 1HB PHE 28 10.046 -0.198 1.366 195 HB3 PHE 28 2HB PHE 28 9.833 -1.781 2.117 196 HD1 PHE 28 1HD PHE 28 7.866 0.500 -0.174 197 HD2 PHE 28 2HD PHE 28 9.216 -3.502 0.671 198 HE1 PHE 28 1HE PHE 28 6.725 -0.315 -2.228 199 HE2 PHE 28 2HE PHE 28 8.079 -4.321 -1.393 200 HZ PHE 28 HZ PHE 28 6.818 -2.726 -2.838 201 H SER 29 H SER 29 8.649 0.627 4.994 202 HA SER 29 HA SER 29 8.120 -1.890 6.446 203 HB2 SER 29 1HB SER 29 10.230 -1.526 7.764 204 HB3 SER 29 2HB SER 29 10.526 -1.975 6.073 205 HG SER 29 HG SER 29 10.578 0.689 7.120 206 H ARG 30 H ARG 30 7.688 -1.416 8.724 207 HA ARG 30 HA ARG 30 6.319 1.025 9.121 208 HB2 ARG 30 1HB ARG 30 7.320 -0.940 11.177 209 HB3 ARG 30 2HB ARG 30 6.213 0.389 11.524 210 HG2 ARG 30 1HG ARG 30 5.605 -1.792 9.511 211 HG3 ARG 30 2HG ARG 30 5.186 -1.906 11.230 212 HD2 ARG 30 1HD ARG 30 3.901 0.215 11.050 213 HD3 ARG 30 2HD ARG 30 4.268 0.283 9.321 214 HE ARG 30 HE ARG 30 3.007 -2.205 9.841 215 HH11 ARG 30 1HH1 ARG 30 2.217 1.224 9.819 216 HH12 ARG 30 2HH1 ARG 30 0.552 0.945 9.386 217 HH21 ARG 30 1HH2 ARG 30 0.846 -2.512 9.303 218 HH22 ARG 30 2HH2 ARG 30 -0.212 -1.126 9.152 219 HA PRO 31 HA PRO 31 10.084 2.787 11.387 220 HB2 PRO 31 1HB PRO 31 12.529 1.644 10.826 221 HB3 PRO 31 2HB PRO 31 11.528 1.145 12.230 222 HG2 PRO 31 1HG PRO 31 11.674 -0.125 9.481 223 HG3 PRO 31 2HG PRO 31 11.829 -0.910 11.085 224 HD2 PRO 31 1HD PRO 31 9.527 -0.928 9.762 225 HD3 PRO 31 2HD PRO 31 9.560 -0.680 11.531 226 H ALA 32 H ALA 32 11.136 4.504 10.378 227 HA ALA 32 HA ALA 32 10.661 4.922 7.623 228 HB1 ALA 32 1HB ALA 32 12.588 6.365 9.488 229 HB2 ALA 32 2HB ALA 32 11.966 6.982 7.939 230 HB3 ALA 32 3HB ALA 32 10.848 6.722 9.298 231 H SER 33 H SER 33 13.370 3.429 9.194 232 HA SER 33 HA SER 33 15.425 2.724 8.465 233 HB2 SER 33 1HB SER 33 13.818 1.215 7.314 234 HB3 SER 33 2HB SER 33 13.906 2.260 5.883 235 HG SER 33 HG SER 33 15.959 1.672 5.548 236 H ARG 34 H ARG 34 15.915 5.157 8.553 237 HA ARG 34 HA ARG 34 16.387 6.590 6.097 238 HB2 ARG 34 1HB ARG 34 15.927 7.464 8.466 239 HB3 ARG 34 2HB ARG 34 17.634 7.166 8.799 240 HG2 ARG 34 1HG ARG 34 18.228 8.740 6.942 241 HG3 ARG 34 2HG ARG 34 16.497 9.041 6.678 242 HD2 ARG 34 1HD ARG 34 16.299 9.825 9.017 243 HD3 ARG 34 2HD ARG 34 18.038 9.555 9.245 244 HE ARG 34 HE ARG 34 17.669 11.255 6.999 245 HH11 ARG 34 1HH1 ARG 34 17.331 11.394 10.512 246 HH12 ARG 34 2HH1 ARG 34 17.591 13.116 10.562 247 HH21 ARG 34 1HH2 ARG 34 17.988 13.456 7.145 248 HH22 ARG 34 2HH2 ARG 34 17.968 14.255 8.693 249 H VAL 35 H VAL 35 17.636 4.330 5.446 250 HA VAL 35 HA VAL 35 20.495 5.081 5.397 251 HB VAL 35 HB VAL 35 21.131 2.657 5.660 252 HG11 VAL 35 1HG1 VAL 35 20.993 2.558 8.096 253 HG12 VAL 35 2HG1 VAL 35 21.311 4.230 7.580 254 HG13 VAL 35 3HG1 VAL 35 19.680 3.755 8.103 255 HG21 VAL 35 1HG2 VAL 35 19.552 1.045 6.651 256 HG22 VAL 35 2HG2 VAL 35 18.262 2.266 6.650 257 HG23 VAL 35 3HG2 VAL 35 18.904 1.648 5.113 258 H SER 36 H SER 36 21.520 4.065 3.567 259 HA SER 36 HA SER 36 19.608 3.523 1.340 260 HB2 SER 36 1HB SER 36 21.514 4.323 -0.084 261 HB3 SER 36 2HB SER 36 20.894 5.543 1.049 262 HG SER 36 HG SER 36 23.233 5.324 0.987 263 H ARG 37 H ARG 37 20.590 1.479 3.243 264 HA ARG 37 HA ARG 37 22.699 -0.030 1.931 265 HB2 ARG 37 1HB ARG 37 20.594 -0.901 3.956 266 HB3 ARG 37 2HB ARG 37 21.986 -1.868 3.461 267 HG2 ARG 37 1HG ARG 37 22.132 0.810 4.904 268 HG3 ARG 37 2HG ARG 37 22.336 -0.778 5.653 269 HD2 ARG 37 1HD ARG 37 24.297 -1.190 4.146 270 HD3 ARG 37 2HD ARG 37 24.123 0.464 3.521 271 HE ARG 37 HE ARG 37 24.292 0.513 6.377 272 HH11 ARG 37 1HH1 ARG 37 26.366 0.026 3.558 273 HH12 ARG 37 2HH1 ARG 37 27.798 0.537 4.409 274 HH21 ARG 37 1HH2 ARG 37 26.165 1.163 7.389 275 HH22 ARG 37 2HH2 ARG 37 27.680 1.184 6.529 276 H ARG 38 H ARG 38 22.540 -1.751 0.530 277 HA ARG 38 HA ARG 38 20.249 -1.784 -1.214 278 HB2 ARG 38 1HB ARG 38 22.640 -3.648 -0.969 279 HB3 ARG 38 2HB ARG 38 21.418 -3.765 -2.236 280 HG2 ARG 38 1HG ARG 38 21.994 -1.501 -3.029 281 HG3 ARG 38 2HG ARG 38 23.234 -1.375 -1.764 282 HD2 ARG 38 1HD ARG 38 24.306 -2.018 -3.847 283 HD3 ARG 38 2HD ARG 38 24.368 -3.386 -2.718 284 HE ARG 38 HE ARG 38 22.031 -3.599 -4.350 285 HH11 ARG 38 1HH1 ARG 38 25.536 -3.970 -4.634 286 HH12 ARG 38 2HH1 ARG 38 25.397 -5.131 -5.924 287 HH21 ARG 38 1HH2 ARG 38 21.940 -5.084 -6.001 288 HH22 ARG 38 2HH2 ARG 38 23.400 -5.738 -6.691 289 H SER 39 H SER 39 20.911 -3.530 1.702 290 HA SER 39 HA SER 39 19.293 -5.839 0.979 291 HB2 SER 39 1HB SER 39 20.330 -4.948 3.692 292 HB3 SER 39 2HB SER 39 19.711 -6.560 3.264 293 HG SER 39 HG SER 39 21.873 -6.738 3.046 294 HA PRO 40 HA PRO 40 15.727 -3.446 2.337 295 HB2 PRO 40 1HB PRO 40 13.721 -5.015 1.416 296 HB3 PRO 40 2HB PRO 40 14.752 -4.074 0.286 297 HG2 PRO 40 1HG PRO 40 14.990 -6.961 1.111 298 HG3 PRO 40 2HG PRO 40 14.939 -6.263 -0.540 299 HD2 PRO 40 1HD PRO 40 17.279 -6.883 0.703 300 HD3 PRO 40 2HD PRO 40 17.131 -5.474 -0.405 301 H GLN 41 H GLN 41 13.754 -3.940 3.715 302 HA GLN 41 HA GLN 41 14.128 -6.355 5.432 303 HB2 GLN 41 1HB GLN 41 13.423 -3.531 6.325 304 HB3 GLN 41 2HB GLN 41 13.304 -4.978 7.340 305 HG2 GLN 41 1HG GLN 41 15.757 -5.365 6.976 306 HG3 GLN 41 2HG GLN 41 15.834 -3.800 6.151 307 HE21 GLN 41 1HE2 GLN 41 16.347 -2.122 9.134 308 HE22 GLN 41 2HE2 GLN 41 16.618 -2.262 7.413 309 H ARG 42 H ARG 42 11.980 -6.721 6.654 310 HA ARG 42 HA ARG 42 9.899 -6.829 4.588 311 HB2 ARG 42 1HB ARG 42 9.971 -7.863 7.449 312 HB3 ARG 42 2HB ARG 42 8.720 -8.207 6.254 313 HG2 ARG 42 1HG ARG 42 10.365 -9.332 4.818 314 HG3 ARG 42 2HG ARG 42 11.623 -9.033 6.033 315 HD2 ARG 42 1HD ARG 42 10.330 -10.322 7.692 316 HD3 ARG 42 2HD ARG 42 9.071 -10.617 6.487 317 HE ARG 42 HE ARG 42 11.756 -11.834 6.594 318 HH11 ARG 42 1HH1 ARG 42 8.701 -11.565 4.845 319 HH12 ARG 42 2HH1 ARG 42 9.018 -12.985 3.884 320 HH21 ARG 42 1HH2 ARG 42 12.092 -13.635 5.336 321 HH22 ARG 42 2HH2 ARG 42 10.906 -14.132 4.159 322 H GLY 43 H GLY 43 7.536 -6.577 5.677 323 HA2 GLY 43 1HA GLY 43 6.702 -4.857 7.507 324 HA3 GLY 43 2HA GLY 43 7.444 -3.716 6.375 325 H ILE 44 H ILE 44 6.361 -3.110 4.532 326 HA ILE 44 HA ILE 44 3.556 -3.352 4.520 327 HB ILE 44 HB ILE 44 4.845 -1.549 3.312 328 HG12 ILE 44 1HG1 ILE 44 3.559 -1.675 1.076 329 HG13 ILE 44 2HG1 ILE 44 2.856 -3.162 1.682 330 HG21 ILE 44 1HG2 ILE 44 6.623 -2.997 2.304 331 HG22 ILE 44 2HG2 ILE 44 5.429 -3.712 1.213 332 HG23 ILE 44 3HG2 ILE 44 5.830 -1.986 1.089 333 HD11 ILE 44 1HD1 ILE 44 2.558 -0.397 2.870 334 HD12 ILE 44 2HD1 ILE 44 1.340 -1.343 1.993 335 HD13 ILE 44 3HD1 ILE 44 1.894 -1.892 3.590 336 H VAL 45 H VAL 45 5.960 -5.405 2.901 337 HA VAL 45 HA VAL 45 4.028 -6.678 1.232 338 HB VAL 45 HB VAL 45 5.732 -8.288 0.695 339 HG11 VAL 45 1HG1 VAL 45 7.032 -5.577 1.036 340 HG12 VAL 45 2HG1 VAL 45 7.468 -6.840 -0.135 341 HG13 VAL 45 3HG1 VAL 45 5.896 -6.029 -0.260 342 HG21 VAL 45 1HG2 VAL 45 7.305 -7.191 3.051 343 HG22 VAL 45 2HG2 VAL 45 6.608 -8.824 2.896 344 HG23 VAL 45 3HG2 VAL 45 7.941 -8.324 1.836 345 H GLU 46 H GLU 46 4.915 -7.198 4.607 346 HA GLU 46 HA GLU 46 4.093 -9.987 4.628 347 HB2 GLU 46 1HB GLU 46 4.515 -7.966 6.843 348 HB3 GLU 46 2HB GLU 46 4.114 -9.673 7.109 349 HG2 GLU 46 1HG GLU 46 6.132 -10.345 5.880 350 HG3 GLU 46 2HG GLU 46 6.549 -8.642 5.631 351 H GLU 47 H GLU 47 2.592 -6.852 5.162 352 HA GLU 47 HA GLU 47 0.056 -8.114 5.949 353 HB2 GLU 47 1HB GLU 47 0.918 -5.229 5.581 354 HB3 GLU 47 2HB GLU 47 -0.708 -5.726 6.084 355 HG2 GLU 47 1HG GLU 47 0.187 -6.798 8.093 356 HG3 GLU 47 2HG GLU 47 1.844 -6.441 7.588 357 H CYS 48 H CYS 48 1.474 -6.569 3.055 358 HA CYS 48 HA CYS 48 -1.190 -6.788 1.747 359 HB2 CYS 48 1HB CYS 48 1.254 -5.174 1.000 360 HB3 CYS 48 2HB CYS 48 -0.258 -5.212 0.087 361 H CYS 49 H CYS 49 1.825 -8.481 1.581 362 HA CYS 49 HA CYS 49 1.025 -9.490 -1.134 363 HB2 CYS 49 1HB CYS 49 3.289 -8.445 -1.080 364 HB3 CYS 49 2HB CYS 49 3.782 -9.627 0.131 365 H PHE 50 H PHE 50 2.591 -10.495 1.946 366 HA PHE 50 HA PHE 50 2.005 -13.307 1.471 367 HB2 PHE 50 1HB PHE 50 2.879 -11.760 3.935 368 HB3 PHE 50 2HB PHE 50 2.607 -13.503 3.932 369 HD1 PHE 50 1HD PHE 50 4.891 -10.814 2.906 370 HD2 PHE 50 2HD PHE 50 4.047 -15.018 2.595 371 HE1 PHE 50 1HE PHE 50 7.198 -11.201 2.070 372 HE2 PHE 50 2HE PHE 50 6.358 -15.422 1.756 373 HZ PHE 50 HZ PHE 50 7.941 -13.512 1.491 374 H ARG 51 H ARG 51 0.404 -10.572 2.931 375 HA ARG 51 HA ARG 51 -2.037 -12.266 3.396 376 HB2 ARG 51 1HB ARG 51 -0.787 -10.030 4.983 377 HB3 ARG 51 2HB ARG 51 -2.536 -10.052 4.861 378 HG2 ARG 51 1HG ARG 51 -1.790 -11.067 6.886 379 HG3 ARG 51 2HG ARG 51 -2.614 -12.258 5.865 380 HD2 ARG 51 1HD ARG 51 -0.587 -13.247 5.234 381 HD3 ARG 51 2HD ARG 51 0.364 -11.906 5.893 382 HE ARG 51 HE ARG 51 -1.192 -13.134 7.958 383 HH11 ARG 51 1HH1 ARG 51 1.714 -13.666 6.047 384 HH12 ARG 51 2HH1 ARG 51 2.465 -14.653 7.275 385 HH21 ARG 51 1HH2 ARG 51 -0.186 -14.405 9.488 386 HH22 ARG 51 2HH2 ARG 51 1.399 -15.062 9.191 387 H SER 52 H SER 52 -3.973 -10.767 3.152 388 HA SER 52 HA SER 52 -3.546 -8.806 0.926 389 HB2 SER 52 1HB SER 52 -6.056 -8.829 0.835 390 HB3 SER 52 2HB SER 52 -5.346 -10.431 0.530 391 HG SER 52 HG SER 52 -6.281 -9.535 3.066 392 H CYS 53 H CYS 53 -4.156 -6.591 1.341 393 HA CYS 53 HA CYS 53 -4.768 -5.982 4.203 394 HB2 CYS 53 1HB CYS 53 -3.248 -4.104 4.133 395 HB3 CYS 53 2HB CYS 53 -2.372 -5.575 3.739 396 H ASP 54 H ASP 54 -5.657 -3.786 4.519 397 HA ASP 54 HA ASP 54 -7.571 -3.170 2.337 398 HB2 ASP 54 1HB ASP 54 -8.100 -3.359 4.905 399 HB3 ASP 54 2HB ASP 54 -7.379 -1.744 5.000 400 H LEU 55 H LEU 55 -7.652 -0.983 1.473 401 HA LEU 55 HA LEU 55 -5.070 0.180 0.982 402 HB2 LEU 55 1HB LEU 55 -6.284 1.965 -0.111 403 HB3 LEU 55 2HB LEU 55 -6.927 0.402 -0.586 404 HG LEU 55 HG LEU 55 -8.633 1.125 1.467 405 HD11 LEU 55 1HD1 LEU 55 -9.304 3.446 1.043 406 HD12 LEU 55 2HD1 LEU 55 -7.983 3.635 -0.134 407 HD13 LEU 55 3HD1 LEU 55 -7.617 3.386 1.589 408 HD21 LEU 55 1HD2 LEU 55 -9.260 0.163 -0.700 409 HD22 LEU 55 2HD2 LEU 55 -8.901 1.710 -1.507 410 HD23 LEU 55 3HD2 LEU 55 -10.240 1.599 -0.339 411 H ALA 56 H ALA 56 -7.539 0.665 3.416 412 HA ALA 56 HA ALA 56 -6.648 3.198 4.400 413 HB1 ALA 56 1HB ALA 56 -8.819 2.194 4.992 414 HB2 ALA 56 2HB ALA 56 -7.994 0.864 5.839 415 HB3 ALA 56 3HB ALA 56 -7.868 2.531 6.459 416 H LEU 57 H LEU 57 -5.795 -0.168 5.275 417 HA LEU 57 HA LEU 57 -3.929 0.521 7.347 418 HB2 LEU 57 1HB LEU 57 -5.002 -1.704 7.063 419 HB3 LEU 57 2HB LEU 57 -4.097 -1.953 5.570 420 HG LEU 57 HG LEU 57 -2.488 -1.311 7.973 421 HD11 LEU 57 1HD1 LEU 57 -4.185 -2.778 8.938 422 HD12 LEU 57 2HD1 LEU 57 -2.624 -3.618 8.832 423 HD13 LEU 57 3HD1 LEU 57 -3.906 -3.974 7.651 424 HD21 LEU 57 1HD2 LEU 57 -0.984 -3.002 7.072 425 HD22 LEU 57 2HD2 LEU 57 -1.432 -1.864 5.794 426 HD23 LEU 57 3HD2 LEU 57 -2.189 -3.467 5.859 427 H LEU 58 H LEU 58 -3.656 -0.211 3.888 428 HA LEU 58 HA LEU 58 -0.866 -0.253 3.648 429 HB2 LEU 58 1HB LEU 58 -2.889 -0.714 2.044 430 HB3 LEU 58 2HB LEU 58 -2.702 0.967 1.594 431 HG LEU 58 HG LEU 58 -0.716 -1.272 1.192 432 HD11 LEU 58 1HD1 LEU 58 -1.170 -0.771 -1.130 433 HD12 LEU 58 2HD1 LEU 58 -2.323 0.497 -0.622 434 HD13 LEU 58 3HD1 LEU 58 -2.652 -1.222 -0.250 435 HD21 LEU 58 1HD2 LEU 58 0.556 0.743 1.592 436 HD22 LEU 58 2HD2 LEU 58 -0.464 1.642 0.456 437 HD23 LEU 58 3HD2 LEU 58 0.573 0.325 -0.122 438 H GLU 59 H GLU 59 -3.123 2.519 3.413 439 HA GLU 59 HA GLU 59 -1.308 4.470 2.571 440 HB2 GLU 59 1HB GLU 59 -3.848 4.662 2.949 441 HB3 GLU 59 2HB GLU 59 -3.465 4.986 4.645 442 HG2 GLU 59 1HG GLU 59 -1.885 6.854 3.624 443 HG3 GLU 59 2HG GLU 59 -2.912 6.661 2.218 444 H THR 60 H THR 60 -1.652 3.095 5.809 445 HA THR 60 HA THR 60 -0.455 5.248 7.215 446 HB THR 60 HB THR 60 -0.311 3.779 9.100 447 HG1 THR 60 1HG THR 60 -0.861 1.626 7.293 448 HG21 THR 60 1HG2 THR 60 -2.613 4.453 8.060 449 HG22 THR 60 2HG2 THR 60 -2.587 3.123 9.251 450 HG23 THR 60 3HG2 THR 60 -2.693 2.761 7.518 451 H TYR 61 H TYR 61 1.053 2.886 5.189 452 HA TYR 61 HA TYR 61 3.702 3.096 6.417 453 HB2 TYR 61 1HB TYR 61 2.572 1.971 3.864 454 HB3 TYR 61 2HB TYR 61 4.310 2.200 4.037 455 HD1 TYR 61 1HD TYR 61 1.371 0.409 5.494 456 HD2 TYR 61 2HD TYR 61 5.659 0.781 5.388 457 HE1 TYR 61 1HE TYR 61 1.593 -1.739 6.736 458 HE2 TYR 61 2HE TYR 61 5.862 -1.370 6.618 459 HH TYR 61 HH TYR 61 3.092 -3.318 7.622 460 H CYS 62 H CYS 62 1.826 5.296 4.682 461 HA CYS 62 HA CYS 62 3.867 6.474 3.024 462 HB2 CYS 62 1HB CYS 62 1.347 6.784 2.898 463 HB3 CYS 62 2HB CYS 62 1.512 7.925 4.232 464 H ALA 63 H ALA 63 5.119 8.331 3.396 465 HA ALA 63 HA ALA 63 6.324 8.351 5.986 466 HB1 ALA 63 1HB ALA 63 7.551 8.854 3.976 467 HB2 ALA 63 2HB ALA 63 6.499 10.258 3.642 468 HB3 ALA 63 3HB ALA 63 7.588 10.273 5.056 469 H THR 64 H THR 64 3.889 10.385 4.456 470 HA THR 64 HA THR 64 3.231 11.487 7.109 471 HB THR 64 HB THR 64 2.751 13.745 5.848 472 HG1 THR 64 1HG THR 64 4.787 12.557 4.250 473 HG21 THR 64 1HG2 THR 64 5.613 12.993 6.504 474 HG22 THR 64 2HG2 THR 64 4.376 13.494 7.683 475 HG23 THR 64 3HG2 THR 64 4.934 14.636 6.435 476 HA PRO 65 HA PRO 65 -0.557 10.315 5.367 477 HB2 PRO 65 1HB PRO 65 -2.451 11.865 6.543 478 HB3 PRO 65 2HB PRO 65 -1.458 10.711 7.489 479 HG2 PRO 65 1HG PRO 65 -1.063 13.654 7.087 480 HG3 PRO 65 2HG PRO 65 -1.110 12.708 8.598 481 HD2 PRO 65 1HD PRO 65 1.216 13.403 7.410 482 HD3 PRO 65 2HD PRO 65 1.035 11.845 8.283 483 H ALA 66 H ALA 66 -2.669 11.193 4.313 484 HA ALA 66 HA ALA 66 -1.947 12.640 1.972 485 HB1 ALA 66 1HB ALA 66 -4.381 12.688 1.513 486 HB2 ALA 66 2HB ALA 66 -3.881 11.085 2.100 487 HB3 ALA 66 3HB ALA 66 -4.715 12.211 3.197 488 H LYS 67 H LYS 67 -2.223 14.780 1.358 489 HA LYS 67 HA LYS 67 -2.182 16.701 3.570 490 HB2 LYS 67 1HB LYS 67 -0.771 16.597 1.334 491 HB3 LYS 67 2HB LYS 67 -2.152 17.460 0.659 492 HG2 LYS 67 1HG LYS 67 -1.794 19.131 2.651 493 HG3 LYS 67 2HG LYS 67 -0.217 18.345 2.824 494 HD2 LYS 67 1HD LYS 67 0.190 20.220 1.443 495 HD3 LYS 67 2HD LYS 67 0.122 18.851 0.315 496 HE2 LYS 67 1HE LYS 67 -2.267 19.418 -0.182 497 HE3 LYS 67 2HE LYS 67 -2.158 20.796 0.930 498 HZ1 LYS 67 1HZ LYS 67 -0.546 20.451 -1.540 499 HZ2 LYS 67 2HZ LYS 67 -0.449 21.736 -0.509 500 HZ3 LYS 67 3HZ LYS 67 -1.831 21.469 -1.368 501 H SER 68 H SER 68 -4.769 15.343 2.972 502 HA SER 68 HA SER 68 -6.436 17.466 1.779 503 HB2 SER 68 1HB SER 68 -6.832 15.080 1.232 504 HB3 SER 68 2HB SER 68 -7.206 14.759 2.939 505 HG SER 68 HG SER 68 -9.010 15.992 2.781 506 H GLU 69 H GLU 69 -5.906 19.048 3.513 507 HA GLU 69 HA GLU 69 -6.935 18.491 6.189 508 HB2 GLU 69 1HB GLU 69 -5.007 20.066 5.726 509 HB3 GLU 69 2HB GLU 69 -6.159 21.211 5.037 510 HG2 GLU 69 1HG GLU 69 -7.422 21.216 7.239 511 HG3 GLU 69 2HG GLU 69 -6.212 20.123 7.911 Start of MODEL 9 1 HA ALA 1 HA ALA 1 -17.383 -11.879 -5.883 2 HB1 ALA 1 1HB ALA 1 -16.838 -9.957 -7.365 3 HB2 ALA 1 2HB ALA 1 -18.593 -10.088 -7.145 4 HB3 ALA 1 3HB ALA 1 -17.678 -8.849 -6.264 5 H TYR 2 H TYR 2 -15.169 -11.709 -6.217 6 HA TYR 2 HA TYR 2 -13.709 -10.651 -3.842 7 HB2 TYR 2 1HB TYR 2 -11.938 -12.258 -4.648 8 HB3 TYR 2 2HB TYR 2 -13.430 -13.018 -4.089 9 HD1 TYR 2 1HD TYR 2 -14.842 -14.300 -5.595 10 HD2 TYR 2 2HD TYR 2 -11.411 -12.185 -7.121 11 HE1 TYR 2 1HE TYR 2 -15.061 -15.500 -7.770 12 HE2 TYR 2 2HE TYR 2 -11.646 -13.396 -9.295 13 HH TYR 2 HH TYR 2 -14.231 -15.786 -9.879 14 H ARG 3 H ARG 3 -11.698 -9.564 -4.199 15 HA ARG 3 HA ARG 3 -11.625 -7.960 -6.652 16 HB2 ARG 3 1HB ARG 3 -9.830 -8.124 -4.237 17 HB3 ARG 3 2HB ARG 3 -9.559 -7.026 -5.595 18 HG2 ARG 3 1HG ARG 3 -11.649 -5.868 -5.115 19 HG3 ARG 3 2HG ARG 3 -12.008 -7.011 -3.798 20 HD2 ARG 3 1HD ARG 3 -9.942 -6.342 -2.641 21 HD3 ARG 3 2HD ARG 3 -9.568 -5.207 -3.950 22 HE ARG 3 HE ARG 3 -12.122 -4.536 -2.957 23 HH11 ARG 3 1HH1 ARG 3 -8.790 -4.526 -1.744 24 HH12 ARG 3 2HH1 ARG 3 -9.112 -3.177 -0.672 25 HH21 ARG 3 1HH2 ARG 3 -12.403 -2.820 -1.527 26 HH22 ARG 3 2HH2 ARG 3 -11.054 -2.255 -0.558 27 HA PRO 4 HA PRO 4 -9.331 -11.340 -8.514 28 HB2 PRO 4 1HB PRO 4 -8.540 -9.191 -10.475 29 HB3 PRO 4 2HB PRO 4 -9.209 -10.822 -10.789 30 HG2 PRO 4 1HG PRO 4 -10.740 -8.689 -11.042 31 HG3 PRO 4 2HG PRO 4 -11.367 -10.166 -10.243 32 HD2 PRO 4 1HD PRO 4 -10.379 -7.608 -8.975 33 HD3 PRO 4 2HD PRO 4 -11.819 -8.603 -8.592 34 H SER 5 H SER 5 -7.752 -8.147 -8.095 35 HA SER 5 HA SER 5 -5.168 -9.575 -7.647 36 HB2 SER 5 1HB SER 5 -4.040 -7.788 -8.910 37 HB3 SER 5 2HB SER 5 -5.184 -8.701 -9.918 38 HG SER 5 HG SER 5 -5.460 -6.112 -8.819 39 H GLU 6 H GLU 6 -6.615 -8.972 -5.516 40 HA GLU 6 HA GLU 6 -6.153 -6.307 -4.493 41 HB2 GLU 6 1HB GLU 6 -6.763 -7.415 -2.292 42 HB3 GLU 6 2HB GLU 6 -7.958 -7.383 -3.576 43 HG2 GLU 6 1HG GLU 6 -7.368 -9.719 -4.166 44 HG3 GLU 6 2HG GLU 6 -6.259 -9.741 -2.792 45 H THR 7 H THR 7 -4.161 -9.083 -4.736 46 HA THR 7 HA THR 7 -2.405 -8.286 -2.509 47 HB THR 7 HB THR 7 -1.006 -10.174 -3.871 48 HG1 THR 7 1HG THR 7 -2.438 -11.579 -4.842 49 HG21 THR 7 1HG2 THR 7 -1.995 -11.832 -2.365 50 HG22 THR 7 2HG2 THR 7 -3.391 -10.769 -2.071 51 HG23 THR 7 3HG2 THR 7 -1.770 -10.297 -1.501 52 H LEU 8 H LEU 8 -0.585 -7.133 -2.729 53 HA LEU 8 HA LEU 8 0.179 -6.240 -5.495 54 HB2 LEU 8 1HB LEU 8 0.073 -4.764 -2.854 55 HB3 LEU 8 2HB LEU 8 0.963 -4.168 -4.244 56 HG LEU 8 HG LEU 8 -2.003 -4.657 -4.289 57 HD11 LEU 8 1HD1 LEU 8 -0.457 -2.111 -3.737 58 HD12 LEU 8 2HD1 LEU 8 -1.472 -3.005 -2.579 59 HD13 LEU 8 3HD1 LEU 8 -2.216 -2.223 -3.988 60 HD21 LEU 8 1HD2 LEU 8 -0.950 -4.619 -6.497 61 HD22 LEU 8 2HD2 LEU 8 -0.137 -3.083 -6.095 62 HD23 LEU 8 3HD2 LEU 8 -1.910 -3.146 -6.245 63 H CYS 9 H CYS 9 2.199 -6.714 -6.042 64 HA CYS 9 HA CYS 9 4.273 -6.865 -3.920 65 HB2 CYS 9 1HB CYS 9 3.078 -9.151 -5.045 66 HB3 CYS 9 2HB CYS 9 4.593 -8.958 -5.930 67 H GLY 10 H GLY 10 6.486 -6.953 -4.918 68 HA2 GLY 10 1HA GLY 10 8.055 -6.118 -6.379 69 HA3 GLY 10 2HA GLY 10 6.927 -6.554 -7.672 70 H GLY 11 H GLY 11 7.316 -4.805 -8.979 71 HA2 GLY 11 1HA GLY 11 7.395 -2.112 -8.039 72 HA3 GLY 11 2HA GLY 11 7.156 -2.633 -9.713 73 H GLU 12 H GLU 12 4.674 -4.219 -8.802 74 HA GLU 12 HA GLU 12 2.782 -2.153 -9.378 75 HB2 GLU 12 1HB GLU 12 2.566 -4.705 -9.695 76 HB3 GLU 12 2HB GLU 12 2.160 -4.773 -7.978 77 HG2 GLU 12 1HG GLU 12 0.096 -4.722 -9.130 78 HG3 GLU 12 2HG GLU 12 0.316 -3.097 -8.465 79 H LEU 13 H LEU 13 3.932 -3.665 -6.372 80 HA LEU 13 HA LEU 13 2.041 -2.363 -4.636 81 HB2 LEU 13 1HB LEU 13 3.355 -4.327 -3.967 82 HB3 LEU 13 2HB LEU 13 4.853 -3.432 -4.146 83 HG LEU 13 HG LEU 13 4.375 -2.070 -2.237 84 HD11 LEU 13 1HD1 LEU 13 1.737 -3.539 -1.948 85 HD12 LEU 13 2HD1 LEU 13 1.914 -1.849 -2.476 86 HD13 LEU 13 3HD1 LEU 13 2.402 -2.321 -0.849 87 HD21 LEU 13 1HD2 LEU 13 4.289 -3.831 -0.488 88 HD22 LEU 13 2HD2 LEU 13 5.409 -4.221 -1.809 89 HD23 LEU 13 3HD2 LEU 13 3.812 -5.011 -1.726 90 H VAL 14 H VAL 14 5.345 -1.551 -5.790 91 HA VAL 14 HA VAL 14 5.668 0.803 -4.221 92 HB VAL 14 HB VAL 14 6.851 0.116 -6.957 93 HG11 VAL 14 1HG1 VAL 14 7.087 2.508 -6.576 94 HG12 VAL 14 2HG1 VAL 14 7.653 2.227 -4.915 95 HG13 VAL 14 3HG1 VAL 14 8.656 1.734 -6.297 96 HG21 VAL 14 1HG2 VAL 14 7.951 -0.271 -4.135 97 HG22 VAL 14 2HG2 VAL 14 7.410 -1.562 -5.234 98 HG23 VAL 14 3HG2 VAL 14 8.838 -0.592 -5.643 99 H ASP 15 H ASP 15 4.299 0.306 -7.505 100 HA ASP 15 HA ASP 15 3.871 3.053 -8.080 101 HB2 ASP 15 1HB ASP 15 3.625 0.957 -9.586 102 HB3 ASP 15 2HB ASP 15 1.979 0.850 -8.946 103 H THR 16 H THR 16 1.948 0.718 -6.188 104 HA THR 16 HA THR 16 -0.315 2.509 -5.951 105 HB THR 16 HB THR 16 0.427 0.246 -4.059 106 HG1 THR 16 1HG THR 16 0.387 -0.523 -6.211 107 HG21 THR 16 1HG2 THR 16 -2.217 1.489 -4.910 108 HG22 THR 16 2HG2 THR 16 -1.399 1.758 -3.351 109 HG23 THR 16 3HG2 THR 16 -2.002 0.140 -3.772 110 H LEU 17 H LEU 17 2.556 1.799 -3.943 111 HA LEU 17 HA LEU 17 1.782 3.415 -1.705 112 HB2 LEU 17 1HB LEU 17 4.427 2.493 -2.834 113 HB3 LEU 17 2HB LEU 17 4.342 3.549 -1.429 114 HG LEU 17 HG LEU 17 2.663 1.097 -1.339 115 HD11 LEU 17 1HD1 LEU 17 4.526 -0.266 -0.604 116 HD12 LEU 17 2HD1 LEU 17 5.658 1.043 -1.020 117 HD13 LEU 17 3HD1 LEU 17 4.698 0.243 -2.286 118 HD21 LEU 17 1HD2 LEU 17 2.759 2.776 0.509 119 HD22 LEU 17 2HD2 LEU 17 4.492 2.419 0.704 120 HD23 LEU 17 3HD2 LEU 17 3.281 1.156 1.012 121 H GLN 18 H GLN 18 3.476 4.142 -4.760 122 HA GLN 18 HA GLN 18 4.011 6.906 -4.122 123 HB2 GLN 18 1HB GLN 18 3.698 5.415 -6.750 124 HB3 GLN 18 2HB GLN 18 4.194 7.109 -6.644 125 HG2 GLN 18 1HG GLN 18 6.216 6.544 -5.503 126 HG3 GLN 18 2HG GLN 18 5.694 4.878 -5.253 127 HE21 GLN 18 1HE2 GLN 18 7.904 5.650 -8.391 128 HE22 GLN 18 2HE2 GLN 18 7.794 6.632 -6.951 129 H PHE 19 H PHE 19 1.261 5.206 -5.666 130 HA PHE 19 HA PHE 19 -0.124 7.576 -6.459 131 HB2 PHE 19 1HB PHE 19 -0.599 5.324 -7.342 132 HB3 PHE 19 2HB PHE 19 -1.187 4.816 -5.757 133 HD1 PHE 19 1HD PHE 19 -3.397 5.364 -4.992 134 HD2 PHE 19 2HD PHE 19 -1.890 7.010 -8.672 135 HE1 PHE 19 1HE PHE 19 -5.692 6.131 -5.581 136 HE2 PHE 19 2HE PHE 19 -4.182 7.783 -9.270 137 HZ PHE 19 HZ PHE 19 -6.091 7.340 -7.726 138 H VAL 20 H VAL 20 -0.454 5.556 -3.480 139 HA VAL 20 HA VAL 20 -2.617 7.170 -2.498 140 HB VAL 20 HB VAL 20 -2.244 4.755 -1.859 141 HG11 VAL 20 1HG1 VAL 20 -0.052 5.863 -0.072 142 HG12 VAL 20 2HG1 VAL 20 -0.679 4.207 -0.082 143 HG13 VAL 20 3HG1 VAL 20 0.173 4.827 -1.498 144 HG21 VAL 20 1HG2 VAL 20 -2.987 4.966 0.436 145 HG22 VAL 20 2HG2 VAL 20 -2.375 6.638 0.517 146 HG23 VAL 20 3HG2 VAL 20 -3.735 6.237 -0.556 147 H CYS 21 H CYS 21 0.871 7.523 -2.258 148 HA CYS 21 HA CYS 21 0.561 9.542 -0.094 149 HB2 CYS 21 1HB CYS 21 2.959 8.122 -1.272 150 HB3 CYS 21 2HB CYS 21 3.069 9.403 -0.053 151 H GLY 22 H GLY 22 1.332 9.441 -3.518 152 HA2 GLY 22 1HA GLY 22 1.909 11.079 -4.967 153 HA3 GLY 22 2HA GLY 22 1.351 12.248 -3.754 154 H ASP 23 H ASP 23 2.791 13.635 -3.827 155 HA ASP 23 HA ASP 23 5.578 13.328 -4.253 156 HB2 ASP 23 1HB ASP 23 3.892 15.326 -4.525 157 HB3 ASP 23 2HB ASP 23 4.385 15.725 -2.872 158 H ARG 24 H ARG 24 3.918 12.686 -1.331 159 HA ARG 24 HA ARG 24 6.100 13.769 0.340 160 HB2 ARG 24 1HB ARG 24 3.491 12.438 1.094 161 HB3 ARG 24 2HB ARG 24 4.621 13.209 2.216 162 HG2 ARG 24 1HG ARG 24 3.152 14.645 -0.052 163 HG3 ARG 24 2HG ARG 24 2.672 14.652 1.648 164 HD2 ARG 24 1HD ARG 24 3.822 16.653 1.475 165 HD3 ARG 24 2HD ARG 24 5.060 15.565 2.108 166 HE ARG 24 HE ARG 24 5.303 15.571 -0.711 167 HH11 ARG 24 1HH1 ARG 24 5.768 17.836 1.954 168 HH12 ARG 24 2HH1 ARG 24 6.986 18.737 1.091 169 HH21 ARG 24 1HH2 ARG 24 6.860 16.781 -1.763 170 HH22 ARG 24 2HH2 ARG 24 7.603 18.135 -0.945 171 H GLY 25 H GLY 25 5.487 10.759 -1.112 172 HA2 GLY 25 1HA GLY 25 6.918 8.947 -0.991 173 HA3 GLY 25 2HA GLY 25 7.777 9.725 0.338 174 H PHE 26 H PHE 26 7.701 7.233 0.661 175 HA PHE 26 HA PHE 26 5.685 6.644 2.743 176 HB2 PHE 26 1HB PHE 26 5.115 4.496 1.619 177 HB3 PHE 26 2HB PHE 26 4.594 5.900 0.688 178 HD1 PHE 26 1HD PHE 26 5.599 6.467 -1.453 179 HD2 PHE 26 2HD PHE 26 7.017 3.095 0.815 180 HE1 PHE 26 1HE PHE 26 6.877 5.680 -3.424 181 HE2 PHE 26 2HE PHE 26 8.288 2.298 -1.169 182 HZ PHE 26 HZ PHE 26 8.219 3.595 -3.287 183 H TYR 27 H TYR 27 6.177 4.477 3.757 184 HA TYR 27 HA TYR 27 9.097 3.779 3.541 185 HB2 TYR 27 1HB TYR 27 7.307 3.979 5.986 186 HB3 TYR 27 2HB TYR 27 8.895 3.209 5.990 187 HD1 TYR 27 1HD TYR 27 7.162 6.495 5.465 188 HD2 TYR 27 2HD TYR 27 10.876 4.482 6.288 189 HE1 TYR 27 1HE TYR 27 8.231 8.677 6.027 190 HE2 TYR 27 2HE TYR 27 11.933 6.675 6.841 191 HH TYR 27 HH TYR 27 10.140 9.753 6.634 192 H PHE 28 H PHE 28 9.442 1.596 3.237 193 HA PHE 28 HA PHE 28 7.185 -0.150 2.837 194 HB2 PHE 28 1HB PHE 28 10.105 -0.282 2.604 195 HB3 PHE 28 2HB PHE 28 9.415 -1.793 3.210 196 HD1 PHE 28 1HD PHE 28 8.352 0.741 0.590 197 HD2 PHE 28 2HD PHE 28 9.111 -3.390 1.545 198 HE1 PHE 28 1HE PHE 28 7.712 0.089 -1.723 199 HE2 PHE 28 2HE PHE 28 8.456 -4.047 -0.764 200 HZ PHE 28 HZ PHE 28 7.752 -2.306 -2.403 201 H SER 29 H SER 29 8.822 0.811 5.699 202 HA SER 29 HA SER 29 7.593 -1.472 7.194 203 HB2 SER 29 1HB SER 29 10.140 0.039 7.843 204 HB3 SER 29 2HB SER 29 9.433 -1.307 8.749 205 HG SER 29 HG SER 29 11.103 -1.985 7.309 206 H ARG 30 H ARG 30 6.657 1.288 6.552 207 HA ARG 30 HA ARG 30 5.501 3.022 7.485 208 HB2 ARG 30 1HB ARG 30 5.732 1.525 10.124 209 HB3 ARG 30 2HB ARG 30 4.733 2.941 9.836 210 HG2 ARG 30 1HG ARG 30 3.475 1.687 8.115 211 HG3 ARG 30 2HG ARG 30 4.426 0.247 8.494 212 HD2 ARG 30 1HD ARG 30 3.525 0.115 10.686 213 HD3 ARG 30 2HD ARG 30 2.819 1.738 10.562 214 HE ARG 30 HE ARG 30 1.102 0.923 9.152 215 HH11 ARG 30 1HH1 ARG 30 3.229 -1.744 10.114 216 HH12 ARG 30 2HH1 ARG 30 2.056 -2.939 9.612 217 HH21 ARG 30 1HH2 ARG 30 -0.293 -0.669 8.568 218 HH22 ARG 30 2HH2 ARG 30 0.132 -2.365 8.755 219 HA PRO 31 HA PRO 31 8.586 5.810 8.567 220 HB2 PRO 31 1HB PRO 31 6.727 7.291 10.414 221 HB3 PRO 31 2HB PRO 31 7.648 7.906 9.007 222 HG2 PRO 31 1HG PRO 31 5.041 7.551 8.830 223 HG3 PRO 31 2HG PRO 31 6.111 7.037 7.491 224 HD2 PRO 31 1HD PRO 31 4.870 5.360 9.663 225 HD3 PRO 31 2HD PRO 31 4.931 5.066 7.889 226 H ALA 32 H ALA 32 10.275 5.893 10.008 227 HA ALA 32 HA ALA 32 10.090 4.447 12.493 228 HB1 ALA 32 1HB ALA 32 12.417 5.239 12.840 229 HB2 ALA 32 2HB ALA 32 12.196 4.579 11.201 230 HB3 ALA 32 3HB ALA 32 12.254 6.344 11.457 231 H SER 33 H SER 33 10.213 7.880 11.603 232 HA SER 33 HA SER 33 9.842 9.815 12.778 233 HB2 SER 33 1HB SER 33 7.589 8.652 12.870 234 HB3 SER 33 2HB SER 33 8.009 8.114 14.505 235 HG SER 33 HG SER 33 6.770 10.180 14.193 236 H ARG 34 H ARG 34 9.129 9.909 15.682 237 HA ARG 34 HA ARG 34 11.622 8.923 16.976 238 HB2 ARG 34 1HB ARG 34 10.492 11.751 17.096 239 HB3 ARG 34 2HB ARG 34 11.688 11.109 18.213 240 HG2 ARG 34 1HG ARG 34 13.206 10.669 16.266 241 HG3 ARG 34 2HG ARG 34 12.047 11.548 15.245 242 HD2 ARG 34 1HD ARG 34 12.303 13.543 16.699 243 HD3 ARG 34 2HD ARG 34 13.444 12.649 17.714 244 HE ARG 34 HE ARG 34 15.093 12.803 16.057 245 HH11 ARG 34 1HH1 ARG 34 12.106 14.288 14.888 246 HH12 ARG 34 2HH1 ARG 34 12.918 15.086 13.566 247 HH21 ARG 34 1HH2 ARG 34 16.048 13.849 14.350 248 HH22 ARG 34 2HH2 ARG 34 15.105 14.840 13.271 249 H VAL 35 H VAL 35 9.147 7.663 17.037 250 HA VAL 35 HA VAL 35 8.296 8.127 19.834 251 HB VAL 35 HB VAL 35 5.922 7.639 19.162 252 HG11 VAL 35 1HG1 VAL 35 7.020 10.120 17.778 253 HG12 VAL 35 2HG1 VAL 35 5.351 9.858 18.338 254 HG13 VAL 35 3HG1 VAL 35 6.675 9.981 19.516 255 HG21 VAL 35 1HG2 VAL 35 5.203 7.816 16.826 256 HG22 VAL 35 2HG2 VAL 35 6.872 8.104 16.300 257 HG23 VAL 35 3HG2 VAL 35 6.413 6.526 16.973 258 H SER 36 H SER 36 7.089 6.125 20.526 259 HA SER 36 HA SER 36 7.793 3.692 19.001 260 HB2 SER 36 1HB SER 36 9.704 4.062 20.538 261 HB3 SER 36 2HB SER 36 8.577 4.147 21.912 262 HG SER 36 HG SER 36 9.648 2.045 21.404 263 H ARG 37 H ARG 37 6.433 1.940 19.514 264 HA ARG 37 HA ARG 37 4.271 2.415 21.492 265 HB2 ARG 37 1HB ARG 37 3.885 1.563 18.583 266 HB3 ARG 37 2HB ARG 37 2.647 1.512 19.834 267 HG2 ARG 37 1HG ARG 37 3.069 4.061 20.096 268 HG3 ARG 37 2HG ARG 37 3.885 3.939 18.524 269 HD2 ARG 37 1HD ARG 37 1.018 3.105 19.125 270 HD3 ARG 37 2HD ARG 37 1.505 4.597 18.301 271 HE ARG 37 HE ARG 37 2.654 2.480 16.857 272 HH11 ARG 37 1HH1 ARG 37 -0.616 3.595 17.604 273 HH12 ARG 37 2HH1 ARG 37 -1.282 2.905 16.148 274 HH21 ARG 37 1HH2 ARG 37 1.732 1.636 15.017 275 HH22 ARG 37 2HH2 ARG 37 0.023 1.812 14.717 276 H ARG 38 H ARG 38 3.162 0.217 21.850 277 HA ARG 38 HA ARG 38 5.248 -1.921 21.625 278 HB2 ARG 38 1HB ARG 38 2.975 -1.668 23.631 279 HB3 ARG 38 2HB ARG 38 4.239 -2.905 23.621 280 HG2 ARG 38 1HG ARG 38 5.941 -1.049 23.934 281 HG3 ARG 38 2HG ARG 38 4.583 0.073 24.137 282 HD2 ARG 38 1HD ARG 38 5.218 -0.517 26.338 283 HD3 ARG 38 2HD ARG 38 3.757 -1.458 26.005 284 HE ARG 38 HE ARG 38 5.011 -3.433 26.001 285 HH11 ARG 38 1HH1 ARG 38 7.206 -0.678 26.331 286 HH12 ARG 38 2HH1 ARG 38 8.542 -1.688 26.810 287 HH21 ARG 38 1HH2 ARG 38 6.772 -4.648 26.603 288 HH22 ARG 38 2HH2 ARG 38 8.299 -3.889 26.957 289 H SER 39 H SER 39 3.272 -1.187 19.579 290 HA SER 39 HA SER 39 1.306 -3.387 19.617 291 HB2 SER 39 1HB SER 39 0.638 -1.151 18.787 292 HB3 SER 39 2HB SER 39 1.911 -1.223 17.554 293 HG SER 39 HG SER 39 0.839 -2.975 16.602 294 HA PRO 40 HA PRO 40 4.129 -5.759 17.078 295 HB2 PRO 40 1HB PRO 40 2.445 -7.630 16.017 296 HB3 PRO 40 2HB PRO 40 2.971 -7.694 17.731 297 HG2 PRO 40 1HG PRO 40 0.425 -6.567 16.572 298 HG3 PRO 40 2HG PRO 40 0.628 -7.714 17.933 299 HD2 PRO 40 1HD PRO 40 0.269 -5.062 18.337 300 HD3 PRO 40 2HD PRO 40 1.354 -6.035 19.390 301 H GLN 41 H GLN 41 4.643 -5.771 14.809 302 HA GLN 41 HA GLN 41 2.663 -4.784 12.899 303 HB2 GLN 41 1HB GLN 41 3.989 -2.885 12.269 304 HB3 GLN 41 2HB GLN 41 3.630 -2.792 13.990 305 HG2 GLN 41 1HG GLN 41 5.917 -3.591 14.501 306 HG3 GLN 41 2HG GLN 41 6.280 -3.618 12.768 307 HE21 GLN 41 1HE2 GLN 41 7.413 -0.339 12.929 308 HE22 GLN 41 2HE2 GLN 41 7.665 -1.989 12.417 309 H ARG 42 H ARG 42 3.627 -4.702 10.680 310 HA ARG 42 HA ARG 42 6.002 -6.450 10.274 311 HB2 ARG 42 1HB ARG 42 3.255 -6.773 8.988 312 HB3 ARG 42 2HB ARG 42 4.721 -7.508 8.345 313 HG2 ARG 42 1HG ARG 42 3.547 -8.108 11.070 314 HG3 ARG 42 2HG ARG 42 3.357 -9.095 9.610 315 HD2 ARG 42 1HD ARG 42 5.869 -9.288 9.497 316 HD3 ARG 42 2HD ARG 42 5.946 -8.495 11.085 317 HE ARG 42 HE ARG 42 4.158 -10.717 11.209 318 HH11 ARG 42 1HH1 ARG 42 7.624 -10.058 11.024 319 HH12 ARG 42 2HH1 ARG 42 8.043 -11.565 11.792 320 HH21 ARG 42 1HH2 ARG 42 4.775 -12.620 12.186 321 HH22 ARG 42 2HH2 ARG 42 6.460 -12.986 12.434 322 H GLY 43 H GLY 43 6.299 -6.363 7.680 323 HA2 GLY 43 1HA GLY 43 6.334 -3.480 7.010 324 HA3 GLY 43 2HA GLY 43 7.237 -4.773 6.197 325 H ILE 44 H ILE 44 5.883 -2.979 4.681 326 HA ILE 44 HA ILE 44 3.159 -3.462 4.187 327 HB ILE 44 HB ILE 44 4.466 -1.479 3.372 328 HG12 ILE 44 1HG1 ILE 44 3.601 -1.523 0.932 329 HG13 ILE 44 2HG1 ILE 44 2.906 -3.082 1.336 330 HG21 ILE 44 1HG2 ILE 44 5.575 -3.323 1.213 331 HG22 ILE 44 2HG2 ILE 44 5.878 -1.587 1.405 332 HG23 ILE 44 3HG2 ILE 44 6.499 -2.736 2.609 333 HD11 ILE 44 1HD1 ILE 44 2.300 -0.430 2.647 334 HD12 ILE 44 2HD1 ILE 44 1.276 -1.345 1.527 335 HD13 ILE 44 3HD1 ILE 44 1.612 -2.003 3.139 336 H VAL 45 H VAL 45 5.979 -5.168 2.828 337 HA VAL 45 HA VAL 45 4.474 -6.495 0.809 338 HB VAL 45 HB VAL 45 6.899 -6.262 0.773 339 HG11 VAL 45 1HG1 VAL 45 7.419 -6.620 3.130 340 HG12 VAL 45 2HG1 VAL 45 7.042 -8.353 2.935 341 HG13 VAL 45 3HG1 VAL 45 8.410 -7.631 2.064 342 HG21 VAL 45 1HG2 VAL 45 5.847 -7.946 -0.634 343 HG22 VAL 45 2HG2 VAL 45 7.470 -8.453 -0.127 344 HG23 VAL 45 3HG2 VAL 45 6.035 -9.150 0.661 345 H GLU 46 H GLU 46 5.066 -7.305 4.242 346 HA GLU 46 HA GLU 46 4.091 -9.963 3.804 347 HB2 GLU 46 1HB GLU 46 4.410 -8.355 6.348 348 HB3 GLU 46 2HB GLU 46 3.874 -10.037 6.316 349 HG2 GLU 46 1HG GLU 46 6.015 -10.631 6.437 350 HG3 GLU 46 2HG GLU 46 6.188 -10.075 4.766 351 H GLU 47 H GLU 47 2.596 -6.877 4.661 352 HA GLU 47 HA GLU 47 0.070 -8.224 5.309 353 HB2 GLU 47 1HB GLU 47 0.745 -5.268 5.191 354 HB3 GLU 47 2HB GLU 47 -0.752 -5.985 5.820 355 HG2 GLU 47 1HG GLU 47 0.760 -7.338 7.402 356 HG3 GLU 47 2HG GLU 47 2.052 -6.225 6.945 357 H CYS 48 H CYS 48 1.441 -6.531 2.515 358 HA CYS 48 HA CYS 48 -1.242 -6.642 1.219 359 HB2 CYS 48 1HB CYS 48 1.250 -5.049 0.591 360 HB3 CYS 48 2HB CYS 48 -0.140 -5.146 -0.492 361 H CYS 49 H CYS 49 1.791 -8.341 1.019 362 HA CYS 49 HA CYS 49 0.958 -9.318 -1.695 363 HB2 CYS 49 1HB CYS 49 3.205 -8.272 -1.614 364 HB3 CYS 49 2HB CYS 49 3.703 -9.458 -0.411 365 H PHE 50 H PHE 50 2.448 -10.423 1.397 366 HA PHE 50 HA PHE 50 1.908 -13.210 0.760 367 HB2 PHE 50 1HB PHE 50 2.767 -11.790 3.291 368 HB3 PHE 50 2HB PHE 50 2.472 -13.527 3.224 369 HD1 PHE 50 1HD PHE 50 3.970 -15.037 2.066 370 HD2 PHE 50 2HD PHE 50 4.706 -10.802 2.053 371 HE1 PHE 50 1HE PHE 50 6.275 -15.442 1.208 372 HE2 PHE 50 2HE PHE 50 7.008 -11.192 1.197 373 HZ PHE 50 HZ PHE 50 7.799 -13.516 0.772 374 H ARG 51 H ARG 51 0.045 -10.617 1.961 375 HA ARG 51 HA ARG 51 -2.286 -12.423 2.146 376 HB2 ARG 51 1HB ARG 51 -1.522 -10.388 4.292 377 HB3 ARG 51 2HB ARG 51 -3.168 -11.004 4.065 378 HG2 ARG 51 1HG ARG 51 -2.169 -13.331 4.290 379 HG3 ARG 51 2HG ARG 51 -0.719 -12.526 4.924 380 HD2 ARG 51 1HD ARG 51 -3.537 -12.381 6.053 381 HD3 ARG 51 2HD ARG 51 -2.158 -13.250 6.753 382 HE ARG 51 HE ARG 51 -1.600 -10.433 6.392 383 HH11 ARG 51 1HH1 ARG 51 -3.204 -12.701 8.574 384 HH12 ARG 51 2HH1 ARG 51 -3.089 -11.621 9.937 385 HH21 ARG 51 1HH2 ARG 51 -1.504 -9.097 8.174 386 HH22 ARG 51 2HH2 ARG 51 -2.141 -9.615 9.710 387 H SER 52 H SER 52 -4.253 -10.964 1.923 388 HA SER 52 HA SER 52 -3.640 -8.848 -0.050 389 HB2 SER 52 1HB SER 52 -6.154 -8.729 -0.180 390 HB3 SER 52 2HB SER 52 -5.497 -10.345 -0.528 391 HG SER 52 HG SER 52 -6.532 -9.481 1.978 392 H CYS 53 H CYS 53 -4.356 -6.647 0.233 393 HA CYS 53 HA CYS 53 -5.128 -5.889 3.003 394 HB2 CYS 53 1HB CYS 53 -3.497 -4.176 3.139 395 HB3 CYS 53 2HB CYS 53 -2.640 -5.647 2.705 396 H ASP 54 H ASP 54 -5.432 -3.312 2.872 397 HA ASP 54 HA ASP 54 -6.954 -2.688 0.379 398 HB2 ASP 54 1HB ASP 54 -8.512 -3.326 2.233 399 HB3 ASP 54 2HB ASP 54 -7.787 -2.055 3.235 400 H LEU 55 H LEU 55 -7.164 -0.317 0.081 401 HA LEU 55 HA LEU 55 -4.687 1.030 0.357 402 HB2 LEU 55 1HB LEU 55 -5.862 3.006 -0.375 403 HB3 LEU 55 2HB LEU 55 -6.333 1.609 -1.328 404 HG LEU 55 HG LEU 55 -8.229 1.955 0.824 405 HD11 LEU 55 1HD1 LEU 55 -7.476 4.301 0.831 406 HD12 LEU 55 2HD1 LEU 55 -9.130 4.149 0.205 407 HD13 LEU 55 3HD1 LEU 55 -7.775 4.403 -0.921 408 HD21 LEU 55 1HD2 LEU 55 -8.673 0.777 -1.281 409 HD22 LEU 55 2HD2 LEU 55 -8.460 2.295 -2.189 410 HD23 LEU 55 3HD2 LEU 55 -9.814 2.111 -1.048 411 H ALA 56 H ALA 56 -7.489 0.931 2.580 412 HA ALA 56 HA ALA 56 -6.693 3.165 4.171 413 HB1 ALA 56 1HB ALA 56 -8.166 0.616 4.976 414 HB2 ALA 56 2HB ALA 56 -8.109 2.126 5.918 415 HB3 ALA 56 3HB ALA 56 -8.910 2.097 4.330 416 H LEU 57 H LEU 57 -5.862 -0.317 4.434 417 HA LEU 57 HA LEU 57 -4.208 0.014 6.785 418 HB2 LEU 57 1HB LEU 57 -5.205 -2.152 6.081 419 HB3 LEU 57 2HB LEU 57 -4.194 -2.151 4.635 420 HG LEU 57 HG LEU 57 -2.709 -1.838 7.170 421 HD11 LEU 57 1HD1 LEU 57 -2.879 -4.213 7.788 422 HD12 LEU 57 2HD1 LEU 57 -4.125 -4.449 6.538 423 HD13 LEU 57 3HD1 LEU 57 -4.444 -3.384 7.929 424 HD21 LEU 57 1HD2 LEU 57 -1.626 -2.188 4.943 425 HD22 LEU 57 2HD2 LEU 57 -2.361 -3.804 4.879 426 HD23 LEU 57 3HD2 LEU 57 -1.181 -3.415 6.141 427 H LEU 58 H LEU 58 -3.692 -0.050 3.288 428 HA LEU 58 HA LEU 58 -0.864 -0.087 3.269 429 HB2 LEU 58 1HB LEU 58 -2.716 -0.320 1.442 430 HB3 LEU 58 2HB LEU 58 -2.576 1.419 1.297 431 HG LEU 58 HG LEU 58 -0.488 -0.664 0.656 432 HD11 LEU 58 1HD1 LEU 58 -2.320 -0.348 -0.898 433 HD12 LEU 58 2HD1 LEU 58 -0.781 0.246 -1.562 434 HD13 LEU 58 3HD1 LEU 58 -1.985 1.406 -0.934 435 HD21 LEU 58 1HD2 LEU 58 0.794 1.155 1.488 436 HD22 LEU 58 2HD2 LEU 58 -0.256 2.344 0.704 437 HD23 LEU 58 3HD2 LEU 58 0.791 1.304 -0.275 438 H GLU 59 H GLU 59 -3.181 2.633 3.344 439 HA GLU 59 HA GLU 59 -1.355 4.736 3.012 440 HB2 GLU 59 1HB GLU 59 -3.834 4.856 2.939 441 HB3 GLU 59 2HB GLU 59 -3.887 4.714 4.700 442 HG2 GLU 59 1HG GLU 59 -2.754 6.839 4.959 443 HG3 GLU 59 2HG GLU 59 -2.471 6.941 3.222 444 H THR 60 H THR 60 -1.792 2.729 5.864 445 HA THR 60 HA THR 60 -0.729 4.647 7.732 446 HB THR 60 HB THR 60 -0.510 2.832 9.292 447 HG1 THR 60 1HG THR 60 -1.010 1.055 7.103 448 HG21 THR 60 1HG2 THR 60 -2.765 1.931 9.249 449 HG22 THR 60 2HG2 THR 60 -2.911 2.224 7.503 450 HG23 THR 60 3HG2 THR 60 -2.834 3.598 8.627 451 H TYR 61 H TYR 61 0.770 2.838 5.231 452 HA TYR 61 HA TYR 61 3.456 2.901 6.467 453 HB2 TYR 61 1HB TYR 61 2.379 1.996 3.785 454 HB3 TYR 61 2HB TYR 61 4.093 2.034 4.165 455 HD1 TYR 61 1HD TYR 61 0.866 0.375 5.003 456 HD2 TYR 61 2HD TYR 61 5.109 0.447 5.667 457 HE1 TYR 61 1HE TYR 61 0.749 -1.874 6.073 458 HE2 TYR 61 2HE TYR 61 4.969 -1.765 6.782 459 HH TYR 61 HH TYR 61 1.908 -3.518 7.187 460 H CYS 62 H CYS 62 1.454 5.100 4.921 461 HA CYS 62 HA CYS 62 3.297 6.415 3.172 462 HB2 CYS 62 1HB CYS 62 0.714 6.660 3.488 463 HB3 CYS 62 2HB CYS 62 1.145 7.876 4.695 464 H ALA 63 H ALA 63 4.408 8.432 3.458 465 HA ALA 63 HA ALA 63 5.880 8.516 5.926 466 HB1 ALA 63 1HB ALA 63 5.676 10.485 3.631 467 HB2 ALA 63 2HB ALA 63 6.905 10.530 4.918 468 HB3 ALA 63 3HB ALA 63 6.850 9.158 3.785 469 H THR 64 H THR 64 3.144 10.391 4.655 470 HA THR 64 HA THR 64 2.927 11.746 7.305 471 HB THR 64 HB THR 64 2.101 13.784 5.986 472 HG1 THR 64 1HG THR 64 1.885 12.635 3.979 473 HG21 THR 64 1HG2 THR 64 4.321 14.646 5.578 474 HG22 THR 64 2HG2 THR 64 4.995 13.002 5.533 475 HG23 THR 64 3HG2 THR 64 4.331 13.651 7.055 476 HA PRO 65 HA PRO 65 -1.304 10.672 6.723 477 HB2 PRO 65 1HB PRO 65 -2.617 12.324 8.402 478 HB3 PRO 65 2HB PRO 65 -1.452 11.119 9.025 479 HG2 PRO 65 1HG PRO 65 -1.070 14.037 8.484 480 HG3 PRO 65 2HG PRO 65 -0.645 13.087 9.930 481 HD2 PRO 65 1HD PRO 65 1.134 13.724 7.919 482 HD3 PRO 65 2HD PRO 65 1.314 12.267 8.948 483 H ALA 66 H ALA 66 -3.507 11.711 6.316 484 HA ALA 66 HA ALA 66 -3.268 13.517 4.035 485 HB1 ALA 66 1HB ALA 66 -5.741 13.205 3.911 486 HB2 ALA 66 2HB ALA 66 -4.868 11.653 3.980 487 HB3 ALA 66 3HB ALA 66 -5.683 12.286 5.436 488 H LYS 67 H LYS 67 -4.124 15.600 3.879 489 HA LYS 67 HA LYS 67 -5.409 16.779 6.279 490 HB2 LYS 67 1HB LYS 67 -2.993 17.404 6.428 491 HB3 LYS 67 2HB LYS 67 -3.089 18.081 4.795 492 HG2 LYS 67 1HG LYS 67 -4.847 19.679 5.614 493 HG3 LYS 67 2HG LYS 67 -4.578 19.069 7.258 494 HD2 LYS 67 1HD LYS 67 -2.217 19.781 7.126 495 HD3 LYS 67 2HD LYS 67 -2.488 20.360 5.467 496 HE2 LYS 67 1HE LYS 67 -4.236 21.921 6.325 497 HE3 LYS 67 2HE LYS 67 -3.868 21.392 7.978 498 HZ1 LYS 67 1HZ LYS 67 -1.957 22.711 6.134 499 HZ2 LYS 67 2HZ LYS 67 -1.614 22.224 7.672 500 HZ3 LYS 67 3HZ LYS 67 -2.706 23.432 7.415 501 H SER 68 H SER 68 -7.324 17.451 5.506 502 HA SER 68 HA SER 68 -7.317 19.052 3.009 503 HB2 SER 68 1HB SER 68 -8.000 16.740 2.368 504 HB3 SER 68 2HB SER 68 -9.304 16.813 3.574 505 HG SER 68 HG SER 68 -10.042 17.394 1.491 506 H GLU 69 H GLU 69 -8.082 20.937 3.562 507 HA GLU 69 HA GLU 69 -10.585 21.372 4.866 508 HB2 GLU 69 1HB GLU 69 -9.842 22.575 6.887 509 HB3 GLU 69 2HB GLU 69 -9.399 20.876 6.968 510 HG2 GLU 69 1HG GLU 69 -7.051 21.452 6.270 511 HG3 GLU 69 2HG GLU 69 -7.494 23.161 6.229 Start of MODEL 10 1 HA ALA 1 HA ALA 1 -7.380 -15.921 -12.270 2 HB1 ALA 1 1HB ALA 1 -9.751 -16.014 -13.044 3 HB2 ALA 1 2HB ALA 1 -10.305 -15.595 -11.413 4 HB3 ALA 1 3HB ALA 1 -9.369 -14.425 -12.357 5 H TYR 2 H TYR 2 -6.750 -13.983 -11.473 6 HA TYR 2 HA TYR 2 -6.259 -13.947 -8.591 7 HB2 TYR 2 1HB TYR 2 -5.593 -11.998 -10.821 8 HB3 TYR 2 2HB TYR 2 -5.143 -11.753 -9.128 9 HD1 TYR 2 1HD TYR 2 -3.545 -13.339 -7.999 10 HD2 TYR 2 2HD TYR 2 -4.332 -13.533 -12.229 11 HE1 TYR 2 1HE TYR 2 -1.496 -14.727 -8.325 12 HE2 TYR 2 2HE TYR 2 -2.280 -14.921 -12.540 13 HH TYR 2 HH TYR 2 -0.485 -15.919 -11.525 14 H ARG 3 H ARG 3 -6.923 -12.259 -7.167 15 HA ARG 3 HA ARG 3 -9.660 -11.353 -7.659 16 HB2 ARG 3 1HB ARG 3 -7.681 -10.881 -5.381 17 HB3 ARG 3 2HB ARG 3 -9.326 -10.243 -5.414 18 HG2 ARG 3 1HG ARG 3 -9.782 -12.099 -4.203 19 HG3 ARG 3 2HG ARG 3 -9.918 -12.850 -5.798 20 HD2 ARG 3 1HD ARG 3 -7.201 -12.800 -4.507 21 HD3 ARG 3 2HD ARG 3 -8.421 -13.874 -3.804 22 HE ARG 3 HE ARG 3 -8.431 -14.327 -6.593 23 HH11 ARG 3 1HH1 ARG 3 -6.226 -14.824 -3.873 24 HH12 ARG 3 2HH1 ARG 3 -5.454 -16.189 -4.633 25 HH21 ARG 3 1HH2 ARG 3 -7.395 -16.069 -7.502 26 HH22 ARG 3 2HH2 ARG 3 -6.114 -16.889 -6.635 27 HA PRO 4 HA PRO 4 -8.629 -7.737 -9.801 28 HB2 PRO 4 1HB PRO 4 -10.337 -6.161 -7.859 29 HB3 PRO 4 2HB PRO 4 -10.358 -6.165 -9.650 30 HG2 PRO 4 1HG PRO 4 -12.209 -7.473 -8.310 31 HG3 PRO 4 2HG PRO 4 -11.445 -8.208 -9.753 32 HD2 PRO 4 1HD PRO 4 -10.944 -8.792 -6.842 33 HD3 PRO 4 2HD PRO 4 -11.061 -9.909 -8.241 34 H SER 5 H SER 5 -8.743 -6.684 -6.316 35 HA SER 5 HA SER 5 -5.939 -5.886 -6.523 36 HB2 SER 5 1HB SER 5 -7.218 -3.943 -7.504 37 HB3 SER 5 2HB SER 5 -8.032 -3.752 -5.939 38 HG SER 5 HG SER 5 -5.967 -3.434 -5.002 39 H GLU 6 H GLU 6 -7.295 -7.781 -4.992 40 HA GLU 6 HA GLU 6 -7.686 -6.710 -2.278 41 HB2 GLU 6 1HB GLU 6 -7.487 -9.521 -3.419 42 HB3 GLU 6 2HB GLU 6 -7.674 -9.200 -1.692 43 HG2 GLU 6 1HG GLU 6 -9.605 -8.184 -3.780 44 HG3 GLU 6 2HG GLU 6 -9.792 -9.731 -2.941 45 H THR 7 H THR 7 -5.201 -8.255 -4.206 46 HA THR 7 HA THR 7 -3.276 -7.947 -1.946 47 HB THR 7 HB THR 7 -2.020 -9.857 -3.077 48 HG1 THR 7 1HG THR 7 -3.212 -9.703 -5.068 49 HG21 THR 7 1HG2 THR 7 -4.809 -10.531 -2.052 50 HG22 THR 7 2HG2 THR 7 -3.380 -10.216 -1.033 51 HG23 THR 7 3HG2 THR 7 -3.407 -11.626 -2.113 52 H LEU 8 H LEU 8 -1.382 -7.023 -2.396 53 HA LEU 8 HA LEU 8 -0.884 -6.073 -5.192 54 HB2 LEU 8 1HB LEU 8 -0.646 -4.601 -2.551 55 HB3 LEU 8 2HB LEU 8 0.039 -4.022 -4.059 56 HG LEU 8 HG LEU 8 -2.907 -4.481 -3.676 57 HD11 LEU 8 1HD1 LEU 8 -2.149 -2.833 -2.063 58 HD12 LEU 8 2HD1 LEU 8 -3.056 -2.042 -3.368 59 HD13 LEU 8 3HD1 LEU 8 -1.279 -1.952 -3.344 60 HD21 LEU 8 1HD2 LEU 8 -1.313 -2.891 -5.707 61 HD22 LEU 8 2HD2 LEU 8 -3.087 -3.034 -5.646 62 HD23 LEU 8 3HD2 LEU 8 -2.096 -4.466 -6.002 63 H CYS 9 H CYS 9 1.062 -6.666 -5.870 64 HA CYS 9 HA CYS 9 3.172 -7.196 -3.818 65 HB2 CYS 9 1HB CYS 9 1.916 -9.188 -5.201 66 HB3 CYS 9 2HB CYS 9 3.281 -8.842 -6.273 67 H GLY 10 H GLY 10 5.283 -7.753 -5.544 68 HA2 GLY 10 1HA GLY 10 6.398 -5.331 -5.976 69 HA3 GLY 10 2HA GLY 10 6.797 -6.730 -6.970 70 H GLY 11 H GLY 11 6.482 -3.676 -7.337 71 HA2 GLY 11 1HA GLY 11 6.084 -2.435 -9.273 72 HA3 GLY 11 2HA GLY 11 5.270 -3.831 -9.997 73 H GLU 12 H GLU 12 3.102 -4.417 -8.886 74 HA GLU 12 HA GLU 12 1.384 -2.177 -9.245 75 HB2 GLU 12 1HB GLU 12 0.873 -4.679 -9.463 76 HB3 GLU 12 2HB GLU 12 0.700 -4.703 -7.707 77 HG2 GLU 12 1HG GLU 12 -1.494 -4.461 -8.517 78 HG3 GLU 12 2HG GLU 12 -1.033 -2.833 -8.005 79 H LEU 13 H LEU 13 2.641 -3.720 -6.291 80 HA LEU 13 HA LEU 13 1.089 -2.211 -4.419 81 HB2 LEU 13 1HB LEU 13 2.348 -4.240 -3.844 82 HB3 LEU 13 2HB LEU 13 3.866 -3.451 -4.228 83 HG LEU 13 HG LEU 13 3.714 -2.033 -2.309 84 HD11 LEU 13 1HD1 LEU 13 1.281 -1.640 -2.233 85 HD12 LEU 13 2HD1 LEU 13 1.907 -2.177 -0.674 86 HD13 LEU 13 3HD1 LEU 13 1.033 -3.323 -1.711 87 HD21 LEU 13 1HD2 LEU 13 4.642 -4.279 -2.012 88 HD22 LEU 13 2HD2 LEU 13 3.021 -4.912 -1.623 89 HD23 LEU 13 3HD2 LEU 13 3.812 -3.743 -0.541 90 H VAL 14 H VAL 14 4.245 -1.624 -6.003 91 HA VAL 14 HA VAL 14 4.912 0.700 -4.485 92 HB VAL 14 HB VAL 14 5.761 -0.059 -7.323 93 HG11 VAL 14 1HG1 VAL 14 7.746 1.378 -6.838 94 HG12 VAL 14 2HG1 VAL 14 6.232 2.300 -6.874 95 HG13 VAL 14 3HG1 VAL 14 6.979 1.883 -5.314 96 HG21 VAL 14 1HG2 VAL 14 7.799 -0.976 -6.210 97 HG22 VAL 14 2HG2 VAL 14 7.068 -0.641 -4.622 98 HG23 VAL 14 3HG2 VAL 14 6.330 -1.837 -5.711 99 H ASP 15 H ASP 15 3.191 0.214 -7.593 100 HA ASP 15 HA ASP 15 2.811 2.980 -8.163 101 HB2 ASP 15 1HB ASP 15 2.373 0.980 -9.679 102 HB3 ASP 15 2HB ASP 15 0.850 0.750 -8.808 103 H THR 16 H THR 16 1.043 0.732 -6.040 104 HA THR 16 HA THR 16 -1.146 2.584 -5.605 105 HB THR 16 HB THR 16 -0.271 0.324 -3.764 106 HG1 THR 16 1HG THR 16 -0.563 -0.418 -5.935 107 HG21 THR 16 1HG2 THR 16 -2.941 1.658 -4.352 108 HG22 THR 16 2HG2 THR 16 -1.956 1.881 -2.883 109 HG23 THR 16 3HG2 THR 16 -2.670 0.295 -3.246 110 H LEU 17 H LEU 17 1.885 1.801 -3.866 111 HA LEU 17 HA LEU 17 1.376 3.460 -1.586 112 HB2 LEU 17 1HB LEU 17 3.882 2.478 -2.961 113 HB3 LEU 17 2HB LEU 17 3.945 3.534 -1.555 114 HG LEU 17 HG LEU 17 2.250 1.114 -1.298 115 HD11 LEU 17 1HD1 LEU 17 5.262 1.004 -1.279 116 HD12 LEU 17 2HD1 LEU 17 4.163 0.233 -2.449 117 HD13 LEU 17 3HD1 LEU 17 4.148 -0.285 -0.761 118 HD21 LEU 17 1HD2 LEU 17 4.305 2.385 0.551 119 HD22 LEU 17 2HD2 LEU 17 3.085 1.164 0.975 120 HD23 LEU 17 3HD2 LEU 17 2.575 2.801 0.521 121 H GLN 18 H GLN 18 2.816 4.066 -4.802 122 HA GLN 18 HA GLN 18 3.488 6.824 -4.309 123 HB2 GLN 18 1HB GLN 18 2.909 5.254 -6.842 124 HB3 GLN 18 2HB GLN 18 3.445 6.939 -6.848 125 HG2 GLN 18 1HG GLN 18 5.549 6.377 -5.860 126 HG3 GLN 18 2HG GLN 18 5.019 4.734 -5.494 127 HE21 GLN 18 1HE2 GLN 18 6.979 5.320 -8.829 128 HE22 GLN 18 2HE2 GLN 18 7.007 6.361 -7.428 129 H PHE 19 H PHE 19 0.516 5.197 -5.483 130 HA PHE 19 HA PHE 19 -0.832 7.637 -6.170 131 HB2 PHE 19 1HB PHE 19 -1.549 5.445 -6.993 132 HB3 PHE 19 2HB PHE 19 -1.923 4.922 -5.349 133 HD1 PHE 19 1HD PHE 19 -3.982 5.489 -4.278 134 HD2 PHE 19 2HD PHE 19 -2.932 7.284 -8.046 135 HE1 PHE 19 1HE PHE 19 -6.295 6.388 -4.486 136 HE2 PHE 19 2HE PHE 19 -5.245 8.190 -8.263 137 HZ PHE 19 HZ PHE 19 -6.932 7.741 -6.482 138 H VAL 20 H VAL 20 -0.992 5.601 -3.182 139 HA VAL 20 HA VAL 20 -2.936 7.327 -1.982 140 HB VAL 20 HB VAL 20 -2.619 4.883 -1.413 141 HG11 VAL 20 1HG1 VAL 20 -0.960 4.244 0.232 142 HG12 VAL 20 2HG1 VAL 20 -0.171 4.874 -1.217 143 HG13 VAL 20 3HG1 VAL 20 -0.274 5.878 0.246 144 HG21 VAL 20 1HG2 VAL 20 -3.960 6.404 -0.003 145 HG22 VAL 20 2HG2 VAL 20 -3.185 5.106 0.934 146 HG23 VAL 20 3HG2 VAL 20 -2.514 6.756 0.972 147 H CYS 21 H CYS 21 0.585 7.416 -2.008 148 HA CYS 21 HA CYS 21 0.613 9.478 0.129 149 HB2 CYS 21 1HB CYS 21 2.813 8.065 -1.411 150 HB3 CYS 21 2HB CYS 21 3.092 9.305 -0.178 151 H GLY 22 H GLY 22 0.793 9.281 -3.363 152 HA2 GLY 22 1HA GLY 22 1.153 10.871 -4.948 153 HA3 GLY 22 2HA GLY 22 0.928 12.103 -3.679 154 H ASP 23 H ASP 23 2.504 13.336 -3.929 155 HA ASP 23 HA ASP 23 5.224 12.607 -4.606 156 HB2 ASP 23 1HB ASP 23 3.962 14.714 -5.240 157 HB3 ASP 23 2HB ASP 23 4.131 15.242 -3.560 158 H ARG 24 H ARG 24 3.787 12.025 -1.714 159 HA ARG 24 HA ARG 24 5.847 13.334 -0.054 160 HB2 ARG 24 1HB ARG 24 3.422 11.710 0.723 161 HB3 ARG 24 2HB ARG 24 4.471 12.599 1.825 162 HG2 ARG 24 1HG ARG 24 2.799 13.866 -0.396 163 HG3 ARG 24 2HG ARG 24 2.370 13.821 1.317 164 HD2 ARG 24 1HD ARG 24 3.296 15.938 1.110 165 HD3 ARG 24 2HD ARG 24 4.655 14.982 1.713 166 HE ARG 24 HE ARG 24 4.712 15.064 -1.155 167 HH11 ARG 24 1HH1 ARG 24 5.433 17.078 1.646 168 HH12 ARG 24 2HH1 ARG 24 6.631 18.006 0.783 169 HH21 ARG 24 1HH2 ARG 24 6.255 16.304 -2.209 170 HH22 ARG 24 2HH2 ARG 24 7.078 17.572 -1.341 171 H GLY 25 H GLY 25 5.505 10.209 -1.414 172 HA2 GLY 25 1HA GLY 25 7.077 8.509 -1.232 173 HA3 GLY 25 2HA GLY 25 7.913 9.431 0.021 174 H PHE 26 H PHE 26 7.907 6.858 0.428 175 HA PHE 26 HA PHE 26 6.135 6.362 2.717 176 HB2 PHE 26 1HB PHE 26 5.310 4.221 1.648 177 HB3 PHE 26 2HB PHE 26 4.641 5.694 0.952 178 HD1 PHE 26 1HD PHE 26 6.998 2.889 0.356 179 HD2 PHE 26 2HD PHE 26 5.119 6.383 -1.312 180 HE1 PHE 26 1HE PHE 26 7.764 2.218 -1.911 181 HE2 PHE 26 2HE PHE 26 5.895 5.731 -3.568 182 HZ PHE 26 HZ PHE 26 7.213 3.646 -3.876 183 H TYR 27 H TYR 27 6.614 4.067 3.553 184 HA TYR 27 HA TYR 27 9.433 3.283 2.891 185 HB2 TYR 27 1HB TYR 27 8.088 3.360 5.621 186 HB3 TYR 27 2HB TYR 27 9.696 2.698 5.288 187 HD1 TYR 27 1HD TYR 27 7.723 5.788 5.728 188 HD2 TYR 27 2HD TYR 27 11.584 4.203 4.660 189 HE1 TYR 27 1HE TYR 27 8.742 8.054 6.001 190 HE2 TYR 27 2HE TYR 27 12.586 6.465 4.944 191 HH TYR 27 HH TYR 27 12.224 8.645 5.473 192 H PHE 28 H PHE 28 9.863 1.001 3.099 193 HA PHE 28 HA PHE 28 7.434 -0.579 2.537 194 HB2 PHE 28 1HB PHE 28 10.138 -0.613 1.669 195 HB3 PHE 28 2HB PHE 28 9.862 -2.130 2.534 196 HD1 PHE 28 1HD PHE 28 8.012 0.037 0.026 197 HD2 PHE 28 2HD PHE 28 9.127 -3.940 1.256 198 HE1 PHE 28 1HE PHE 28 6.879 -0.896 -1.978 199 HE2 PHE 28 2HE PHE 28 7.994 -4.877 -0.752 200 HZ PHE 28 HZ PHE 28 6.878 -3.354 -2.382 201 H SER 29 H SER 29 9.363 0.192 5.202 202 HA SER 29 HA SER 29 8.273 -2.124 6.741 203 HB2 SER 29 1HB SER 29 10.353 -2.063 8.094 204 HB3 SER 29 2HB SER 29 10.670 -2.485 6.407 205 HG SER 29 HG SER 29 10.936 0.156 7.455 206 H ARG 30 H ARG 30 8.057 -1.617 9.063 207 HA ARG 30 HA ARG 30 6.846 0.899 9.464 208 HB2 ARG 30 1HB ARG 30 7.801 -1.084 11.524 209 HB3 ARG 30 2HB ARG 30 6.793 0.319 11.881 210 HG2 ARG 30 1HG ARG 30 6.041 -1.936 10.020 211 HG3 ARG 30 2HG ARG 30 5.540 -1.789 11.718 212 HD2 ARG 30 1HD ARG 30 4.559 0.455 11.183 213 HD3 ARG 30 2HD ARG 30 4.938 0.173 9.477 214 HE ARG 30 HE ARG 30 3.344 -1.969 10.514 215 HH11 ARG 30 1HH1 ARG 30 3.138 1.375 9.413 216 HH12 ARG 30 2HH1 ARG 30 1.460 1.219 8.961 217 HH21 ARG 30 1HH2 ARG 30 1.170 -2.073 9.919 218 HH22 ARG 30 2HH2 ARG 30 0.384 -0.670 9.236 219 HA PRO 31 HA PRO 31 10.581 2.560 11.686 220 HB2 PRO 31 1HB PRO 31 13.025 1.387 11.206 221 HB3 PRO 31 2HB PRO 31 11.983 1.003 12.604 222 HG2 PRO 31 1HG PRO 31 12.243 -0.484 9.973 223 HG3 PRO 31 2HG PRO 31 12.229 -1.155 11.632 224 HD2 PRO 31 1HD PRO 31 10.060 -1.147 10.045 225 HD3 PRO 31 2HD PRO 31 9.950 -0.935 11.816 226 H ALA 32 H ALA 32 11.045 4.285 10.609 227 HA ALA 32 HA ALA 32 11.213 4.278 7.708 228 HB1 ALA 32 1HB ALA 32 11.499 6.492 9.792 229 HB2 ALA 32 2HB ALA 32 11.487 6.761 8.038 230 HB3 ALA 32 3HB ALA 32 10.046 6.090 8.837 231 H SER 33 H SER 33 13.404 4.856 10.409 232 HA SER 33 HA SER 33 15.667 5.103 10.595 233 HB2 SER 33 1HB SER 33 15.523 2.835 9.409 234 HB3 SER 33 2HB SER 33 15.940 3.699 7.917 235 HG SER 33 HG SER 33 17.707 2.750 9.249 236 H ARG 34 H ARG 34 17.686 5.596 8.725 237 HA ARG 34 HA ARG 34 16.745 7.820 7.018 238 HB2 ARG 34 1HB ARG 34 17.798 8.331 9.595 239 HB3 ARG 34 2HB ARG 34 19.076 8.754 8.453 240 HG2 ARG 34 1HG ARG 34 17.249 10.030 7.150 241 HG3 ARG 34 2HG ARG 34 16.244 9.819 8.595 242 HD2 ARG 34 1HD ARG 34 17.243 11.946 8.800 243 HD3 ARG 34 2HD ARG 34 18.148 10.889 9.906 244 HE ARG 34 HE ARG 34 19.473 10.831 7.417 245 HH11 ARG 34 1HH1 ARG 34 18.794 13.251 9.900 246 HH12 ARG 34 2HH1 ARG 34 20.217 14.182 9.514 247 HH21 ARG 34 1HH2 ARG 34 21.265 12.069 6.984 248 HH22 ARG 34 2HH2 ARG 34 21.587 13.522 7.892 249 H VAL 35 H VAL 35 17.966 5.109 6.779 250 HA VAL 35 HA VAL 35 20.141 5.863 4.929 251 HB VAL 35 HB VAL 35 21.390 3.765 5.575 252 HG11 VAL 35 1HG1 VAL 35 21.123 5.724 7.885 253 HG12 VAL 35 2HG1 VAL 35 22.499 4.647 7.549 254 HG13 VAL 35 3HG1 VAL 35 22.113 5.972 6.429 255 HG21 VAL 35 1HG2 VAL 35 20.958 2.647 7.711 256 HG22 VAL 35 2HG2 VAL 35 19.607 3.745 8.056 257 HG23 VAL 35 3HG2 VAL 35 19.491 2.585 6.712 258 H SER 36 H SER 36 20.394 4.084 3.358 259 HA SER 36 HA SER 36 17.922 2.440 3.048 260 HB2 SER 36 1HB SER 36 17.929 4.338 1.438 261 HB3 SER 36 2HB SER 36 19.534 3.834 0.865 262 HG SER 36 HG SER 36 17.644 3.067 -0.364 263 H ARG 37 H ARG 37 18.356 0.423 1.922 264 HA ARG 37 HA ARG 37 21.222 -0.397 1.879 265 HB2 ARG 37 1HB ARG 37 18.920 -1.847 3.256 266 HB3 ARG 37 2HB ARG 37 20.474 -2.588 2.882 267 HG2 ARG 37 1HG ARG 37 21.598 -0.852 4.307 268 HG3 ARG 37 2HG ARG 37 19.989 -0.281 4.801 269 HD2 ARG 37 1HD ARG 37 19.456 -2.519 5.682 270 HD3 ARG 37 2HD ARG 37 21.028 -3.127 5.126 271 HE ARG 37 HE ARG 37 21.431 -0.883 6.841 272 HH11 ARG 37 1HH1 ARG 37 20.494 -4.285 7.027 273 HH12 ARG 37 2HH1 ARG 37 21.089 -4.455 8.657 274 HH21 ARG 37 1HH2 ARG 37 22.170 -1.183 8.922 275 HH22 ARG 37 2HH2 ARG 37 22.018 -2.731 9.705 276 H ARG 38 H ARG 38 21.572 -2.199 0.460 277 HA ARG 38 HA ARG 38 19.712 -2.260 -1.802 278 HB2 ARG 38 1HB ARG 38 22.240 -3.867 -1.233 279 HB3 ARG 38 2HB ARG 38 21.346 -3.867 -2.760 280 HG2 ARG 38 1HG ARG 38 21.786 -1.414 -2.976 281 HG3 ARG 38 2HG ARG 38 22.783 -1.493 -1.510 282 HD2 ARG 38 1HD ARG 38 24.250 -3.170 -2.633 283 HD3 ARG 38 2HD ARG 38 23.261 -3.025 -4.095 284 HE ARG 38 HE ARG 38 24.143 -0.889 -4.516 285 HH11 ARG 38 1HH1 ARG 38 25.514 -2.163 -1.516 286 HH12 ARG 38 2HH1 ARG 38 26.775 -0.960 -1.479 287 HH21 ARG 38 1HH2 ARG 38 25.772 0.612 -4.385 288 HH22 ARG 38 2HH2 ARG 38 26.918 0.574 -3.073 289 H SER 39 H SER 39 20.092 -3.946 1.144 290 HA SER 39 HA SER 39 18.923 -6.463 0.303 291 HB2 SER 39 1HB SER 39 19.071 -5.227 3.080 292 HB3 SER 39 2HB SER 39 18.875 -6.949 2.686 293 HG SER 39 HG SER 39 20.963 -6.972 1.885 294 HA PRO 40 HA PRO 40 14.784 -4.901 0.381 295 HB2 PRO 40 1HB PRO 40 13.311 -7.173 0.717 296 HB3 PRO 40 2HB PRO 40 14.222 -6.846 -0.795 297 HG2 PRO 40 1HG PRO 40 15.057 -8.489 1.588 298 HG3 PRO 40 2HG PRO 40 15.034 -8.953 -0.144 299 HD2 PRO 40 1HD PRO 40 17.286 -8.094 1.046 300 HD3 PRO 40 2HD PRO 40 16.892 -7.618 -0.644 301 H GLN 41 H GLN 41 12.780 -4.868 1.746 302 HA GLN 41 HA GLN 41 13.401 -5.271 4.648 303 HB2 GLN 41 1HB GLN 41 11.770 -3.075 3.320 304 HB3 GLN 41 2HB GLN 41 11.948 -3.309 5.057 305 HG2 GLN 41 1HG GLN 41 14.376 -2.874 4.858 306 HG3 GLN 41 2HG GLN 41 14.162 -2.571 3.124 307 HE21 GLN 41 1HE2 GLN 41 13.790 0.481 5.561 308 HE22 GLN 41 2HE2 GLN 41 14.742 -0.962 5.807 309 H ARG 42 H ARG 42 11.325 -5.466 5.939 310 HA ARG 42 HA ARG 42 9.231 -6.877 4.336 311 HB2 ARG 42 1HB ARG 42 8.879 -8.369 6.159 312 HB3 ARG 42 2HB ARG 42 10.607 -8.378 5.829 313 HG2 ARG 42 1HG ARG 42 11.034 -6.974 7.789 314 HG3 ARG 42 2HG ARG 42 9.295 -6.741 8.041 315 HD2 ARG 42 1HD ARG 42 9.948 -8.367 9.605 316 HD3 ARG 42 2HD ARG 42 9.074 -9.224 8.326 317 HE ARG 42 HE ARG 42 11.905 -9.222 7.821 318 HH11 ARG 42 1HH1 ARG 42 9.445 -10.820 9.773 319 HH12 ARG 42 2HH1 ARG 42 10.419 -12.247 10.008 320 HH21 ARG 42 1HH2 ARG 42 13.093 -11.085 8.147 321 HH22 ARG 42 2HH2 ARG 42 12.443 -12.394 9.093 322 H GLY 43 H GLY 43 7.043 -6.701 5.323 323 HA2 GLY 43 1HA GLY 43 5.957 -5.379 7.272 324 HA3 GLY 43 2HA GLY 43 6.713 -3.984 6.487 325 H ILE 44 H ILE 44 5.932 -3.223 4.481 326 HA ILE 44 HA ILE 44 3.112 -3.428 4.204 327 HB ILE 44 HB ILE 44 4.449 -1.472 3.403 328 HG12 ILE 44 1HG1 ILE 44 3.438 -1.301 1.046 329 HG13 ILE 44 2HG1 ILE 44 2.755 -2.893 1.323 330 HG21 ILE 44 1HG2 ILE 44 6.350 -2.824 2.420 331 HG22 ILE 44 2HG2 ILE 44 5.298 -3.211 1.047 332 HG23 ILE 44 3HG2 ILE 44 5.744 -1.526 1.377 333 HD11 ILE 44 1HD1 ILE 44 1.498 -2.014 3.234 334 HD12 ILE 44 2HD1 ILE 44 2.199 -0.401 2.921 335 HD13 ILE 44 3HD1 ILE 44 1.151 -1.162 1.714 336 H VAL 45 H VAL 45 5.712 -5.179 2.516 337 HA VAL 45 HA VAL 45 4.002 -6.422 0.594 338 HB VAL 45 HB VAL 45 6.407 -6.278 0.342 339 HG11 VAL 45 1HG1 VAL 45 6.709 -8.297 2.551 340 HG12 VAL 45 2HG1 VAL 45 8.009 -7.634 1.539 341 HG13 VAL 45 3HG1 VAL 45 7.134 -6.564 2.646 342 HG21 VAL 45 1HG2 VAL 45 5.210 -7.992 -0.915 343 HG22 VAL 45 2HG2 VAL 45 6.877 -8.484 -0.553 344 HG23 VAL 45 3HG2 VAL 45 5.531 -9.158 0.391 345 H GLU 46 H GLU 46 4.841 -7.226 3.931 346 HA GLU 46 HA GLU 46 3.858 -9.896 3.682 347 HB2 GLU 46 1HB GLU 46 4.316 -8.172 6.148 348 HB3 GLU 46 2HB GLU 46 3.967 -9.903 6.191 349 HG2 GLU 46 1HG GLU 46 6.047 -10.381 4.988 350 HG3 GLU 46 2HG GLU 46 6.387 -8.646 4.853 351 H GLU 47 H GLU 47 2.542 -6.767 4.563 352 HA GLU 47 HA GLU 47 0.001 -7.851 5.488 353 HB2 GLU 47 1HB GLU 47 1.307 -5.233 5.290 354 HB3 GLU 47 2HB GLU 47 -0.399 -5.179 4.822 355 HG2 GLU 47 1HG GLU 47 -0.452 -4.767 7.117 356 HG3 GLU 47 2HG GLU 47 -0.864 -6.475 6.992 357 H CYS 48 H CYS 48 1.199 -6.431 2.424 358 HA CYS 48 HA CYS 48 -1.567 -6.616 1.374 359 HB2 CYS 48 1HB CYS 48 0.875 -5.123 0.401 360 HB3 CYS 48 2HB CYS 48 -0.680 -5.156 -0.440 361 H CYS 49 H CYS 49 1.497 -8.289 0.819 362 HA CYS 49 HA CYS 49 0.338 -9.285 -1.762 363 HB2 CYS 49 1HB CYS 49 2.641 -8.391 -1.890 364 HB3 CYS 49 2HB CYS 49 3.167 -9.593 -0.702 365 H PHE 50 H PHE 50 1.969 -10.456 1.220 366 HA PHE 50 HA PHE 50 1.265 -13.216 0.655 367 HB2 PHE 50 1HB PHE 50 2.292 -11.798 3.134 368 HB3 PHE 50 2HB PHE 50 1.972 -13.535 3.072 369 HD1 PHE 50 1HD PHE 50 3.369 -15.049 1.770 370 HD2 PHE 50 2HD PHE 50 4.200 -10.833 1.869 371 HE1 PHE 50 1HE PHE 50 5.621 -15.472 0.795 372 HE2 PHE 50 2HE PHE 50 6.456 -11.244 0.904 373 HZ PHE 50 HZ PHE 50 7.169 -13.568 0.356 374 H ARG 51 H ARG 51 -0.318 -10.521 2.124 375 HA ARG 51 HA ARG 51 -2.733 -12.202 2.581 376 HB2 ARG 51 1HB ARG 51 -1.455 -10.282 4.561 377 HB3 ARG 51 2HB ARG 51 -3.178 -10.683 4.612 378 HG2 ARG 51 1HG ARG 51 -2.649 -13.061 4.874 379 HG3 ARG 51 2HG ARG 51 -0.914 -12.693 4.842 380 HD2 ARG 51 1HD ARG 51 -2.832 -11.485 6.844 381 HD3 ARG 51 2HD ARG 51 -1.955 -13.004 7.125 382 HE ARG 51 HE ARG 51 -0.081 -11.031 6.321 383 HH11 ARG 51 1HH1 ARG 51 -2.137 -11.750 9.105 384 HH12 ARG 51 2HH1 ARG 51 -1.044 -10.992 10.230 385 HH21 ARG 51 1HH2 ARG 51 1.267 -10.089 7.812 386 HH22 ARG 51 2HH2 ARG 51 0.852 -10.061 9.505 387 H SER 52 H SER 52 -4.643 -10.534 2.826 388 HA SER 52 HA SER 52 -4.319 -8.561 0.648 389 HB2 SER 52 1HB SER 52 -6.815 -8.330 0.997 390 HB3 SER 52 2HB SER 52 -6.284 -9.972 0.567 391 HG SER 52 HG SER 52 -6.962 -8.988 3.144 392 H CYS 53 H CYS 53 -4.966 -6.304 0.956 393 HA CYS 53 HA CYS 53 -5.196 -5.427 3.775 394 HB2 CYS 53 1HB CYS 53 -3.427 -3.831 3.628 395 HB3 CYS 53 2HB CYS 53 -2.769 -5.400 3.177 396 H ASP 54 H ASP 54 -5.787 -3.177 3.996 397 HA ASP 54 HA ASP 54 -7.556 -2.270 1.771 398 HB2 ASP 54 1HB ASP 54 -7.381 -1.525 4.720 399 HB3 ASP 54 2HB ASP 54 -8.505 -0.789 3.567 400 H LEU 55 H LEU 55 -7.514 0.016 1.205 401 HA LEU 55 HA LEU 55 -4.918 1.177 0.970 402 HB2 LEU 55 1HB LEU 55 -6.039 3.150 0.188 403 HB3 LEU 55 2HB LEU 55 -6.791 1.721 -0.499 404 HG LEU 55 HG LEU 55 -8.430 2.201 1.658 405 HD11 LEU 55 1HD1 LEU 55 -8.943 4.605 1.667 406 HD12 LEU 55 2HD1 LEU 55 -7.622 4.913 0.516 407 HD13 LEU 55 3HD1 LEU 55 -7.260 4.344 2.161 408 HD21 LEU 55 1HD2 LEU 55 -9.122 1.690 -0.642 409 HD22 LEU 55 2HD2 LEU 55 -8.661 3.331 -1.157 410 HD23 LEU 55 3HD2 LEU 55 -10.003 3.097 -0.011 411 H ALA 56 H ALA 56 -7.357 1.436 3.510 412 HA ALA 56 HA ALA 56 -6.255 3.726 4.826 413 HB1 ALA 56 1HB ALA 56 -8.535 2.901 5.277 414 HB2 ALA 56 2HB ALA 56 -7.875 1.380 5.934 415 HB3 ALA 56 3HB ALA 56 -7.578 2.921 6.776 416 H LEU 57 H LEU 57 -5.784 0.202 5.279 417 HA LEU 57 HA LEU 57 -3.875 0.455 7.416 418 HB2 LEU 57 1HB LEU 57 -5.114 -1.628 6.937 419 HB3 LEU 57 2HB LEU 57 -4.309 -1.767 5.370 420 HG LEU 57 HG LEU 57 -2.510 -1.523 7.718 421 HD11 LEU 57 1HD1 LEU 57 -4.153 -4.036 7.236 422 HD12 LEU 57 2HD1 LEU 57 -4.243 -2.968 8.656 423 HD13 LEU 57 3HD1 LEU 57 -2.763 -3.895 8.341 424 HD21 LEU 57 1HD2 LEU 57 -2.412 -3.664 5.584 425 HD22 LEU 57 2HD2 LEU 57 -1.085 -2.878 6.470 426 HD23 LEU 57 3HD2 LEU 57 -1.932 -2.003 5.197 427 H LEU 58 H LEU 58 -3.681 0.250 3.883 428 HA LEU 58 HA LEU 58 -0.880 -0.046 3.645 429 HB2 LEU 58 1HB LEU 58 -2.822 -0.193 1.954 430 HB3 LEU 58 2HB LEU 58 -2.672 1.543 1.801 431 HG LEU 58 HG LEU 58 -0.672 -0.559 0.979 432 HD11 LEU 58 1HD1 LEU 58 -2.644 -0.242 -0.394 433 HD12 LEU 58 2HD1 LEU 58 -1.162 0.319 -1.203 434 HD13 LEU 58 3HD1 LEU 58 -2.287 1.506 -0.485 435 HD21 LEU 58 1HD2 LEU 58 0.490 1.434 -0.100 436 HD22 LEU 58 2HD2 LEU 58 0.712 1.235 1.645 437 HD23 LEU 58 3HD2 LEU 58 -0.423 2.444 1.032 438 H GLU 59 H GLU 59 -2.927 2.888 3.818 439 HA GLU 59 HA GLU 59 -0.899 4.775 3.335 440 HB2 GLU 59 1HB GLU 59 -3.356 5.199 3.382 441 HB3 GLU 59 2HB GLU 59 -3.323 5.104 5.145 442 HG2 GLU 59 1HG GLU 59 -1.939 7.074 5.297 443 HG3 GLU 59 2HG GLU 59 -1.665 7.074 3.556 444 H THR 60 H THR 60 -1.401 2.869 6.235 445 HA THR 60 HA THR 60 -0.097 4.703 8.020 446 HB THR 60 HB THR 60 0.022 2.903 9.610 447 HG1 THR 60 1HG THR 60 -0.771 1.156 7.486 448 HG21 THR 60 1HG2 THR 60 -2.301 2.273 9.710 449 HG22 THR 60 2HG2 THR 60 -2.502 2.498 7.960 450 HG23 THR 60 3HG2 THR 60 -2.233 3.908 9.006 451 H TYR 61 H TYR 61 1.176 2.764 5.484 452 HA TYR 61 HA TYR 61 3.926 2.777 6.639 453 HB2 TYR 61 1HB TYR 61 2.666 1.593 4.153 454 HB3 TYR 61 2HB TYR 61 4.411 1.743 4.319 455 HD1 TYR 61 1HD TYR 61 1.433 -0.103 5.478 456 HD2 TYR 61 2HD TYR 61 5.673 0.460 5.990 457 HE1 TYR 61 1HE TYR 61 1.576 -2.263 6.736 458 HE2 TYR 61 2HE TYR 61 5.797 -1.683 7.259 459 HH TYR 61 HH TYR 61 3.028 -3.828 7.762 460 H CYS 62 H CYS 62 1.985 5.044 5.238 461 HA CYS 62 HA CYS 62 3.768 6.095 3.193 462 HB2 CYS 62 1HB CYS 62 1.227 6.424 3.458 463 HB3 CYS 62 2HB CYS 62 1.624 7.618 4.693 464 H ALA 63 H ALA 63 4.894 8.168 3.351 465 HA ALA 63 HA ALA 63 6.407 8.364 5.800 466 HB1 ALA 63 1HB ALA 63 6.187 10.225 3.414 467 HB2 ALA 63 2HB ALA 63 7.433 10.315 4.684 468 HB3 ALA 63 3HB ALA 63 7.353 8.896 3.610 469 H THR 64 H THR 64 3.621 10.129 4.477 470 HA THR 64 HA THR 64 3.267 11.452 7.104 471 HB THR 64 HB THR 64 2.566 13.574 5.664 472 HG1 THR 64 1HG THR 64 4.491 12.258 4.025 473 HG21 THR 64 1HG2 THR 64 5.508 12.919 6.083 474 HG22 THR 64 2HG2 THR 64 4.407 13.545 7.331 475 HG23 THR 64 3HG2 THR 64 4.793 14.538 5.908 476 HA PRO 65 HA PRO 65 -0.863 10.381 6.028 477 HB2 PRO 65 1HB PRO 65 -2.416 12.092 7.438 478 HB3 PRO 65 2HB PRO 65 -1.345 10.920 8.266 479 HG2 PRO 65 1HG PRO 65 -0.844 13.809 7.618 480 HG3 PRO 65 2HG PRO 65 -0.712 12.967 9.190 481 HD2 PRO 65 1HD PRO 65 1.445 13.396 7.604 482 HD3 PRO 65 2HD PRO 65 1.283 11.902 8.592 483 H ALA 66 H ALA 66 -3.046 11.399 5.299 484 HA ALA 66 HA ALA 66 -2.625 12.854 2.878 485 HB1 ALA 66 1HB ALA 66 -5.188 12.486 4.507 486 HB2 ALA 66 2HB ALA 66 -5.098 12.999 2.806 487 HB3 ALA 66 3HB ALA 66 -4.582 11.361 3.266 488 H LYS 67 H LYS 67 -2.721 15.009 2.421 489 HA LYS 67 HA LYS 67 -2.420 16.830 4.690 490 HB2 LYS 67 1HB LYS 67 -1.096 16.733 2.455 491 HB3 LYS 67 2HB LYS 67 -2.451 17.638 1.782 492 HG2 LYS 67 1HG LYS 67 -2.053 19.361 3.648 493 HG3 LYS 67 2HG LYS 67 -0.580 18.463 4.045 494 HD2 LYS 67 1HD LYS 67 0.125 20.234 2.644 495 HD3 LYS 67 2HD LYS 67 0.112 18.800 1.598 496 HE2 LYS 67 1HE LYS 67 -2.121 19.473 0.725 497 HE3 LYS 67 2HE LYS 67 -2.105 20.894 1.787 498 HZ1 LYS 67 1HZ LYS 67 -0.148 21.682 0.594 499 HZ2 LYS 67 2HZ LYS 67 -1.399 21.448 -0.456 500 HZ3 LYS 67 3HZ LYS 67 -0.163 20.358 -0.389 501 H SER 68 H SER 68 -4.992 15.882 4.777 502 HA SER 68 HA SER 68 -6.506 18.394 4.400 503 HB2 SER 68 1HB SER 68 -6.946 17.117 2.311 504 HB3 SER 68 2HB SER 68 -7.493 15.735 3.287 505 HG SER 68 HG SER 68 -9.235 17.052 2.593 506 H GLU 69 H GLU 69 -7.317 18.785 6.287 507 HA GLU 69 HA GLU 69 -7.650 18.454 8.558 508 HB2 GLU 69 1HB GLU 69 -9.997 17.885 8.944 509 HB3 GLU 69 2HB GLU 69 -9.797 18.927 7.541 510 HG2 GLU 69 1HG GLU 69 -10.016 16.922 6.022 511 HG3 GLU 69 2HG GLU 69 -10.263 15.899 7.436 Start of MODEL 11 1 HA ALA 1 HA ALA 1 -17.991 -11.172 -8.146 2 HB1 ALA 1 1HB ALA 1 -16.782 -12.314 -9.950 3 HB2 ALA 1 2HB ALA 1 -18.022 -11.311 -10.704 4 HB3 ALA 1 3HB ALA 1 -16.337 -10.765 -10.696 5 H TYR 2 H TYR 2 -15.533 -12.273 -8.452 6 HA TYR 2 HA TYR 2 -14.011 -10.865 -6.363 7 HB2 TYR 2 1HB TYR 2 -12.480 -12.916 -6.723 8 HB3 TYR 2 2HB TYR 2 -14.086 -13.191 -6.038 9 HD1 TYR 2 1HD TYR 2 -12.113 -13.428 -9.224 10 HD2 TYR 2 2HD TYR 2 -15.694 -14.592 -7.128 11 HE1 TYR 2 1HE TYR 2 -12.661 -15.052 -11.040 12 HE2 TYR 2 2HE TYR 2 -16.228 -16.209 -8.952 13 HH TYR 2 HH TYR 2 -14.137 -16.626 -11.807 14 H ARG 3 H ARG 3 -11.755 -10.302 -6.624 15 HA ARG 3 HA ARG 3 -11.208 -9.313 -9.361 16 HB2 ARG 3 1HB ARG 3 -9.815 -8.786 -6.726 17 HB3 ARG 3 2HB ARG 3 -9.406 -8.019 -8.260 18 HG2 ARG 3 1HG ARG 3 -11.624 -6.970 -8.333 19 HG3 ARG 3 2HG ARG 3 -12.060 -7.771 -6.808 20 HD2 ARG 3 1HD ARG 3 -10.140 -6.640 -5.704 21 HD3 ARG 3 2HD ARG 3 -9.806 -5.787 -7.220 22 HE ARG 3 HE ARG 3 -11.635 -4.399 -6.859 23 HH11 ARG 3 1HH1 ARG 3 -11.725 -6.990 -4.444 24 HH12 ARG 3 2HH1 ARG 3 -12.948 -6.184 -3.503 25 HH21 ARG 3 1HH2 ARG 3 -13.192 -3.446 -5.599 26 HH22 ARG 3 2HH2 ARG 3 -13.772 -4.224 -4.155 27 HA PRO 4 HA PRO 4 -8.274 -12.553 -10.209 28 HB2 PRO 4 1HB PRO 4 -6.555 -10.331 -11.309 29 HB3 PRO 4 2HB PRO 4 -7.059 -11.860 -12.077 30 HG2 PRO 4 1HG PRO 4 -8.182 -9.607 -12.804 31 HG3 PRO 4 2HG PRO 4 -9.194 -11.062 -12.527 32 HD2 PRO 4 1HD PRO 4 -8.731 -8.704 -10.698 33 HD3 PRO 4 2HD PRO 4 -10.263 -9.533 -11.141 34 H SER 5 H SER 5 -7.192 -9.630 -8.575 35 HA SER 5 HA SER 5 -5.217 -11.107 -7.042 36 HB2 SER 5 1HB SER 5 -4.514 -8.634 -8.690 37 HB3 SER 5 2HB SER 5 -3.452 -9.448 -7.516 38 HG SER 5 HG SER 5 -4.279 -11.327 -9.146 39 H GLU 6 H GLU 6 -5.704 -10.559 -5.127 40 HA GLU 6 HA GLU 6 -7.001 -7.934 -4.524 41 HB2 GLU 6 1HB GLU 6 -7.101 -10.513 -2.926 42 HB3 GLU 6 2HB GLU 6 -7.984 -9.014 -2.618 43 HG2 GLU 6 1HG GLU 6 -8.833 -9.363 -5.060 44 HG3 GLU 6 2HG GLU 6 -8.374 -11.045 -4.792 45 H THR 7 H THR 7 -4.166 -9.060 -4.692 46 HA THR 7 HA THR 7 -3.132 -7.859 -2.168 47 HB THR 7 HB THR 7 -1.215 -9.506 -2.363 48 HG1 THR 7 1HG THR 7 -1.492 -11.258 -3.734 49 HG21 THR 7 1HG2 THR 7 -3.891 -10.930 -2.131 50 HG22 THR 7 2HG2 THR 7 -3.205 -9.903 -0.849 51 HG23 THR 7 3HG2 THR 7 -2.347 -11.369 -1.362 52 H LEU 8 H LEU 8 -0.883 -7.079 -2.477 53 HA LEU 8 HA LEU 8 -0.322 -6.205 -5.295 54 HB2 LEU 8 1HB LEU 8 -0.194 -4.663 -2.687 55 HB3 LEU 8 2HB LEU 8 0.610 -4.134 -4.153 56 HG LEU 8 HG LEU 8 -2.364 -4.499 -3.963 57 HD11 LEU 8 1HD1 LEU 8 -1.631 -2.843 -2.327 58 HD12 LEU 8 2HD1 LEU 8 -2.464 -2.063 -3.685 59 HD13 LEU 8 3HD1 LEU 8 -0.691 -2.005 -3.587 60 HD21 LEU 8 1HD2 LEU 8 -2.359 -3.043 -5.954 61 HD22 LEU 8 2HD2 LEU 8 -1.460 -4.550 -6.235 62 HD23 LEU 8 3HD2 LEU 8 -0.580 -3.029 -5.923 63 H CYS 9 H CYS 9 1.703 -6.718 -5.902 64 HA CYS 9 HA CYS 9 3.813 -6.883 -3.831 65 HB2 CYS 9 1HB CYS 9 2.472 -9.180 -4.651 66 HB3 CYS 9 2HB CYS 9 3.894 -9.154 -5.699 67 H GLY 10 H GLY 10 5.990 -7.139 -4.863 68 HA2 GLY 10 1HA GLY 10 7.551 -6.483 -6.429 69 HA3 GLY 10 2HA GLY 10 6.347 -6.884 -7.665 70 H GLY 11 H GLY 11 6.761 -5.172 -9.019 71 HA2 GLY 11 1HA GLY 11 7.016 -2.475 -8.119 72 HA3 GLY 11 2HA GLY 11 6.701 -3.003 -9.777 73 H GLU 12 H GLU 12 4.152 -4.435 -8.755 74 HA GLU 12 HA GLU 12 2.375 -2.261 -9.337 75 HB2 GLU 12 1HB GLU 12 1.969 -4.745 -9.683 76 HB3 GLU 12 2HB GLU 12 1.707 -4.872 -7.938 77 HG2 GLU 12 1HG GLU 12 -0.144 -3.213 -8.147 78 HG3 GLU 12 2HG GLU 12 0.096 -3.211 -9.899 79 H LEU 13 H LEU 13 3.578 -3.704 -6.326 80 HA LEU 13 HA LEU 13 1.724 -2.323 -4.593 81 HB2 LEU 13 1HB LEU 13 3.021 -4.275 -3.867 82 HB3 LEU 13 2HB LEU 13 4.533 -3.415 -4.127 83 HG LEU 13 HG LEU 13 4.120 -1.944 -2.277 84 HD11 LEU 13 1HD1 LEU 13 1.680 -1.655 -2.453 85 HD12 LEU 13 2HD1 LEU 13 2.163 -2.129 -0.826 86 HD13 LEU 13 3HD1 LEU 13 1.446 -3.332 -1.907 87 HD21 LEU 13 1HD2 LEU 13 4.043 -3.603 -0.450 88 HD22 LEU 13 2HD2 LEU 13 5.104 -4.105 -1.779 89 HD23 LEU 13 3HD2 LEU 13 3.486 -4.835 -1.600 90 H VAL 14 H VAL 14 4.976 -1.595 -5.926 91 HA VAL 14 HA VAL 14 5.410 0.804 -4.432 92 HB VAL 14 HB VAL 14 6.495 0.044 -7.193 93 HG11 VAL 14 1HG1 VAL 14 6.819 2.425 -6.772 94 HG12 VAL 14 2HG1 VAL 14 7.457 2.087 -5.145 95 HG13 VAL 14 3HG1 VAL 14 8.371 1.590 -6.588 96 HG21 VAL 14 1HG2 VAL 14 7.679 -0.414 -4.423 97 HG22 VAL 14 2HG2 VAL 14 7.044 -1.673 -5.506 98 HG23 VAL 14 3HG2 VAL 14 8.490 -0.758 -5.964 99 H ASP 15 H ASP 15 3.949 0.136 -7.621 100 HA ASP 15 HA ASP 15 3.474 2.811 -8.429 101 HB2 ASP 15 1HB ASP 15 3.199 0.786 -9.851 102 HB3 ASP 15 2HB ASP 15 1.790 0.319 -8.891 103 H THR 16 H THR 16 1.491 0.585 -6.434 104 HA THR 16 HA THR 16 -0.675 2.427 -6.114 105 HB THR 16 HB THR 16 0.174 0.297 -4.105 106 HG1 THR 16 1HG THR 16 -0.040 -0.471 -6.331 107 HG21 THR 16 1HG2 THR 16 -2.237 0.219 -3.663 108 HG22 THR 16 2HG2 THR 16 -2.517 1.495 -4.868 109 HG23 THR 16 3HG2 THR 16 -1.604 1.853 -3.380 110 H LEU 17 H LEU 17 2.290 1.863 -4.181 111 HA LEU 17 HA LEU 17 1.594 3.624 -2.018 112 HB2 LEU 17 1HB LEU 17 4.181 2.587 -3.174 113 HB3 LEU 17 2HB LEU 17 4.192 3.793 -1.892 114 HG LEU 17 HG LEU 17 2.512 1.368 -1.437 115 HD11 LEU 17 1HD1 LEU 17 5.515 1.347 -1.261 116 HD12 LEU 17 2HD1 LEU 17 4.500 0.412 -2.385 117 HD13 LEU 17 3HD1 LEU 17 4.407 0.093 -0.648 118 HD21 LEU 17 1HD2 LEU 17 3.270 1.705 0.859 119 HD22 LEU 17 2HD2 LEU 17 2.692 3.248 0.201 120 HD23 LEU 17 3HD2 LEU 17 4.439 2.936 0.331 121 H GLN 18 H GLN 18 3.180 4.123 -5.182 122 HA GLN 18 HA GLN 18 3.788 6.909 -4.737 123 HB2 GLN 18 1HB GLN 18 3.482 5.230 -7.244 124 HB3 GLN 18 2HB GLN 18 3.981 6.927 -7.267 125 HG2 GLN 18 1HG GLN 18 5.977 6.448 -6.019 126 HG3 GLN 18 2HG GLN 18 5.454 4.797 -5.691 127 HE21 GLN 18 1HE2 GLN 18 7.750 5.428 -8.800 128 HE22 GLN 18 2HE2 GLN 18 7.571 6.500 -7.434 129 H PHE 19 H PHE 19 0.989 5.172 -6.135 130 HA PHE 19 HA PHE 19 -0.389 7.535 -6.993 131 HB2 PHE 19 1HB PHE 19 -0.974 5.289 -7.773 132 HB3 PHE 19 2HB PHE 19 -1.429 4.812 -6.135 133 HD1 PHE 19 1HD PHE 19 -2.364 7.018 -8.986 134 HD2 PHE 19 2HD PHE 19 -3.569 5.334 -5.216 135 HE1 PHE 19 1HE PHE 19 -4.690 7.830 -9.373 136 HE2 PHE 19 2HE PHE 19 -5.897 6.135 -5.592 137 HZ PHE 19 HZ PHE 19 -6.462 7.389 -7.673 138 H VAL 20 H VAL 20 -0.660 5.622 -3.928 139 HA VAL 20 HA VAL 20 -2.759 7.328 -2.980 140 HB VAL 20 HB VAL 20 -2.431 4.915 -2.303 141 HG11 VAL 20 1HG1 VAL 20 -0.935 4.309 -0.559 142 HG12 VAL 20 2HG1 VAL 20 0.019 5.099 -1.816 143 HG13 VAL 20 3HG1 VAL 20 -0.393 5.980 -0.330 144 HG21 VAL 20 1HG2 VAL 20 -2.673 6.885 0.003 145 HG22 VAL 20 2HG2 VAL 20 -3.983 6.396 -1.096 146 HG23 VAL 20 3HG2 VAL 20 -3.241 5.199 -0.010 147 H CYS 21 H CYS 21 0.792 7.456 -2.488 148 HA CYS 21 HA CYS 21 0.427 10.168 -1.409 149 HB2 CYS 21 1HB CYS 21 1.573 9.681 0.696 150 HB3 CYS 21 2HB CYS 21 0.072 8.761 0.550 151 H GLY 22 H GLY 22 1.952 8.955 -3.735 152 HA2 GLY 22 1HA GLY 22 4.704 8.804 -3.118 153 HA3 GLY 22 2HA GLY 22 4.026 9.231 -4.695 154 H ASP 23 H ASP 23 2.695 11.646 -3.748 155 HA ASP 23 HA ASP 23 4.729 13.603 -4.092 156 HB2 ASP 23 1HB ASP 23 2.430 14.153 -4.528 157 HB3 ASP 23 2HB ASP 23 1.932 13.650 -2.906 158 H ARG 24 H ARG 24 3.381 12.100 -1.186 159 HA ARG 24 HA ARG 24 4.839 14.001 0.542 160 HB2 ARG 24 1HB ARG 24 3.123 11.678 1.445 161 HB3 ARG 24 2HB ARG 24 3.500 13.177 2.305 162 HG2 ARG 24 1HG ARG 24 2.233 14.320 0.286 163 HG3 ARG 24 2HG ARG 24 1.557 12.697 0.040 164 HD2 ARG 24 1HD ARG 24 0.006 13.790 1.419 165 HD3 ARG 24 2HD ARG 24 0.953 12.779 2.535 166 HE ARG 24 HE ARG 24 2.092 15.417 2.209 167 HH11 ARG 24 1HH1 ARG 24 -0.426 13.680 3.966 168 HH12 ARG 24 2HH1 ARG 24 -0.471 14.850 5.255 169 HH21 ARG 24 1HH2 ARG 24 1.979 16.875 3.866 170 HH22 ARG 24 2HH2 ARG 24 0.881 16.639 5.197 171 H GLY 25 H GLY 25 5.406 11.042 -0.943 172 HA2 GLY 25 1HA GLY 25 7.277 9.669 -0.729 173 HA3 GLY 25 2HA GLY 25 7.736 10.517 0.758 174 H PHE 26 H PHE 26 7.849 7.703 0.474 175 HA PHE 26 HA PHE 26 6.083 6.940 2.687 176 HB2 PHE 26 1HB PHE 26 5.273 4.912 1.500 177 HB3 PHE 26 2HB PHE 26 4.648 6.409 0.811 178 HD1 PHE 26 1HD PHE 26 5.134 7.085 -1.430 179 HD2 PHE 26 2HD PHE 26 7.052 3.621 0.256 180 HE1 PHE 26 1HE PHE 26 5.939 6.440 -3.682 181 HE2 PHE 26 2HE PHE 26 7.864 2.966 -2.002 182 HZ PHE 26 HZ PHE 26 7.286 4.365 -3.980 183 H TYR 27 H TYR 27 6.636 4.777 3.533 184 HA TYR 27 HA TYR 27 9.427 3.981 2.801 185 HB2 TYR 27 1HB TYR 27 8.272 4.353 5.585 186 HB3 TYR 27 2HB TYR 27 9.839 3.613 5.230 187 HD1 TYR 27 1HD TYR 27 8.082 6.731 5.809 188 HD2 TYR 27 2HD TYR 27 11.623 5.052 4.039 189 HE1 TYR 27 1HE TYR 27 9.157 8.978 5.818 190 HE2 TYR 27 2HE TYR 27 12.684 7.310 4.045 191 HH TYR 27 HH TYR 27 10.984 10.213 5.214 192 H PHE 28 H PHE 28 9.677 1.844 2.538 193 HA PHE 28 HA PHE 28 7.389 0.137 2.494 194 HB2 PHE 28 1HB PHE 28 10.241 -0.005 1.860 195 HB3 PHE 28 2HB PHE 28 9.649 -1.516 2.553 196 HD1 PHE 28 1HD PHE 28 8.980 -3.118 1.004 197 HD2 PHE 28 2HD PHE 28 8.373 1.039 0.054 198 HE1 PHE 28 1HE PHE 28 8.021 -3.764 -1.197 199 HE2 PHE 28 2HE PHE 28 7.424 0.393 -2.153 200 HZ PHE 28 HZ PHE 28 7.229 -2.010 -2.772 201 H SER 29 H SER 29 9.420 1.039 5.116 202 HA SER 29 HA SER 29 8.501 -1.317 6.713 203 HB2 SER 29 1HB SER 29 10.868 0.527 7.157 204 HB3 SER 29 2HB SER 29 10.410 -0.870 8.142 205 HG SER 29 HG SER 29 10.830 -2.208 6.385 206 H ARG 30 H ARG 30 7.137 1.244 6.110 207 HA ARG 30 HA ARG 30 5.772 2.777 7.117 208 HB2 ARG 30 1HB ARG 30 6.049 0.775 9.139 209 HB3 ARG 30 2HB ARG 30 6.020 2.328 9.928 210 HG2 ARG 30 1HG ARG 30 3.822 2.759 9.195 211 HG3 ARG 30 2HG ARG 30 3.966 1.651 7.830 212 HD2 ARG 30 1HD ARG 30 4.082 -0.241 9.478 213 HD3 ARG 30 2HD ARG 30 3.633 0.925 10.741 214 HE ARG 30 HE ARG 30 1.684 1.336 8.876 215 HH11 ARG 30 1HH1 ARG 30 2.877 -1.686 10.275 216 HH12 ARG 30 2HH1 ARG 30 1.365 -2.511 9.969 217 HH21 ARG 30 1HH2 ARG 30 -0.213 0.218 8.604 218 HH22 ARG 30 2HH2 ARG 30 -0.330 -1.469 9.076 219 HA PRO 31 HA PRO 31 8.428 5.920 7.834 220 HB2 PRO 31 1HB PRO 31 7.042 7.942 8.962 221 HB3 PRO 31 2HB PRO 31 6.511 7.191 7.430 222 HG2 PRO 31 1HG PRO 31 5.538 6.699 10.209 223 HG3 PRO 31 2HG PRO 31 4.598 6.994 8.718 224 HD2 PRO 31 1HD PRO 31 5.142 4.500 9.763 225 HD3 PRO 31 2HD PRO 31 4.837 4.758 8.023 226 H ALA 32 H ALA 32 9.421 7.650 9.295 227 HA ALA 32 HA ALA 32 10.234 6.370 11.824 228 HB1 ALA 32 1HB ALA 32 11.939 8.148 11.838 229 HB2 ALA 32 2HB ALA 32 11.898 7.340 10.247 230 HB3 ALA 32 3HB ALA 32 11.145 8.940 10.452 231 H SER 33 H SER 33 7.905 8.562 10.739 232 HA SER 33 HA SER 33 7.935 10.693 12.487 233 HB2 SER 33 1HB SER 33 5.488 9.339 11.328 234 HB3 SER 33 2HB SER 33 5.685 11.066 11.724 235 HG SER 33 HG SER 33 6.047 10.444 9.434 236 H ARG 34 H ARG 34 8.298 10.309 14.612 237 HA ARG 34 HA ARG 34 7.815 10.007 16.812 238 HB2 ARG 34 1HB ARG 34 5.713 11.273 15.956 239 HB3 ARG 34 2HB ARG 34 4.892 9.724 16.140 240 HG2 ARG 34 1HG ARG 34 6.219 10.066 18.586 241 HG3 ARG 34 2HG ARG 34 5.662 11.698 18.170 242 HD2 ARG 34 1HD ARG 34 3.370 10.841 17.848 243 HD3 ARG 34 2HD ARG 34 3.931 9.194 18.207 244 HE ARG 34 HE ARG 34 4.624 10.916 20.370 245 HH11 ARG 34 1HH1 ARG 34 1.751 9.427 18.962 246 HH12 ARG 34 2HH1 ARG 34 0.897 9.416 20.480 247 HH21 ARG 34 1HH2 ARG 34 3.478 10.854 22.281 248 HH22 ARG 34 2HH2 ARG 34 1.858 10.210 22.323 249 H VAL 35 H VAL 35 7.944 7.583 14.843 250 HA VAL 35 HA VAL 35 7.053 5.630 16.918 251 HB VAL 35 HB VAL 35 6.657 4.002 14.985 252 HG11 VAL 35 1HG1 VAL 35 4.817 6.414 15.239 253 HG12 VAL 35 2HG1 VAL 35 4.356 4.781 14.707 254 HG13 VAL 35 3HG1 VAL 35 4.889 5.057 16.383 255 HG21 VAL 35 1HG2 VAL 35 7.747 5.508 13.247 256 HG22 VAL 35 2HG2 VAL 35 6.154 4.872 12.814 257 HG23 VAL 35 3HG2 VAL 35 6.315 6.547 13.362 258 H SER 36 H SER 36 9.189 6.023 17.717 259 HA SER 36 HA SER 36 11.502 5.122 16.248 260 HB2 SER 36 1HB SER 36 12.144 4.973 18.936 261 HB3 SER 36 2HB SER 36 12.268 6.426 17.921 262 HG SER 36 HG SER 36 11.016 6.738 19.853 263 H ARG 37 H ARG 37 10.991 3.062 15.432 264 HA ARG 37 HA ARG 37 10.350 0.874 17.313 265 HB2 ARG 37 1HB ARG 37 11.031 0.902 14.337 266 HB3 ARG 37 2HB ARG 37 10.516 -0.525 15.238 267 HG2 ARG 37 1HG ARG 37 8.805 1.962 14.918 268 HG3 ARG 37 2HG ARG 37 8.725 0.558 13.844 269 HD2 ARG 37 1HD ARG 37 8.119 -0.888 15.721 270 HD3 ARG 37 2HD ARG 37 8.263 0.469 16.850 271 HE ARG 37 HE ARG 37 6.123 0.030 14.851 272 HH11 ARG 37 1HH1 ARG 37 7.411 2.103 17.410 273 HH12 ARG 37 2HH1 ARG 37 5.903 2.959 17.594 274 HH21 ARG 37 1HH2 ARG 37 4.250 1.185 15.130 275 HH22 ARG 37 2HH2 ARG 37 4.155 2.453 16.317 276 H ARG 38 H ARG 38 11.824 -0.661 18.025 277 HA ARG 38 HA ARG 38 14.658 -0.008 17.868 278 HB2 ARG 38 1HB ARG 38 13.202 -2.525 18.801 279 HB3 ARG 38 2HB ARG 38 14.950 -2.276 18.924 280 HG2 ARG 38 1HG ARG 38 14.552 -0.287 20.360 281 HG3 ARG 38 2HG ARG 38 12.808 -0.612 20.302 282 HD2 ARG 38 1HD ARG 38 13.176 -2.818 21.352 283 HD3 ARG 38 2HD ARG 38 14.923 -2.528 21.357 284 HE ARG 38 HE ARG 38 14.705 -1.016 23.122 285 HH11 ARG 38 1HH1 ARG 38 11.488 -2.117 22.149 286 HH12 ARG 38 2HH1 ARG 38 10.739 -1.481 23.588 287 HH21 ARG 38 1HH2 ARG 38 13.672 -0.232 24.921 288 HH22 ARG 38 2HH2 ARG 38 11.956 -0.441 25.128 289 H SER 39 H SER 39 12.435 -2.277 16.319 290 HA SER 39 HA SER 39 14.062 -2.282 13.903 291 HB2 SER 39 1HB SER 39 14.026 -4.758 13.786 292 HB3 SER 39 2HB SER 39 14.955 -4.198 15.195 293 HG SER 39 HG SER 39 13.362 -5.948 15.533 294 HA PRO 40 HA PRO 40 9.783 -2.282 12.765 295 HB2 PRO 40 1HB PRO 40 9.847 -3.086 10.147 296 HB3 PRO 40 2HB PRO 40 10.418 -1.465 10.663 297 HG2 PRO 40 1HG PRO 40 12.030 -3.963 10.146 298 HG3 PRO 40 2HG PRO 40 12.319 -2.297 9.558 299 HD2 PRO 40 1HD PRO 40 13.611 -3.340 11.688 300 HD3 PRO 40 2HD PRO 40 13.156 -1.601 11.599 301 H GLN 41 H GLN 41 8.159 -3.820 13.023 302 HA GLN 41 HA GLN 41 8.949 -6.582 13.460 303 HB2 GLN 41 1HB GLN 41 7.100 -5.397 14.693 304 HB3 GLN 41 2HB GLN 41 6.169 -5.371 13.191 305 HG2 GLN 41 1HG GLN 41 6.185 -7.859 13.152 306 HG3 GLN 41 2HG GLN 41 7.085 -7.863 14.676 307 HE21 GLN 41 1HE2 GLN 41 3.830 -8.336 15.998 308 HE22 GLN 41 2HE2 GLN 41 5.267 -9.158 15.441 309 H ARG 42 H ARG 42 7.357 -4.722 10.909 310 HA ARG 42 HA ARG 42 7.633 -6.932 9.000 311 HB2 ARG 42 1HB ARG 42 5.223 -6.696 8.410 312 HB3 ARG 42 2HB ARG 42 5.496 -7.449 9.976 313 HG2 ARG 42 1HG ARG 42 4.748 -5.535 11.154 314 HG3 ARG 42 2HG ARG 42 4.876 -4.487 9.727 315 HD2 ARG 42 1HD ARG 42 2.525 -5.194 10.393 316 HD3 ARG 42 2HD ARG 42 2.985 -5.456 8.701 317 HE ARG 42 HE ARG 42 3.598 -7.862 9.599 318 HH11 ARG 42 1HH1 ARG 42 0.698 -5.999 10.481 319 HH12 ARG 42 2HH1 ARG 42 -0.202 -7.445 10.813 320 HH21 ARG 42 1HH2 ARG 42 2.409 -9.585 9.978 321 HH22 ARG 42 2HH2 ARG 42 0.749 -9.465 10.531 322 H GLY 43 H GLY 43 6.816 -6.163 6.844 323 HA2 GLY 43 1HA GLY 43 7.101 -3.199 6.567 324 HA3 GLY 43 2HA GLY 43 7.772 -4.349 5.392 325 H ILE 44 H ILE 44 6.189 -2.626 4.264 326 HA ILE 44 HA ILE 44 3.388 -2.979 4.313 327 HB ILE 44 HB ILE 44 4.536 -1.096 3.180 328 HG12 ILE 44 1HG1 ILE 44 3.483 -1.340 0.805 329 HG13 ILE 44 2HG1 ILE 44 2.765 -2.811 1.435 330 HG21 ILE 44 1HG2 ILE 44 5.730 -1.377 1.053 331 HG22 ILE 44 2HG2 ILE 44 6.510 -2.321 2.330 332 HG23 ILE 44 3HG2 ILE 44 5.493 -3.134 1.128 333 HD11 ILE 44 1HD1 ILE 44 1.258 -0.930 1.549 334 HD12 ILE 44 2HD1 ILE 44 1.644 -1.511 3.184 335 HD13 ILE 44 3HD1 ILE 44 2.408 -0.026 2.548 336 H VAL 45 H VAL 45 5.869 -4.927 2.745 337 HA VAL 45 HA VAL 45 4.216 -6.343 0.935 338 HB VAL 45 HB VAL 45 6.735 -7.362 2.345 339 HG11 VAL 45 1HG1 VAL 45 5.538 -8.041 -0.378 340 HG12 VAL 45 2HG1 VAL 45 7.070 -8.672 0.274 341 HG13 VAL 45 3HG1 VAL 45 5.536 -9.098 1.054 342 HG21 VAL 45 1HG2 VAL 45 7.262 -5.183 1.401 343 HG22 VAL 45 2HG2 VAL 45 7.943 -6.420 0.333 344 HG23 VAL 45 3HG2 VAL 45 6.435 -5.588 -0.123 345 H GLU 46 H GLU 46 4.821 -6.832 4.416 346 HA GLU 46 HA GLU 46 3.792 -9.525 4.488 347 HB2 GLU 46 1HB GLU 46 4.504 -7.441 6.452 348 HB3 GLU 46 2HB GLU 46 3.192 -8.505 6.951 349 HG2 GLU 46 1HG GLU 46 5.093 -10.262 5.924 350 HG3 GLU 46 2HG GLU 46 6.066 -9.034 6.751 351 H GLU 47 H GLU 47 2.249 -6.331 4.748 352 HA GLU 47 HA GLU 47 -0.275 -7.680 5.457 353 HB2 GLU 47 1HB GLU 47 0.371 -4.727 5.243 354 HB3 GLU 47 2HB GLU 47 -1.137 -5.439 5.849 355 HG2 GLU 47 1HG GLU 47 0.341 -6.722 7.512 356 HG3 GLU 47 2HG GLU 47 1.628 -5.597 7.057 357 H CYS 48 H CYS 48 1.201 -6.121 2.662 358 HA CYS 48 HA CYS 48 -1.450 -6.196 1.319 359 HB2 CYS 48 1HB CYS 48 1.153 -4.849 0.580 360 HB3 CYS 48 2HB CYS 48 -0.284 -4.874 -0.450 361 H CYS 49 H CYS 49 1.494 -8.068 1.318 362 HA CYS 49 HA CYS 49 0.603 -9.269 -1.283 363 HB2 CYS 49 1HB CYS 49 2.843 -8.192 -1.344 364 HB3 CYS 49 2HB CYS 49 3.386 -9.311 -0.094 365 H PHE 50 H PHE 50 2.158 -10.088 1.871 366 HA PHE 50 HA PHE 50 1.505 -12.924 1.521 367 HB2 PHE 50 1HB PHE 50 2.545 -11.315 3.873 368 HB3 PHE 50 2HB PHE 50 2.233 -13.050 3.939 369 HD1 PHE 50 1HD PHE 50 4.560 -10.465 2.835 370 HD2 PHE 50 2HD PHE 50 3.528 -14.623 2.484 371 HE1 PHE 50 1HE PHE 50 6.827 -10.942 1.931 372 HE2 PHE 50 2HE PHE 50 5.783 -15.107 1.547 373 HZ PHE 50 HZ PHE 50 7.439 -13.265 1.266 374 H ARG 51 H ARG 51 -0.161 -10.139 2.446 375 HA ARG 51 HA ARG 51 -2.516 -11.759 3.228 376 HB2 ARG 51 1HB ARG 51 -1.547 -9.274 4.701 377 HB3 ARG 51 2HB ARG 51 -3.132 -10.017 4.913 378 HG2 ARG 51 1HG ARG 51 -2.029 -12.072 5.708 379 HG3 ARG 51 2HG ARG 51 -0.465 -11.230 5.602 380 HD2 ARG 51 1HD ARG 51 -1.029 -10.845 7.811 381 HD3 ARG 51 2HD ARG 51 -1.669 -9.394 7.006 382 HE ARG 51 HE ARG 51 -3.453 -11.733 7.447 383 HH11 ARG 51 1HH1 ARG 51 -2.696 -8.364 8.225 384 HH12 ARG 51 2HH1 ARG 51 -4.220 -8.119 9.033 385 HH21 ARG 51 1HH2 ARG 51 -5.366 -11.336 8.491 386 HH22 ARG 51 2HH2 ARG 51 -5.703 -9.769 9.176 387 H SER 52 H SER 52 -4.315 -9.808 3.337 388 HA SER 52 HA SER 52 -3.920 -8.231 0.814 389 HB2 SER 52 1HB SER 52 -6.415 -8.179 0.734 390 HB3 SER 52 2HB SER 52 -5.770 -9.832 0.637 391 HG SER 52 HG SER 52 -6.674 -8.580 3.029 392 H CYS 53 H CYS 53 -4.482 -6.014 0.900 393 HA CYS 53 HA CYS 53 -5.079 -4.922 3.606 394 HB2 CYS 53 1HB CYS 53 -3.357 -3.261 3.382 395 HB3 CYS 53 2HB CYS 53 -2.611 -4.843 3.152 396 H ASP 54 H ASP 54 -5.714 -2.625 3.512 397 HA ASP 54 HA ASP 54 -7.190 -1.989 0.982 398 HB2 ASP 54 1HB ASP 54 -8.511 -0.498 2.566 399 HB3 ASP 54 2HB ASP 54 -8.742 -2.249 2.815 400 H LEU 55 H LEU 55 -7.275 0.377 0.580 401 HA LEU 55 HA LEU 55 -4.676 1.491 0.515 402 HB2 LEU 55 1HB LEU 55 -5.751 3.511 -0.277 403 HB3 LEU 55 2HB LEU 55 -6.369 2.084 -1.092 404 HG LEU 55 HG LEU 55 -8.214 2.472 0.952 405 HD11 LEU 55 1HD1 LEU 55 -7.190 4.673 1.485 406 HD12 LEU 55 2HD1 LEU 55 -8.837 4.844 0.847 407 HD13 LEU 55 3HD1 LEU 55 -7.438 5.188 -0.198 408 HD21 LEU 55 1HD2 LEU 55 -9.691 3.238 -0.866 409 HD22 LEU 55 2HD2 LEU 55 -8.688 1.870 -1.389 410 HD23 LEU 55 3HD2 LEU 55 -8.276 3.523 -1.906 411 H ALA 56 H ALA 56 -7.161 1.760 3.008 412 HA ALA 56 HA ALA 56 -6.078 4.154 4.155 413 HB1 ALA 56 1HB ALA 56 -7.555 3.736 6.017 414 HB2 ALA 56 2HB ALA 56 -8.423 3.335 4.518 415 HB3 ALA 56 3HB ALA 56 -7.756 2.041 5.538 416 H LEU 57 H LEU 57 -5.783 0.676 4.923 417 HA LEU 57 HA LEU 57 -3.914 0.968 7.080 418 HB2 LEU 57 1HB LEU 57 -5.202 -1.093 6.549 419 HB3 LEU 57 2HB LEU 57 -4.262 -1.298 5.072 420 HG LEU 57 HG LEU 57 -2.645 -1.009 7.517 421 HD11 LEU 57 1HD1 LEU 57 -3.084 -3.319 8.302 422 HD12 LEU 57 2HD1 LEU 57 -4.424 -3.438 7.135 423 HD13 LEU 57 3HD1 LEU 57 -4.506 -2.261 8.466 424 HD21 LEU 57 1HD2 LEU 57 -1.343 -2.796 6.564 425 HD22 LEU 57 2HD2 LEU 57 -1.735 -1.653 5.266 426 HD23 LEU 57 3HD2 LEU 57 -2.629 -3.182 5.402 427 H LEU 58 H LEU 58 -3.602 0.679 3.577 428 HA LEU 58 HA LEU 58 -0.775 0.430 3.425 429 HB2 LEU 58 1HB LEU 58 -2.664 0.160 1.681 430 HB3 LEU 58 2HB LEU 58 -2.553 1.892 1.469 431 HG LEU 58 HG LEU 58 -0.491 -0.189 0.764 432 HD11 LEU 58 1HD1 LEU 58 -2.095 1.813 -0.818 433 HD12 LEU 58 2HD1 LEU 58 -2.427 0.063 -0.689 434 HD13 LEU 58 3HD1 LEU 58 -0.931 0.627 -1.469 435 HD21 LEU 58 1HD2 LEU 58 0.855 1.628 1.426 436 HD22 LEU 58 2HD2 LEU 58 -0.275 2.818 0.759 437 HD23 LEU 58 3HD2 LEU 58 0.679 1.793 -0.328 438 H GLU 59 H GLU 59 -2.914 3.316 3.430 439 HA GLU 59 HA GLU 59 -0.964 5.267 2.911 440 HB2 GLU 59 1HB GLU 59 -3.448 5.565 2.945 441 HB3 GLU 59 2HB GLU 59 -3.400 5.556 4.710 442 HG2 GLU 59 1HG GLU 59 -2.058 7.599 4.720 443 HG3 GLU 59 2HG GLU 59 -1.942 7.557 2.960 444 H THR 60 H THR 60 -1.488 3.478 5.887 445 HA THR 60 HA THR 60 -0.172 5.370 7.601 446 HB THR 60 HB THR 60 -0.089 3.656 9.260 447 HG1 THR 60 1HG THR 60 -0.707 1.785 7.183 448 HG21 THR 60 1HG2 THR 60 -2.373 4.531 8.465 449 HG22 THR 60 2HG2 THR 60 -2.391 2.976 9.336 450 HG23 THR 60 3HG2 THR 60 -2.536 3.010 7.567 451 H TYR 61 H TYR 61 1.105 3.302 5.164 452 HA TYR 61 HA TYR 61 3.795 3.163 6.388 453 HB2 TYR 61 1HB TYR 61 2.611 2.202 3.775 454 HB3 TYR 61 2HB TYR 61 4.347 2.190 4.077 455 HD1 TYR 61 1HD TYR 61 5.383 0.585 5.515 456 HD2 TYR 61 2HD TYR 61 1.097 0.717 5.202 457 HE1 TYR 61 1HE TYR 61 5.229 -1.571 6.756 458 HE2 TYR 61 2HE TYR 61 0.953 -1.477 6.402 459 HH TYR 61 HH TYR 61 2.117 -3.130 7.519 460 H CYS 62 H CYS 62 2.009 5.516 4.781 461 HA CYS 62 HA CYS 62 4.096 6.604 3.107 462 HB2 CYS 62 1HB CYS 62 1.652 7.915 4.317 463 HB3 CYS 62 2HB CYS 62 2.641 8.577 3.003 464 H ALA 63 H ALA 63 5.114 8.766 3.516 465 HA ALA 63 HA ALA 63 6.591 8.643 5.962 466 HB1 ALA 63 1HB ALA 63 7.430 9.649 3.858 467 HB2 ALA 63 2HB ALA 63 6.250 10.967 4.039 468 HB3 ALA 63 3HB ALA 63 7.550 10.777 5.233 469 H THR 64 H THR 64 3.711 10.401 4.987 470 HA THR 64 HA THR 64 3.499 11.565 7.729 471 HB THR 64 HB THR 64 1.761 13.063 6.604 472 HG1 THR 64 1HG THR 64 1.680 11.619 4.709 473 HG21 THR 64 1HG2 THR 64 3.412 14.586 5.690 474 HG22 THR 64 2HG2 THR 64 4.598 13.269 5.552 475 HG23 THR 64 3HG2 THR 64 4.046 13.807 7.162 476 HA PRO 65 HA PRO 65 0.091 8.874 8.123 477 HB2 PRO 65 1HB PRO 65 -1.478 10.048 9.986 478 HB3 PRO 65 2HB PRO 65 0.187 9.515 10.380 479 HG2 PRO 65 1HG PRO 65 -0.812 12.238 9.640 480 HG3 PRO 65 2HG PRO 65 0.213 11.740 11.012 481 HD2 PRO 65 1HD PRO 65 1.212 12.768 8.670 482 HD3 PRO 65 2HD PRO 65 2.139 11.603 9.668 483 H ALA 66 H ALA 66 -2.389 8.849 8.179 484 HA ALA 66 HA ALA 66 -3.316 9.829 5.709 485 HB1 ALA 66 1HB ALA 66 -4.960 8.872 8.094 486 HB2 ALA 66 2HB ALA 66 -5.501 8.945 6.398 487 HB3 ALA 66 3HB ALA 66 -4.217 7.814 6.863 488 H LYS 67 H LYS 67 -4.455 11.561 5.054 489 HA LYS 67 HA LYS 67 -4.890 13.672 7.118 490 HB2 LYS 67 1HB LYS 67 -3.659 13.767 4.645 491 HB3 LYS 67 2HB LYS 67 -5.250 14.440 4.293 492 HG2 LYS 67 1HG LYS 67 -3.564 15.474 6.620 493 HG3 LYS 67 2HG LYS 67 -3.311 16.049 4.968 494 HD2 LYS 67 1HD LYS 67 -4.808 17.651 5.585 495 HD3 LYS 67 2HD LYS 67 -5.978 16.413 5.104 496 HE2 LYS 67 1HE LYS 67 -5.744 15.652 7.645 497 HE3 LYS 67 2HE LYS 67 -5.179 17.322 7.873 498 HZ1 LYS 67 1HZ LYS 67 -7.594 17.107 8.143 499 HZ2 LYS 67 2HZ LYS 67 -7.747 16.518 6.613 500 HZ3 LYS 67 3HZ LYS 67 -7.252 18.075 6.850 501 H SER 68 H SER 68 -6.593 11.263 6.229 502 HA SER 68 HA SER 68 -9.061 12.548 5.315 503 HB2 SER 68 1HB SER 68 -8.386 10.198 4.701 504 HB3 SER 68 2HB SER 68 -8.688 9.729 6.389 505 HG SER 68 HG SER 68 -10.521 9.383 5.077 506 H GLU 69 H GLU 69 -9.122 14.119 7.020 507 HA GLU 69 HA GLU 69 -10.854 13.323 9.219 508 HB2 GLU 69 1HB GLU 69 -8.491 12.864 10.124 509 HB3 GLU 69 2HB GLU 69 -8.161 14.587 9.955 510 HG2 GLU 69 1HG GLU 69 -10.100 15.080 11.501 511 HG3 GLU 69 2HG GLU 69 -10.393 13.346 11.661 Start of MODEL 12 1 HA ALA 1 HA ALA 1 -16.951 -7.575 -6.362 2 HB1 ALA 1 1HB ALA 1 -15.990 -6.969 -8.578 3 HB2 ALA 1 2HB ALA 1 -17.693 -6.486 -8.492 4 HB3 ALA 1 3HB ALA 1 -16.414 -5.271 -8.314 5 H TYR 2 H TYR 2 -14.860 -8.253 -6.422 6 HA TYR 2 HA TYR 2 -13.029 -6.675 -4.727 7 HB2 TYR 2 1HB TYR 2 -12.854 -9.511 -5.824 8 HB3 TYR 2 2HB TYR 2 -11.736 -8.785 -4.666 9 HD1 TYR 2 1HD TYR 2 -14.981 -10.423 -5.108 10 HD2 TYR 2 2HD TYR 2 -12.548 -8.193 -2.342 11 HE1 TYR 2 1HE TYR 2 -16.453 -11.146 -3.223 12 HE2 TYR 2 2HE TYR 2 -14.020 -8.927 -0.469 13 HH TYR 2 HH TYR 2 -15.846 -10.141 0.147 14 H ARG 3 H ARG 3 -10.694 -6.588 -5.342 15 HA ARG 3 HA ARG 3 -10.397 -5.695 -8.103 16 HB2 ARG 3 1HB ARG 3 -8.380 -6.236 -5.883 17 HB3 ARG 3 2HB ARG 3 -7.969 -5.536 -7.447 18 HG2 ARG 3 1HG ARG 3 -9.516 -3.640 -6.942 19 HG3 ARG 3 2HG ARG 3 -9.708 -4.303 -5.301 20 HD2 ARG 3 1HD ARG 3 -7.287 -4.154 -4.937 21 HD3 ARG 3 2HD ARG 3 -7.055 -3.590 -6.604 22 HE ARG 3 HE ARG 3 -8.876 -1.888 -5.159 23 HH11 ARG 3 1HH1 ARG 3 -5.433 -2.556 -5.558 24 HH12 ARG 3 2HH1 ARG 3 -4.970 -0.931 -5.125 25 HH21 ARG 3 1HH2 ARG 3 -8.211 0.164 -4.598 26 HH22 ARG 3 2HH2 ARG 3 -6.518 0.577 -4.590 27 HA PRO 4 HA PRO 4 -9.022 -9.620 -9.826 28 HB2 PRO 4 1HB PRO 4 -6.860 -7.980 -11.137 29 HB3 PRO 4 2HB PRO 4 -8.016 -9.124 -11.883 30 HG2 PRO 4 1HG PRO 4 -8.333 -6.522 -12.209 31 HG3 PRO 4 2HG PRO 4 -9.750 -7.560 -11.849 32 HD2 PRO 4 1HD PRO 4 -8.169 -5.803 -9.959 33 HD3 PRO 4 2HD PRO 4 -9.949 -5.958 -10.164 34 H SER 5 H SER 5 -6.844 -7.254 -8.387 35 HA SER 5 HA SER 5 -5.203 -9.430 -7.220 36 HB2 SER 5 1HB SER 5 -3.208 -7.935 -7.536 37 HB3 SER 5 2HB SER 5 -3.878 -8.577 -9.052 38 HG SER 5 HG SER 5 -4.229 -5.989 -7.949 39 H GLU 6 H GLU 6 -6.108 -9.255 -5.234 40 HA GLU 6 HA GLU 6 -6.473 -6.627 -3.946 41 HB2 GLU 6 1HB GLU 6 -6.796 -9.453 -2.871 42 HB3 GLU 6 2HB GLU 6 -7.320 -7.975 -2.059 43 HG2 GLU 6 1HG GLU 6 -8.420 -8.223 -4.773 44 HG3 GLU 6 2HG GLU 6 -8.847 -9.590 -3.739 45 H THR 7 H THR 7 -4.062 -9.005 -4.349 46 HA THR 7 HA THR 7 -2.491 -8.057 -1.991 47 HB THR 7 HB THR 7 -1.006 -10.039 -2.642 48 HG1 THR 7 1HG THR 7 -1.837 -10.260 -4.777 49 HG21 THR 7 1HG2 THR 7 -2.549 -10.279 -0.776 50 HG22 THR 7 2HG2 THR 7 -2.533 -11.774 -1.733 51 HG23 THR 7 3HG2 THR 7 -3.894 -10.640 -1.890 52 H LEU 8 H LEU 8 -0.314 -7.450 -2.390 53 HA LEU 8 HA LEU 8 0.407 -6.856 -5.226 54 HB2 LEU 8 1HB LEU 8 0.147 -4.968 -2.894 55 HB3 LEU 8 2HB LEU 8 1.440 -4.743 -4.029 56 HG LEU 8 HG LEU 8 -0.069 -3.180 -4.643 57 HD11 LEU 8 1HD1 LEU 8 -0.851 -3.746 -6.845 58 HD12 LEU 8 2HD1 LEU 8 -0.765 -5.487 -6.478 59 HD13 LEU 8 3HD1 LEU 8 0.718 -4.506 -6.552 60 HD21 LEU 8 1HD2 LEU 8 -2.423 -3.431 -4.921 61 HD22 LEU 8 2HD2 LEU 8 -1.947 -3.964 -3.296 62 HD23 LEU 8 3HD2 LEU 8 -2.332 -5.171 -4.549 63 H CYS 9 H CYS 9 2.390 -7.687 -5.595 64 HA CYS 9 HA CYS 9 4.366 -7.538 -3.359 65 HB2 CYS 9 1HB CYS 9 3.080 -9.818 -3.695 66 HB3 CYS 9 2HB CYS 9 4.231 -10.033 -5.020 67 H GLY 10 H GLY 10 6.014 -6.347 -4.115 68 HA2 GLY 10 1HA GLY 10 8.041 -6.468 -5.465 69 HA3 GLY 10 2HA GLY 10 7.073 -7.075 -6.811 70 H GLY 11 H GLY 11 7.543 -5.518 -8.337 71 HA2 GLY 11 1HA GLY 11 7.714 -2.730 -7.724 72 HA3 GLY 11 2HA GLY 11 7.546 -3.437 -9.340 73 H GLU 12 H GLU 12 5.016 -4.815 -8.543 74 HA GLU 12 HA GLU 12 3.151 -2.784 -9.306 75 HB2 GLU 12 1HB GLU 12 1.480 -4.582 -8.688 76 HB3 GLU 12 2HB GLU 12 2.720 -5.065 -9.852 77 HG2 GLU 12 1HG GLU 12 3.995 -6.202 -8.081 78 HG3 GLU 12 2HG GLU 12 2.801 -5.697 -6.877 79 H LEU 13 H LEU 13 4.286 -3.952 -6.159 80 HA LEU 13 HA LEU 13 2.163 -2.710 -4.625 81 HB2 LEU 13 1HB LEU 13 3.598 -4.523 -3.741 82 HB3 LEU 13 2HB LEU 13 5.008 -3.493 -3.877 83 HG LEU 13 HG LEU 13 4.340 -2.117 -2.078 84 HD11 LEU 13 1HD1 LEU 13 1.718 -3.634 -1.905 85 HD12 LEU 13 2HD1 LEU 13 1.898 -1.964 -2.494 86 HD13 LEU 13 3HD1 LEU 13 2.276 -2.356 -0.817 87 HD21 LEU 13 1HD2 LEU 13 5.379 -4.214 -1.470 88 HD22 LEU 13 2HD2 LEU 13 3.798 -5.036 -1.459 89 HD23 LEU 13 3HD2 LEU 13 4.158 -3.785 -0.254 90 H VAL 14 H VAL 14 5.387 -1.766 -5.783 91 HA VAL 14 HA VAL 14 5.510 0.736 -4.398 92 HB VAL 14 HB VAL 14 6.836 -0.051 -7.041 93 HG11 VAL 14 1HG1 VAL 14 7.492 2.160 -5.052 94 HG12 VAL 14 2HG1 VAL 14 8.507 1.696 -6.438 95 HG13 VAL 14 3HG1 VAL 14 6.891 2.376 -6.713 96 HG21 VAL 14 1HG2 VAL 14 7.436 -1.631 -5.253 97 HG22 VAL 14 2HG2 VAL 14 8.816 -0.585 -5.629 98 HG23 VAL 14 3HG2 VAL 14 7.846 -0.279 -4.172 99 H ASP 15 H ASP 15 4.277 -0.219 -7.620 100 HA ASP 15 HA ASP 15 3.604 2.393 -8.544 101 HB2 ASP 15 1HB ASP 15 3.601 0.357 -9.952 102 HB3 ASP 15 2HB ASP 15 2.219 -0.274 -9.047 103 H THR 16 H THR 16 1.649 -0.038 -6.748 104 HA THR 16 HA THR 16 -0.670 1.555 -6.505 105 HB THR 16 HB THR 16 0.348 -0.425 -4.395 106 HG1 THR 16 1HG THR 16 0.340 -1.378 -6.497 107 HG21 THR 16 1HG2 THR 16 -2.024 -0.799 -4.028 108 HG22 THR 16 2HG2 THR 16 -2.442 0.383 -5.295 109 HG23 THR 16 3HG2 THR 16 -1.642 0.923 -3.798 110 H LEU 17 H LEU 17 2.226 1.373 -4.407 111 HA LEU 17 HA LEU 17 1.207 3.080 -2.341 112 HB2 LEU 17 1HB LEU 17 3.951 2.278 -3.297 113 HB3 LEU 17 2HB LEU 17 3.780 3.532 -2.076 114 HG LEU 17 HG LEU 17 2.327 0.976 -1.592 115 HD11 LEU 17 1HD1 LEU 17 4.294 -0.073 -0.673 116 HD12 LEU 17 2HD1 LEU 17 5.306 1.273 -1.242 117 HD13 LEU 17 3HD1 LEU 17 4.470 0.213 -2.401 118 HD21 LEU 17 1HD2 LEU 17 2.917 1.483 0.720 119 HD22 LEU 17 2HD2 LEU 17 2.229 2.931 -0.039 120 HD23 LEU 17 3HD2 LEU 17 3.986 2.802 0.196 121 H GLN 18 H GLN 18 2.998 3.781 -5.373 122 HA GLN 18 HA GLN 18 3.313 6.588 -4.779 123 HB2 GLN 18 1HB GLN 18 3.299 5.019 -7.379 124 HB3 GLN 18 2HB GLN 18 3.640 6.754 -7.294 125 HG2 GLN 18 1HG GLN 18 5.583 6.371 -5.904 126 HG3 GLN 18 2HG GLN 18 5.221 4.651 -5.785 127 HE21 GLN 18 1HE2 GLN 18 7.766 5.648 -8.493 128 HE22 GLN 18 2HE2 GLN 18 7.475 6.396 -6.944 129 H PHE 19 H PHE 19 0.819 4.683 -6.504 130 HA PHE 19 HA PHE 19 -0.727 6.944 -7.332 131 HB2 PHE 19 1HB PHE 19 -0.963 4.693 -8.282 132 HB3 PHE 19 2HB PHE 19 -1.561 4.082 -6.738 133 HD1 PHE 19 1HD PHE 19 -2.354 6.347 -9.584 134 HD2 PHE 19 2HD PHE 19 -3.847 4.361 -6.073 135 HE1 PHE 19 1HE PHE 19 -4.680 6.961 -10.234 136 HE2 PHE 19 2HE PHE 19 -6.178 4.967 -6.712 137 HZ PHE 19 HZ PHE 19 -6.599 6.273 -8.795 138 H VAL 20 H VAL 20 -1.190 4.767 -4.474 139 HA VAL 20 HA VAL 20 -3.528 6.202 -3.637 140 HB VAL 20 HB VAL 20 -2.954 3.787 -3.082 141 HG11 VAL 20 1HG1 VAL 20 -0.608 4.294 -2.285 142 HG12 VAL 20 2HG1 VAL 20 -1.328 4.949 -0.797 143 HG13 VAL 20 3HG1 VAL 20 -1.571 3.249 -1.240 144 HG21 VAL 20 1HG2 VAL 20 -4.811 4.973 -1.971 145 HG22 VAL 20 2HG2 VAL 20 -4.028 3.807 -0.878 146 HG23 VAL 20 3HG2 VAL 20 -3.693 5.544 -0.711 147 H CYS 21 H CYS 21 -0.107 6.642 -2.937 148 HA CYS 21 HA CYS 21 -0.761 8.416 -0.666 149 HB2 CYS 21 1HB CYS 21 1.048 6.579 -0.703 150 HB3 CYS 21 2HB CYS 21 1.997 7.709 -1.676 151 H GLY 22 H GLY 22 1.030 8.604 -3.797 152 HA2 GLY 22 1HA GLY 22 1.190 10.568 -5.101 153 HA3 GLY 22 2HA GLY 22 0.723 11.553 -3.699 154 H ASP 23 H ASP 23 2.796 12.468 -4.991 155 HA ASP 23 HA ASP 23 5.325 11.323 -4.579 156 HB2 ASP 23 1HB ASP 23 4.586 14.235 -4.981 157 HB3 ASP 23 2HB ASP 23 6.174 13.511 -5.293 158 H ARG 24 H ARG 24 3.641 12.207 -1.926 159 HA ARG 24 HA ARG 24 5.698 13.811 -0.583 160 HB2 ARG 24 1HB ARG 24 4.335 13.615 1.380 161 HB3 ARG 24 2HB ARG 24 3.275 13.934 0.005 162 HG2 ARG 24 1HG ARG 24 3.525 11.078 0.356 163 HG3 ARG 24 2HG ARG 24 3.122 11.821 1.901 164 HD2 ARG 24 1HD ARG 24 1.658 12.262 -0.701 165 HD3 ARG 24 2HD ARG 24 1.150 11.153 0.580 166 HE ARG 24 HE ARG 24 1.420 13.660 1.782 167 HH11 ARG 24 1HH1 ARG 24 -0.596 12.192 -0.725 168 HH12 ARG 24 2HH1 ARG 24 -1.919 13.298 -0.429 169 HH21 ARG 24 1HH2 ARG 24 -0.314 15.021 2.109 170 HH22 ARG 24 2HH2 ARG 24 -1.761 14.863 1.152 171 H GLY 25 H GLY 25 5.435 10.588 -1.488 172 HA2 GLY 25 1HA GLY 25 7.072 8.959 -1.118 173 HA3 GLY 25 2HA GLY 25 7.702 9.889 0.249 174 H PHE 26 H PHE 26 7.532 7.230 0.511 175 HA PHE 26 HA PHE 26 5.558 6.881 2.652 176 HB2 PHE 26 1HB PHE 26 4.823 4.678 1.603 177 HB3 PHE 26 2HB PHE 26 4.171 6.139 0.855 178 HD1 PHE 26 1HD PHE 26 6.713 3.433 0.428 179 HD2 PHE 26 2HD PHE 26 4.603 6.701 -1.414 180 HE1 PHE 26 1HE PHE 26 7.583 2.740 -1.798 181 HE2 PHE 26 2HE PHE 26 5.465 6.018 -3.629 182 HZ PHE 26 HZ PHE 26 6.948 4.032 -3.831 183 H TYR 27 H TYR 27 6.003 4.778 3.772 184 HA TYR 27 HA TYR 27 8.907 4.074 3.476 185 HB2 TYR 27 1HB TYR 27 7.103 4.054 5.925 186 HB3 TYR 27 2HB TYR 27 8.755 3.429 5.877 187 HD1 TYR 27 1HD TYR 27 6.703 6.386 6.332 188 HD2 TYR 27 2HD TYR 27 10.675 5.053 5.329 189 HE1 TYR 27 1HE TYR 27 7.617 8.638 6.909 190 HE2 TYR 27 2HE TYR 27 11.567 7.319 5.882 191 HH TYR 27 HH TYR 27 9.455 9.973 6.994 192 H PHE 28 H PHE 28 9.440 1.927 3.330 193 HA PHE 28 HA PHE 28 7.229 0.097 2.723 194 HB2 PHE 28 1HB PHE 28 9.994 0.347 2.029 195 HB3 PHE 28 2HB PHE 28 9.771 -1.226 2.802 196 HD1 PHE 28 1HD PHE 28 8.198 0.960 0.160 197 HD2 PHE 28 2HD PHE 28 9.029 -3.042 1.513 198 HE1 PHE 28 1HE PHE 28 7.270 0.054 -1.962 199 HE2 PHE 28 2HE PHE 28 8.096 -3.955 -0.610 200 HZ PHE 28 HZ PHE 28 7.214 -2.405 -2.353 201 H SER 29 H SER 29 8.731 1.075 5.532 202 HA SER 29 HA SER 29 7.954 -1.415 6.954 203 HB2 SER 29 1HB SER 29 10.560 0.121 7.336 204 HB3 SER 29 2HB SER 29 10.000 -1.236 8.337 205 HG SER 29 HG SER 29 9.986 -2.497 6.365 206 H ARG 30 H ARG 30 7.259 -0.976 9.144 207 HA ARG 30 HA ARG 30 6.161 1.613 9.513 208 HB2 ARG 30 1HB ARG 30 6.578 -0.555 11.562 209 HB3 ARG 30 2HB ARG 30 5.664 0.921 11.849 210 HG2 ARG 30 1HG ARG 30 4.995 -1.155 9.757 211 HG3 ARG 30 2HG ARG 30 4.290 -1.068 11.381 212 HD2 ARG 30 1HD ARG 30 3.558 1.291 10.857 213 HD3 ARG 30 2HD ARG 30 4.080 1.018 9.184 214 HE ARG 30 HE ARG 30 2.268 -1.041 10.058 215 HH11 ARG 30 1HH1 ARG 30 2.325 2.297 8.905 216 HH12 ARG 30 2HH1 ARG 30 0.692 2.205 8.302 217 HH21 ARG 30 1HH2 ARG 30 0.171 -1.060 9.262 218 HH22 ARG 30 2HH2 ARG 30 -0.486 0.367 8.496 219 HA PRO 31 HA PRO 31 9.565 2.820 12.366 220 HB2 PRO 31 1HB PRO 31 11.854 1.362 12.621 221 HB3 PRO 31 2HB PRO 31 10.397 1.118 13.626 222 HG2 PRO 31 1HG PRO 31 11.331 -0.448 11.218 223 HG3 PRO 31 2HG PRO 31 10.646 -1.059 12.752 224 HD2 PRO 31 1HD PRO 31 9.221 -0.747 10.424 225 HD3 PRO 31 2HD PRO 31 8.507 -0.702 12.059 226 H ALA 32 H ALA 32 10.517 4.438 11.468 227 HA ALA 32 HA ALA 32 11.767 4.238 8.817 228 HB1 ALA 32 1HB ALA 32 11.507 6.600 10.736 229 HB2 ALA 32 2HB ALA 32 12.019 6.682 9.035 230 HB3 ALA 32 3HB ALA 32 10.358 6.187 9.435 231 H SER 33 H SER 33 12.676 4.261 12.150 232 HA SER 33 HA SER 33 14.657 4.255 13.291 233 HB2 SER 33 1HB SER 33 15.024 2.274 11.731 234 HB3 SER 33 2HB SER 33 15.966 3.363 10.694 235 HG SER 33 HG SER 33 17.059 2.040 12.441 236 H ARG 34 H ARG 34 17.320 4.888 12.229 237 HA ARG 34 HA ARG 34 16.910 7.709 11.309 238 HB2 ARG 34 1HB ARG 34 18.817 6.692 13.453 239 HB3 ARG 34 2HB ARG 34 18.912 8.287 12.702 240 HG2 ARG 34 1HG ARG 34 16.518 8.676 13.442 241 HG3 ARG 34 2HG ARG 34 16.673 7.211 14.431 242 HD2 ARG 34 1HD ARG 34 18.570 8.219 15.636 243 HD3 ARG 34 2HD ARG 34 18.467 9.660 14.601 244 HE ARG 34 HE ARG 34 15.937 9.168 15.845 245 HH11 ARG 34 1HH1 ARG 34 19.140 10.431 16.628 246 HH12 ARG 34 2HH1 ARG 34 18.530 11.432 17.919 247 HH21 ARG 34 1HH2 ARG 34 15.234 10.472 17.505 248 HH22 ARG 34 2HH2 ARG 34 16.361 11.452 18.403 249 H VAL 35 H VAL 35 17.591 4.996 10.073 250 HA VAL 35 HA VAL 35 19.940 5.989 8.553 251 HB VAL 35 HB VAL 35 20.737 3.571 8.350 252 HG11 VAL 35 1HG1 VAL 35 21.892 5.255 9.761 253 HG12 VAL 35 2HG1 VAL 35 20.874 4.791 11.142 254 HG13 VAL 35 3HG1 VAL 35 22.016 3.619 10.442 255 HG21 VAL 35 1HG2 VAL 35 20.136 1.971 10.127 256 HG22 VAL 35 2HG2 VAL 35 19.001 3.135 10.837 257 HG23 VAL 35 3HG2 VAL 35 18.680 2.439 9.232 258 H SER 36 H SER 36 19.559 5.963 6.422 259 HA SER 36 HA SER 36 16.915 5.066 5.565 260 HB2 SER 36 1HB SER 36 17.891 7.212 4.817 261 HB3 SER 36 2HB SER 36 19.171 6.324 3.961 262 HG SER 36 HG SER 36 17.191 6.982 2.744 263 H ARG 37 H ARG 37 16.968 2.805 5.711 264 HA ARG 37 HA ARG 37 18.979 1.349 4.110 265 HB2 ARG 37 1HB ARG 37 16.635 0.517 5.831 266 HB3 ARG 37 2HB ARG 37 17.344 -0.604 4.667 267 HG2 ARG 37 1HG ARG 37 19.597 -0.156 5.753 268 HG3 ARG 37 2HG ARG 37 18.715 0.679 7.045 269 HD2 ARG 37 1HD ARG 37 19.169 -1.629 7.703 270 HD3 ARG 37 2HD ARG 37 17.421 -1.413 7.478 271 HE ARG 37 HE ARG 37 18.197 -2.338 5.031 272 HH11 ARG 37 1HH1 ARG 37 18.748 -3.617 8.277 273 HH12 ARG 37 2HH1 ARG 37 18.818 -5.262 7.706 274 HH21 ARG 37 1HH2 ARG 37 18.276 -4.446 4.387 275 HH22 ARG 37 2HH2 ARG 37 18.579 -5.719 5.540 276 H ARG 38 H ARG 38 18.808 1.512 1.998 277 HA ARG 38 HA ARG 38 16.243 1.597 0.587 278 HB2 ARG 38 1HB ARG 38 17.622 1.515 -1.436 279 HB3 ARG 38 2HB ARG 38 18.234 2.724 -0.306 280 HG2 ARG 38 1HG ARG 38 20.031 1.157 0.405 281 HG3 ARG 38 2HG ARG 38 19.410 -0.058 -0.727 282 HD2 ARG 38 1HD ARG 38 21.256 1.017 -1.791 283 HD3 ARG 38 2HD ARG 38 19.780 1.595 -2.592 284 HE ARG 38 HE ARG 38 20.392 3.407 -0.510 285 HH11 ARG 38 1HH1 ARG 38 21.810 2.411 -3.588 286 HH12 ARG 38 2HH1 ARG 38 22.603 3.946 -3.822 287 HH21 ARG 38 1HH2 ARG 38 21.424 5.339 -0.884 288 HH22 ARG 38 2HH2 ARG 38 22.383 5.570 -2.320 289 H SER 39 H SER 39 16.909 -0.676 2.401 290 HA SER 39 HA SER 39 16.165 -2.897 0.610 291 HB2 SER 39 1HB SER 39 18.617 -3.058 0.686 292 HB3 SER 39 2HB SER 39 18.592 -2.924 2.454 293 HG SER 39 HG SER 39 17.534 -5.035 0.871 294 HA PRO 40 HA PRO 40 14.005 -2.715 4.673 295 HB2 PRO 40 1HB PRO 40 11.491 -3.262 3.825 296 HB3 PRO 40 2HB PRO 40 12.217 -1.641 3.569 297 HG2 PRO 40 1HG PRO 40 12.056 -3.966 1.658 298 HG3 PRO 40 2HG PRO 40 11.569 -2.262 1.397 299 HD2 PRO 40 1HD PRO 40 13.978 -3.230 0.590 300 HD3 PRO 40 2HD PRO 40 13.776 -1.541 1.173 301 H GLN 41 H GLN 41 12.591 -4.483 5.741 302 HA GLN 41 HA GLN 41 13.207 -7.172 4.590 303 HB2 GLN 41 1HB GLN 41 14.557 -6.683 6.622 304 HB3 GLN 41 2HB GLN 41 13.067 -6.348 7.515 305 HG2 GLN 41 1HG GLN 41 12.317 -8.673 7.076 306 HG3 GLN 41 2HG GLN 41 13.865 -8.998 6.286 307 HE21 GLN 41 1HE2 GLN 41 15.305 -9.937 9.298 308 HE22 GLN 41 2HE2 GLN 41 15.163 -10.133 7.568 309 H ARG 42 H ARG 42 11.005 -5.254 6.674 310 HA ARG 42 HA ARG 42 8.729 -6.866 5.712 311 HB2 ARG 42 1HB ARG 42 7.978 -7.040 8.125 312 HB3 ARG 42 2HB ARG 42 9.223 -8.161 7.592 313 HG2 ARG 42 1HG ARG 42 10.894 -7.075 8.851 314 HG3 ARG 42 2HG ARG 42 9.921 -5.599 9.053 315 HD2 ARG 42 1HD ARG 42 10.069 -7.184 11.087 316 HD3 ARG 42 2HD ARG 42 8.462 -6.615 10.599 317 HE ARG 42 HE ARG 42 7.870 -8.741 9.828 318 HH11 ARG 42 1HH1 ARG 42 11.247 -8.812 10.945 319 HH12 ARG 42 2HH1 ARG 42 11.286 -10.553 10.942 320 HH21 ARG 42 1HH2 ARG 42 8.027 -10.895 9.788 321 HH22 ARG 42 2HH2 ARG 42 9.483 -11.726 10.317 322 H GLY 43 H GLY 43 6.639 -5.925 6.575 323 HA2 GLY 43 1HA GLY 43 5.939 -3.680 7.714 324 HA3 GLY 43 2HA GLY 43 6.912 -2.979 6.411 325 H ILE 44 H ILE 44 5.778 -2.320 4.712 326 HA ILE 44 HA ILE 44 3.041 -2.894 4.290 327 HB ILE 44 HB ILE 44 4.276 -0.926 3.326 328 HG12 ILE 44 1HG1 ILE 44 3.428 -1.178 0.900 329 HG13 ILE 44 2HG1 ILE 44 2.810 -2.740 1.393 330 HG21 ILE 44 1HG2 ILE 44 5.429 -2.877 1.281 331 HG22 ILE 44 2HG2 ILE 44 5.712 -1.129 1.390 332 HG23 ILE 44 3HG2 ILE 44 6.347 -2.216 2.641 333 HD11 ILE 44 1HD1 ILE 44 1.412 -1.639 3.078 334 HD12 ILE 44 2HD1 ILE 44 2.042 -0.055 2.538 335 HD13 ILE 44 3HD1 ILE 44 1.108 -1.076 1.421 336 H VAL 45 H VAL 45 5.927 -4.596 3.150 337 HA VAL 45 HA VAL 45 4.588 -6.234 1.239 338 HB VAL 45 HB VAL 45 6.993 -5.882 1.284 339 HG11 VAL 45 1HG1 VAL 45 7.102 -7.602 3.753 340 HG12 VAL 45 2HG1 VAL 45 8.496 -6.989 2.839 341 HG13 VAL 45 3HG1 VAL 45 7.424 -5.846 3.668 342 HG21 VAL 45 1HG2 VAL 45 6.094 -7.822 0.102 343 HG22 VAL 45 2HG2 VAL 45 7.731 -8.122 0.722 344 HG23 VAL 45 3HG2 VAL 45 6.325 -8.806 1.565 345 H GLU 46 H GLU 46 4.962 -6.535 4.771 346 HA GLU 46 HA GLU 46 4.210 -9.300 4.660 347 HB2 GLU 46 1HB GLU 46 4.317 -7.323 6.955 348 HB3 GLU 46 2HB GLU 46 3.741 -8.984 7.152 349 HG2 GLU 46 1HG GLU 46 5.926 -9.786 6.214 350 HG3 GLU 46 2HG GLU 46 6.500 -8.111 6.281 351 H GLU 47 H GLU 47 2.605 -6.208 4.966 352 HA GLU 47 HA GLU 47 0.030 -7.292 5.684 353 HB2 GLU 47 1HB GLU 47 0.781 -4.609 4.473 354 HB3 GLU 47 2HB GLU 47 -0.771 -5.015 5.215 355 HG2 GLU 47 1HG GLU 47 1.918 -4.939 6.621 356 HG3 GLU 47 2HG GLU 47 0.652 -3.718 6.737 357 H CYS 48 H CYS 48 1.518 -6.286 2.581 358 HA CYS 48 HA CYS 48 -1.062 -6.935 1.253 359 HB2 CYS 48 1HB CYS 48 1.338 -5.351 0.307 360 HB3 CYS 48 2HB CYS 48 -0.125 -5.641 -0.640 361 H CYS 49 H CYS 49 1.989 -8.454 1.609 362 HA CYS 49 HA CYS 49 1.438 -10.014 -0.896 363 HB2 CYS 49 1HB CYS 49 3.512 -8.716 -1.080 364 HB3 CYS 49 2HB CYS 49 4.122 -9.460 0.400 365 H PHE 50 H PHE 50 2.769 -10.218 2.452 366 HA PHE 50 HA PHE 50 2.500 -13.151 2.399 367 HB2 PHE 50 1HB PHE 50 3.176 -11.173 4.597 368 HB3 PHE 50 2HB PHE 50 3.002 -12.902 4.878 369 HD1 PHE 50 1HD PHE 50 5.058 -10.341 3.105 370 HD2 PHE 50 2HD PHE 50 4.700 -14.466 4.256 371 HE1 PHE 50 1HE PHE 50 7.432 -10.712 2.465 372 HE2 PHE 50 2HE PHE 50 7.076 -14.853 3.614 373 HZ PHE 50 HZ PHE 50 8.448 -12.972 2.719 374 H ARG 51 H ARG 51 0.473 -10.476 2.853 375 HA ARG 51 HA ARG 51 -1.775 -12.214 3.659 376 HB2 ARG 51 1HB ARG 51 -1.009 -9.616 5.077 377 HB3 ARG 51 2HB ARG 51 -2.603 -10.370 5.184 378 HG2 ARG 51 1HG ARG 51 -1.372 -12.457 5.962 379 HG3 ARG 51 2HG ARG 51 0.013 -11.389 6.253 380 HD2 ARG 51 1HD ARG 51 -2.774 -11.018 7.404 381 HD3 ARG 51 2HD ARG 51 -1.425 -11.782 8.259 382 HE ARG 51 HE ARG 51 -0.555 -9.221 7.439 383 HH11 ARG 51 1HH1 ARG 51 -2.955 -10.587 9.636 384 HH12 ARG 51 2HH1 ARG 51 -2.889 -9.219 10.714 385 HH21 ARG 51 1HH2 ARG 51 -0.520 -7.489 8.881 386 HH22 ARG 51 2HH2 ARG 51 -1.547 -7.518 10.290 387 H SER 52 H SER 52 -3.793 -10.616 3.430 388 HA SER 52 HA SER 52 -3.398 -9.077 0.898 389 HB2 SER 52 1HB SER 52 -5.914 -9.141 0.827 390 HB3 SER 52 2HB SER 52 -5.151 -10.744 0.733 391 HG SER 52 HG SER 52 -6.988 -10.386 2.274 392 H CYS 53 H CYS 53 -4.308 -6.911 0.804 393 HA CYS 53 HA CYS 53 -4.860 -5.681 3.455 394 HB2 CYS 53 1HB CYS 53 -3.269 -3.909 3.058 395 HB3 CYS 53 2HB CYS 53 -2.425 -5.453 2.960 396 H ASP 54 H ASP 54 -5.675 -3.435 3.198 397 HA ASP 54 HA ASP 54 -7.195 -3.102 0.637 398 HB2 ASP 54 1HB ASP 54 -8.678 -3.397 2.604 399 HB3 ASP 54 2HB ASP 54 -7.822 -2.082 3.436 400 H LEU 55 H LEU 55 -7.442 -0.831 -0.012 401 HA LEU 55 HA LEU 55 -4.964 0.570 -0.013 402 HB2 LEU 55 1HB LEU 55 -6.178 2.362 -1.084 403 HB3 LEU 55 2HB LEU 55 -6.641 0.809 -1.760 404 HG LEU 55 HG LEU 55 -8.576 1.279 0.207 405 HD11 LEU 55 1HD1 LEU 55 -8.024 3.851 -1.332 406 HD12 LEU 55 2HD1 LEU 55 -7.771 3.615 0.414 407 HD13 LEU 55 3HD1 LEU 55 -9.410 3.535 -0.260 408 HD21 LEU 55 1HD2 LEU 55 -8.946 0.281 -1.999 409 HD22 LEU 55 2HD2 LEU 55 -8.670 1.866 -2.776 410 HD23 LEU 55 3HD2 LEU 55 -10.074 1.617 -1.710 411 H ALA 56 H ALA 56 -7.744 0.793 2.208 412 HA ALA 56 HA ALA 56 -6.971 3.294 3.380 413 HB1 ALA 56 1HB ALA 56 -9.203 2.262 3.679 414 HB2 ALA 56 2HB ALA 56 -8.464 0.943 4.618 415 HB3 ALA 56 3HB ALA 56 -8.427 2.612 5.245 416 H LEU 57 H LEU 57 -6.172 -0.096 4.161 417 HA LEU 57 HA LEU 57 -4.587 0.538 6.494 418 HB2 LEU 57 1HB LEU 57 -5.563 -1.696 6.024 419 HB3 LEU 57 2HB LEU 57 -4.507 -1.867 4.620 420 HG LEU 57 HG LEU 57 -3.150 -1.249 7.183 421 HD11 LEU 57 1HD1 LEU 57 -4.476 -3.941 6.683 422 HD12 LEU 57 2HD1 LEU 57 -4.879 -2.784 7.976 423 HD13 LEU 57 3HD1 LEU 57 -3.298 -3.597 7.971 424 HD21 LEU 57 1HD2 LEU 57 -2.632 -3.341 5.041 425 HD22 LEU 57 2HD2 LEU 57 -1.559 -2.933 6.393 426 HD23 LEU 57 3HD2 LEU 57 -1.877 -1.734 5.126 427 H LEU 58 H LEU 58 -3.975 0.030 3.060 428 HA LEU 58 HA LEU 58 -1.156 0.066 3.079 429 HB2 LEU 58 1HB LEU 58 -2.937 -0.448 1.266 430 HB3 LEU 58 2HB LEU 58 -2.910 1.268 0.936 431 HG LEU 58 HG LEU 58 -0.695 -0.728 0.514 432 HD11 LEU 58 1HD1 LEU 58 -2.311 1.047 -1.299 433 HD12 LEU 58 2HD1 LEU 58 -2.513 -0.714 -1.080 434 HD13 LEU 58 3HD1 LEU 58 -1.013 -0.076 -1.791 435 HD21 LEU 58 1HD2 LEU 58 0.422 1.258 -0.640 436 HD22 LEU 58 2HD2 LEU 58 0.501 1.200 1.126 437 HD23 LEU 58 3HD2 LEU 58 -0.651 2.279 0.334 438 H GLU 59 H GLU 59 -3.512 2.745 2.767 439 HA GLU 59 HA GLU 59 -1.759 4.850 2.200 440 HB2 GLU 59 1HB GLU 59 -4.251 4.960 2.210 441 HB3 GLU 59 2HB GLU 59 -4.230 4.905 3.974 442 HG2 GLU 59 1HG GLU 59 -2.906 7.041 3.962 443 HG3 GLU 59 2HG GLU 59 -3.145 7.118 2.212 444 H THR 60 H THR 60 -2.342 3.275 5.321 445 HA THR 60 HA THR 60 -1.254 5.342 6.940 446 HB THR 60 HB THR 60 -1.124 3.736 8.726 447 HG1 THR 60 1HG THR 60 -1.540 1.706 6.754 448 HG21 THR 60 1HG2 THR 60 -3.367 2.852 8.727 449 HG22 THR 60 2HG2 THR 60 -3.444 2.867 6.954 450 HG23 THR 60 3HG2 THR 60 -3.423 4.400 7.855 451 H TYR 61 H TYR 61 0.414 3.252 4.759 452 HA TYR 61 HA TYR 61 2.976 3.428 6.231 453 HB2 TYR 61 1HB TYR 61 2.088 2.184 3.636 454 HB3 TYR 61 2HB TYR 61 3.798 2.433 3.977 455 HD1 TYR 61 1HD TYR 61 0.806 0.478 4.897 456 HD2 TYR 61 2HD TYR 61 4.933 1.276 5.828 457 HE1 TYR 61 1HE TYR 61 0.914 -1.618 6.243 458 HE2 TYR 61 2HE TYR 61 5.021 -0.804 7.196 459 HH TYR 61 HH TYR 61 2.296 -3.055 7.459 460 H CYS 62 H CYS 62 1.217 5.611 4.454 461 HA CYS 62 HA CYS 62 3.138 6.887 2.780 462 HB2 CYS 62 1HB CYS 62 0.793 7.870 4.410 463 HB3 CYS 62 2HB CYS 62 1.833 9.011 3.559 464 H ALA 63 H ALA 63 4.427 8.796 3.124 465 HA ALA 63 HA ALA 63 5.932 8.684 5.599 466 HB1 ALA 63 1HB ALA 63 5.970 10.702 3.315 467 HB2 ALA 63 2HB ALA 63 7.159 10.622 4.636 468 HB3 ALA 63 3HB ALA 63 7.023 9.276 3.485 469 H THR 64 H THR 64 3.214 10.534 4.410 470 HA THR 64 HA THR 64 3.327 12.467 6.616 471 HB THR 64 HB THR 64 0.936 12.962 5.704 472 HG1 THR 64 1HG THR 64 0.759 11.004 4.508 473 HG21 THR 64 1HG2 THR 64 3.326 13.331 3.863 474 HG22 THR 64 2HG2 THR 64 2.929 14.356 5.266 475 HG23 THR 64 3HG2 THR 64 1.829 14.295 3.872 476 HA PRO 65 HA PRO 65 1.136 9.820 9.299 477 HB2 PRO 65 1HB PRO 65 -0.223 11.497 10.940 478 HB3 PRO 65 2HB PRO 65 1.568 11.488 10.895 479 HG2 PRO 65 1HG PRO 65 -0.347 13.290 9.460 480 HG3 PRO 65 2HG PRO 65 1.040 13.711 10.500 481 HD2 PRO 65 1HD PRO 65 1.242 13.631 7.793 482 HD3 PRO 65 2HD PRO 65 2.612 13.137 8.839 483 H ALA 66 H ALA 66 -1.110 9.419 10.279 484 HA ALA 66 HA ALA 66 -2.960 8.954 8.159 485 HB1 ALA 66 1HB ALA 66 -3.414 8.957 11.185 486 HB2 ALA 66 2HB ALA 66 -4.498 8.232 9.973 487 HB3 ALA 66 3HB ALA 66 -2.867 7.565 10.217 488 H LYS 67 H LYS 67 -4.950 9.908 7.708 489 HA LYS 67 HA LYS 67 -5.022 12.798 8.032 490 HB2 LYS 67 1HB LYS 67 -7.005 10.845 6.803 491 HB3 LYS 67 2HB LYS 67 -7.046 12.602 6.596 492 HG2 LYS 67 1HG LYS 67 -4.977 12.579 5.342 493 HG3 LYS 67 2HG LYS 67 -4.702 10.868 5.724 494 HD2 LYS 67 1HD LYS 67 -6.759 10.258 4.503 495 HD3 LYS 67 2HD LYS 67 -6.977 11.959 4.030 496 HE2 LYS 67 1HE LYS 67 -4.960 11.940 2.725 497 HE3 LYS 67 2HE LYS 67 -4.430 10.406 3.452 498 HZ1 LYS 67 1HZ LYS 67 -6.151 9.244 2.329 499 HZ2 LYS 67 2HZ LYS 67 -5.360 10.145 1.200 500 HZ3 LYS 67 3HZ LYS 67 -6.837 10.636 1.748 501 H SER 68 H SER 68 -5.382 11.188 10.514 502 HA SER 68 HA SER 68 -8.194 11.430 11.257 503 HB2 SER 68 1HB SER 68 -5.751 10.833 12.969 504 HB3 SER 68 2HB SER 68 -7.451 10.529 13.394 505 HG SER 68 HG SER 68 -6.561 8.631 12.613 506 H GLU 69 H GLU 69 -8.080 13.797 10.644 507 HA GLU 69 HA GLU 69 -7.572 15.392 13.134 508 HB2 GLU 69 1HB GLU 69 -6.834 16.281 10.298 509 HB3 GLU 69 2HB GLU 69 -6.872 17.343 11.707 510 HG2 GLU 69 1HG GLU 69 -5.172 15.852 12.844 511 HG3 GLU 69 2HG GLU 69 -5.060 14.892 11.368 Start of MODEL 13 1 HA ALA 1 HA ALA 1 -15.018 -12.785 -9.709 2 HB1 ALA 1 1HB ALA 1 -16.395 -10.047 -9.634 3 HB2 ALA 1 2HB ALA 1 -14.916 -10.439 -10.528 4 HB3 ALA 1 3HB ALA 1 -16.456 -11.188 -10.991 5 H TYR 2 H TYR 2 -13.070 -11.852 -9.175 6 HA TYR 2 HA TYR 2 -12.841 -11.035 -6.318 7 HB2 TYR 2 1HB TYR 2 -10.921 -12.407 -8.238 8 HB3 TYR 2 2HB TYR 2 -10.476 -11.826 -6.641 9 HD1 TYR 2 1HD TYR 2 -11.620 -12.814 -4.578 10 HD2 TYR 2 2HD TYR 2 -12.018 -14.540 -8.504 11 HE1 TYR 2 1HE TYR 2 -12.405 -14.957 -3.565 12 HE2 TYR 2 2HE TYR 2 -12.802 -16.675 -7.478 13 HH TYR 2 HH TYR 2 -13.292 -17.789 -5.545 14 H ARG 3 H ARG 3 -11.009 -9.526 -5.892 15 HA ARG 3 HA ARG 3 -11.059 -7.242 -7.664 16 HB2 ARG 3 1HB ARG 3 -9.081 -8.002 -5.464 17 HB3 ARG 3 2HB ARG 3 -9.180 -6.422 -6.241 18 HG2 ARG 3 1HG ARG 3 -11.505 -6.186 -5.340 19 HG3 ARG 3 2HG ARG 3 -11.257 -7.702 -4.440 20 HD2 ARG 3 1HD ARG 3 -9.264 -6.690 -3.339 21 HD3 ARG 3 2HD ARG 3 -9.572 -5.178 -4.213 22 HE ARG 3 HE ARG 3 -11.885 -6.035 -2.711 23 HH11 ARG 3 1HH1 ARG 3 -8.788 -4.366 -2.325 24 HH12 ARG 3 2HH1 ARG 3 -9.362 -3.465 -0.940 25 HH21 ARG 3 1HH2 ARG 3 -12.493 -4.863 -0.909 26 HH22 ARG 3 2HH2 ARG 3 -11.362 -3.758 -0.145 27 HA PRO 4 HA PRO 4 -7.902 -8.635 -10.542 28 HB2 PRO 4 1HB PRO 4 -6.851 -5.817 -10.286 29 HB3 PRO 4 2HB PRO 4 -7.234 -6.749 -11.766 30 HG2 PRO 4 1HG PRO 4 -8.852 -4.826 -10.964 31 HG3 PRO 4 2HG PRO 4 -9.524 -6.388 -11.536 32 HD2 PRO 4 1HD PRO 4 -9.154 -5.412 -8.698 33 HD3 PRO 4 2HD PRO 4 -10.559 -6.235 -9.459 34 H SER 5 H SER 5 -7.163 -6.781 -7.637 35 HA SER 5 HA SER 5 -4.725 -8.403 -7.246 36 HB2 SER 5 1HB SER 5 -3.671 -6.390 -6.244 37 HB3 SER 5 2HB SER 5 -3.897 -6.295 -8.002 38 HG SER 5 HG SER 5 -5.527 -5.109 -5.998 39 H GLU 6 H GLU 6 -5.562 -9.671 -5.749 40 HA GLU 6 HA GLU 6 -7.096 -8.597 -3.475 41 HB2 GLU 6 1HB GLU 6 -5.986 -11.343 -4.148 42 HB3 GLU 6 2HB GLU 6 -6.950 -11.008 -2.708 43 HG2 GLU 6 1HG GLU 6 -7.920 -10.351 -5.511 44 HG3 GLU 6 2HG GLU 6 -8.153 -11.958 -4.792 45 H THR 7 H THR 7 -3.848 -9.288 -4.388 46 HA THR 7 HA THR 7 -2.880 -8.264 -1.784 47 HB THR 7 HB THR 7 -0.894 -9.814 -1.991 48 HG1 THR 7 1HG THR 7 -1.147 -11.614 -3.396 49 HG21 THR 7 1HG2 THR 7 -2.859 -10.405 -0.521 50 HG22 THR 7 2HG2 THR 7 -1.915 -11.795 -1.094 51 HG23 THR 7 3HG2 THR 7 -3.478 -11.409 -1.855 52 H LEU 8 H LEU 8 -0.692 -7.301 -2.214 53 HA LEU 8 HA LEU 8 -0.370 -6.470 -5.077 54 HB2 LEU 8 1HB LEU 8 -0.268 -4.866 -2.518 55 HB3 LEU 8 2HB LEU 8 0.554 -4.334 -3.973 56 HG LEU 8 HG LEU 8 -2.402 -4.821 -3.861 57 HD11 LEU 8 1HD1 LEU 8 -0.864 -2.242 -3.511 58 HD12 LEU 8 2HD1 LEU 8 -1.787 -3.094 -2.246 59 HD13 LEU 8 3HD1 LEU 8 -2.631 -2.391 -3.641 60 HD21 LEU 8 1HD2 LEU 8 -2.417 -3.404 -5.883 61 HD22 LEU 8 2HD2 LEU 8 -1.453 -4.873 -6.117 62 HD23 LEU 8 3HD2 LEU 8 -0.643 -3.313 -5.818 63 H CYS 9 H CYS 9 1.533 -7.081 -5.818 64 HA CYS 9 HA CYS 9 3.946 -6.921 -4.170 65 HB2 CYS 9 1HB CYS 9 2.480 -9.253 -3.954 66 HB3 CYS 9 2HB CYS 9 3.557 -9.640 -5.300 67 H GLY 10 H GLY 10 5.740 -8.129 -5.664 68 HA2 GLY 10 1HA GLY 10 6.780 -8.291 -7.716 69 HA3 GLY 10 2HA GLY 10 5.168 -8.544 -8.390 70 H GLY 11 H GLY 11 6.170 -5.543 -6.793 71 HA2 GLY 11 1HA GLY 11 6.863 -3.543 -7.833 72 HA3 GLY 11 2HA GLY 11 6.531 -4.245 -9.419 73 H GLU 12 H GLU 12 3.753 -5.128 -8.629 74 HA GLU 12 HA GLU 12 2.352 -2.736 -9.338 75 HB2 GLU 12 1HB GLU 12 1.507 -5.147 -9.522 76 HB3 GLU 12 2HB GLU 12 1.198 -5.072 -7.783 77 HG2 GLU 12 1HG GLU 12 -0.873 -4.512 -8.633 78 HG3 GLU 12 2HG GLU 12 -0.177 -2.912 -8.370 79 H LEU 13 H LEU 13 3.253 -4.189 -6.251 80 HA LEU 13 HA LEU 13 1.624 -2.603 -4.558 81 HB2 LEU 13 1HB LEU 13 2.930 -4.547 -3.803 82 HB3 LEU 13 2HB LEU 13 4.438 -3.704 -4.128 83 HG LEU 13 HG LEU 13 4.047 -2.147 -2.337 84 HD11 LEU 13 1HD1 LEU 13 2.127 -2.235 -0.864 85 HD12 LEU 13 2HD1 LEU 13 1.421 -3.566 -1.799 86 HD13 LEU 13 3HD1 LEU 13 1.571 -1.945 -2.514 87 HD21 LEU 13 1HD2 LEU 13 3.503 -5.023 -1.548 88 HD22 LEU 13 2HD2 LEU 13 3.997 -3.732 -0.427 89 HD23 LEU 13 3HD2 LEU 13 5.091 -4.236 -1.738 90 H VAL 14 H VAL 14 4.837 -1.943 -6.030 91 HA VAL 14 HA VAL 14 5.274 0.505 -4.577 92 HB VAL 14 HB VAL 14 6.480 -0.425 -7.232 93 HG11 VAL 14 1HG1 VAL 14 7.410 1.656 -5.209 94 HG12 VAL 14 2HG1 VAL 14 8.351 1.098 -6.614 95 HG13 VAL 14 3HG1 VAL 14 6.827 1.968 -6.861 96 HG21 VAL 14 1HG2 VAL 14 6.900 -2.088 -5.467 97 HG22 VAL 14 2HG2 VAL 14 8.392 -1.208 -5.842 98 HG23 VAL 14 3HG2 VAL 14 7.475 -0.808 -4.374 99 H ASP 15 H ASP 15 3.871 -0.380 -7.727 100 HA ASP 15 HA ASP 15 3.436 2.249 -8.733 101 HB2 ASP 15 1HB ASP 15 2.911 0.799 -10.383 102 HB3 ASP 15 2HB ASP 15 2.490 -0.487 -9.251 103 H THR 16 H THR 16 1.352 0.132 -6.698 104 HA THR 16 HA THR 16 -0.739 2.026 -6.397 105 HB THR 16 HB THR 16 0.146 -0.036 -4.320 106 HG1 THR 16 1HG THR 16 -0.657 -0.362 -6.864 107 HG21 THR 16 1HG2 THR 16 -2.488 1.320 -4.982 108 HG22 THR 16 2HG2 THR 16 -1.516 1.476 -3.494 109 HG23 THR 16 3HG2 THR 16 -2.299 -0.067 -3.888 110 H LEU 17 H LEU 17 2.229 1.518 -4.458 111 HA LEU 17 HA LEU 17 1.506 3.335 -2.366 112 HB2 LEU 17 1HB LEU 17 4.095 2.239 -3.425 113 HB3 LEU 17 2HB LEU 17 4.095 3.490 -2.179 114 HG LEU 17 HG LEU 17 2.339 1.093 -1.775 115 HD11 LEU 17 1HD1 LEU 17 4.124 -0.142 -0.784 116 HD12 LEU 17 2HD1 LEU 17 5.297 1.111 -1.260 117 HD13 LEU 17 3HD1 LEU 17 4.431 0.163 -2.494 118 HD21 LEU 17 1HD2 LEU 17 2.307 3.000 -0.191 119 HD22 LEU 17 2HD2 LEU 17 4.046 2.768 0.112 120 HD23 LEU 17 3HD2 LEU 17 2.881 1.507 0.573 121 H GLN 18 H GLN 18 3.114 3.788 -5.522 122 HA GLN 18 HA GLN 18 3.681 6.583 -5.104 123 HB2 GLN 18 1HB GLN 18 3.368 4.916 -7.609 124 HB3 GLN 18 2HB GLN 18 3.837 6.620 -7.625 125 HG2 GLN 18 1HG GLN 18 5.849 6.141 -6.348 126 HG3 GLN 18 2HG GLN 18 5.379 4.450 -6.172 127 HE21 GLN 18 1HE2 GLN 18 5.990 3.721 -9.679 128 HE22 GLN 18 2HE2 GLN 18 4.744 3.480 -8.476 129 H PHE 19 H PHE 19 0.898 4.797 -6.464 130 HA PHE 19 HA PHE 19 -0.536 7.119 -7.338 131 HB2 PHE 19 1HB PHE 19 -1.071 4.828 -8.054 132 HB3 PHE 19 2HB PHE 19 -1.530 4.402 -6.404 133 HD1 PHE 19 1HD PHE 19 -2.484 6.442 -9.360 134 HD2 PHE 19 2HD PHE 19 -3.680 4.963 -5.500 135 HE1 PHE 19 1HE PHE 19 -4.820 7.186 -9.804 136 HE2 PHE 19 2HE PHE 19 -6.020 5.696 -5.936 137 HZ PHE 19 HZ PHE 19 -6.595 6.814 -8.090 138 H VAL 20 H VAL 20 -0.775 5.237 -4.263 139 HA VAL 20 HA VAL 20 -2.816 7.014 -3.271 140 HB VAL 20 HB VAL 20 -2.585 4.558 -2.688 141 HG11 VAL 20 1HG1 VAL 20 -0.555 5.452 -0.620 142 HG12 VAL 20 2HG1 VAL 20 -1.093 3.812 -1.029 143 HG13 VAL 20 3HG1 VAL 20 -0.099 4.718 -2.170 144 HG21 VAL 20 1HG2 VAL 20 -3.414 4.800 -0.417 145 HG22 VAL 20 2HG2 VAL 20 -2.734 6.442 -0.322 146 HG23 VAL 20 3HG2 VAL 20 -4.065 6.095 -1.448 147 H CYS 21 H CYS 21 0.705 7.001 -2.927 148 HA CYS 21 HA CYS 21 0.549 9.580 -1.514 149 HB2 CYS 21 1HB CYS 21 0.790 7.089 -0.101 150 HB3 CYS 21 2HB CYS 21 2.295 7.977 0.095 151 H GLY 22 H GLY 22 1.912 8.553 -4.078 152 HA2 GLY 22 1HA GLY 22 4.668 8.224 -3.577 153 HA3 GLY 22 2HA GLY 22 3.967 8.794 -5.091 154 H ASP 23 H ASP 23 2.987 11.254 -4.492 155 HA ASP 23 HA ASP 23 5.303 12.919 -4.475 156 HB2 ASP 23 1HB ASP 23 3.150 13.560 -5.481 157 HB3 ASP 23 2HB ASP 23 2.378 13.519 -3.889 158 H ARG 24 H ARG 24 3.100 11.878 -1.941 159 HA ARG 24 HA ARG 24 4.187 13.706 0.060 160 HB2 ARG 24 1HB ARG 24 2.219 11.400 0.129 161 HB3 ARG 24 2HB ARG 24 2.608 12.395 1.538 162 HG2 ARG 24 1HG ARG 24 1.581 14.306 0.640 163 HG3 ARG 24 2HG ARG 24 1.642 13.688 -1.021 164 HD2 ARG 24 1HD ARG 24 -0.636 13.610 -0.146 165 HD3 ARG 24 2HD ARG 24 -0.015 11.984 -0.492 166 HE ARG 24 HE ARG 24 0.540 12.569 2.219 167 HH11 ARG 24 1HH1 ARG 24 -2.262 11.896 0.176 168 HH12 ARG 24 2HH1 ARG 24 -3.185 11.232 1.495 169 HH21 ARG 24 1HH2 ARG 24 -0.684 11.720 3.848 170 HH22 ARG 24 2HH2 ARG 24 -2.304 11.139 3.547 171 H GLY 25 H GLY 25 5.325 10.868 -1.268 172 HA2 GLY 25 1HA GLY 25 7.116 9.565 -0.619 173 HA3 GLY 25 2HA GLY 25 7.188 10.428 0.926 174 H PHE 26 H PHE 26 7.469 7.566 0.508 175 HA PHE 26 HA PHE 26 5.533 6.722 2.525 176 HB2 PHE 26 1HB PHE 26 4.764 4.752 1.244 177 HB3 PHE 26 2HB PHE 26 4.218 6.266 0.520 178 HD1 PHE 26 1HD PHE 26 4.870 6.911 -1.695 179 HD2 PHE 26 2HD PHE 26 6.636 3.449 0.147 180 HE1 PHE 26 1HE PHE 26 5.835 6.247 -3.878 181 HE2 PHE 26 2HE PHE 26 7.605 2.778 -2.038 182 HZ PHE 26 HZ PHE 26 7.189 4.174 -4.051 183 H TYR 27 H TYR 27 6.064 4.506 3.299 184 HA TYR 27 HA TYR 27 8.933 3.828 2.757 185 HB2 TYR 27 1HB TYR 27 7.460 3.785 5.417 186 HB3 TYR 27 2HB TYR 27 9.118 3.232 5.148 187 HD1 TYR 27 1HD TYR 27 10.745 5.063 4.052 188 HD2 TYR 27 2HD TYR 27 7.117 5.981 6.185 189 HE1 TYR 27 1HE TYR 27 11.579 7.371 4.485 190 HE2 TYR 27 2HE TYR 27 7.977 8.284 6.629 191 HH TYR 27 HH TYR 27 11.129 9.413 5.401 192 H PHE 28 H PHE 28 9.444 1.563 3.180 193 HA PHE 28 HA PHE 28 7.145 -0.160 2.483 194 HB2 PHE 28 1HB PHE 28 9.989 -0.134 1.939 195 HB3 PHE 28 2HB PHE 28 9.535 -1.681 2.658 196 HD1 PHE 28 1HD PHE 28 9.170 -3.344 1.076 197 HD2 PHE 28 2HD PHE 28 7.926 0.672 0.147 198 HE1 PHE 28 1HE PHE 28 8.326 -4.115 -1.134 199 HE2 PHE 28 2HE PHE 28 7.085 -0.099 -2.060 200 HZ PHE 28 HZ PHE 28 7.261 -2.499 -2.694 201 H SER 29 H SER 29 8.226 1.056 5.219 202 HA SER 29 HA SER 29 7.582 -1.335 6.873 203 HB2 SER 29 1HB SER 29 9.408 -0.608 8.427 204 HB3 SER 29 2HB SER 29 10.040 -1.118 6.848 205 HG SER 29 HG SER 29 10.058 1.393 8.023 206 H ARG 30 H ARG 30 6.876 -0.515 9.104 207 HA ARG 30 HA ARG 30 5.437 1.966 8.788 208 HB2 ARG 30 1HB ARG 30 5.598 0.273 11.257 209 HB3 ARG 30 2HB ARG 30 4.546 1.665 11.021 210 HG2 ARG 30 1HG ARG 30 3.967 0.124 8.843 211 HG3 ARG 30 2HG ARG 30 4.320 -1.103 10.071 212 HD2 ARG 30 1HD ARG 30 1.942 -0.593 10.110 213 HD3 ARG 30 2HD ARG 30 2.692 0.049 11.587 214 HE ARG 30 HE ARG 30 2.453 1.920 9.313 215 HH11 ARG 30 1HH1 ARG 30 1.010 0.835 12.354 216 HH12 ARG 30 2HH1 ARG 30 0.116 2.315 12.554 217 HH21 ARG 30 1HH2 ARG 30 1.289 3.766 9.630 218 HH22 ARG 30 2HH2 ARG 30 0.282 3.947 11.049 219 HA PRO 31 HA PRO 31 8.431 3.818 11.821 220 HB2 PRO 31 1HB PRO 31 10.718 2.494 12.514 221 HB3 PRO 31 2HB PRO 31 9.173 2.284 13.395 222 HG2 PRO 31 1HG PRO 31 10.383 0.533 11.244 223 HG3 PRO 31 2HG PRO 31 9.642 0.044 12.797 224 HD2 PRO 31 1HD PRO 31 8.313 -0.013 10.415 225 HD3 PRO 31 2HD PRO 31 7.504 0.287 11.976 226 H ALA 32 H ALA 32 9.707 5.324 10.955 227 HA ALA 32 HA ALA 32 11.278 4.659 8.515 228 HB1 ALA 32 1HB ALA 32 10.552 7.359 9.735 229 HB2 ALA 32 2HB ALA 32 11.323 7.080 8.158 230 HB3 ALA 32 3HB ALA 32 9.648 6.543 8.433 231 H SER 33 H SER 33 11.497 5.940 11.778 232 HA SER 33 HA SER 33 13.209 6.452 13.185 233 HB2 SER 33 1HB SER 33 13.870 4.046 12.474 234 HB3 SER 33 2HB SER 33 15.114 4.834 11.482 235 HG SER 33 HG SER 33 14.773 4.885 14.298 236 H ARG 34 H ARG 34 15.938 6.968 12.760 237 HA ARG 34 HA ARG 34 16.130 8.884 10.537 238 HB2 ARG 34 1HB ARG 34 14.917 9.927 12.634 239 HB3 ARG 34 2HB ARG 34 16.547 10.029 13.301 240 HG2 ARG 34 1HG ARG 34 17.246 11.388 11.346 241 HG3 ARG 34 2HG ARG 34 15.616 11.232 10.662 242 HD2 ARG 34 1HD ARG 34 14.716 12.316 12.745 243 HD3 ARG 34 2HD ARG 34 16.385 12.618 13.258 244 HE ARG 34 HE ARG 34 14.877 13.980 11.136 245 HH11 ARG 34 1HH1 ARG 34 18.098 13.456 12.499 246 HH12 ARG 34 2HH1 ARG 34 18.737 14.904 11.771 247 HH21 ARG 34 1HH2 ARG 34 15.775 15.796 10.231 248 HH22 ARG 34 2HH2 ARG 34 17.446 16.201 10.512 249 H VAL 35 H VAL 35 17.546 6.528 11.063 250 HA VAL 35 HA VAL 35 20.276 7.578 11.459 251 HB VAL 35 HB VAL 35 20.810 5.411 12.774 252 HG11 VAL 35 1HG1 VAL 35 20.848 7.665 13.799 253 HG12 VAL 35 2HG1 VAL 35 19.120 7.517 14.189 254 HG13 VAL 35 3HG1 VAL 35 20.305 6.426 14.950 255 HG21 VAL 35 1HG2 VAL 35 18.560 4.318 12.373 256 HG22 VAL 35 2HG2 VAL 35 19.037 4.378 14.082 257 HG23 VAL 35 3HG2 VAL 35 17.835 5.522 13.460 258 H SER 36 H SER 36 21.718 6.520 10.153 259 HA SER 36 HA SER 36 20.488 5.125 7.918 260 HB2 SER 36 1HB SER 36 22.160 6.897 7.663 261 HB3 SER 36 2HB SER 36 23.372 5.878 8.467 262 HG SER 36 HG SER 36 23.211 4.408 6.781 263 H ARG 37 H ARG 37 19.844 3.267 9.335 264 HA ARG 37 HA ARG 37 21.988 1.314 9.935 265 HB2 ARG 37 1HB ARG 37 18.945 1.168 10.054 266 HB3 ARG 37 2HB ARG 37 20.018 -0.173 10.482 267 HG2 ARG 37 1HG ARG 37 21.074 1.236 12.227 268 HG3 ARG 37 2HG ARG 37 19.929 2.536 11.849 269 HD2 ARG 37 1HD ARG 37 18.046 1.085 12.471 270 HD3 ARG 37 2HD ARG 37 19.172 -0.254 12.790 271 HE ARG 37 HE ARG 37 19.968 1.994 14.338 272 HH11 ARG 37 1HH1 ARG 37 17.342 -0.370 14.262 273 HH12 ARG 37 2HH1 ARG 37 17.071 -0.256 15.980 274 HH21 ARG 37 1HH2 ARG 37 19.558 2.083 16.523 275 HH22 ARG 37 2HH2 ARG 37 18.292 1.113 17.228 276 H ARG 38 H ARG 38 21.456 -0.990 9.015 277 HA ARG 38 HA ARG 38 21.738 -0.818 6.131 278 HB2 ARG 38 1HB ARG 38 22.151 -3.235 6.256 279 HB3 ARG 38 2HB ARG 38 23.156 -2.322 7.377 280 HG2 ARG 38 1HG ARG 38 21.760 -3.024 9.280 281 HG3 ARG 38 2HG ARG 38 20.660 -3.879 8.180 282 HD2 ARG 38 1HD ARG 38 22.598 -5.271 7.410 283 HD3 ARG 38 2HD ARG 38 23.594 -4.502 8.662 284 HE ARG 38 HE ARG 38 21.237 -5.557 9.866 285 HH11 ARG 38 1HH1 ARG 38 24.206 -6.752 8.371 286 HH12 ARG 38 2HH1 ARG 38 24.186 -8.229 9.297 287 HH21 ARG 38 1HH2 ARG 38 21.277 -7.473 11.003 288 HH22 ARG 38 2HH2 ARG 38 22.560 -8.624 10.756 289 H SER 39 H SER 39 19.404 0.168 6.579 290 HA SER 39 HA SER 39 17.308 0.237 5.728 291 HB2 SER 39 1HB SER 39 16.557 -1.184 4.060 292 HB3 SER 39 2HB SER 39 18.321 -1.306 3.922 293 HG SER 39 HG SER 39 18.129 -3.219 5.270 294 HA PRO 40 HA PRO 40 14.937 -1.395 8.980 295 HB2 PRO 40 1HB PRO 40 12.402 -0.802 8.238 296 HB3 PRO 40 2HB PRO 40 13.608 0.494 8.531 297 HG2 PRO 40 1HG PRO 40 12.781 -0.765 5.926 298 HG3 PRO 40 2HG PRO 40 12.862 0.971 6.361 299 HD2 PRO 40 1HD PRO 40 14.844 -0.292 5.027 300 HD3 PRO 40 2HD PRO 40 15.168 1.025 6.206 301 H GLN 41 H GLN 41 13.066 -2.879 9.527 302 HA GLN 41 HA GLN 41 13.242 -5.354 8.027 303 HB2 GLN 41 1HB GLN 41 12.938 -4.995 10.566 304 HB3 GLN 41 2HB GLN 41 11.246 -4.643 10.209 305 HG2 GLN 41 1HG GLN 41 10.921 -6.906 9.337 306 HG3 GLN 41 2HG GLN 41 12.653 -7.245 9.479 307 HE21 GLN 41 1HE2 GLN 41 10.313 -8.182 12.495 308 HE22 GLN 41 2HE2 GLN 41 9.806 -7.961 10.838 309 H ARG 42 H ARG 42 11.074 -6.435 7.452 310 HA ARG 42 HA ARG 42 9.748 -5.020 5.366 311 HB2 ARG 42 1HB ARG 42 8.846 -7.404 7.014 312 HB3 ARG 42 2HB ARG 42 8.129 -6.920 5.484 313 HG2 ARG 42 1HG ARG 42 10.072 -7.599 4.256 314 HG3 ARG 42 2HG ARG 42 11.016 -7.827 5.758 315 HD2 ARG 42 1HD ARG 42 9.439 -9.508 6.530 316 HD3 ARG 42 2HD ARG 42 8.437 -9.268 5.099 317 HE ARG 42 HE ARG 42 10.939 -10.079 4.166 318 HH11 ARG 42 1HH1 ARG 42 8.395 -11.399 6.250 319 HH12 ARG 42 2HH1 ARG 42 8.717 -13.043 5.748 320 HH21 ARG 42 1HH2 ARG 42 11.307 -12.220 3.602 321 HH22 ARG 42 2HH2 ARG 42 10.343 -13.495 4.294 322 H GLY 43 H GLY 43 7.355 -4.738 5.261 323 HA2 GLY 43 1HA GLY 43 5.828 -4.507 7.684 324 HA3 GLY 43 2HA GLY 43 6.300 -2.915 7.068 325 H ILE 44 H ILE 44 5.888 -2.627 4.600 326 HA ILE 44 HA ILE 44 3.054 -2.991 4.220 327 HB ILE 44 HB ILE 44 4.384 -1.074 3.231 328 HG12 ILE 44 1HG1 ILE 44 3.452 -1.372 0.809 329 HG13 ILE 44 2HG1 ILE 44 2.710 -2.834 1.423 330 HG21 ILE 44 1HG2 ILE 44 6.356 -2.448 2.468 331 HG22 ILE 44 2HG2 ILE 44 5.348 -3.112 1.172 332 HG23 ILE 44 3HG2 ILE 44 5.703 -1.376 1.221 333 HD11 ILE 44 1HD1 ILE 44 1.216 -0.919 1.351 334 HD12 ILE 44 2HD1 ILE 44 1.398 -1.541 3.010 335 HD13 ILE 44 3HD1 ILE 44 2.243 -0.046 2.503 336 H VAL 45 H VAL 45 5.909 -4.781 3.122 337 HA VAL 45 HA VAL 45 4.586 -6.359 1.159 338 HB VAL 45 HB VAL 45 6.978 -7.197 2.880 339 HG11 VAL 45 1HG1 VAL 45 6.166 -7.968 0.037 340 HG12 VAL 45 2HG1 VAL 45 7.615 -8.534 0.903 341 HG13 VAL 45 3HG1 VAL 45 6.002 -9.002 1.470 342 HG21 VAL 45 1HG2 VAL 45 8.363 -6.228 1.007 343 HG22 VAL 45 2HG2 VAL 45 6.881 -5.481 0.366 344 HG23 VAL 45 3HG2 VAL 45 7.501 -5.014 1.968 345 H GLU 46 H GLU 46 5.046 -6.767 4.672 346 HA GLU 46 HA GLU 46 3.950 -9.431 4.654 347 HB2 GLU 46 1HB GLU 46 4.671 -7.464 6.810 348 HB3 GLU 46 2HB GLU 46 3.918 -9.044 7.170 349 HG2 GLU 46 1HG GLU 46 5.705 -10.186 5.920 350 HG3 GLU 46 2HG GLU 46 6.445 -8.630 5.541 351 H GLU 47 H GLU 47 2.571 -6.201 5.120 352 HA GLU 47 HA GLU 47 0.006 -7.376 5.888 353 HB2 GLU 47 1HB GLU 47 1.246 -4.807 5.967 354 HB3 GLU 47 2HB GLU 47 -0.280 -4.654 5.087 355 HG2 GLU 47 1HG GLU 47 -0.601 -4.275 7.493 356 HG3 GLU 47 2HG GLU 47 -1.487 -5.708 6.943 357 H CYS 48 H CYS 48 1.413 -6.162 2.841 358 HA CYS 48 HA CYS 48 -1.276 -6.501 1.592 359 HB2 CYS 48 1HB CYS 48 1.135 -4.866 0.775 360 HB3 CYS 48 2HB CYS 48 -0.283 -5.107 -0.248 361 H CYS 49 H CYS 49 1.846 -8.049 1.535 362 HA CYS 49 HA CYS 49 1.088 -9.290 -1.094 363 HB2 CYS 49 1HB CYS 49 3.238 -8.124 -1.169 364 HB3 CYS 49 2HB CYS 49 3.813 -9.054 0.214 365 H PHE 50 H PHE 50 2.591 -10.033 2.100 366 HA PHE 50 HA PHE 50 2.083 -12.898 1.755 367 HB2 PHE 50 1HB PHE 50 2.951 -11.212 4.127 368 HB3 PHE 50 2HB PHE 50 2.694 -12.953 4.219 369 HD1 PHE 50 1HD PHE 50 5.030 -10.340 3.262 370 HD2 PHE 50 2HD PHE 50 4.071 -14.499 2.756 371 HE1 PHE 50 1HE PHE 50 7.359 -10.771 2.508 372 HE2 PHE 50 2HE PHE 50 6.393 -14.939 1.964 373 HZ PHE 50 HZ PHE 50 8.044 -13.075 1.846 374 H ARG 51 H ARG 51 0.234 -10.185 2.633 375 HA ARG 51 HA ARG 51 -2.015 -11.933 3.477 376 HB2 ARG 51 1HB ARG 51 -1.142 -9.366 4.852 377 HB3 ARG 51 2HB ARG 51 -2.692 -10.160 5.112 378 HG2 ARG 51 1HG ARG 51 -1.521 -12.134 5.990 379 HG3 ARG 51 2HG ARG 51 0.024 -11.268 5.791 380 HD2 ARG 51 1HD ARG 51 -0.408 -10.582 7.909 381 HD3 ARG 51 2HD ARG 51 -1.384 -9.372 7.042 382 HE ARG 51 HE ARG 51 -2.946 -11.709 7.548 383 HH11 ARG 51 1HH1 ARG 51 -1.635 -8.891 9.236 384 HH12 ARG 51 2HH1 ARG 51 -2.872 -8.944 10.466 385 HH21 ARG 51 1HH2 ARG 51 -4.496 -11.701 9.143 386 HH22 ARG 51 2HH2 ARG 51 -4.466 -10.502 10.408 387 H SER 52 H SER 52 -4.003 -10.369 3.504 388 HA SER 52 HA SER 52 -3.923 -8.823 0.950 389 HB2 SER 52 1HB SER 52 -6.414 -8.911 1.175 390 HB3 SER 52 2HB SER 52 -5.674 -10.526 1.115 391 HG SER 52 HG SER 52 -6.346 -9.153 3.515 392 H CYS 53 H CYS 53 -4.594 -6.636 0.924 393 HA CYS 53 HA CYS 53 -5.258 -5.381 3.524 394 HB2 CYS 53 1HB CYS 53 -3.594 -3.700 3.352 395 HB3 CYS 53 2HB CYS 53 -2.756 -5.236 3.159 396 H ASP 54 H ASP 54 -5.640 -2.894 2.966 397 HA ASP 54 HA ASP 54 -6.938 -2.665 0.302 398 HB2 ASP 54 1HB ASP 54 -8.487 -3.134 2.460 399 HB3 ASP 54 2HB ASP 54 -8.289 -1.382 2.641 400 H LEU 55 H LEU 55 -7.307 -0.319 -0.202 401 HA LEU 55 HA LEU 55 -4.846 1.045 -0.011 402 HB2 LEU 55 1HB LEU 55 -5.965 2.913 -1.034 403 HB3 LEU 55 2HB LEU 55 -6.487 1.404 -1.768 404 HG LEU 55 HG LEU 55 -8.441 1.872 0.167 405 HD11 LEU 55 1HD1 LEU 55 -7.541 4.158 0.525 406 HD12 LEU 55 2HD1 LEU 55 -9.165 4.190 -0.192 407 HD13 LEU 55 3HD1 LEU 55 -7.739 4.500 -1.209 408 HD21 LEU 55 1HD2 LEU 55 -8.414 2.613 -2.783 409 HD22 LEU 55 2HD2 LEU 55 -9.866 2.408 -1.776 410 HD23 LEU 55 3HD2 LEU 55 -8.810 1.017 -2.093 411 H ALA 56 H ALA 56 -7.635 1.265 2.158 412 HA ALA 56 HA ALA 56 -6.847 3.693 3.445 413 HB1 ALA 56 1HB ALA 56 -8.350 2.943 5.274 414 HB2 ALA 56 2HB ALA 56 -9.110 2.734 3.678 415 HB3 ALA 56 3HB ALA 56 -8.442 1.325 4.535 416 H LEU 57 H LEU 57 -6.162 0.252 4.219 417 HA LEU 57 HA LEU 57 -4.562 0.848 6.547 418 HB2 LEU 57 1HB LEU 57 -5.634 -1.349 6.124 419 HB3 LEU 57 2HB LEU 57 -4.599 -1.590 4.713 420 HG LEU 57 HG LEU 57 -3.181 -0.993 7.247 421 HD11 LEU 57 1HD1 LEU 57 -4.987 -2.414 8.081 422 HD12 LEU 57 2HD1 LEU 57 -3.442 -3.287 8.105 423 HD13 LEU 57 3HD1 LEU 57 -4.635 -3.627 6.826 424 HD21 LEU 57 1HD2 LEU 57 -1.607 -2.611 6.441 425 HD22 LEU 57 2HD2 LEU 57 -2.066 -1.628 5.047 426 HD23 LEU 57 3HD2 LEU 57 -2.758 -3.251 5.253 427 H LEU 58 H LEU 58 -3.945 0.254 3.116 428 HA LEU 58 HA LEU 58 -1.140 0.092 3.180 429 HB2 LEU 58 1HB LEU 58 -2.887 -0.342 1.353 430 HB3 LEU 58 2HB LEU 58 -2.847 1.379 1.041 431 HG LEU 58 HG LEU 58 -0.647 -0.627 0.571 432 HD11 LEU 58 1HD1 LEU 58 -2.529 -0.581 -0.953 433 HD12 LEU 58 2HD1 LEU 58 -1.032 0.011 -1.707 434 HD13 LEU 58 3HD1 LEU 58 -2.281 1.174 -1.190 435 HD21 LEU 58 1HD2 LEU 58 -0.624 2.382 0.360 436 HD22 LEU 58 2HD2 LEU 58 0.444 1.354 -0.614 437 HD23 LEU 58 3HD2 LEU 58 0.553 1.325 1.150 438 H GLU 59 H GLU 59 -3.294 2.944 2.860 439 HA GLU 59 HA GLU 59 -1.268 4.834 2.362 440 HB2 GLU 59 1HB GLU 59 -3.745 5.157 2.125 441 HB3 GLU 59 2HB GLU 59 -3.857 5.329 3.883 442 HG2 GLU 59 1HG GLU 59 -2.479 7.314 3.830 443 HG3 GLU 59 2HG GLU 59 -2.117 7.059 2.131 444 H THR 60 H THR 60 -2.021 3.253 5.349 445 HA THR 60 HA THR 60 -0.911 5.210 7.117 446 HB THR 60 HB THR 60 -1.057 3.675 8.877 447 HG1 THR 60 1HG THR 60 -1.454 1.601 6.971 448 HG21 THR 60 1HG2 THR 60 -3.186 4.516 7.742 449 HG22 THR 60 2HG2 THR 60 -3.358 3.043 8.735 450 HG23 THR 60 3HG2 THR 60 -3.290 2.928 6.965 451 H TYR 61 H TYR 61 0.645 3.154 4.900 452 HA TYR 61 HA TYR 61 3.241 3.276 6.334 453 HB2 TYR 61 1HB TYR 61 2.359 2.160 3.658 454 HB3 TYR 61 2HB TYR 61 4.034 2.154 4.216 455 HD1 TYR 61 1HD TYR 61 0.606 0.853 5.032 456 HD2 TYR 61 2HD TYR 61 4.833 0.549 5.767 457 HE1 TYR 61 1HE TYR 61 0.234 -1.256 6.299 458 HE2 TYR 61 2HE TYR 61 4.449 -1.560 7.029 459 HH TYR 61 HH TYR 61 2.950 -3.138 7.675 460 H CYS 62 H CYS 62 1.441 5.489 4.673 461 HA CYS 62 HA CYS 62 3.358 6.708 2.895 462 HB2 CYS 62 1HB CYS 62 0.893 7.123 2.978 463 HB3 CYS 62 2HB CYS 62 1.121 8.008 4.481 464 H ALA 63 H ALA 63 4.600 8.649 3.266 465 HA ALA 63 HA ALA 63 5.967 8.581 5.817 466 HB1 ALA 63 1HB ALA 63 7.292 10.416 4.838 467 HB2 ALA 63 2HB ALA 63 7.115 9.050 3.708 468 HB3 ALA 63 3HB ALA 63 6.135 10.515 3.491 469 H THR 64 H THR 64 3.519 10.714 4.334 470 HA THR 64 HA THR 64 3.657 12.654 6.475 471 HB THR 64 HB THR 64 1.348 13.329 5.653 472 HG1 THR 64 1HG THR 64 1.392 10.975 4.591 473 HG21 THR 64 1HG2 THR 64 2.189 14.294 3.578 474 HG22 THR 64 2HG2 THR 64 3.557 13.155 3.580 475 HG23 THR 64 3HG2 THR 64 3.416 14.381 4.867 476 HA PRO 65 HA PRO 65 1.587 10.345 9.457 477 HB2 PRO 65 1HB PRO 65 0.580 12.207 11.137 478 HB3 PRO 65 2HB PRO 65 2.343 12.063 10.849 479 HG2 PRO 65 1HG PRO 65 0.365 13.913 9.576 480 HG3 PRO 65 2HG PRO 65 1.913 14.282 10.377 481 HD2 PRO 65 1HD PRO 65 1.691 14.026 7.679 482 HD3 PRO 65 2HD PRO 65 3.182 13.527 8.541 483 H ALA 66 H ALA 66 -0.453 10.126 10.761 484 HA ALA 66 HA ALA 66 -2.652 9.779 8.891 485 HB1 ALA 66 1HB ALA 66 -2.468 9.169 11.876 486 HB2 ALA 66 2HB ALA 66 -3.715 8.575 10.754 487 HB3 ALA 66 3HB ALA 66 -2.026 8.052 10.558 488 H LYS 67 H LYS 67 -2.371 12.431 8.953 489 HA LYS 67 HA LYS 67 -3.458 14.428 9.278 490 HB2 LYS 67 1HB LYS 67 -5.308 12.711 8.514 491 HB3 LYS 67 2HB LYS 67 -5.937 12.957 10.145 492 HG2 LYS 67 1HG LYS 67 -5.993 15.441 9.654 493 HG3 LYS 67 2HG LYS 67 -5.559 15.055 7.978 494 HD2 LYS 67 1HD LYS 67 -7.577 13.642 7.788 495 HD3 LYS 67 2HD LYS 67 -7.999 14.021 9.471 496 HE2 LYS 67 1HE LYS 67 -8.121 16.433 8.879 497 HE3 LYS 67 2HE LYS 67 -7.768 16.020 7.186 498 HZ1 LYS 67 1HZ LYS 67 -10.126 15.088 8.727 499 HZ2 LYS 67 2HZ LYS 67 -9.803 14.701 7.155 500 HZ3 LYS 67 3HZ LYS 67 -10.144 16.262 7.568 501 H SER 68 H SER 68 -2.120 13.214 11.662 502 HA SER 68 HA SER 68 -3.116 15.081 13.642 503 HB2 SER 68 1HB SER 68 -4.563 13.109 14.098 504 HB3 SER 68 2HB SER 68 -3.122 12.071 14.165 505 HG SER 68 HG SER 68 -3.880 12.799 16.243 506 H GLU 69 H GLU 69 -1.494 15.584 14.913 507 HA GLU 69 HA GLU 69 0.634 16.024 15.625 508 HB2 GLU 69 1HB GLU 69 1.019 13.002 15.393 509 HB3 GLU 69 2HB GLU 69 2.111 14.108 16.222 510 HG2 GLU 69 1HG GLU 69 0.240 14.784 17.767 511 HG3 GLU 69 2HG GLU 69 -0.831 13.634 16.961 Start of MODEL 14 1 HA ALA 1 HA ALA 1 -13.938 -10.892 -12.363 2 HB1 ALA 1 1HB ALA 1 -16.130 -10.579 -11.211 3 HB2 ALA 1 2HB ALA 1 -15.358 -10.884 -9.642 4 HB3 ALA 1 3HB ALA 1 -14.924 -9.446 -10.578 5 H TYR 2 H TYR 2 -12.216 -9.686 -11.978 6 HA TYR 2 HA TYR 2 -10.124 -10.789 -10.315 7 HB2 TYR 2 1HB TYR 2 -10.342 -8.091 -11.696 8 HB3 TYR 2 2HB TYR 2 -8.872 -8.750 -10.970 9 HD1 TYR 2 1HD TYR 2 -8.168 -11.182 -11.872 10 HD2 TYR 2 2HD TYR 2 -10.719 -8.440 -14.001 11 HE1 TYR 2 1HE TYR 2 -7.657 -12.357 -14.013 12 HE2 TYR 2 2HE TYR 2 -10.203 -9.628 -16.132 13 HH TYR 2 HH TYR 2 -9.062 -11.347 -17.128 14 H ARG 3 H ARG 3 -9.279 -9.984 -8.372 15 HA ARG 3 HA ARG 3 -11.155 -8.945 -6.583 16 HB2 ARG 3 1HB ARG 3 -9.591 -9.146 -4.940 17 HB3 ARG 3 2HB ARG 3 -9.021 -10.308 -6.112 18 HG2 ARG 3 1HG ARG 3 -7.942 -7.517 -5.765 19 HG3 ARG 3 2HG ARG 3 -7.246 -8.957 -5.045 20 HD2 ARG 3 1HD ARG 3 -6.871 -9.873 -7.377 21 HD3 ARG 3 2HD ARG 3 -7.375 -8.291 -8.001 22 HE ARG 3 HE ARG 3 -5.210 -8.171 -6.032 23 HH11 ARG 3 1HH1 ARG 3 -5.925 -8.430 -9.478 24 HH12 ARG 3 2HH1 ARG 3 -4.337 -7.877 -9.932 25 HH21 ARG 3 1HH2 ARG 3 -3.202 -7.484 -6.680 26 HH22 ARG 3 2HH2 ARG 3 -2.832 -7.336 -8.379 27 HA PRO 4 HA PRO 4 -10.838 -4.544 -7.168 28 HB2 PRO 4 1HB PRO 4 -11.305 -4.375 -4.201 29 HB3 PRO 4 2HB PRO 4 -12.248 -3.641 -5.532 30 HG2 PRO 4 1HG PRO 4 -13.216 -5.710 -4.158 31 HG3 PRO 4 2HG PRO 4 -13.415 -5.627 -5.938 32 HD2 PRO 4 1HD PRO 4 -11.365 -7.199 -4.352 33 HD3 PRO 4 2HD PRO 4 -12.401 -7.724 -5.704 34 H SER 5 H SER 5 -9.445 -6.024 -4.236 35 HA SER 5 HA SER 5 -6.758 -5.108 -4.647 36 HB2 SER 5 1HB SER 5 -8.518 -3.505 -2.754 37 HB3 SER 5 2HB SER 5 -6.778 -3.689 -2.461 38 HG SER 5 HG SER 5 -7.750 -2.810 -4.969 39 H GLU 6 H GLU 6 -5.772 -6.875 -3.762 40 HA GLU 6 HA GLU 6 -6.337 -7.517 -0.959 41 HB2 GLU 6 1HB GLU 6 -6.312 -9.531 -3.238 42 HB3 GLU 6 2HB GLU 6 -6.047 -9.945 -1.559 43 HG2 GLU 6 1HG GLU 6 -8.266 -8.941 -1.019 44 HG3 GLU 6 2HG GLU 6 -8.528 -8.758 -2.762 45 H THR 7 H THR 7 -4.443 -9.129 -3.540 46 HA THR 7 HA THR 7 -2.018 -8.629 -1.955 47 HB THR 7 HB THR 7 -1.034 -10.246 -3.681 48 HG1 THR 7 1HG THR 7 -2.585 -11.400 -4.867 49 HG21 THR 7 1HG2 THR 7 -3.404 -11.232 -2.035 50 HG22 THR 7 2HG2 THR 7 -1.764 -10.945 -1.404 51 HG23 THR 7 3HG2 THR 7 -2.039 -12.209 -2.619 52 H LEU 8 H LEU 8 -0.269 -7.596 -2.657 53 HA LEU 8 HA LEU 8 -0.159 -6.422 -5.401 54 HB2 LEU 8 1HB LEU 8 0.132 -5.004 -2.738 55 HB3 LEU 8 2HB LEU 8 0.859 -4.407 -4.220 56 HG LEU 8 HG LEU 8 -2.109 -4.793 -3.904 57 HD11 LEU 8 1HD1 LEU 8 -2.232 -2.399 -3.448 58 HD12 LEU 8 2HD1 LEU 8 -0.458 -2.295 -3.465 59 HD13 LEU 8 3HD1 LEU 8 -1.289 -3.234 -2.199 60 HD21 LEU 8 1HD2 LEU 8 -0.439 -3.141 -5.815 61 HD22 LEU 8 2HD2 LEU 8 -2.211 -3.242 -5.796 62 HD23 LEU 8 3HD2 LEU 8 -1.250 -4.680 -6.208 63 H CYS 9 H CYS 9 1.873 -6.776 -6.176 64 HA CYS 9 HA CYS 9 4.085 -7.164 -4.217 65 HB2 CYS 9 1HB CYS 9 3.257 -9.084 -6.406 66 HB3 CYS 9 2HB CYS 9 4.779 -9.190 -5.517 67 H GLY 10 H GLY 10 6.217 -7.120 -5.248 68 HA2 GLY 10 1HA GLY 10 7.758 -6.289 -6.743 69 HA3 GLY 10 2HA GLY 10 6.575 -6.635 -8.013 70 H GLY 11 H GLY 11 6.951 -4.828 -9.237 71 HA2 GLY 11 1HA GLY 11 7.101 -2.188 -8.170 72 HA3 GLY 11 2HA GLY 11 6.788 -2.621 -9.857 73 H GLU 12 H GLU 12 4.315 -4.224 -8.912 74 HA GLU 12 HA GLU 12 2.445 -2.087 -9.296 75 HB2 GLU 12 1HB GLU 12 2.046 -4.493 -9.874 76 HB3 GLU 12 2HB GLU 12 1.920 -4.853 -8.144 77 HG2 GLU 12 1HG GLU 12 -0.001 -3.361 -7.953 78 HG3 GLU 12 2HG GLU 12 0.152 -2.912 -9.655 79 H LEU 13 H LEU 13 3.771 -3.666 -6.392 80 HA LEU 13 HA LEU 13 1.860 -2.476 -4.577 81 HB2 LEU 13 1HB LEU 13 3.253 -4.381 -3.913 82 HB3 LEU 13 2HB LEU 13 4.722 -3.445 -4.164 83 HG LEU 13 HG LEU 13 4.268 -2.037 -2.283 84 HD11 LEU 13 1HD1 LEU 13 1.659 -3.534 -1.894 85 HD12 LEU 13 2HD1 LEU 13 1.815 -1.849 -2.437 86 HD13 LEU 13 3HD1 LEU 13 2.345 -2.301 -0.816 87 HD21 LEU 13 1HD2 LEU 13 3.772 -4.958 -1.635 88 HD22 LEU 13 2HD2 LEU 13 4.236 -3.709 -0.458 89 HD23 LEU 13 3HD2 LEU 13 5.349 -4.134 -1.774 90 H VAL 14 H VAL 14 5.065 -1.501 -5.866 91 HA VAL 14 HA VAL 14 5.345 0.846 -4.267 92 HB VAL 14 HB VAL 14 6.497 0.238 -7.037 93 HG11 VAL 14 1HG1 VAL 14 8.282 1.855 -6.362 94 HG12 VAL 14 2HG1 VAL 14 6.693 2.616 -6.535 95 HG13 VAL 14 3HG1 VAL 14 7.329 2.255 -4.913 96 HG21 VAL 14 1HG2 VAL 14 8.525 -0.484 -5.779 97 HG22 VAL 14 2HG2 VAL 14 7.639 -0.267 -4.251 98 HG23 VAL 14 3HG2 VAL 14 7.124 -1.508 -5.421 99 H ASP 15 H ASP 15 3.944 0.236 -7.488 100 HA ASP 15 HA ASP 15 3.316 2.905 -8.199 101 HB2 ASP 15 1HB ASP 15 3.059 1.308 -9.890 102 HB3 ASP 15 2HB ASP 15 2.212 0.176 -8.831 103 H THR 16 H THR 16 1.390 0.481 -6.364 104 HA THR 16 HA THR 16 -0.832 2.204 -5.937 105 HB THR 16 HB THR 16 0.182 0.043 -4.028 106 HG1 THR 16 1HG THR 16 -0.548 -0.172 -6.559 107 HG21 THR 16 1HG2 THR 16 -2.516 1.333 -4.544 108 HG22 THR 16 2HG2 THR 16 -1.537 1.387 -3.055 109 HG23 THR 16 3HG2 THR 16 -2.266 -0.143 -3.588 110 H LEU 17 H LEU 17 2.174 1.736 -4.051 111 HA LEU 17 HA LEU 17 1.323 3.346 -1.822 112 HB2 LEU 17 1HB LEU 17 3.995 2.479 -2.919 113 HB3 LEU 17 2HB LEU 17 3.882 3.577 -1.546 114 HG LEU 17 HG LEU 17 2.272 1.066 -1.422 115 HD11 LEU 17 1HD1 LEU 17 4.120 -0.197 -0.603 116 HD12 LEU 17 2HD1 LEU 17 5.231 1.157 -0.923 117 HD13 LEU 17 3HD1 LEU 17 4.404 0.326 -2.264 118 HD21 LEU 17 1HD2 LEU 17 3.940 2.587 0.620 119 HD22 LEU 17 2HD2 LEU 17 2.821 1.246 0.947 120 HD23 LEU 17 3HD2 LEU 17 2.191 2.794 0.357 121 H GLN 18 H GLN 18 2.999 4.091 -4.893 122 HA GLN 18 HA GLN 18 3.481 6.866 -4.250 123 HB2 GLN 18 1HB GLN 18 3.222 5.361 -6.877 124 HB3 GLN 18 2HB GLN 18 3.676 7.068 -6.774 125 HG2 GLN 18 1HG GLN 18 5.701 6.567 -5.619 126 HG3 GLN 18 2HG GLN 18 5.212 4.900 -5.319 127 HE21 GLN 18 1HE2 GLN 18 7.443 5.626 -8.452 128 HE22 GLN 18 2HE2 GLN 18 7.262 6.678 -7.069 129 H PHE 19 H PHE 19 0.746 5.090 -5.729 130 HA PHE 19 HA PHE 19 -0.735 7.462 -6.396 131 HB2 PHE 19 1HB PHE 19 -1.169 5.237 -7.365 132 HB3 PHE 19 2HB PHE 19 -1.693 4.642 -5.786 133 HD1 PHE 19 1HD PHE 19 -3.886 5.126 -4.914 134 HD2 PHE 19 2HD PHE 19 -2.549 6.914 -8.591 135 HE1 PHE 19 1HE PHE 19 -6.213 5.889 -5.381 136 HE2 PHE 19 2HE PHE 19 -4.869 7.690 -9.065 137 HZ PHE 19 HZ PHE 19 -6.708 7.181 -7.457 138 H VAL 20 H VAL 20 -0.980 5.249 -3.535 139 HA VAL 20 HA VAL 20 -3.121 6.837 -2.442 140 HB VAL 20 HB VAL 20 -2.848 4.336 -2.121 141 HG11 VAL 20 1HG1 VAL 20 -0.378 4.542 -1.486 142 HG12 VAL 20 2HG1 VAL 20 -0.949 5.007 0.128 143 HG13 VAL 20 3HG1 VAL 20 -1.386 3.429 -0.559 144 HG21 VAL 20 1HG2 VAL 20 -3.138 5.964 0.419 145 HG22 VAL 20 2HG2 VAL 20 -4.416 5.661 -0.780 146 HG23 VAL 20 3HG2 VAL 20 -3.731 4.307 0.147 147 H CYS 21 H CYS 21 0.391 6.864 -1.920 148 HA CYS 21 HA CYS 21 0.016 8.727 0.379 149 HB2 CYS 21 1HB CYS 21 2.570 7.503 -0.702 150 HB3 CYS 21 2HB CYS 21 2.368 8.358 0.828 151 H GLY 22 H GLY 22 0.821 8.780 -3.001 152 HA2 GLY 22 1HA GLY 22 1.334 10.580 -4.328 153 HA3 GLY 22 2HA GLY 22 1.413 11.621 -2.889 154 H ASP 23 H ASP 23 3.266 12.085 -4.587 155 HA ASP 23 HA ASP 23 5.714 10.587 -4.366 156 HB2 ASP 23 1HB ASP 23 5.190 13.507 -5.027 157 HB3 ASP 23 2HB ASP 23 6.742 12.688 -5.258 158 H ARG 24 H ARG 24 4.158 11.813 -1.845 159 HA ARG 24 HA ARG 24 6.280 13.448 -0.666 160 HB2 ARG 24 1HB ARG 24 3.798 12.360 0.679 161 HB3 ARG 24 2HB ARG 24 4.792 13.721 1.192 162 HG2 ARG 24 1HG ARG 24 2.780 13.575 -1.072 163 HG3 ARG 24 2HG ARG 24 2.845 14.704 0.283 164 HD2 ARG 24 1HD ARG 24 4.555 14.669 -2.227 165 HD3 ARG 24 2HD ARG 24 3.460 15.942 -1.681 166 HE ARG 24 HE ARG 24 5.134 16.157 0.279 167 HH11 ARG 24 1HH1 ARG 24 6.152 15.201 -2.973 168 HH12 ARG 24 2HH1 ARG 24 7.759 15.825 -2.751 169 HH21 ARG 24 1HH2 ARG 24 7.212 16.935 0.475 170 HH22 ARG 24 2HH2 ARG 24 8.342 16.788 -0.841 171 H GLY 25 H GLY 25 5.645 10.158 -0.989 172 HA2 GLY 25 1HA GLY 25 7.402 8.661 -0.395 173 HA3 GLY 25 2HA GLY 25 7.784 9.656 1.008 174 H PHE 26 H PHE 26 7.633 6.947 1.104 175 HA PHE 26 HA PHE 26 5.579 6.496 3.136 176 HB2 PHE 26 1HB PHE 26 4.852 4.372 1.912 177 HB3 PHE 26 2HB PHE 26 4.233 5.888 1.260 178 HD1 PHE 26 1HD PHE 26 6.729 3.182 0.672 179 HD2 PHE 26 2HD PHE 26 4.749 6.643 -0.944 180 HE1 PHE 26 1HE PHE 26 7.650 2.663 -1.574 181 HE2 PHE 26 2HE PHE 26 5.655 6.127 -3.180 182 HZ PHE 26 HZ PHE 26 7.092 4.130 -3.502 183 H TYR 27 H TYR 27 6.008 4.289 4.087 184 HA TYR 27 HA TYR 27 8.917 3.633 3.767 185 HB2 TYR 27 1HB TYR 27 7.123 3.363 6.203 186 HB3 TYR 27 2HB TYR 27 8.843 2.952 6.126 187 HD1 TYR 27 1HD TYR 27 10.393 5.007 5.232 188 HD2 TYR 27 2HD TYR 27 6.541 5.446 7.111 189 HE1 TYR 27 1HE TYR 27 10.956 7.350 5.851 190 HE2 TYR 27 2HE TYR 27 7.129 7.786 7.744 191 HH TYR 27 HH TYR 27 10.238 9.277 6.819 192 H PHE 28 H PHE 28 9.481 1.456 3.620 193 HA PHE 28 HA PHE 28 7.260 -0.316 2.847 194 HB2 PHE 28 1HB PHE 28 10.083 -0.074 2.243 195 HB3 PHE 28 2HB PHE 28 9.727 -1.718 2.778 196 HD1 PHE 28 1HD PHE 28 9.337 -3.213 1.039 197 HD2 PHE 28 2HD PHE 28 7.987 0.848 0.572 198 HE1 PHE 28 1HE PHE 28 8.471 -3.760 -1.229 199 HE2 PHE 28 2HE PHE 28 7.128 0.301 -1.694 200 HZ PHE 28 HZ PHE 28 7.344 -2.008 -2.590 201 H SER 29 H SER 29 8.381 0.621 5.683 202 HA SER 29 HA SER 29 7.722 -1.905 7.061 203 HB2 SER 29 1HB SER 29 10.274 -1.723 6.787 204 HB3 SER 29 2HB SER 29 10.180 -0.264 7.793 205 HG SER 29 HG SER 29 9.458 -2.938 8.477 206 H ARG 30 H ARG 30 7.867 -1.082 9.607 207 HA ARG 30 HA ARG 30 6.130 1.240 9.661 208 HB2 ARG 30 1HB ARG 30 7.032 -0.514 11.927 209 HB3 ARG 30 2HB ARG 30 5.868 0.803 12.074 210 HG2 ARG 30 1HG ARG 30 5.553 -1.644 10.336 211 HG3 ARG 30 2HG ARG 30 4.812 -1.393 11.932 212 HD2 ARG 30 1HD ARG 30 3.805 0.754 11.007 213 HD3 ARG 30 2HD ARG 30 4.339 0.232 9.403 214 HE ARG 30 HE ARG 30 2.759 -1.819 10.592 215 HH11 ARG 30 1HH1 ARG 30 2.442 1.397 9.176 216 HH12 ARG 30 2HH1 ARG 30 0.789 1.119 8.685 217 HH21 ARG 30 1HH2 ARG 30 0.614 -2.081 9.940 218 HH22 ARG 30 2HH2 ARG 30 -0.212 -0.782 9.112 219 HA PRO 31 HA PRO 31 9.543 3.247 12.267 220 HB2 PRO 31 1HB PRO 31 12.101 2.261 11.794 221 HB3 PRO 31 2HB PRO 31 11.064 1.728 13.159 222 HG2 PRO 31 1HG PRO 31 11.393 0.425 10.438 223 HG3 PRO 31 2HG PRO 31 11.481 -0.328 12.063 224 HD2 PRO 31 1HD PRO 31 9.295 -0.469 10.626 225 HD3 PRO 31 2HD PRO 31 9.204 -0.153 12.381 226 H ALA 32 H ALA 32 10.438 5.082 11.435 227 HA ALA 32 HA ALA 32 10.191 5.619 8.667 228 HB1 ALA 32 1HB ALA 32 11.797 7.111 10.781 229 HB2 ALA 32 2HB ALA 32 11.242 7.767 9.222 230 HB3 ALA 32 3HB ALA 32 10.051 7.320 10.465 231 H SER 33 H SER 33 12.773 4.207 10.435 232 HA SER 33 HA SER 33 14.902 3.672 9.991 233 HB2 SER 33 1HB SER 33 13.770 3.293 7.218 234 HB3 SER 33 2HB SER 33 15.112 2.416 7.979 235 HG SER 33 HG SER 33 12.353 2.344 8.631 236 H ARG 34 H ARG 34 14.849 6.396 10.000 237 HA ARG 34 HA ARG 34 16.081 7.494 7.600 238 HB2 ARG 34 1HB ARG 34 14.566 8.672 9.303 239 HB3 ARG 34 2HB ARG 34 15.988 8.764 10.344 240 HG2 ARG 34 1HG ARG 34 17.172 10.021 8.512 241 HG3 ARG 34 2HG ARG 34 15.667 9.987 7.570 242 HD2 ARG 34 1HD ARG 34 14.508 11.171 9.378 243 HD3 ARG 34 2HD ARG 34 16.002 11.178 10.337 244 HE ARG 34 HE ARG 34 16.509 12.370 7.798 245 HH11 ARG 34 1HH1 ARG 34 14.842 13.115 10.821 246 HH12 ARG 34 2HH1 ARG 34 15.041 14.832 10.614 247 HH21 ARG 34 1HH2 ARG 34 16.725 14.577 7.606 248 HH22 ARG 34 2HH2 ARG 34 16.086 15.642 8.828 249 H VAL 35 H VAL 35 17.618 5.376 8.143 250 HA VAL 35 HA VAL 35 20.195 6.570 8.982 251 HB VAL 35 HB VAL 35 20.720 4.315 10.162 252 HG11 VAL 35 1HG1 VAL 35 18.728 6.182 11.524 253 HG12 VAL 35 2HG1 VAL 35 19.875 5.089 12.335 254 HG13 VAL 35 3HG1 VAL 35 20.479 6.459 11.379 255 HG21 VAL 35 1HG2 VAL 35 18.854 3.077 11.162 256 HG22 VAL 35 2HG2 VAL 35 17.671 4.187 10.443 257 HG23 VAL 35 3HG2 VAL 35 18.630 3.113 9.402 258 H SER 36 H SER 36 21.801 5.838 7.626 259 HA SER 36 HA SER 36 20.864 4.383 5.283 260 HB2 SER 36 1HB SER 36 22.413 6.280 5.113 261 HB3 SER 36 2HB SER 36 23.637 5.371 6.022 262 HG SER 36 HG SER 36 23.830 5.268 3.678 263 H ARG 37 H ARG 37 20.453 2.283 5.634 264 HA ARG 37 HA ARG 37 22.713 0.573 6.628 265 HB2 ARG 37 1HB ARG 37 19.721 0.207 7.111 266 HB3 ARG 37 2HB ARG 37 20.972 -0.937 7.587 267 HG2 ARG 37 1HG ARG 37 20.812 1.903 8.688 268 HG3 ARG 37 2HG ARG 37 19.993 0.523 9.424 269 HD2 ARG 37 1HD ARG 37 21.938 0.630 10.673 270 HD3 ARG 37 2HD ARG 37 22.356 -0.592 9.458 271 HE ARG 37 HE ARG 37 23.139 1.895 8.398 272 HH11 ARG 37 1HH1 ARG 37 24.050 -0.046 11.219 273 HH12 ARG 37 2HH1 ARG 37 25.672 0.593 11.234 274 HH21 ARG 37 1HH2 ARG 37 25.186 2.643 8.481 275 HH22 ARG 37 2HH2 ARG 37 26.305 2.102 9.710 276 H ARG 38 H ARG 38 23.105 -1.174 5.275 277 HA ARG 38 HA ARG 38 21.677 -1.152 2.711 278 HB2 ARG 38 1HB ARG 38 23.355 -2.713 1.957 279 HB3 ARG 38 2HB ARG 38 24.120 -1.347 2.764 280 HG2 ARG 38 1HG ARG 38 24.554 -2.692 4.762 281 HG3 ARG 38 2HG ARG 38 23.674 -4.068 4.067 282 HD2 ARG 38 1HD ARG 38 26.166 -2.814 2.850 283 HD3 ARG 38 2HD ARG 38 26.151 -4.279 3.854 284 HE ARG 38 HE ARG 38 24.302 -4.701 1.777 285 HH11 ARG 38 1HH1 ARG 38 27.798 -4.241 2.041 286 HH12 ARG 38 2HH1 ARG 38 28.119 -5.175 0.606 287 HH21 ARG 38 1HH2 ARG 38 24.796 -5.871 -0.046 288 HH22 ARG 38 2HH2 ARG 38 26.450 -6.075 -0.553 289 H SER 39 H SER 39 20.289 -2.128 5.202 290 HA SER 39 HA SER 39 19.207 -4.592 3.998 291 HB2 SER 39 1HB SER 39 20.984 -5.356 5.575 292 HB3 SER 39 2HB SER 39 20.159 -4.489 6.885 293 HG SER 39 HG SER 39 19.192 -6.680 5.354 294 HA PRO 40 HA PRO 40 16.058 -1.818 5.747 295 HB2 PRO 40 1HB PRO 40 14.054 -2.239 3.969 296 HB3 PRO 40 2HB PRO 40 15.478 -1.231 3.548 297 HG2 PRO 40 1HG PRO 40 14.960 -4.133 2.928 298 HG3 PRO 40 2HG PRO 40 15.460 -2.816 1.818 299 HD2 PRO 40 1HD PRO 40 17.243 -4.557 2.923 300 HD3 PRO 40 2HD PRO 40 17.662 -2.839 2.598 301 H GLN 41 H GLN 41 14.059 -2.212 6.887 302 HA GLN 41 HA GLN 41 13.679 -5.036 7.635 303 HB2 GLN 41 1HB GLN 41 12.523 -2.429 8.688 304 HB3 GLN 41 2HB GLN 41 12.072 -4.031 9.295 305 HG2 GLN 41 1HG GLN 41 14.437 -4.462 9.897 306 HG3 GLN 41 2HG GLN 41 14.867 -2.834 9.350 307 HE21 GLN 41 1HE2 GLN 41 13.471 -3.416 13.057 308 HE22 GLN 41 2HE2 GLN 41 13.869 -4.720 11.968 309 H ARG 42 H ARG 42 11.488 -5.899 7.723 310 HA ARG 42 HA ARG 42 10.103 -5.382 5.167 311 HB2 ARG 42 1HB ARG 42 9.660 -7.495 7.310 312 HB3 ARG 42 2HB ARG 42 8.907 -7.464 5.717 313 HG2 ARG 42 1HG ARG 42 11.087 -7.785 4.646 314 HG3 ARG 42 2HG ARG 42 11.867 -7.809 6.247 315 HD2 ARG 42 1HD ARG 42 10.398 -9.726 6.887 316 HD3 ARG 42 2HD ARG 42 9.749 -9.755 5.242 317 HE ARG 42 HE ARG 42 12.406 -10.633 6.148 318 HH11 ARG 42 1HH1 ARG 42 10.347 -10.002 3.352 319 HH12 ARG 42 2HH1 ARG 42 11.340 -10.961 2.289 320 HH21 ARG 42 1HH2 ARG 42 13.618 -11.839 4.736 321 HH22 ARG 42 2HH2 ARG 42 13.157 -11.982 3.062 322 H GLY 43 H GLY 43 7.609 -5.678 5.300 323 HA2 GLY 43 1HA GLY 43 6.068 -5.233 7.526 324 HA3 GLY 43 2HA GLY 43 6.543 -3.604 7.026 325 H ILE 44 H ILE 44 6.060 -3.012 4.690 326 HA ILE 44 HA ILE 44 3.280 -3.503 4.203 327 HB ILE 44 HB ILE 44 4.513 -1.431 3.445 328 HG12 ILE 44 1HG1 ILE 44 3.631 -1.551 0.968 329 HG13 ILE 44 2HG1 ILE 44 2.912 -3.066 1.472 330 HG21 ILE 44 1HG2 ILE 44 5.863 -1.440 1.435 331 HG22 ILE 44 2HG2 ILE 44 6.561 -2.608 2.568 332 HG23 ILE 44 3HG2 ILE 44 5.602 -3.175 1.190 333 HD11 ILE 44 1HD1 ILE 44 1.573 -1.923 3.132 334 HD12 ILE 44 2HD1 ILE 44 2.406 -0.382 2.765 335 HD13 ILE 44 3HD1 ILE 44 1.398 -1.162 1.533 336 H VAL 45 H VAL 45 6.217 -5.036 2.933 337 HA VAL 45 HA VAL 45 4.953 -6.503 0.835 338 HB VAL 45 HB VAL 45 7.435 -7.275 2.461 339 HG11 VAL 45 1HG1 VAL 45 6.561 -8.057 -0.359 340 HG12 VAL 45 2HG1 VAL 45 8.113 -8.485 0.397 341 HG13 VAL 45 3HG1 VAL 45 6.600 -9.130 1.060 342 HG21 VAL 45 1HG2 VAL 45 7.148 -5.521 -0.016 343 HG22 VAL 45 2HG2 VAL 45 7.742 -5.026 1.586 344 HG23 VAL 45 3HG2 VAL 45 8.696 -6.147 0.600 345 H GLU 46 H GLU 46 5.423 -7.140 4.295 346 HA GLU 46 HA GLU 46 4.648 -9.901 4.122 347 HB2 GLU 46 1HB GLU 46 4.763 -7.983 6.461 348 HB3 GLU 46 2HB GLU 46 4.538 -9.736 6.597 349 HG2 GLU 46 1HG GLU 46 6.711 -10.135 5.570 350 HG3 GLU 46 2HG GLU 46 6.929 -8.403 5.286 351 H GLU 47 H GLU 47 2.894 -6.861 4.697 352 HA GLU 47 HA GLU 47 0.464 -8.399 5.286 353 HB2 GLU 47 1HB GLU 47 1.358 -5.733 5.772 354 HB3 GLU 47 2HB GLU 47 -0.128 -5.650 4.813 355 HG2 GLU 47 1HG GLU 47 0.260 -7.086 7.460 356 HG3 GLU 47 2HG GLU 47 -0.713 -5.637 7.168 357 H CYS 48 H CYS 48 1.776 -6.602 2.488 358 HA CYS 48 HA CYS 48 -0.846 -7.002 1.145 359 HB2 CYS 48 1HB CYS 48 1.529 -5.260 0.456 360 HB3 CYS 48 2HB CYS 48 0.096 -5.440 -0.559 361 H CYS 49 H CYS 49 2.403 -8.347 0.967 362 HA CYS 49 HA CYS 49 1.644 -9.459 -1.713 363 HB2 CYS 49 1HB CYS 49 3.736 -8.105 -1.619 364 HB3 CYS 49 2HB CYS 49 4.407 -9.280 -0.484 365 H PHE 50 H PHE 50 3.095 -10.324 1.460 366 HA PHE 50 HA PHE 50 2.876 -13.186 0.815 367 HB2 PHE 50 1HB PHE 50 3.490 -11.795 3.444 368 HB3 PHE 50 2HB PHE 50 3.668 -13.512 3.115 369 HD1 PHE 50 1HD PHE 50 4.829 -12.833 0.125 370 HD2 PHE 50 2HD PHE 50 5.845 -11.691 4.158 371 HE1 PHE 50 1HE PHE 50 7.165 -12.403 -0.586 372 HE2 PHE 50 2HE PHE 50 8.186 -11.267 3.448 373 HZ PHE 50 HZ PHE 50 8.853 -11.621 1.069 374 H ARG 51 H ARG 51 0.882 -10.739 2.045 375 HA ARG 51 HA ARG 51 -1.257 -12.698 2.719 376 HB2 ARG 51 1HB ARG 51 -0.453 -10.254 4.347 377 HB3 ARG 51 2HB ARG 51 -1.980 -11.106 4.545 378 HG2 ARG 51 1HG ARG 51 -0.821 -13.110 5.247 379 HG3 ARG 51 2HG ARG 51 0.752 -12.308 5.008 380 HD2 ARG 51 1HD ARG 51 0.106 -10.570 6.627 381 HD3 ARG 51 2HD ARG 51 -1.452 -11.381 6.873 382 HE ARG 51 HE ARG 51 0.680 -13.214 7.375 383 HH11 ARG 51 1HH1 ARG 51 -0.886 -10.409 8.824 384 HH12 ARG 51 2HH1 ARG 51 -0.447 -10.880 10.447 385 HH21 ARG 51 1HH2 ARG 51 1.208 -13.761 9.472 386 HH22 ARG 51 2HH2 ARG 51 0.715 -12.751 10.803 387 H SER 52 H SER 52 -3.342 -11.145 2.965 388 HA SER 52 HA SER 52 -3.310 -9.343 0.597 389 HB2 SER 52 1HB SER 52 -5.815 -9.464 0.906 390 HB3 SER 52 2HB SER 52 -5.043 -11.017 0.520 391 HG SER 52 HG SER 52 -6.582 -11.073 2.292 392 H CYS 53 H CYS 53 -4.071 -7.224 0.754 393 HA CYS 53 HA CYS 53 -4.706 -6.162 3.451 394 HB2 CYS 53 1HB CYS 53 -3.120 -4.393 3.306 395 HB3 CYS 53 2HB CYS 53 -2.224 -5.878 2.992 396 H ASP 54 H ASP 54 -5.302 -3.683 3.030 397 HA ASP 54 HA ASP 54 -6.707 -3.428 0.402 398 HB2 ASP 54 1HB ASP 54 -7.876 -2.672 3.113 399 HB3 ASP 54 2HB ASP 54 -8.656 -2.472 1.538 400 H LEU 55 H LEU 55 -7.102 -1.058 -0.040 401 HA LEU 55 HA LEU 55 -4.771 0.448 0.293 402 HB2 LEU 55 1HB LEU 55 -5.986 2.316 -0.571 403 HB3 LEU 55 2HB LEU 55 -6.433 0.852 -1.429 404 HG LEU 55 HG LEU 55 -8.438 1.016 0.460 405 HD11 LEU 55 1HD1 LEU 55 -7.639 3.263 1.189 406 HD12 LEU 55 2HD1 LEU 55 -9.245 3.338 0.437 407 HD13 LEU 55 3HD1 LEU 55 -7.810 3.852 -0.478 408 HD21 LEU 55 1HD2 LEU 55 -8.369 2.233 -2.331 409 HD22 LEU 55 2HD2 LEU 55 -9.832 1.780 -1.424 410 HD23 LEU 55 3HD2 LEU 55 -8.685 0.525 -1.941 411 H ALA 56 H ALA 56 -7.585 0.362 2.480 412 HA ALA 56 HA ALA 56 -6.906 2.696 3.956 413 HB1 ALA 56 1HB ALA 56 -8.344 0.161 4.865 414 HB2 ALA 56 2HB ALA 56 -8.349 1.725 5.715 415 HB3 ALA 56 3HB ALA 56 -9.099 1.589 4.109 416 H LEU 57 H LEU 57 -6.009 -0.754 4.518 417 HA LEU 57 HA LEU 57 -4.439 -0.205 6.868 418 HB2 LEU 57 1HB LEU 57 -5.343 -2.442 6.277 419 HB3 LEU 57 2HB LEU 57 -4.292 -2.496 4.859 420 HG LEU 57 HG LEU 57 -2.927 -1.970 7.436 421 HD11 LEU 57 1HD1 LEU 57 -3.014 -4.326 8.136 422 HD12 LEU 57 2HD1 LEU 57 -4.163 -4.674 6.820 423 HD13 LEU 57 3HD1 LEU 57 -4.624 -3.577 8.145 424 HD21 LEU 57 1HD2 LEU 57 -1.241 -3.457 6.540 425 HD22 LEU 57 2HD2 LEU 57 -1.721 -2.338 5.254 426 HD23 LEU 57 3HD2 LEU 57 -2.333 -4.007 5.253 427 H LEU 58 H LEU 58 -3.820 -0.482 3.410 428 HA LEU 58 HA LEU 58 -1.005 -0.461 3.451 429 HB2 LEU 58 1HB LEU 58 -2.730 -0.931 1.619 430 HB3 LEU 58 2HB LEU 58 -2.837 0.802 1.404 431 HG LEU 58 HG LEU 58 -0.482 -0.976 0.798 432 HD11 LEU 58 1HD1 LEU 58 -0.957 -0.249 -1.435 433 HD12 LEU 58 2HD1 LEU 58 -2.292 0.766 -0.836 434 HD13 LEU 58 3HD1 LEU 58 -2.387 -1.011 -0.704 435 HD21 LEU 58 1HD2 LEU 58 0.551 1.028 1.467 436 HD22 LEU 58 2HD2 LEU 58 -0.738 2.026 0.787 437 HD23 LEU 58 3HD2 LEU 58 0.385 1.176 -0.289 438 H GLU 59 H GLU 59 -3.369 2.222 3.315 439 HA GLU 59 HA GLU 59 -1.616 4.334 2.861 440 HB2 GLU 59 1HB GLU 59 -4.098 4.365 2.763 441 HB3 GLU 59 2HB GLU 59 -4.159 4.335 4.527 442 HG2 GLU 59 1HG GLU 59 -3.080 6.514 4.626 443 HG3 GLU 59 2HG GLU 59 -2.886 6.509 2.880 444 H THR 60 H THR 60 -2.141 2.568 5.821 445 HA THR 60 HA THR 60 -1.142 4.470 7.672 446 HB THR 60 HB THR 60 -1.013 2.790 9.292 447 HG1 THR 60 1HG THR 60 -1.357 0.825 7.193 448 HG21 THR 60 1HG2 THR 60 -3.272 3.513 8.362 449 HG22 THR 60 2HG2 THR 60 -3.241 1.933 9.201 450 HG23 THR 60 3HG2 THR 60 -3.256 2.001 7.431 451 H TYR 61 H TYR 61 0.566 2.774 5.234 452 HA TYR 61 HA TYR 61 3.176 3.004 6.654 453 HB2 TYR 61 1HB TYR 61 2.304 1.890 3.967 454 HB3 TYR 61 2HB TYR 61 3.997 2.080 4.417 455 HD1 TYR 61 1HD TYR 61 0.879 0.203 5.148 456 HD2 TYR 61 2HD TYR 61 5.051 0.672 6.078 457 HE1 TYR 61 1HE TYR 61 0.870 -2.003 6.305 458 HE2 TYR 61 2HE TYR 61 5.035 -1.529 7.245 459 HH TYR 61 HH TYR 61 2.155 -3.616 7.343 460 H CYS 62 H CYS 62 1.190 5.110 4.891 461 HA CYS 62 HA CYS 62 3.143 6.424 3.225 462 HB2 CYS 62 1HB CYS 62 0.683 7.571 4.595 463 HB3 CYS 62 2HB CYS 62 1.603 8.364 3.315 464 H ALA 63 H ALA 63 4.437 8.275 3.590 465 HA ALA 63 HA ALA 63 5.380 8.493 6.351 466 HB1 ALA 63 1HB ALA 63 6.202 10.006 3.830 467 HB2 ALA 63 2HB ALA 63 7.065 10.014 5.387 468 HB3 ALA 63 3HB ALA 63 6.953 8.510 4.447 469 H THR 64 H THR 64 3.157 10.197 4.302 470 HA THR 64 HA THR 64 2.812 12.274 6.412 471 HB THR 64 HB THR 64 2.178 13.825 4.451 472 HG1 THR 64 1HG THR 64 2.160 12.097 2.888 473 HG21 THR 64 1HG2 THR 64 4.253 14.040 5.772 474 HG22 THR 64 2HG2 THR 64 4.464 14.517 4.068 475 HG23 THR 64 3HG2 THR 64 5.071 12.943 4.628 476 HA PRO 65 HA PRO 65 -1.369 11.093 5.831 477 HB2 PRO 65 1HB PRO 65 -2.797 13.199 6.730 478 HB3 PRO 65 2HB PRO 65 -1.712 12.288 7.825 479 HG2 PRO 65 1HG PRO 65 -1.229 14.851 6.366 480 HG3 PRO 65 2HG PRO 65 -0.975 14.451 8.083 481 HD2 PRO 65 1HD PRO 65 1.023 14.389 6.180 482 HD3 PRO 65 2HD PRO 65 1.054 13.344 7.636 483 H ALA 66 H ALA 66 -3.512 11.910 4.904 484 HA ALA 66 HA ALA 66 -3.072 12.630 2.144 485 HB1 ALA 66 1HB ALA 66 -5.548 12.513 1.993 486 HB2 ALA 66 2HB ALA 66 -4.882 11.094 2.835 487 HB3 ALA 66 3HB ALA 66 -5.649 12.403 3.768 488 H LYS 67 H LYS 67 -2.756 14.644 1.397 489 HA LYS 67 HA LYS 67 -3.464 16.952 3.076 490 HB2 LYS 67 1HB LYS 67 -1.334 16.755 1.737 491 HB3 LYS 67 2HB LYS 67 -2.301 16.956 0.275 492 HG2 LYS 67 1HG LYS 67 -3.161 19.119 1.658 493 HG3 LYS 67 2HG LYS 67 -1.550 18.954 2.380 494 HD2 LYS 67 1HD LYS 67 -0.551 18.991 0.106 495 HD3 LYS 67 2HD LYS 67 -2.181 19.140 -0.589 496 HE2 LYS 67 1HE LYS 67 -2.461 21.237 0.838 497 HE3 LYS 67 2HE LYS 67 -0.718 21.145 1.163 498 HZ1 LYS 67 1HZ LYS 67 -0.361 21.256 -1.248 499 HZ2 LYS 67 2HZ LYS 67 -1.197 22.578 -0.719 500 HZ3 LYS 67 3HZ LYS 67 -1.986 21.367 -1.510 501 H SER 68 H SER 68 -5.757 16.309 2.978 502 HA SER 68 HA SER 68 -7.203 16.848 0.475 503 HB2 SER 68 1HB SER 68 -7.963 15.145 2.131 504 HB3 SER 68 2HB SER 68 -8.252 16.445 3.308 505 HG SER 68 HG SER 68 -9.801 17.301 1.928 506 H GLU 69 H GLU 69 -5.799 19.020 0.724 507 HA GLU 69 HA GLU 69 -7.719 21.145 1.349 508 HB2 GLU 69 1HB GLU 69 -6.616 20.741 3.573 509 HB3 GLU 69 2HB GLU 69 -5.042 21.025 2.840 510 HG2 GLU 69 1HG GLU 69 -5.642 23.089 3.910 511 HG3 GLU 69 2HG GLU 69 -5.868 23.383 2.193 Start of MODEL 15 1 HA ALA 1 HA ALA 1 -18.210 -7.795 -5.555 2 HB1 ALA 1 1HB ALA 1 -17.055 -7.856 -7.757 3 HB2 ALA 1 2HB ALA 1 -18.626 -7.051 -7.912 4 HB3 ALA 1 3HB ALA 1 -17.136 -6.090 -7.867 5 H TYR 2 H TYR 2 -16.214 -8.838 -5.460 6 HA TYR 2 HA TYR 2 -14.266 -7.433 -3.781 7 HB2 TYR 2 1HB TYR 2 -13.070 -9.721 -4.037 8 HB3 TYR 2 2HB TYR 2 -14.589 -9.663 -3.134 9 HD1 TYR 2 1HD TYR 2 -16.512 -10.913 -3.824 10 HD2 TYR 2 2HD TYR 2 -13.115 -10.591 -6.454 11 HE1 TYR 2 1HE TYR 2 -17.504 -12.642 -5.325 12 HE2 TYR 2 2HE TYR 2 -14.122 -12.324 -7.948 13 HH TYR 2 HH TYR 2 -17.265 -13.866 -7.231 14 H ARG 3 H ARG 3 -11.993 -7.250 -4.337 15 HA ARG 3 HA ARG 3 -11.641 -6.339 -7.057 16 HB2 ARG 3 1HB ARG 3 -9.647 -6.753 -4.812 17 HB3 ARG 3 2HB ARG 3 -9.318 -5.886 -6.311 18 HG2 ARG 3 1HG ARG 3 -11.080 -4.224 -5.677 19 HG3 ARG 3 2HG ARG 3 -11.269 -5.067 -4.122 20 HD2 ARG 3 1HD ARG 3 -8.874 -4.675 -3.635 21 HD3 ARG 3 2HD ARG 3 -8.703 -3.829 -5.175 22 HE ARG 3 HE ARG 3 -10.014 -2.025 -4.335 23 HH11 ARG 3 1HH1 ARG 3 -9.398 -4.447 -1.789 24 HH12 ARG 3 2HH1 ARG 3 -9.665 -3.250 -0.531 25 HH21 ARG 3 1HH2 ARG 3 -10.389 -0.649 -2.639 26 HH22 ARG 3 2HH2 ARG 3 -10.203 -1.205 -0.983 27 HA PRO 4 HA PRO 4 -10.335 -10.202 -8.793 28 HB2 PRO 4 1HB PRO 4 -8.258 -8.592 -10.268 29 HB3 PRO 4 2HB PRO 4 -9.481 -9.725 -10.917 30 HG2 PRO 4 1HG PRO 4 -9.795 -7.122 -11.194 31 HG3 PRO 4 2HG PRO 4 -11.182 -8.163 -10.746 32 HD2 PRO 4 1HD PRO 4 -9.505 -6.385 -8.969 33 HD3 PRO 4 2HD PRO 4 -11.285 -6.603 -9.036 34 H SER 5 H SER 5 -7.770 -8.012 -7.591 35 HA SER 5 HA SER 5 -6.319 -10.223 -6.405 36 HB2 SER 5 1HB SER 5 -5.050 -8.558 -8.630 37 HB3 SER 5 2HB SER 5 -4.184 -9.677 -7.559 38 HG SER 5 HG SER 5 -6.299 -10.927 -8.667 39 H GLU 6 H GLU 6 -5.967 -9.369 -4.494 40 HA GLU 6 HA GLU 6 -5.460 -6.439 -4.219 41 HB2 GLU 6 1HB GLU 6 -6.151 -8.519 -2.130 42 HB3 GLU 6 2HB GLU 6 -6.027 -6.771 -1.868 43 HG2 GLU 6 1HG GLU 6 -7.825 -6.535 -3.617 44 HG3 GLU 6 2HG GLU 6 -8.053 -8.287 -3.504 45 H THR 7 H THR 7 -3.842 -9.333 -4.463 46 HA THR 7 HA THR 7 -1.756 -8.787 -2.478 47 HB THR 7 HB THR 7 -0.657 -10.777 -3.683 48 HG1 THR 7 1HG THR 7 -1.881 -10.544 -5.617 49 HG21 THR 7 1HG2 THR 7 -1.943 -11.022 -1.577 50 HG22 THR 7 2HG2 THR 7 -2.179 -12.413 -2.660 51 HG23 THR 7 3HG2 THR 7 -3.448 -11.176 -2.520 52 H LEU 8 H LEU 8 -0.380 -7.237 -2.849 53 HA LEU 8 HA LEU 8 0.533 -6.689 -5.651 54 HB2 LEU 8 1HB LEU 8 0.497 -5.012 -3.138 55 HB3 LEU 8 2HB LEU 8 1.315 -4.555 -4.630 56 HG LEU 8 HG LEU 8 -1.650 -5.078 -4.507 57 HD11 LEU 8 1HD1 LEU 8 -0.153 -2.493 -4.053 58 HD12 LEU 8 2HD1 LEU 8 -1.188 -3.359 -2.889 59 HD13 LEU 8 3HD1 LEU 8 -1.905 -2.620 -4.337 60 HD21 LEU 8 1HD2 LEU 8 0.065 -3.467 -6.420 61 HD22 LEU 8 2HD2 LEU 8 -1.688 -3.735 -6.545 62 HD23 LEU 8 3HD2 LEU 8 -0.569 -5.101 -6.734 63 H CYS 9 H CYS 9 2.509 -7.276 -6.113 64 HA CYS 9 HA CYS 9 4.521 -7.416 -3.904 65 HB2 CYS 9 1HB CYS 9 3.998 -9.403 -6.122 66 HB3 CYS 9 2HB CYS 9 5.363 -9.485 -5.003 67 H GLY 10 H GLY 10 6.748 -7.252 -4.660 68 HA2 GLY 10 1HA GLY 10 8.414 -6.391 -6.010 69 HA3 GLY 10 2HA GLY 10 7.402 -6.838 -7.394 70 H GLY 11 H GLY 11 7.720 -5.057 -8.654 71 HA2 GLY 11 1HA GLY 11 7.699 -2.379 -7.677 72 HA3 GLY 11 2HA GLY 11 7.502 -2.882 -9.361 73 H GLU 12 H GLU 12 5.071 -4.556 -8.539 74 HA GLU 12 HA GLU 12 3.085 -2.640 -9.165 75 HB2 GLU 12 1HB GLU 12 3.171 -5.343 -9.053 76 HB3 GLU 12 2HB GLU 12 2.366 -5.035 -7.514 77 HG2 GLU 12 1HG GLU 12 0.605 -5.308 -8.992 78 HG3 GLU 12 2HG GLU 12 0.758 -3.550 -8.857 79 H LEU 13 H LEU 13 4.290 -3.879 -6.070 80 HA LEU 13 HA LEU 13 2.277 -2.566 -4.469 81 HB2 LEU 13 1HB LEU 13 3.604 -4.512 -3.722 82 HB3 LEU 13 2HB LEU 13 5.079 -3.556 -3.788 83 HG LEU 13 HG LEU 13 4.418 -2.225 -1.919 84 HD11 LEU 13 1HD1 LEU 13 2.274 -2.597 -0.718 85 HD12 LEU 13 2HD1 LEU 13 1.739 -3.649 -2.042 86 HD13 LEU 13 3HD1 LEU 13 2.038 -1.922 -2.333 87 HD21 LEU 13 1HD2 LEU 13 5.405 -4.346 -1.360 88 HD22 LEU 13 2HD2 LEU 13 3.834 -5.179 -1.521 89 HD23 LEU 13 3HD2 LEU 13 4.102 -4.025 -0.202 90 H VAL 14 H VAL 14 5.579 -1.765 -5.579 91 HA VAL 14 HA VAL 14 5.918 0.598 -4.026 92 HB VAL 14 HB VAL 14 7.102 -0.092 -6.763 93 HG11 VAL 14 1HG1 VAL 14 7.361 2.289 -6.291 94 HG12 VAL 14 2HG1 VAL 14 7.976 1.928 -4.662 95 HG13 VAL 14 3HG1 VAL 14 8.924 1.476 -6.100 96 HG21 VAL 14 1HG2 VAL 14 8.221 -0.553 -3.962 97 HG22 VAL 14 2HG2 VAL 14 7.614 -1.817 -5.056 98 HG23 VAL 14 3HG2 VAL 14 9.061 -0.893 -5.490 99 H ASP 15 H ASP 15 4.603 0.079 -7.340 100 HA ASP 15 HA ASP 15 4.173 2.845 -7.882 101 HB2 ASP 15 1HB ASP 15 2.832 0.327 -8.896 102 HB3 ASP 15 2HB ASP 15 2.401 1.945 -9.478 103 H THR 16 H THR 16 2.178 0.444 -6.174 104 HA THR 16 HA THR 16 -0.120 2.161 -5.967 105 HB THR 16 HB THR 16 0.693 -0.020 -3.988 106 HG1 THR 16 1HG THR 16 0.690 -0.841 -6.138 107 HG21 THR 16 1HG2 THR 16 -1.714 -0.221 -3.697 108 HG22 THR 16 2HG2 THR 16 -2.006 1.044 -4.912 109 HG23 THR 16 3HG2 THR 16 -1.214 1.452 -3.367 110 H LEU 17 H LEU 17 2.734 1.625 -3.884 111 HA LEU 17 HA LEU 17 1.851 3.283 -1.711 112 HB2 LEU 17 1HB LEU 17 4.544 2.378 -2.733 113 HB3 LEU 17 2HB LEU 17 4.409 3.495 -1.384 114 HG LEU 17 HG LEU 17 2.782 1.009 -1.196 115 HD11 LEU 17 1HD1 LEU 17 4.839 0.162 -2.093 116 HD12 LEU 17 2HD1 LEU 17 4.666 -0.278 -0.394 117 HD13 LEU 17 3HD1 LEU 17 5.774 1.036 -0.857 118 HD21 LEU 17 1HD2 LEU 17 4.579 2.453 0.800 119 HD22 LEU 17 2HD2 LEU 17 3.374 1.196 1.153 120 HD23 LEU 17 3HD2 LEU 17 2.846 2.787 0.573 121 H GLN 18 H GLN 18 3.633 3.974 -4.748 122 HA GLN 18 HA GLN 18 4.111 6.754 -4.151 123 HB2 GLN 18 1HB GLN 18 3.845 5.262 -6.792 124 HB3 GLN 18 2HB GLN 18 4.332 6.952 -6.655 125 HG2 GLN 18 1HG GLN 18 6.299 6.296 -5.334 126 HG3 GLN 18 2HG GLN 18 5.833 4.600 -5.473 127 HE21 GLN 18 1HE2 GLN 18 6.577 4.546 -9.057 128 HE22 GLN 18 2HE2 GLN 18 5.258 4.124 -8.006 129 H PHE 19 H PHE 19 1.441 5.000 -5.787 130 HA PHE 19 HA PHE 19 0.037 7.338 -6.613 131 HB2 PHE 19 1HB PHE 19 -0.344 5.084 -7.520 132 HB3 PHE 19 2HB PHE 19 -0.986 4.552 -5.963 133 HD1 PHE 19 1HD PHE 19 -1.620 6.763 -8.886 134 HD2 PHE 19 2HD PHE 19 -3.244 5.012 -5.307 135 HE1 PHE 19 1HE PHE 19 -3.903 7.478 -9.579 136 HE2 PHE 19 2HE PHE 19 -5.531 5.730 -5.984 137 HZ PHE 19 HZ PHE 19 -5.866 6.964 -8.127 138 H VAL 20 H VAL 20 -0.444 5.295 -3.670 139 HA VAL 20 HA VAL 20 -2.729 6.794 -2.831 140 HB VAL 20 HB VAL 20 -2.184 4.440 -2.135 141 HG11 VAL 20 1HG1 VAL 20 0.202 4.772 -1.602 142 HG12 VAL 20 2HG1 VAL 20 -0.256 5.717 -0.167 143 HG13 VAL 20 3HG1 VAL 20 -0.694 4.002 -0.292 144 HG21 VAL 20 1HG2 VAL 20 -2.679 6.334 0.192 145 HG22 VAL 20 2HG2 VAL 20 -3.907 5.746 -0.951 146 HG23 VAL 20 3HG2 VAL 20 -3.083 4.602 0.130 147 H CYS 21 H CYS 21 0.723 7.306 -2.294 148 HA CYS 21 HA CYS 21 0.169 9.360 -0.244 149 HB2 CYS 21 1HB CYS 21 2.728 8.309 -1.490 150 HB3 CYS 21 2HB CYS 21 2.666 9.560 -0.238 151 H GLY 22 H GLY 22 1.425 9.183 -3.601 152 HA2 GLY 22 1HA GLY 22 1.503 10.903 -5.161 153 HA3 GLY 22 2HA GLY 22 1.053 12.086 -3.894 154 H ASP 23 H ASP 23 2.898 13.249 -4.629 155 HA ASP 23 HA ASP 23 5.598 12.354 -4.459 156 HB2 ASP 23 1HB ASP 23 4.572 14.401 -5.640 157 HB3 ASP 23 2HB ASP 23 4.646 15.204 -4.064 158 H ARG 24 H ARG 24 3.552 12.485 -1.888 159 HA ARG 24 HA ARG 24 5.248 13.930 -0.008 160 HB2 ARG 24 1HB ARG 24 2.888 12.100 0.534 161 HB3 ARG 24 2HB ARG 24 3.604 13.275 1.644 162 HG2 ARG 24 1HG ARG 24 3.028 14.855 -0.543 163 HG3 ARG 24 2HG ARG 24 1.710 13.673 -0.592 164 HD2 ARG 24 1HD ARG 24 0.932 15.460 0.728 165 HD3 ARG 24 2HD ARG 24 1.361 14.170 1.874 166 HE ARG 24 HE ARG 24 3.623 15.855 1.461 167 HH11 ARG 24 1HH1 ARG 24 0.483 15.979 3.064 168 HH12 ARG 24 2HH1 ARG 24 1.011 17.182 4.210 169 HH21 ARG 24 1HH2 ARG 24 4.230 17.375 2.956 170 HH22 ARG 24 2HH2 ARG 24 3.101 17.955 4.150 171 H GLY 25 H GLY 25 5.358 10.789 -1.305 172 HA2 GLY 25 1HA GLY 25 7.027 9.231 -0.873 173 HA3 GLY 25 2HA GLY 25 7.512 10.150 0.552 174 H PHE 26 H PHE 26 7.648 7.503 0.747 175 HA PHE 26 HA PHE 26 5.581 6.817 2.724 176 HB2 PHE 26 1HB PHE 26 5.018 4.699 1.588 177 HB3 PHE 26 2HB PHE 26 4.545 6.094 0.617 178 HD1 PHE 26 1HD PHE 26 6.903 3.248 0.868 179 HD2 PHE 26 2HD PHE 26 5.634 6.613 -1.494 180 HE1 PHE 26 1HE PHE 26 8.212 2.386 -1.064 181 HE2 PHE 26 2HE PHE 26 6.947 5.760 -3.411 182 HZ PHE 26 HZ PHE 26 8.230 3.647 -3.206 183 H TYR 27 H TYR 27 6.077 4.595 3.649 184 HA TYR 27 HA TYR 27 9.024 4.026 3.540 185 HB2 TYR 27 1HB TYR 27 7.048 3.691 5.834 186 HB3 TYR 27 2HB TYR 27 8.720 3.121 5.835 187 HD1 TYR 27 1HD TYR 27 6.548 6.118 6.057 188 HD2 TYR 27 2HD TYR 27 10.597 4.652 6.120 189 HE1 TYR 27 1HE TYR 27 7.334 8.292 7.006 190 HE2 TYR 27 2HE TYR 27 11.366 6.831 7.065 191 HH TYR 27 HH TYR 27 9.116 9.512 7.741 192 H PHE 28 H PHE 28 9.535 1.728 3.694 193 HA PHE 28 HA PHE 28 7.361 0.024 2.600 194 HB2 PHE 28 1HB PHE 28 10.086 0.276 2.028 195 HB3 PHE 28 2HB PHE 28 9.979 -1.238 2.931 196 HD1 PHE 28 1HD PHE 28 9.589 -3.192 1.683 197 HD2 PHE 28 2HD PHE 28 8.123 0.556 0.163 198 HE1 PHE 28 1HE PHE 28 8.834 -4.330 -0.399 199 HE2 PHE 28 2HE PHE 28 7.355 -0.579 -1.909 200 HZ PHE 28 HZ PHE 28 7.707 -3.024 -2.196 201 H SER 29 H SER 29 8.468 0.919 5.576 202 HA SER 29 HA SER 29 7.288 -1.439 6.862 203 HB2 SER 29 1HB SER 29 9.250 -1.714 8.384 204 HB3 SER 29 2HB SER 29 9.645 -2.132 6.704 205 HG SER 29 HG SER 29 10.189 0.388 7.942 206 H ARG 30 H ARG 30 6.542 -0.808 9.004 207 HA ARG 30 HA ARG 30 5.987 1.933 9.293 208 HB2 ARG 30 1HB ARG 30 5.996 -0.158 11.461 209 HB3 ARG 30 2HB ARG 30 5.237 1.426 11.576 210 HG2 ARG 30 1HG ARG 30 4.470 -0.727 9.591 211 HG3 ARG 30 2HG ARG 30 3.682 -0.439 11.143 212 HD2 ARG 30 1HD ARG 30 3.500 2.066 10.182 213 HD3 ARG 30 2HD ARG 30 3.573 1.210 8.633 214 HE ARG 30 HE ARG 30 1.466 0.298 9.034 215 HH11 ARG 30 1HH1 ARG 30 2.555 1.952 11.964 216 HH12 ARG 30 2HH1 ARG 30 1.000 1.803 12.736 217 HH21 ARG 30 1HH2 ARG 30 -0.480 0.148 10.087 218 HH22 ARG 30 2HH2 ARG 30 -0.678 0.786 11.700 219 HA PRO 31 HA PRO 31 9.393 2.487 12.468 220 HB2 PRO 31 1HB PRO 31 11.568 0.799 12.417 221 HB3 PRO 31 2HB PRO 31 10.125 0.510 13.443 222 HG2 PRO 31 1HG PRO 31 10.760 -0.637 10.721 223 HG3 PRO 31 2HG PRO 31 10.233 -1.492 12.206 224 HD2 PRO 31 1HD PRO 31 8.508 -0.840 10.270 225 HD3 PRO 31 2HD PRO 31 8.049 -0.738 11.995 226 H ALA 32 H ALA 32 10.708 4.090 11.917 227 HA ALA 32 HA ALA 32 11.688 4.292 9.147 228 HB1 ALA 32 1HB ALA 32 11.747 6.232 11.464 229 HB2 ALA 32 2HB ALA 32 12.073 6.615 9.759 230 HB3 ALA 32 3HB ALA 32 10.439 6.115 10.258 231 H SER 33 H SER 33 12.907 2.587 11.355 232 HA SER 33 HA SER 33 15.254 3.656 12.420 233 HB2 SER 33 1HB SER 33 15.964 1.221 12.543 234 HB3 SER 33 2HB SER 33 14.375 1.613 13.234 235 HG SER 33 HG SER 33 14.783 0.637 10.595 236 H ARG 34 H ARG 34 16.763 4.692 11.351 237 HA ARG 34 HA ARG 34 17.613 3.902 8.661 238 HB2 ARG 34 1HB ARG 34 17.199 6.259 9.563 239 HB3 ARG 34 2HB ARG 34 18.722 6.093 10.437 240 HG2 ARG 34 1HG ARG 34 19.888 5.762 8.232 241 HG3 ARG 34 2HG ARG 34 18.338 6.052 7.412 242 HD2 ARG 34 1HD ARG 34 18.187 8.263 8.434 243 HD3 ARG 34 2HD ARG 34 19.666 7.959 9.366 244 HE ARG 34 HE ARG 34 20.267 7.648 6.611 245 HH11 ARG 34 1HH1 ARG 34 19.484 10.235 8.883 246 HH12 ARG 34 2HH1 ARG 34 20.358 11.431 7.966 247 HH21 ARG 34 1HH2 ARG 34 21.372 9.236 5.497 248 HH22 ARG 34 2HH2 ARG 34 21.402 10.873 6.089 249 H VAL 35 H VAL 35 18.274 1.762 10.247 250 HA VAL 35 HA VAL 35 21.219 2.021 10.510 251 HB VAL 35 HB VAL 35 21.117 0.442 12.456 252 HG11 VAL 35 1HG1 VAL 35 19.571 3.030 12.921 253 HG12 VAL 35 2HG1 VAL 35 20.491 2.106 14.133 254 HG13 VAL 35 3HG1 VAL 35 21.340 2.897 12.789 255 HG21 VAL 35 1HG2 VAL 35 18.118 1.022 12.437 256 HG22 VAL 35 2HG2 VAL 35 18.867 -0.542 12.046 257 HG23 VAL 35 3HG2 VAL 35 19.002 0.122 13.685 258 H SER 36 H SER 36 22.353 0.352 9.843 259 HA SER 36 HA SER 36 22.926 -1.401 8.482 260 HB2 SER 36 1HB SER 36 22.168 -2.440 10.672 261 HB3 SER 36 2HB SER 36 20.656 -2.868 9.844 262 HG SER 36 HG SER 36 21.896 -4.025 8.332 263 H ARG 37 H ARG 37 20.961 0.360 7.189 264 HA ARG 37 HA ARG 37 18.944 -1.266 5.942 265 HB2 ARG 37 1HB ARG 37 20.149 1.338 4.941 266 HB3 ARG 37 2HB ARG 37 18.640 0.597 4.396 267 HG2 ARG 37 1HG ARG 37 17.954 0.833 6.946 268 HG3 ARG 37 2HG ARG 37 19.232 2.070 6.950 269 HD2 ARG 37 1HD ARG 37 16.736 1.940 5.226 270 HD3 ARG 37 2HD ARG 37 17.173 3.197 6.398 271 HE ARG 37 HE ARG 37 19.235 3.312 4.601 272 HH11 ARG 37 1HH1 ARG 37 15.735 3.379 4.106 273 HH12 ARG 37 2HH1 ARG 37 15.872 4.296 2.629 274 HH21 ARG 37 1HH2 ARG 37 19.323 4.483 2.708 275 HH22 ARG 37 2HH2 ARG 37 17.862 4.911 1.861 276 H ARG 38 H ARG 38 18.981 -2.471 4.153 277 HA ARG 38 HA ARG 38 20.988 -1.957 2.067 278 HB2 ARG 38 1HB ARG 38 21.307 -4.545 1.895 279 HB3 ARG 38 2HB ARG 38 22.330 -3.597 2.971 280 HG2 ARG 38 1HG ARG 38 21.240 -4.373 4.921 281 HG3 ARG 38 2HG ARG 38 19.836 -4.961 4.018 282 HD2 ARG 38 1HD ARG 38 22.635 -6.121 3.779 283 HD3 ARG 38 2HD ARG 38 21.353 -6.793 4.800 284 HE ARG 38 HE ARG 38 21.597 -6.997 1.894 285 HH11 ARG 38 1HH1 ARG 38 19.322 -7.248 4.587 286 HH12 ARG 38 2HH1 ARG 38 18.184 -8.194 3.647 287 HH21 ARG 38 1HH2 ARG 38 20.095 -8.237 0.792 288 HH22 ARG 38 2HH2 ARG 38 18.625 -8.749 1.583 289 H SER 39 H SER 39 18.356 -4.151 3.145 290 HA SER 39 HA SER 39 16.826 -3.450 0.728 291 HB2 SER 39 1HB SER 39 17.337 -6.362 1.444 292 HB3 SER 39 2HB SER 39 16.536 -5.721 -0.005 293 HG SER 39 HG SER 39 18.682 -4.684 -0.407 294 HA PRO 40 HA PRO 40 13.851 -4.065 3.989 295 HB2 PRO 40 1HB PRO 40 11.513 -4.302 2.596 296 HB3 PRO 40 2HB PRO 40 12.365 -2.729 2.743 297 HG2 PRO 40 1HG PRO 40 12.456 -4.730 0.487 298 HG3 PRO 40 2HG PRO 40 12.183 -2.962 0.411 299 HD2 PRO 40 1HD PRO 40 14.596 -4.086 -0.062 300 HD3 PRO 40 2HD PRO 40 14.429 -2.486 0.743 301 H GLN 41 H GLN 41 12.746 -5.872 4.924 302 HA GLN 41 HA GLN 41 12.865 -8.408 3.329 303 HB2 GLN 41 1HB GLN 41 13.481 -8.053 6.284 304 HB3 GLN 41 2HB GLN 41 13.403 -9.596 5.436 305 HG2 GLN 41 1HG GLN 41 15.401 -7.361 4.889 306 HG3 GLN 41 2HG GLN 41 15.725 -8.829 5.816 307 HE21 GLN 41 1HE2 GLN 41 15.177 -10.735 2.554 308 HE22 GLN 41 2HE2 GLN 41 14.159 -10.557 3.961 309 H ARG 42 H ARG 42 11.288 -6.489 5.846 310 HA ARG 42 HA ARG 42 8.804 -8.002 5.388 311 HB2 ARG 42 1HB ARG 42 8.450 -8.284 7.686 312 HB3 ARG 42 2HB ARG 42 10.026 -8.934 7.369 313 HG2 ARG 42 1HG ARG 42 11.079 -7.082 8.475 314 HG3 ARG 42 2HG ARG 42 9.544 -6.174 8.541 315 HD2 ARG 42 1HD ARG 42 8.546 -7.988 9.876 316 HD3 ARG 42 2HD ARG 42 10.105 -8.824 9.891 317 HE ARG 42 HE ARG 42 10.665 -6.320 10.918 318 HH11 ARG 42 1HH1 ARG 42 8.376 -8.853 11.798 319 HH12 ARG 42 2HH1 ARG 42 8.425 -8.445 13.492 320 HH21 ARG 42 1HH2 ARG 42 10.680 -5.849 13.105 321 HH22 ARG 42 2HH2 ARG 42 9.692 -6.761 14.211 322 H GLY 43 H GLY 43 6.999 -6.661 6.777 323 HA2 GLY 43 1HA GLY 43 6.551 -4.310 7.480 324 HA3 GLY 43 2HA GLY 43 7.528 -3.788 6.096 325 H ILE 44 H ILE 44 6.230 -2.942 4.579 326 HA ILE 44 HA ILE 44 3.448 -3.406 4.351 327 HB ILE 44 HB ILE 44 4.688 -1.433 3.390 328 HG12 ILE 44 1HG1 ILE 44 3.623 -1.515 1.026 329 HG13 ILE 44 2HG1 ILE 44 2.958 -3.061 1.506 330 HG21 ILE 44 1HG2 ILE 44 5.592 -3.346 1.193 331 HG22 ILE 44 2HG2 ILE 44 5.918 -1.606 1.294 332 HG23 ILE 44 3HG2 ILE 44 6.637 -2.717 2.471 333 HD11 ILE 44 1HD1 ILE 44 1.749 -1.988 3.333 334 HD12 ILE 44 2HD1 ILE 44 2.467 -0.419 2.870 335 HD13 ILE 44 3HD1 ILE 44 1.377 -1.261 1.750 336 H VAL 45 H VAL 45 6.148 -5.253 3.007 337 HA VAL 45 HA VAL 45 4.602 -6.615 1.023 338 HB VAL 45 HB VAL 45 6.552 -7.504 0.408 339 HG11 VAL 45 1HG1 VAL 45 7.352 -5.280 1.211 340 HG12 VAL 45 2HG1 VAL 45 7.827 -6.042 2.759 341 HG13 VAL 45 3HG1 VAL 45 8.614 -6.523 1.242 342 HG21 VAL 45 1HG2 VAL 45 7.074 -8.466 3.235 343 HG22 VAL 45 2HG2 VAL 45 6.354 -9.404 1.896 344 HG23 VAL 45 3HG2 VAL 45 8.045 -8.877 1.807 345 H GLU 46 H GLU 46 5.065 -7.157 4.463 346 HA GLU 46 HA GLU 46 4.061 -9.880 4.449 347 HB2 GLU 46 1HB GLU 46 4.092 -7.769 6.638 348 HB3 GLU 46 2HB GLU 46 3.634 -9.453 6.886 349 HG2 GLU 46 1HG GLU 46 5.850 -10.213 6.369 350 HG3 GLU 46 2HG GLU 46 6.344 -8.586 5.869 351 H GLU 47 H GLU 47 2.657 -6.657 4.686 352 HA GLU 47 HA GLU 47 0.004 -7.637 5.357 353 HB2 GLU 47 1HB GLU 47 0.884 -4.925 4.307 354 HB3 GLU 47 2HB GLU 47 -0.655 -5.300 5.074 355 HG2 GLU 47 1HG GLU 47 2.080 -5.387 6.405 356 HG3 GLU 47 2HG GLU 47 0.881 -4.105 6.576 357 H CYS 48 H CYS 48 1.589 -6.366 2.407 358 HA CYS 48 HA CYS 48 -0.975 -6.781 0.963 359 HB2 CYS 48 1HB CYS 48 1.451 -5.098 0.301 360 HB3 CYS 48 2HB CYS 48 -0.005 -5.220 -0.693 361 H CYS 49 H CYS 49 2.171 -8.262 1.045 362 HA CYS 49 HA CYS 49 1.684 -9.301 -1.723 363 HB2 CYS 49 1HB CYS 49 3.837 -8.152 -1.439 364 HB3 CYS 49 2HB CYS 49 4.257 -9.260 -0.133 365 H PHE 50 H PHE 50 2.653 -10.273 1.590 366 HA PHE 50 HA PHE 50 2.272 -13.112 0.906 367 HB2 PHE 50 1HB PHE 50 2.768 -11.753 3.580 368 HB3 PHE 50 2HB PHE 50 2.805 -13.489 3.282 369 HD1 PHE 50 1HD PHE 50 4.279 -13.034 0.416 370 HD2 PHE 50 2HD PHE 50 5.055 -11.815 4.481 371 HE1 PHE 50 1HE PHE 50 6.697 -12.869 -0.096 372 HE2 PHE 50 2HE PHE 50 7.484 -11.667 3.970 373 HZ PHE 50 HZ PHE 50 8.311 -12.186 1.675 374 H ARG 51 H ARG 51 0.377 -10.499 1.947 375 HA ARG 51 HA ARG 51 -1.980 -12.278 2.342 376 HB2 ARG 51 1HB ARG 51 -1.020 -10.035 4.151 377 HB3 ARG 51 2HB ARG 51 -2.722 -10.486 4.069 378 HG2 ARG 51 1HG ARG 51 -2.245 -12.720 4.854 379 HG3 ARG 51 2HG ARG 51 -0.498 -12.395 4.843 380 HD2 ARG 51 1HD ARG 51 -2.458 -10.729 6.437 381 HD3 ARG 51 2HD ARG 51 -1.690 -12.190 7.099 382 HE ARG 51 HE ARG 51 0.481 -10.890 6.245 383 HH11 ARG 51 1HH1 ARG 51 -2.258 -9.459 7.972 384 HH12 ARG 51 2HH1 ARG 51 -1.253 -8.210 8.667 385 HH21 ARG 51 1HH2 ARG 51 1.660 -9.351 7.239 386 HH22 ARG 51 2HH2 ARG 51 0.916 -8.157 8.286 387 H SER 52 H SER 52 -3.977 -10.698 2.185 388 HA SER 52 HA SER 52 -3.484 -8.802 -0.053 389 HB2 SER 52 1HB SER 52 -6.020 -8.738 -0.033 390 HB3 SER 52 2HB SER 52 -5.326 -10.329 -0.412 391 HG SER 52 HG SER 52 -7.088 -9.890 1.371 392 H CYS 53 H CYS 53 -4.246 -6.582 0.176 393 HA CYS 53 HA CYS 53 -4.931 -5.759 2.940 394 HB2 CYS 53 1HB CYS 53 -3.254 -4.068 3.029 395 HB3 CYS 53 2HB CYS 53 -2.448 -5.583 2.640 396 H ASP 54 H ASP 54 -5.632 -3.484 3.038 397 HA ASP 54 HA ASP 54 -7.031 -2.683 0.517 398 HB2 ASP 54 1HB ASP 54 -8.507 -3.192 2.470 399 HB3 ASP 54 2HB ASP 54 -7.649 -1.948 3.403 400 H LEU 55 H LEU 55 -7.127 -0.357 0.118 401 HA LEU 55 HA LEU 55 -4.596 0.900 0.332 402 HB2 LEU 55 1HB LEU 55 -5.696 2.877 -0.538 403 HB3 LEU 55 2HB LEU 55 -6.185 1.435 -1.414 404 HG LEU 55 HG LEU 55 -8.187 1.719 0.506 405 HD11 LEU 55 1HD1 LEU 55 -7.322 3.970 1.088 406 HD12 LEU 55 2HD1 LEU 55 -8.928 4.050 0.336 407 HD13 LEU 55 3HD1 LEU 55 -7.480 4.463 -0.615 408 HD21 LEU 55 1HD2 LEU 55 -8.461 1.073 -1.848 409 HD22 LEU 55 2HD2 LEU 55 -8.120 2.743 -2.357 410 HD23 LEU 55 3HD2 LEU 55 -9.579 2.376 -1.404 411 H ALA 56 H ALA 56 -7.388 1.013 2.529 412 HA ALA 56 HA ALA 56 -6.537 3.334 3.986 413 HB1 ALA 56 1HB ALA 56 -8.140 0.904 4.898 414 HB2 ALA 56 2HB ALA 56 -8.026 2.459 5.765 415 HB3 ALA 56 3HB ALA 56 -8.807 2.383 4.165 416 H LEU 57 H LEU 57 -5.923 -0.159 4.424 417 HA LEU 57 HA LEU 57 -4.321 0.129 6.798 418 HB2 LEU 57 1HB LEU 57 -5.405 -1.983 6.045 419 HB3 LEU 57 2HB LEU 57 -4.306 -2.054 4.665 420 HG LEU 57 HG LEU 57 -3.031 -1.794 7.327 421 HD11 LEU 57 1HD1 LEU 57 -4.855 -3.335 7.865 422 HD12 LEU 57 2HD1 LEU 57 -3.306 -4.209 7.828 423 HD13 LEU 57 3HD1 LEU 57 -4.437 -4.349 6.463 424 HD21 LEU 57 1HD2 LEU 57 -1.474 -3.440 6.409 425 HD22 LEU 57 2HD2 LEU 57 -1.690 -2.092 5.280 426 HD23 LEU 57 3HD2 LEU 57 -2.502 -3.642 4.980 427 H LEU 58 H LEU 58 -3.666 -0.066 3.334 428 HA LEU 58 HA LEU 58 -0.848 -0.113 3.401 429 HB2 LEU 58 1HB LEU 58 -2.600 -0.376 1.510 430 HB3 LEU 58 2HB LEU 58 -2.517 1.366 1.367 431 HG LEU 58 HG LEU 58 -0.350 -0.645 0.771 432 HD11 LEU 58 1HD1 LEU 58 -0.618 0.255 -1.452 433 HD12 LEU 58 2HD1 LEU 58 -1.866 1.385 -0.854 434 HD13 LEU 58 3HD1 LEU 58 -2.156 -0.378 -0.826 435 HD21 LEU 58 1HD2 LEU 58 0.891 1.178 1.615 436 HD22 LEU 58 2HD2 LEU 58 -0.196 2.365 0.879 437 HD23 LEU 58 3HD2 LEU 58 0.875 1.387 -0.143 438 H GLU 59 H GLU 59 -3.119 2.665 3.370 439 HA GLU 59 HA GLU 59 -1.208 4.708 3.086 440 HB2 GLU 59 1HB GLU 59 -3.677 4.977 2.929 441 HB3 GLU 59 2HB GLU 59 -3.797 4.831 4.684 442 HG2 GLU 59 1HG GLU 59 -2.567 6.884 5.014 443 HG3 GLU 59 2HG GLU 59 -2.131 6.957 3.306 444 H THR 60 H THR 60 -1.775 2.726 5.919 445 HA THR 60 HA THR 60 -0.744 4.629 7.814 446 HB THR 60 HB THR 60 -0.595 2.825 9.373 447 HG1 THR 60 1HG THR 60 -1.095 1.018 7.213 448 HG21 THR 60 1HG2 THR 60 -2.883 3.621 8.688 449 HG22 THR 60 2HG2 THR 60 -2.867 1.933 9.249 450 HG23 THR 60 3HG2 THR 60 -2.962 2.293 7.512 451 H TYR 61 H TYR 61 0.806 2.806 5.358 452 HA TYR 61 HA TYR 61 3.478 3.000 6.664 453 HB2 TYR 61 1HB TYR 61 2.479 1.769 4.074 454 HB3 TYR 61 2HB TYR 61 4.188 1.928 4.460 455 HD1 TYR 61 1HD TYR 61 1.014 0.276 5.580 456 HD2 TYR 61 2HD TYR 61 5.303 0.428 5.916 457 HE1 TYR 61 1HE TYR 61 0.999 -1.880 6.848 458 HE2 TYR 61 2HE TYR 61 5.266 -1.730 7.174 459 HH TYR 61 HH TYR 61 2.337 -3.553 7.843 460 H CYS 62 H CYS 62 1.439 5.067 5.043 461 HA CYS 62 HA CYS 62 3.292 6.223 3.124 462 HB2 CYS 62 1HB CYS 62 0.745 6.386 3.140 463 HB3 CYS 62 2HB CYS 62 0.910 7.561 4.441 464 H ALA 63 H ALA 63 4.284 8.361 3.353 465 HA ALA 63 HA ALA 63 5.511 8.655 5.964 466 HB1 ALA 63 1HB ALA 63 5.585 10.398 3.484 467 HB2 ALA 63 2HB ALA 63 6.658 10.564 4.895 468 HB3 ALA 63 3HB ALA 63 6.728 9.096 3.887 469 H THR 64 H THR 64 2.672 9.927 4.450 470 HA THR 64 HA THR 64 2.362 11.859 6.697 471 HB THR 64 HB THR 64 1.123 13.341 5.046 472 HG1 THR 64 1HG THR 64 1.044 11.489 3.478 473 HG21 THR 64 1HG2 THR 64 3.132 14.341 4.166 474 HG22 THR 64 2HG2 THR 64 4.040 12.834 4.383 475 HG23 THR 64 3HG2 THR 64 3.460 13.740 5.807 476 HA PRO 65 HA PRO 65 -1.533 9.937 7.163 477 HB2 PRO 65 1HB PRO 65 -3.006 11.803 8.465 478 HB3 PRO 65 2HB PRO 65 -1.530 11.099 9.201 479 HG2 PRO 65 1HG PRO 65 -1.860 13.687 7.723 480 HG3 PRO 65 2HG PRO 65 -1.097 13.382 9.315 481 HD2 PRO 65 1HD PRO 65 0.320 13.587 6.985 482 HD3 PRO 65 2HD PRO 65 0.859 12.541 8.336 483 H ALA 66 H ALA 66 -4.035 10.447 6.921 484 HA ALA 66 HA ALA 66 -4.549 10.843 4.169 485 HB1 ALA 66 1HB ALA 66 -6.467 11.035 6.537 486 HB2 ALA 66 2HB ALA 66 -6.936 10.830 4.833 487 HB3 ALA 66 3HB ALA 66 -6.032 9.544 5.660 488 H LYS 67 H LYS 67 -5.077 12.538 2.963 489 HA LYS 67 HA LYS 67 -4.873 15.223 4.224 490 HB2 LYS 67 1HB LYS 67 -4.356 15.943 1.859 491 HB3 LYS 67 2HB LYS 67 -3.191 14.869 2.627 492 HG2 LYS 67 1HG LYS 67 -4.061 12.938 1.350 493 HG3 LYS 67 2HG LYS 67 -5.278 13.985 0.587 494 HD2 LYS 67 1HD LYS 67 -3.492 15.348 -0.421 495 HD3 LYS 67 2HD LYS 67 -2.257 14.338 0.351 496 HE2 LYS 67 1HE LYS 67 -4.342 13.209 -1.565 497 HE3 LYS 67 2HE LYS 67 -2.796 13.861 -2.127 498 HZ1 LYS 67 1HZ LYS 67 -2.738 11.436 -1.843 499 HZ2 LYS 67 2HZ LYS 67 -3.046 11.583 -0.232 500 HZ3 LYS 67 3HZ LYS 67 -1.638 12.170 -0.861 501 H SER 68 H SER 68 -7.292 14.012 4.584 502 HA SER 68 HA SER 68 -9.068 15.660 2.837 503 HB2 SER 68 1HB SER 68 -9.068 13.285 2.063 504 HB3 SER 68 2HB SER 68 -9.639 12.790 3.668 505 HG SER 68 HG SER 68 -11.496 14.020 3.339 506 H GLU 69 H GLU 69 -8.457 16.821 5.058 507 HA GLU 69 HA GLU 69 -10.440 16.068 7.145 508 HB2 GLU 69 1HB GLU 69 -8.056 16.505 7.843 509 HB3 GLU 69 2HB GLU 69 -8.211 18.166 7.276 510 HG2 GLU 69 1HG GLU 69 -8.609 18.154 9.691 511 HG3 GLU 69 2HG GLU 69 -10.149 18.487 8.906 Start of MODEL 16 1 HA ALA 1 HA ALA 1 -15.944 -11.703 -10.373 2 HB1 ALA 1 1HB ALA 1 -15.556 -9.653 -12.622 3 HB2 ALA 1 2HB ALA 1 -14.850 -11.278 -12.573 4 HB3 ALA 1 3HB ALA 1 -16.607 -11.083 -12.708 5 H TYR 2 H TYR 2 -14.030 -12.065 -9.599 6 HA TYR 2 HA TYR 2 -12.396 -9.740 -8.717 7 HB2 TYR 2 1HB TYR 2 -12.379 -12.638 -7.808 8 HB3 TYR 2 2HB TYR 2 -11.457 -11.319 -7.106 9 HD1 TYR 2 1HD TYR 2 -13.027 -9.186 -6.383 10 HD2 TYR 2 2HD TYR 2 -14.340 -13.278 -6.687 11 HE1 TYR 2 1HE TYR 2 -14.937 -8.696 -4.853 12 HE2 TYR 2 2HE TYR 2 -16.246 -12.774 -5.155 13 HH TYR 2 HH TYR 2 -17.314 -11.186 -3.910 14 H ARG 3 H ARG 3 -10.028 -10.095 -8.759 15 HA ARG 3 HA ARG 3 -9.208 -11.673 -11.176 16 HB2 ARG 3 1HB ARG 3 -8.068 -9.189 -9.843 17 HB3 ARG 3 2HB ARG 3 -7.176 -10.127 -11.043 18 HG2 ARG 3 1HG ARG 3 -8.993 -9.749 -12.680 19 HG3 ARG 3 2HG ARG 3 -9.821 -8.715 -11.499 20 HD2 ARG 3 1HD ARG 3 -7.973 -7.158 -11.471 21 HD3 ARG 3 2HD ARG 3 -6.968 -8.263 -12.421 22 HE ARG 3 HE ARG 3 -8.098 -7.684 -14.377 23 HH11 ARG 3 1HH1 ARG 3 -9.656 -6.067 -11.649 24 HH12 ARG 3 2HH1 ARG 3 -10.565 -5.004 -12.691 25 HH21 ARG 3 1HH2 ARG 3 -9.307 -6.318 -15.631 26 HH22 ARG 3 2HH2 ARG 3 -10.374 -5.150 -14.898 27 HA PRO 4 HA PRO 4 -6.676 -14.197 -8.518 28 HB2 PRO 4 1HB PRO 4 -4.412 -13.619 -10.438 29 HB3 PRO 4 2HB PRO 4 -4.984 -15.192 -9.813 30 HG2 PRO 4 1HG PRO 4 -5.549 -14.482 -12.294 31 HG3 PRO 4 2HG PRO 4 -6.832 -15.210 -11.271 32 HD2 PRO 4 1HD PRO 4 -6.363 -12.289 -11.920 33 HD3 PRO 4 2HD PRO 4 -7.889 -13.234 -11.941 34 H SER 5 H SER 5 -5.272 -11.219 -9.867 35 HA SER 5 HA SER 5 -3.444 -10.970 -7.567 36 HB2 SER 5 1HB SER 5 -3.630 -9.352 -10.122 37 HB3 SER 5 2HB SER 5 -2.295 -9.341 -8.943 38 HG SER 5 HG SER 5 -1.889 -11.497 -9.472 39 H GLU 6 H GLU 6 -5.811 -10.528 -6.487 40 HA GLU 6 HA GLU 6 -6.532 -7.669 -6.557 41 HB2 GLU 6 1HB GLU 6 -7.156 -9.894 -4.576 42 HB3 GLU 6 2HB GLU 6 -7.816 -8.265 -4.460 43 HG2 GLU 6 1HG GLU 6 -8.221 -10.025 -6.878 44 HG3 GLU 6 2HG GLU 6 -9.312 -10.074 -5.496 45 H THR 7 H THR 7 -4.288 -9.803 -4.964 46 HA THR 7 HA THR 7 -3.655 -8.016 -2.755 47 HB THR 7 HB THR 7 -1.622 -9.720 -2.727 48 HG1 THR 7 1HG THR 7 -2.250 -11.674 -3.765 49 HG21 THR 7 1HG2 THR 7 -3.446 -9.724 -1.074 50 HG22 THR 7 2HG2 THR 7 -3.044 -11.377 -1.563 51 HG23 THR 7 3HG2 THR 7 -4.498 -10.595 -2.226 52 H LEU 8 H LEU 8 -1.803 -6.806 -2.476 53 HA LEU 8 HA LEU 8 -0.541 -5.919 -5.032 54 HB2 LEU 8 1HB LEU 8 -0.758 -4.622 -2.306 55 HB3 LEU 8 2HB LEU 8 0.114 -3.941 -3.671 56 HG LEU 8 HG LEU 8 -2.849 -4.476 -3.674 57 HD11 LEU 8 1HD1 LEU 8 -1.310 -1.920 -3.161 58 HD12 LEU 8 2HD1 LEU 8 -2.289 -2.822 -1.978 59 HD13 LEU 8 3HD1 LEU 8 -3.075 -2.043 -3.368 60 HD21 LEU 8 1HD2 LEU 8 -1.834 -4.435 -5.910 61 HD22 LEU 8 2HD2 LEU 8 -1.075 -2.864 -5.533 62 HD23 LEU 8 3HD2 LEU 8 -2.841 -2.995 -5.644 63 H CYS 9 H CYS 9 1.339 -6.754 -5.448 64 HA CYS 9 HA CYS 9 3.155 -7.412 -3.158 65 HB2 CYS 9 1HB CYS 9 1.889 -9.200 -4.786 66 HB3 CYS 9 2HB CYS 9 3.414 -8.995 -5.651 67 H GLY 10 H GLY 10 3.306 -7.004 -6.729 68 HA2 GLY 10 1HA GLY 10 6.150 -6.289 -6.494 69 HA3 GLY 10 2HA GLY 10 5.249 -6.613 -7.977 70 H GLY 11 H GLY 11 5.602 -4.847 -9.220 71 HA2 GLY 11 1HA GLY 11 5.939 -2.216 -8.276 72 HA3 GLY 11 2HA GLY 11 5.449 -2.664 -9.919 73 H GLU 12 H GLU 12 2.967 -4.022 -8.780 74 HA GLU 12 HA GLU 12 1.163 -1.844 -9.000 75 HB2 GLU 12 1HB GLU 12 0.927 -4.546 -9.039 76 HB3 GLU 12 2HB GLU 12 0.378 -4.236 -7.392 77 HG2 GLU 12 1HG GLU 12 -1.589 -4.182 -8.615 78 HG3 GLU 12 2HG GLU 12 -1.185 -2.470 -8.428 79 H LEU 13 H LEU 13 2.798 -3.292 -6.202 80 HA LEU 13 HA LEU 13 1.093 -2.020 -4.226 81 HB2 LEU 13 1HB LEU 13 2.427 -4.046 -3.760 82 HB3 LEU 13 2HB LEU 13 3.914 -3.164 -4.068 83 HG LEU 13 HG LEU 13 3.667 -1.855 -2.083 84 HD11 LEU 13 1HD1 LEU 13 1.211 -1.555 -2.045 85 HD12 LEU 13 2HD1 LEU 13 1.831 -2.136 -0.496 86 HD13 LEU 13 3HD1 LEU 13 1.021 -3.267 -1.596 87 HD21 LEU 13 1HD2 LEU 13 3.015 -4.775 -1.539 88 HD22 LEU 13 2HD2 LEU 13 3.807 -3.644 -0.415 89 HD23 LEU 13 3HD2 LEU 13 4.627 -4.126 -1.924 90 H VAL 14 H VAL 14 4.185 -1.302 -5.857 91 HA VAL 14 HA VAL 14 4.847 1.035 -4.352 92 HB VAL 14 HB VAL 14 5.564 0.341 -7.247 93 HG11 VAL 14 1HG1 VAL 14 5.988 2.709 -6.772 94 HG12 VAL 14 2HG1 VAL 14 6.868 2.267 -5.286 95 HG13 VAL 14 3HG1 VAL 14 7.521 1.824 -6.876 96 HG21 VAL 14 1HG2 VAL 14 7.682 -0.534 -6.277 97 HG22 VAL 14 2HG2 VAL 14 7.030 -0.257 -4.643 98 HG23 VAL 14 3HG2 VAL 14 6.266 -1.450 -5.722 99 H ASP 15 H ASP 15 3.042 0.518 -7.392 100 HA ASP 15 HA ASP 15 2.461 3.216 -8.020 101 HB2 ASP 15 1HB ASP 15 2.007 1.305 -9.511 102 HB3 ASP 15 2HB ASP 15 0.791 0.701 -8.384 103 H THR 16 H THR 16 0.621 0.889 -5.989 104 HA THR 16 HA THR 16 -1.446 2.727 -5.309 105 HB THR 16 HB THR 16 -0.432 0.456 -3.537 106 HG1 THR 16 1HG THR 16 -0.880 -0.175 -5.765 107 HG21 THR 16 1HG2 THR 16 -3.132 1.815 -3.916 108 HG22 THR 16 2HG2 THR 16 -2.089 1.903 -2.475 109 HG23 THR 16 3HG2 THR 16 -2.852 0.363 -2.932 110 H LEU 17 H LEU 17 1.701 2.043 -3.766 111 HA LEU 17 HA LEU 17 1.215 3.646 -1.429 112 HB2 LEU 17 1HB LEU 17 3.675 2.647 -2.849 113 HB3 LEU 17 2HB LEU 17 3.808 3.751 -1.485 114 HG LEU 17 HG LEU 17 2.131 1.299 -1.149 115 HD11 LEU 17 1HD1 LEU 17 4.039 -0.017 -0.524 116 HD12 LEU 17 2HD1 LEU 17 5.139 1.311 -0.953 117 HD13 LEU 17 3HD1 LEU 17 4.169 0.502 -2.203 118 HD21 LEU 17 1HD2 LEU 17 2.915 1.479 1.153 119 HD22 LEU 17 2HD2 LEU 17 2.291 3.053 0.629 120 HD23 LEU 17 3HD2 LEU 17 4.047 2.772 0.709 121 H GLN 18 H GLN 18 2.542 4.379 -4.674 122 HA GLN 18 HA GLN 18 3.195 7.131 -4.046 123 HB2 GLN 18 1HB GLN 18 2.604 5.684 -6.651 124 HB3 GLN 18 2HB GLN 18 3.121 7.373 -6.569 125 HG2 GLN 18 1HG GLN 18 5.243 6.776 -5.643 126 HG3 GLN 18 2HG GLN 18 4.730 5.111 -5.355 127 HE21 GLN 18 1HE2 GLN 18 6.625 5.922 -8.698 128 HE22 GLN 18 2HE2 GLN 18 6.615 6.942 -7.280 129 H PHE 19 H PHE 19 0.302 5.464 -5.330 130 HA PHE 19 HA PHE 19 -1.207 7.811 -5.910 131 HB2 PHE 19 1HB PHE 19 -1.761 5.553 -6.722 132 HB3 PHE 19 2HB PHE 19 -2.119 5.034 -5.071 133 HD1 PHE 19 1HD PHE 19 -4.225 5.513 -4.025 134 HD2 PHE 19 2HD PHE 19 -3.249 7.219 -7.851 135 HE1 PHE 19 1HE PHE 19 -6.594 6.223 -4.302 136 HE2 PHE 19 2HE PHE 19 -5.617 7.931 -8.144 137 HZ PHE 19 HZ PHE 19 -7.298 7.439 -6.364 138 H VAL 20 H VAL 20 -1.119 5.792 -2.919 139 HA VAL 20 HA VAL 20 -3.143 7.425 -1.671 140 HB VAL 20 HB VAL 20 -2.698 4.955 -1.164 141 HG11 VAL 20 1HG1 VAL 20 -0.264 5.065 -0.881 142 HG12 VAL 20 2HG1 VAL 20 -0.451 6.095 0.554 143 HG13 VAL 20 3HG1 VAL 20 -1.051 4.429 0.563 144 HG21 VAL 20 1HG2 VAL 20 -3.343 5.137 1.159 145 HG22 VAL 20 2HG2 VAL 20 -2.795 6.830 1.207 146 HG23 VAL 20 3HG2 VAL 20 -4.177 6.367 0.187 147 H CYS 21 H CYS 21 0.355 7.662 -1.812 148 HA CYS 21 HA CYS 21 0.411 9.585 0.451 149 HB2 CYS 21 1HB CYS 21 2.528 8.197 -1.200 150 HB3 CYS 21 2HB CYS 21 2.913 9.520 -0.092 151 H GLY 22 H GLY 22 0.767 9.630 -3.086 152 HA2 GLY 22 1HA GLY 22 0.999 11.479 -4.460 153 HA3 GLY 22 2HA GLY 22 1.134 12.533 -3.030 154 H ASP 23 H ASP 23 2.890 13.266 -4.523 155 HA ASP 23 HA ASP 23 5.256 11.806 -5.028 156 HB2 ASP 23 1HB ASP 23 4.394 13.978 -6.066 157 HB3 ASP 23 2HB ASP 23 5.058 14.808 -4.647 158 H ARG 24 H ARG 24 4.225 12.728 -1.954 159 HA ARG 24 HA ARG 24 6.823 13.620 -0.967 160 HB2 ARG 24 1HB ARG 24 4.238 12.913 0.455 161 HB3 ARG 24 2HB ARG 24 5.683 13.525 1.258 162 HG2 ARG 24 1HG ARG 24 4.033 15.006 -0.821 163 HG3 ARG 24 2HG ARG 24 4.098 15.331 0.912 164 HD2 ARG 24 1HD ARG 24 6.333 15.721 -1.125 165 HD3 ARG 24 2HD ARG 24 5.465 16.977 -0.225 166 HE ARG 24 HE ARG 24 6.789 15.095 1.532 167 HH11 ARG 24 1HH1 ARG 24 7.441 17.921 -0.478 168 HH12 ARG 24 2HH1 ARG 24 8.857 18.364 0.436 169 HH21 ARG 24 1HH2 ARG 24 8.610 15.714 2.650 170 HH22 ARG 24 2HH2 ARG 24 9.506 17.131 2.173 171 H GLY 25 H GLY 25 5.650 10.544 -1.669 172 HA2 GLY 25 1HA GLY 25 6.976 8.651 -1.488 173 HA3 GLY 25 2HA GLY 25 8.028 9.485 -0.353 174 H PHE 26 H PHE 26 7.858 7.088 0.242 175 HA PHE 26 HA PHE 26 6.168 6.786 2.626 176 HB2 PHE 26 1HB PHE 26 5.315 4.569 1.718 177 HB3 PHE 26 2HB PHE 26 4.600 6.003 0.977 178 HD1 PHE 26 1HD PHE 26 6.906 3.160 0.407 179 HD2 PHE 26 2HD PHE 26 5.028 6.623 -1.317 180 HE1 PHE 26 1HE PHE 26 7.610 2.414 -1.864 181 HE2 PHE 26 2HE PHE 26 5.745 5.906 -3.560 182 HZ PHE 26 HZ PHE 26 7.035 3.801 -3.854 183 H TYR 27 H TYR 27 6.735 4.557 3.618 184 HA TYR 27 HA TYR 27 9.542 3.802 2.835 185 HB2 TYR 27 1HB TYR 27 8.238 3.796 5.581 186 HB3 TYR 27 2HB TYR 27 9.855 3.185 5.216 187 HD1 TYR 27 1HD TYR 27 7.786 6.225 5.674 188 HD2 TYR 27 2HD TYR 27 11.719 4.730 4.757 189 HE1 TYR 27 1HE TYR 27 8.755 8.482 6.102 190 HE2 TYR 27 2HE TYR 27 12.666 7.007 5.161 191 HH TYR 27 HH TYR 27 10.622 9.790 6.061 192 H PHE 28 H PHE 28 9.739 1.680 2.252 193 HA PHE 28 HA PHE 28 7.440 -0.079 2.394 194 HB2 PHE 28 1HB PHE 28 10.168 -0.187 1.308 195 HB3 PHE 28 2HB PHE 28 9.704 -1.712 2.080 196 HD1 PHE 28 1HD PHE 28 8.225 0.822 -0.301 197 HD2 PHE 28 2HD PHE 28 8.633 -3.318 0.797 198 HE1 PHE 28 1HE PHE 28 6.927 0.157 -2.321 199 HE2 PHE 28 2HE PHE 28 7.325 -3.991 -1.214 200 HZ PHE 28 HZ PHE 28 6.466 -2.247 -2.773 201 H SER 29 H SER 29 10.513 0.211 4.169 202 HA SER 29 HA SER 29 9.864 -1.981 5.968 203 HB2 SER 29 1HB SER 29 12.103 0.066 6.038 204 HB3 SER 29 2HB SER 29 12.015 -1.450 6.953 205 HG SER 29 HG SER 29 12.028 -2.583 4.979 206 H ARG 30 H ARG 30 8.008 0.142 6.093 207 HA ARG 30 HA ARG 30 6.711 1.267 7.599 208 HB2 ARG 30 1HB ARG 30 8.591 0.297 9.782 209 HB3 ARG 30 2HB ARG 30 7.067 1.104 10.035 210 HG2 ARG 30 1HG ARG 30 6.634 -1.149 10.466 211 HG3 ARG 30 2HG ARG 30 5.934 -0.854 8.875 212 HD2 ARG 30 1HD ARG 30 7.548 -2.150 7.782 213 HD3 ARG 30 2HD ARG 30 8.762 -1.872 9.033 214 HE ARG 30 HE ARG 30 6.713 -3.956 8.992 215 HH11 ARG 30 1HH1 ARG 30 9.082 -2.251 10.968 216 HH12 ARG 30 2HH1 ARG 30 9.199 -3.550 12.123 217 HH21 ARG 30 1HH2 ARG 30 6.920 -5.584 10.485 218 HH22 ARG 30 2HH2 ARG 30 7.975 -5.406 11.857 219 HA PRO 31 HA PRO 31 8.682 5.155 7.837 220 HB2 PRO 31 1HB PRO 31 6.805 5.915 10.047 221 HB3 PRO 31 2HB PRO 31 7.032 6.684 8.441 222 HG2 PRO 31 1HG PRO 31 4.856 5.279 8.938 223 HG3 PRO 31 2HG PRO 31 5.715 5.085 7.372 224 HD2 PRO 31 1HD PRO 31 5.901 3.361 9.846 225 HD3 PRO 31 2HD PRO 31 5.578 2.865 8.148 226 H ALA 32 H ALA 32 9.953 6.588 9.244 227 HA ALA 32 HA ALA 32 11.287 5.155 11.376 228 HB1 ALA 32 1HB ALA 32 12.581 7.244 11.625 229 HB2 ALA 32 2HB ALA 32 12.444 6.798 9.907 230 HB3 ALA 32 3HB ALA 32 11.427 8.099 10.574 231 H SER 33 H SER 33 8.476 7.105 11.202 232 HA SER 33 HA SER 33 8.499 8.584 13.548 233 HB2 SER 33 1HB SER 33 6.103 7.307 12.191 234 HB3 SER 33 2HB SER 33 6.110 8.767 13.200 235 HG SER 33 HG SER 33 6.196 9.241 10.938 236 H ARG 34 H ARG 34 9.148 7.614 15.418 237 HA ARG 34 HA ARG 34 8.835 6.709 17.465 238 HB2 ARG 34 1HB ARG 34 6.636 7.987 17.033 239 HB3 ARG 34 2HB ARG 34 5.894 6.396 16.866 240 HG2 ARG 34 1HG ARG 34 6.547 5.845 19.187 241 HG3 ARG 34 2HG ARG 34 7.350 7.420 19.335 242 HD2 ARG 34 1HD ARG 34 5.195 8.559 18.941 243 HD3 ARG 34 2HD ARG 34 4.397 6.983 18.761 244 HE ARG 34 HE ARG 34 5.717 7.017 21.268 245 HH11 ARG 34 1HH1 ARG 34 2.948 8.582 19.730 246 HH12 ARG 34 2HH1 ARG 34 2.115 8.806 21.245 247 HH21 ARG 34 1HH2 ARG 34 4.585 7.333 23.164 248 HH22 ARG 34 2HH2 ARG 34 3.029 8.114 23.149 249 H VAL 35 H VAL 35 8.562 4.804 14.895 250 HA VAL 35 HA VAL 35 8.346 2.343 16.593 251 HB VAL 35 HB VAL 35 7.495 1.159 14.582 252 HG11 VAL 35 1HG1 VAL 35 5.214 2.023 14.713 253 HG12 VAL 35 2HG1 VAL 35 5.970 2.084 16.322 254 HG13 VAL 35 3HG1 VAL 35 5.807 3.571 15.364 255 HG21 VAL 35 1HG2 VAL 35 6.640 2.443 12.658 256 HG22 VAL 35 2HG2 VAL 35 7.239 3.954 13.363 257 HG23 VAL 35 3HG2 VAL 35 8.383 2.701 12.835 258 H SER 36 H SER 36 10.485 4.106 16.025 259 HA SER 36 HA SER 36 12.237 3.132 14.003 260 HB2 SER 36 1HB SER 36 13.411 4.519 16.355 261 HB3 SER 36 2HB SER 36 13.462 4.940 14.630 262 HG SER 36 HG SER 36 11.507 5.928 14.815 263 H ARG 37 H ARG 37 11.877 0.752 14.710 264 HA ARG 37 HA ARG 37 13.450 -0.154 17.004 265 HB2 ARG 37 1HB ARG 37 12.189 -1.696 14.702 266 HB3 ARG 37 2HB ARG 37 12.914 -2.422 16.147 267 HG2 ARG 37 1HG ARG 37 11.264 -1.179 17.561 268 HG3 ARG 37 2HG ARG 37 10.496 -0.580 16.083 269 HD2 ARG 37 1HD ARG 37 9.207 -2.431 16.848 270 HD3 ARG 37 2HD ARG 37 10.084 -2.971 15.407 271 HE ARG 37 HE ARG 37 11.713 -3.664 17.557 272 HH11 ARG 37 1HH1 ARG 37 8.408 -4.470 16.605 273 HH12 ARG 37 2HH1 ARG 37 8.474 -6.037 17.368 274 HH21 ARG 37 1HH2 ARG 37 11.720 -5.677 18.499 275 HH22 ARG 37 2HH2 ARG 37 10.315 -6.704 18.417 276 H ARG 38 H ARG 38 14.472 1.062 14.170 277 HA ARG 38 HA ARG 38 16.451 1.047 13.011 278 HB2 ARG 38 1HB ARG 38 17.593 -0.117 15.571 279 HB3 ARG 38 2HB ARG 38 18.464 0.775 14.318 280 HG2 ARG 38 1HG ARG 38 16.853 2.726 14.847 281 HG3 ARG 38 2HG ARG 38 16.474 1.824 16.331 282 HD2 ARG 38 1HD ARG 38 19.232 2.740 15.435 283 HD3 ARG 38 2HD ARG 38 18.259 3.475 16.723 284 HE ARG 38 HE ARG 38 18.582 0.722 17.322 285 HH11 ARG 38 1HH1 ARG 38 20.611 3.612 17.121 286 HH12 ARG 38 2HH1 ARG 38 21.753 3.000 18.286 287 HH21 ARG 38 1HH2 ARG 38 20.082 0.019 18.804 288 HH22 ARG 38 2HH2 ARG 38 21.455 1.002 19.223 289 H SER 39 H SER 39 14.908 -1.395 12.610 290 HA SER 39 HA SER 39 17.166 -3.234 11.955 291 HB2 SER 39 1HB SER 39 14.347 -3.987 12.813 292 HB3 SER 39 2HB SER 39 15.633 -5.118 12.350 293 HG SER 39 HG SER 39 15.923 -3.254 14.480 294 HA PRO 40 HA PRO 40 15.229 -2.655 7.969 295 HB2 PRO 40 1HB PRO 40 16.313 -4.738 6.546 296 HB3 PRO 40 2HB PRO 40 17.249 -3.260 6.953 297 HG2 PRO 40 1HG PRO 40 17.199 -5.917 8.379 298 HG3 PRO 40 2HG PRO 40 18.613 -4.950 7.843 299 HD2 PRO 40 1HD PRO 40 17.717 -4.867 10.388 300 HD3 PRO 40 2HD PRO 40 18.347 -3.392 9.572 301 H GLN 41 H GLN 41 13.352 -3.544 7.000 302 HA GLN 41 HA GLN 41 12.375 -6.174 7.890 303 HB2 GLN 41 1HB GLN 41 11.805 -3.689 9.294 304 HB3 GLN 41 2HB GLN 41 10.318 -4.358 8.622 305 HG2 GLN 41 1HG GLN 41 12.275 -5.877 10.374 306 HG3 GLN 41 2HG GLN 41 10.785 -5.121 10.943 307 HE21 GLN 41 1HE2 GLN 41 10.509 -8.836 9.840 308 HE22 GLN 41 2HE2 GLN 41 11.871 -8.015 10.577 309 H ARG 42 H ARG 42 9.948 -6.368 7.190 310 HA ARG 42 HA ARG 42 9.664 -5.063 4.503 311 HB2 ARG 42 1HB ARG 42 8.990 -7.812 5.518 312 HB3 ARG 42 2HB ARG 42 8.028 -7.107 4.211 313 HG2 ARG 42 1HG ARG 42 10.021 -6.821 2.843 314 HG3 ARG 42 2HG ARG 42 11.031 -7.492 4.141 315 HD2 ARG 42 1HD ARG 42 10.001 -9.658 3.945 316 HD3 ARG 42 2HD ARG 42 8.702 -9.016 2.930 317 HE ARG 42 HE ARG 42 10.080 -9.040 1.068 318 HH11 ARG 42 1HH1 ARG 42 12.027 -9.864 3.899 319 HH12 ARG 42 2HH1 ARG 42 13.378 -10.379 2.927 320 HH21 ARG 42 1HH2 ARG 42 11.841 -9.717 -0.100 321 HH22 ARG 42 2HH2 ARG 42 13.271 -10.294 0.707 322 H GLY 43 H GLY 43 7.089 -6.824 6.200 323 HA2 GLY 43 1HA GLY 43 5.263 -5.925 7.346 324 HA3 GLY 43 2HA GLY 43 5.915 -4.300 7.147 325 H ILE 44 H ILE 44 5.757 -3.378 4.818 326 HA ILE 44 HA ILE 44 2.998 -3.303 4.256 327 HB ILE 44 HB ILE 44 4.561 -1.455 3.726 328 HG12 ILE 44 1HG1 ILE 44 3.719 -0.909 1.407 329 HG13 ILE 44 2HG1 ILE 44 2.950 -2.489 1.380 330 HG21 ILE 44 1HG2 ILE 44 5.478 -3.124 1.357 331 HG22 ILE 44 2HG2 ILE 44 5.959 -1.467 1.741 332 HG23 ILE 44 3HG2 ILE 44 6.446 -2.787 2.816 333 HD11 ILE 44 1HD1 ILE 44 1.438 -0.614 1.938 334 HD12 ILE 44 2HD1 ILE 44 1.472 -1.874 3.185 335 HD13 ILE 44 3HD1 ILE 44 2.348 -0.340 3.436 336 H VAL 45 H VAL 45 5.508 -5.175 2.501 337 HA VAL 45 HA VAL 45 3.560 -6.093 0.563 338 HB VAL 45 HB VAL 45 5.932 -5.956 0.027 339 HG11 VAL 45 1HG1 VAL 45 6.398 -8.239 1.947 340 HG12 VAL 45 2HG1 VAL 45 7.594 -7.525 0.846 341 HG13 VAL 45 3HG1 VAL 45 6.935 -6.548 2.170 342 HG21 VAL 45 1HG2 VAL 45 4.961 -8.816 -0.130 343 HG22 VAL 45 2HG2 VAL 45 4.480 -7.500 -1.222 344 HG23 VAL 45 3HG2 VAL 45 6.168 -8.039 -1.186 345 H GLU 46 H GLU 46 4.669 -7.179 3.720 346 HA GLU 46 HA GLU 46 3.637 -9.818 3.323 347 HB2 GLU 46 1HB GLU 46 4.449 -8.299 5.809 348 HB3 GLU 46 2HB GLU 46 3.980 -10.009 5.824 349 HG2 GLU 46 1HG GLU 46 5.839 -10.629 4.440 350 HG3 GLU 46 2HG GLU 46 6.195 -8.948 4.037 351 H GLU 47 H GLU 47 2.327 -6.801 4.632 352 HA GLU 47 HA GLU 47 -0.120 -8.149 5.520 353 HB2 GLU 47 1HB GLU 47 -0.801 -6.007 6.313 354 HB3 GLU 47 2HB GLU 47 0.923 -6.194 6.673 355 HG2 GLU 47 1HG GLU 47 1.315 -4.910 4.483 356 HG3 GLU 47 2HG GLU 47 -0.391 -4.484 4.566 357 H CYS 48 H CYS 48 0.969 -6.652 2.525 358 HA CYS 48 HA CYS 48 -1.872 -6.481 1.634 359 HB2 CYS 48 1HB CYS 48 0.615 -5.136 0.563 360 HB3 CYS 48 2HB CYS 48 -0.978 -5.044 -0.187 361 H CYS 49 H CYS 49 0.933 -8.419 1.120 362 HA CYS 49 HA CYS 49 -0.231 -9.412 -1.448 363 HB2 CYS 49 1HB CYS 49 2.087 -8.573 -1.594 364 HB3 CYS 49 2HB CYS 49 2.577 -9.747 -0.381 365 H PHE 50 H PHE 50 1.415 -10.554 1.537 366 HA PHE 50 HA PHE 50 0.621 -13.314 1.003 367 HB2 PHE 50 1HB PHE 50 1.920 -11.938 3.380 368 HB3 PHE 50 2HB PHE 50 1.540 -13.660 3.345 369 HD1 PHE 50 1HD PHE 50 3.573 -11.007 1.635 370 HD2 PHE 50 2HD PHE 50 2.938 -15.222 2.246 371 HE1 PHE 50 1HE PHE 50 5.720 -11.493 0.473 372 HE2 PHE 50 2HE PHE 50 5.086 -15.720 1.095 373 HZ PHE 50 HZ PHE 50 6.483 -13.853 0.198 374 H ARG 51 H ARG 51 -0.728 -10.530 2.439 375 HA ARG 51 HA ARG 51 -3.218 -12.034 3.040 376 HB2 ARG 51 1HB ARG 51 -1.772 -10.196 4.993 377 HB3 ARG 51 2HB ARG 51 -3.513 -10.480 5.070 378 HG2 ARG 51 1HG ARG 51 -3.121 -12.905 5.325 379 HG3 ARG 51 2HG ARG 51 -1.371 -12.611 5.334 380 HD2 ARG 51 1HD ARG 51 -3.313 -11.347 7.284 381 HD3 ARG 51 2HD ARG 51 -2.419 -12.853 7.599 382 HE ARG 51 HE ARG 51 -0.573 -10.860 6.788 383 HH11 ARG 51 1HH1 ARG 51 -2.634 -11.572 9.559 384 HH12 ARG 51 2HH1 ARG 51 -1.577 -10.762 10.681 385 HH21 ARG 51 1HH2 ARG 51 0.729 -9.841 8.268 386 HH22 ARG 51 2HH2 ARG 51 0.293 -9.788 9.954 387 H SER 52 H SER 52 -4.984 -10.193 3.259 388 HA SER 52 HA SER 52 -4.405 -8.203 1.142 389 HB2 SER 52 1HB SER 52 -6.894 -7.780 1.394 390 HB3 SER 52 2HB SER 52 -6.460 -9.423 0.868 391 HG SER 52 HG SER 52 -7.985 -8.885 2.845 392 H CYS 53 H CYS 53 -5.007 -5.936 1.513 393 HA CYS 53 HA CYS 53 -5.180 -5.117 4.355 394 HB2 CYS 53 1HB CYS 53 -3.451 -3.439 4.066 395 HB3 CYS 53 2HB CYS 53 -2.781 -5.024 3.704 396 H ASP 54 H ASP 54 -5.873 -2.895 4.577 397 HA ASP 54 HA ASP 54 -7.678 -2.039 2.369 398 HB2 ASP 54 1HB ASP 54 -7.402 -1.286 5.303 399 HB3 ASP 54 2HB ASP 54 -8.428 -0.388 4.172 400 H LEU 55 H LEU 55 -7.589 0.182 1.650 401 HA LEU 55 HA LEU 55 -4.976 1.255 1.271 402 HB2 LEU 55 1HB LEU 55 -6.074 3.214 0.399 403 HB3 LEU 55 2HB LEU 55 -6.863 1.757 -0.189 404 HG LEU 55 HG LEU 55 -8.434 2.404 1.990 405 HD11 LEU 55 1HD1 LEU 55 -7.237 4.556 2.282 406 HD12 LEU 55 2HD1 LEU 55 -8.930 4.797 1.814 407 HD13 LEU 55 3HD1 LEU 55 -7.639 5.000 0.608 408 HD21 LEU 55 1HD2 LEU 55 -9.210 1.719 -0.242 409 HD22 LEU 55 2HD2 LEU 55 -8.753 3.310 -0.896 410 HD23 LEU 55 3HD2 LEU 55 -10.057 3.178 0.308 411 H ALA 56 H ALA 56 -7.328 1.720 3.855 412 HA ALA 56 HA ALA 56 -6.109 4.043 5.012 413 HB1 ALA 56 1HB ALA 56 -7.800 1.837 6.285 414 HB2 ALA 56 2HB ALA 56 -7.419 3.410 7.029 415 HB3 ALA 56 3HB ALA 56 -8.409 3.345 5.555 416 H LEU 57 H LEU 57 -5.727 0.528 5.635 417 HA LEU 57 HA LEU 57 -3.818 0.866 7.772 418 HB2 LEU 57 1HB LEU 57 -5.182 -1.180 7.385 419 HB3 LEU 57 2HB LEU 57 -4.286 -1.488 5.900 420 HG LEU 57 HG LEU 57 -2.568 -1.121 8.276 421 HD11 LEU 57 1HD1 LEU 57 -3.088 -3.338 9.231 422 HD12 LEU 57 2HD1 LEU 57 -4.454 -3.509 8.104 423 HD13 LEU 57 3HD1 LEU 57 -4.473 -2.232 9.347 424 HD21 LEU 57 1HD2 LEU 57 -1.705 -1.907 6.110 425 HD22 LEU 57 2HD2 LEU 57 -2.775 -3.331 6.194 426 HD23 LEU 57 3HD2 LEU 57 -1.475 -3.119 7.381 427 H LEU 58 H LEU 58 -3.625 0.339 4.279 428 HA LEU 58 HA LEU 58 -0.833 -0.011 4.025 429 HB2 LEU 58 1HB LEU 58 -2.755 -0.328 2.390 430 HB3 LEU 58 2HB LEU 58 -2.752 1.402 2.146 431 HG LEU 58 HG LEU 58 -0.567 -0.529 1.341 432 HD11 LEU 58 1HD1 LEU 58 -2.589 1.107 -0.169 433 HD12 LEU 58 2HD1 LEU 58 -2.659 -0.657 0.105 434 HD13 LEU 58 3HD1 LEU 58 -1.347 0.035 -0.878 435 HD21 LEU 58 1HD2 LEU 58 0.532 1.550 1.733 436 HD22 LEU 58 2HD2 LEU 58 -0.797 2.462 0.997 437 HD23 LEU 58 3HD2 LEU 58 0.241 1.437 -0.007 438 H GLU 59 H GLU 59 -2.864 2.926 4.052 439 HA GLU 59 HA GLU 59 -0.919 4.794 3.318 440 HB2 GLU 59 1HB GLU 59 -3.375 5.170 3.531 441 HB3 GLU 59 2HB GLU 59 -3.211 5.205 5.280 442 HG2 GLU 59 1HG GLU 59 -1.626 7.117 3.552 443 HG3 GLU 59 2HG GLU 59 -3.328 7.439 3.913 444 H THR 60 H THR 60 -1.261 3.166 6.437 445 HA THR 60 HA THR 60 0.036 5.152 8.010 446 HB THR 60 HB THR 60 0.400 3.415 9.672 447 HG1 THR 60 1HG THR 60 -0.517 1.516 7.749 448 HG21 THR 60 1HG2 THR 60 -2.234 2.898 8.202 449 HG22 THR 60 2HG2 THR 60 -1.941 4.276 9.280 450 HG23 THR 60 3HG2 THR 60 -1.895 2.619 9.924 451 H TYR 61 H TYR 61 1.359 3.100 5.591 452 HA TYR 61 HA TYR 61 4.093 3.162 6.699 453 HB2 TYR 61 1HB TYR 61 2.797 2.037 4.217 454 HB3 TYR 61 2HB TYR 61 4.549 2.142 4.364 455 HD1 TYR 61 1HD TYR 61 1.579 0.846 6.363 456 HD2 TYR 61 2HD TYR 61 5.723 0.366 5.279 457 HE1 TYR 61 1HE TYR 61 1.689 -1.254 7.690 458 HE2 TYR 61 2HE TYR 61 5.802 -1.758 6.562 459 HH TYR 61 HH TYR 61 2.922 -3.126 8.164 460 H CYS 62 H CYS 62 2.193 5.440 5.274 461 HA CYS 62 HA CYS 62 3.860 6.534 3.240 462 HB2 CYS 62 1HB CYS 62 1.403 7.012 3.932 463 HB3 CYS 62 2HB CYS 62 2.100 8.215 5.018 464 H ALA 63 H ALA 63 4.994 8.602 3.245 465 HA ALA 63 HA ALA 63 6.769 8.795 5.581 466 HB1 ALA 63 1HB ALA 63 7.994 10.417 4.166 467 HB2 ALA 63 2HB ALA 63 7.697 8.894 3.299 468 HB3 ALA 63 3HB ALA 63 6.698 10.327 2.948 469 H THR 64 H THR 64 3.911 10.345 4.402 470 HA THR 64 HA THR 64 4.334 12.594 6.323 471 HB THR 64 HB THR 64 2.776 13.885 4.720 472 HG1 THR 64 1HG THR 64 2.094 12.125 3.455 473 HG21 THR 64 1HG2 THR 64 4.602 14.545 3.283 474 HG22 THR 64 2HG2 THR 64 5.481 13.038 3.624 475 HG23 THR 64 3HG2 THR 64 5.242 14.245 4.913 476 HA PRO 65 HA PRO 65 0.495 11.358 8.071 477 HB2 PRO 65 1HB PRO 65 -0.325 13.585 9.363 478 HB3 PRO 65 2HB PRO 65 1.222 12.790 9.794 479 HG2 PRO 65 1HG PRO 65 0.742 15.137 7.967 480 HG3 PRO 65 2HG PRO 65 1.866 15.004 9.355 481 HD2 PRO 65 1HD PRO 65 2.662 14.604 6.787 482 HD3 PRO 65 2HD PRO 65 3.384 13.697 8.161 483 H ALA 66 H ALA 66 -1.870 12.160 8.382 484 HA ALA 66 HA ALA 66 -3.115 12.595 5.842 485 HB1 ALA 66 1HB ALA 66 -4.225 12.951 8.669 486 HB2 ALA 66 2HB ALA 66 -5.190 12.838 7.179 487 HB3 ALA 66 3HB ALA 66 -4.243 11.438 7.729 488 H LYS 67 H LYS 67 -4.208 14.433 5.064 489 HA LYS 67 HA LYS 67 -3.289 17.041 6.225 490 HB2 LYS 67 1HB LYS 67 -2.223 16.173 4.045 491 HB3 LYS 67 2HB LYS 67 -3.785 16.496 3.290 492 HG2 LYS 67 1HG LYS 67 -3.570 18.889 4.116 493 HG3 LYS 67 2HG LYS 67 -1.921 18.487 4.634 494 HD2 LYS 67 1HD LYS 67 -1.356 17.868 2.318 495 HD3 LYS 67 2HD LYS 67 -3.019 18.249 1.818 496 HE2 LYS 67 1HE LYS 67 -2.707 20.576 2.652 497 HE3 LYS 67 2HE LYS 67 -1.013 20.183 3.016 498 HZ1 LYS 67 1HZ LYS 67 -2.262 20.047 0.332 499 HZ2 LYS 67 2HZ LYS 67 -0.685 19.700 0.672 500 HZ3 LYS 67 3HZ LYS 67 -1.250 21.238 0.858 501 H SER 68 H SER 68 -5.623 16.002 7.152 502 HA SER 68 HA SER 68 -7.888 16.781 5.503 503 HB2 SER 68 1HB SER 68 -7.810 16.021 8.442 504 HB3 SER 68 2HB SER 68 -9.228 15.998 7.363 505 HG SER 68 HG SER 68 -8.380 13.927 7.495 506 H GLU 69 H GLU 69 -6.659 19.037 5.476 507 HA GLU 69 HA GLU 69 -7.515 20.817 7.690 508 HB2 GLU 69 1HB GLU 69 -5.971 21.381 5.103 509 HB3 GLU 69 2HB GLU 69 -6.300 22.576 6.356 510 HG2 GLU 69 1HG GLU 69 -5.002 21.259 8.009 511 HG3 GLU 69 2HG GLU 69 -4.726 19.979 6.821 Start of MODEL 17 1 HA ALA 1 HA ALA 1 -7.527 -16.951 -9.845 2 HB1 ALA 1 1HB ALA 1 -9.238 -18.750 -9.744 3 HB2 ALA 1 2HB ALA 1 -9.421 -18.488 -7.996 4 HB3 ALA 1 3HB ALA 1 -9.887 -17.217 -9.140 5 H TYR 2 H TYR 2 -6.788 -15.122 -9.218 6 HA TYR 2 HA TYR 2 -6.880 -14.337 -6.371 7 HB2 TYR 2 1HB TYR 2 -5.670 -13.030 -8.832 8 HB3 TYR 2 2HB TYR 2 -5.598 -12.354 -7.202 9 HD1 TYR 2 1HD TYR 2 -4.223 -13.430 -5.432 10 HD2 TYR 2 2HD TYR 2 -4.273 -14.956 -9.461 11 HE1 TYR 2 1HE TYR 2 -2.194 -14.798 -4.948 12 HE2 TYR 2 2HE TYR 2 -2.250 -16.324 -8.958 13 HH TYR 2 HH TYR 2 -0.674 -16.302 -5.761 14 H ARG 3 H ARG 3 -7.668 -12.164 -5.819 15 HA ARG 3 HA ARG 3 -10.190 -11.570 -7.251 16 HB2 ARG 3 1HB ARG 3 -8.999 -10.513 -4.651 17 HB3 ARG 3 2HB ARG 3 -10.529 -9.962 -5.343 18 HG2 ARG 3 1HG ARG 3 -11.412 -11.509 -3.944 19 HG3 ARG 3 2HG ARG 3 -11.022 -12.626 -5.265 20 HD2 ARG 3 1HD ARG 3 -8.844 -13.129 -4.155 21 HD3 ARG 3 2HD ARG 3 -9.289 -12.040 -2.825 22 HE ARG 3 HE ARG 3 -11.362 -13.951 -3.157 23 HH11 ARG 3 1HH1 ARG 3 -7.998 -13.890 -2.078 24 HH12 ARG 3 2HH1 ARG 3 -8.210 -15.274 -1.043 25 HH21 ARG 3 1HH2 ARG 3 -11.551 -15.712 -1.812 26 HH22 ARG 3 2HH2 ARG 3 -10.186 -16.280 -0.894 27 HA PRO 4 HA PRO 4 -8.252 -8.619 -9.751 28 HB2 PRO 4 1HB PRO 4 -10.470 -6.690 -9.060 29 HB3 PRO 4 2HB PRO 4 -9.861 -7.195 -10.668 30 HG2 PRO 4 1HG PRO 4 -12.122 -8.175 -9.748 31 HG3 PRO 4 2HG PRO 4 -10.934 -9.235 -10.570 32 HD2 PRO 4 1HD PRO 4 -11.510 -8.960 -7.629 33 HD3 PRO 4 2HD PRO 4 -11.191 -10.428 -8.615 34 H SER 5 H SER 5 -9.245 -7.155 -6.610 35 HA SER 5 HA SER 5 -6.753 -5.552 -6.717 36 HB2 SER 5 1HB SER 5 -9.463 -4.274 -6.218 37 HB3 SER 5 2HB SER 5 -7.886 -3.461 -6.318 38 HG SER 5 HG SER 5 -7.880 -4.562 -8.533 39 H GLU 6 H GLU 6 -6.785 -7.560 -5.016 40 HA GLU 6 HA GLU 6 -7.443 -6.283 -2.380 41 HB2 GLU 6 1HB GLU 6 -7.501 -9.230 -3.102 42 HB3 GLU 6 2HB GLU 6 -7.765 -8.555 -1.494 43 HG2 GLU 6 1HG GLU 6 -9.489 -8.079 -3.931 44 HG3 GLU 6 2HG GLU 6 -9.879 -9.129 -2.561 45 H THR 7 H THR 7 -5.135 -8.119 -4.292 46 HA THR 7 HA THR 7 -3.157 -7.841 -2.072 47 HB THR 7 HB THR 7 -2.055 -9.891 -3.151 48 HG1 THR 7 1HG THR 7 -3.276 -9.855 -5.090 49 HG21 THR 7 1HG2 THR 7 -3.516 -11.499 -2.017 50 HG22 THR 7 2HG2 THR 7 -4.819 -10.292 -1.938 51 HG23 THR 7 3HG2 THR 7 -3.310 -10.041 -1.025 52 H LEU 8 H LEU 8 -1.112 -7.223 -2.642 53 HA LEU 8 HA LEU 8 -0.657 -6.374 -5.480 54 HB2 LEU 8 1HB LEU 8 -0.284 -4.807 -2.912 55 HB3 LEU 8 2HB LEU 8 0.430 -4.337 -4.446 56 HG LEU 8 HG LEU 8 -2.542 -4.599 -4.059 57 HD11 LEU 8 1HD1 LEU 8 -0.770 -2.168 -3.743 58 HD12 LEU 8 2HD1 LEU 8 -1.683 -2.988 -2.451 59 HD13 LEU 8 3HD1 LEU 8 -2.549 -2.163 -3.763 60 HD21 LEU 8 1HD2 LEU 8 -2.602 -3.141 -6.042 61 HD22 LEU 8 2HD2 LEU 8 -1.733 -4.653 -6.381 62 HD23 LEU 8 3HD2 LEU 8 -0.826 -3.144 -6.093 63 H CYS 9 H CYS 9 1.327 -6.941 -6.189 64 HA CYS 9 HA CYS 9 3.584 -7.150 -4.321 65 HB2 CYS 9 1HB CYS 9 1.992 -9.382 -4.547 66 HB3 CYS 9 2HB CYS 9 3.161 -9.669 -5.837 67 H GLY 10 H GLY 10 5.500 -8.244 -5.694 68 HA2 GLY 10 1HA GLY 10 6.824 -8.203 -7.576 69 HA3 GLY 10 2HA GLY 10 5.322 -8.385 -8.481 70 H GLY 11 H GLY 11 6.122 -5.501 -6.559 71 HA2 GLY 11 1HA GLY 11 6.951 -3.446 -7.386 72 HA3 GLY 11 2HA GLY 11 6.807 -4.051 -9.039 73 H GLU 12 H GLU 12 3.949 -4.973 -8.505 74 HA GLU 12 HA GLU 12 2.580 -2.564 -9.273 75 HB2 GLU 12 1HB GLU 12 1.820 -4.941 -9.671 76 HB3 GLU 12 2HB GLU 12 1.451 -5.054 -7.945 77 HG2 GLU 12 1HG GLU 12 -0.148 -3.162 -8.206 78 HG3 GLU 12 2HG GLU 12 0.156 -3.191 -9.949 79 H LEU 13 H LEU 13 3.362 -4.062 -6.203 80 HA LEU 13 HA LEU 13 1.613 -2.557 -4.526 81 HB2 LEU 13 1HB LEU 13 2.863 -4.546 -3.790 82 HB3 LEU 13 2HB LEU 13 4.392 -3.705 -4.025 83 HG LEU 13 HG LEU 13 3.947 -2.216 -2.184 84 HD11 LEU 13 1HD1 LEU 13 1.519 -1.935 -2.396 85 HD12 LEU 13 2HD1 LEU 13 1.954 -2.446 -0.763 86 HD13 LEU 13 3HD1 LEU 13 1.274 -3.626 -1.901 87 HD21 LEU 13 1HD2 LEU 13 3.867 -3.870 -0.350 88 HD22 LEU 13 2HD2 LEU 13 4.954 -4.360 -1.666 89 HD23 LEU 13 3HD2 LEU 13 3.345 -5.114 -1.512 90 H VAL 14 H VAL 14 4.859 -1.871 -5.879 91 HA VAL 14 HA VAL 14 5.278 0.529 -4.337 92 HB VAL 14 HB VAL 14 6.571 -0.368 -6.958 93 HG11 VAL 14 1HG1 VAL 14 7.415 1.736 -4.922 94 HG12 VAL 14 2HG1 VAL 14 8.424 1.162 -6.271 95 HG13 VAL 14 3HG1 VAL 14 6.912 2.027 -6.606 96 HG21 VAL 14 1HG2 VAL 14 6.930 -2.026 -5.169 97 HG22 VAL 14 2HG2 VAL 14 8.433 -1.151 -5.500 98 HG23 VAL 14 3HG2 VAL 14 7.470 -0.743 -4.061 99 H ASP 15 H ASP 15 3.983 -0.218 -7.574 100 HA ASP 15 HA ASP 15 3.614 2.448 -8.501 101 HB2 ASP 15 1HB ASP 15 3.332 0.424 -9.895 102 HB3 ASP 15 2HB ASP 15 1.929 -0.048 -8.932 103 H THR 16 H THR 16 1.512 0.321 -6.529 104 HA THR 16 HA THR 16 -0.604 2.220 -6.246 105 HB THR 16 HB THR 16 0.202 0.103 -4.201 106 HG1 THR 16 1HG THR 16 -0.056 -0.643 -6.454 107 HG21 THR 16 1HG2 THR 16 -1.518 1.668 -3.454 108 HG22 THR 16 2HG2 THR 16 -2.227 0.078 -3.790 109 HG23 THR 16 3HG2 THR 16 -2.443 1.401 -4.955 110 H LEU 17 H LEU 17 2.326 1.619 -4.284 111 HA LEU 17 HA LEU 17 1.629 3.401 -2.144 112 HB2 LEU 17 1HB LEU 17 4.199 2.268 -3.225 113 HB3 LEU 17 2HB LEU 17 4.220 3.478 -1.952 114 HG LEU 17 HG LEU 17 2.467 1.089 -1.546 115 HD11 LEU 17 1HD1 LEU 17 4.490 0.108 -2.387 116 HD12 LEU 17 2HD1 LEU 17 4.334 -0.185 -0.659 117 HD13 LEU 17 3HD1 LEU 17 5.472 1.051 -1.242 118 HD21 LEU 17 1HD2 LEU 17 4.319 2.634 0.318 119 HD22 LEU 17 2HD2 LEU 17 3.093 1.434 0.778 120 HD23 LEU 17 3HD2 LEU 17 2.592 2.988 0.083 121 H GLN 18 H GLN 18 3.286 3.856 -5.276 122 HA GLN 18 HA GLN 18 3.970 6.625 -4.819 123 HB2 GLN 18 1HB GLN 18 3.573 4.978 -7.343 124 HB3 GLN 18 2HB GLN 18 4.126 6.657 -7.358 125 HG2 GLN 18 1HG GLN 18 6.133 6.102 -6.173 126 HG3 GLN 18 2HG GLN 18 5.562 4.471 -5.827 127 HE21 GLN 18 1HE2 GLN 18 7.906 4.866 -8.873 128 HE22 GLN 18 2HE2 GLN 18 7.852 5.852 -7.433 129 H PHE 19 H PHE 19 1.147 4.958 -6.277 130 HA PHE 19 HA PHE 19 -0.190 7.331 -7.122 131 HB2 PHE 19 1HB PHE 19 -0.754 5.075 -7.901 132 HB3 PHE 19 2HB PHE 19 -1.292 4.628 -6.280 133 HD1 PHE 19 1HD PHE 19 -3.472 5.193 -5.474 134 HD2 PHE 19 2HD PHE 19 -2.057 6.788 -9.210 135 HE1 PHE 19 1HE PHE 19 -5.768 6.013 -5.984 136 HE2 PHE 19 2HE PHE 19 -4.347 7.625 -9.728 137 HZ PHE 19 HZ PHE 19 -6.209 7.242 -8.111 138 H VAL 20 H VAL 20 -0.627 5.434 -4.067 139 HA VAL 20 HA VAL 20 -2.726 7.159 -3.150 140 HB VAL 20 HB VAL 20 -2.364 4.766 -2.404 141 HG11 VAL 20 1HG1 VAL 20 0.088 4.953 -2.011 142 HG12 VAL 20 2HG1 VAL 20 -0.248 5.914 -0.556 143 HG13 VAL 20 3HG1 VAL 20 -0.805 4.236 -0.669 144 HG21 VAL 20 1HG2 VAL 20 -3.876 6.294 -1.182 145 HG22 VAL 20 2HG2 VAL 20 -3.122 5.089 -0.112 146 HG23 VAL 20 3HG2 VAL 20 -2.527 6.767 -0.124 147 H CYS 21 H CYS 21 0.761 7.436 -2.914 148 HA CYS 21 HA CYS 21 0.480 9.574 -0.864 149 HB2 CYS 21 1HB CYS 21 2.865 8.050 -1.935 150 HB3 CYS 21 2HB CYS 21 2.988 9.395 -0.793 151 H GLY 22 H GLY 22 1.822 9.173 -4.200 152 HA2 GLY 22 1HA GLY 22 2.378 10.769 -5.711 153 HA3 GLY 22 2HA GLY 22 1.633 11.996 -4.658 154 H ASP 23 H ASP 23 3.228 13.333 -4.938 155 HA ASP 23 HA ASP 23 5.987 12.980 -4.798 156 HB2 ASP 23 1HB ASP 23 4.439 15.433 -3.907 157 HB3 ASP 23 2HB ASP 23 6.105 15.394 -4.508 158 H ARG 24 H ARG 24 3.836 12.991 -2.045 159 HA ARG 24 HA ARG 24 5.802 14.062 -0.203 160 HB2 ARG 24 1HB ARG 24 4.242 13.747 1.485 161 HB3 ARG 24 2HB ARG 24 3.255 14.057 0.055 162 HG2 ARG 24 1HG ARG 24 3.063 11.486 -0.135 163 HG3 ARG 24 2HG ARG 24 3.728 11.448 1.508 164 HD2 ARG 24 1HD ARG 24 1.436 11.470 1.905 165 HD3 ARG 24 2HD ARG 24 1.860 13.187 2.039 166 HE ARG 24 HE ARG 24 1.150 12.468 -0.667 167 HH11 ARG 24 1HH1 ARG 24 -0.341 13.190 2.454 168 HH12 ARG 24 2HH1 ARG 24 -1.835 13.709 1.716 169 HH21 ARG 24 1HH2 ARG 24 -0.749 13.111 -1.524 170 HH22 ARG 24 2HH2 ARG 24 -2.065 13.655 -0.517 171 H GLY 25 H GLY 25 5.473 10.981 -1.662 172 HA2 GLY 25 1HA GLY 25 6.985 9.236 -1.458 173 HA3 GLY 25 2HA GLY 25 7.731 10.041 -0.078 174 H PHE 26 H PHE 26 7.657 7.459 0.122 175 HA PHE 26 HA PHE 26 5.749 6.862 2.273 176 HB2 PHE 26 1HB PHE 26 4.971 4.787 1.146 177 HB3 PHE 26 2HB PHE 26 4.441 6.235 0.293 178 HD1 PHE 26 1HD PHE 26 5.233 6.789 -1.914 179 HD2 PHE 26 2HD PHE 26 6.762 3.342 0.156 180 HE1 PHE 26 1HE PHE 26 6.276 6.002 -4.003 181 HE2 PHE 26 2HE PHE 26 7.794 2.529 -1.957 182 HZ PHE 26 HZ PHE 26 7.550 3.868 -4.042 183 H TYR 27 H TYR 27 6.272 4.582 3.100 184 HA TYR 27 HA TYR 27 9.087 3.803 2.462 185 HB2 TYR 27 1HB TYR 27 7.891 4.183 5.231 186 HB3 TYR 27 2HB TYR 27 9.478 3.475 4.893 187 HD1 TYR 27 1HD TYR 27 11.369 4.880 4.187 188 HD2 TYR 27 2HD TYR 27 7.497 6.623 4.912 189 HE1 TYR 27 1HE TYR 27 12.381 7.161 4.152 190 HE2 TYR 27 2HE TYR 27 8.525 8.895 4.857 191 HH TYR 27 HH TYR 27 10.425 10.117 4.541 192 H PHE 28 H PHE 28 9.548 1.550 3.046 193 HA PHE 28 HA PHE 28 7.193 -0.120 2.512 194 HB2 PHE 28 1HB PHE 28 9.983 -0.252 2.008 195 HB3 PHE 28 2HB PHE 28 9.605 -1.617 3.066 196 HD1 PHE 28 1HD PHE 28 7.899 0.066 0.115 197 HD2 PHE 28 2HD PHE 28 9.240 -3.609 1.921 198 HE1 PHE 28 1HE PHE 28 7.053 -1.200 -1.843 199 HE2 PHE 28 2HE PHE 28 8.393 -4.883 -0.045 200 HZ PHE 28 HZ PHE 28 7.305 -3.672 -1.938 201 H SER 29 H SER 29 8.832 1.023 5.234 202 HA SER 29 HA SER 29 7.415 -0.909 7.007 203 HB2 SER 29 1HB SER 29 9.377 -0.695 8.569 204 HB3 SER 29 2HB SER 29 9.775 -1.555 7.068 205 HG SER 29 HG SER 29 10.261 1.217 7.536 206 H ARG 30 H ARG 30 6.751 0.239 9.006 207 HA ARG 30 HA ARG 30 5.762 2.776 8.420 208 HB2 ARG 30 1HB ARG 30 6.163 1.583 11.154 209 HB3 ARG 30 2HB ARG 30 5.130 2.962 10.792 210 HG2 ARG 30 1HG ARG 30 4.769 0.223 9.582 211 HG3 ARG 30 2HG ARG 30 3.993 0.755 11.078 212 HD2 ARG 30 1HD ARG 30 3.563 2.789 9.081 213 HD3 ARG 30 2HD ARG 30 3.141 1.223 8.386 214 HE ARG 30 HE ARG 30 1.441 0.937 9.992 215 HH11 ARG 30 1HH1 ARG 30 3.050 4.051 10.424 216 HH12 ARG 30 2HH1 ARG 30 1.831 4.629 11.525 217 HH21 ARG 30 1HH2 ARG 30 -0.083 1.754 11.377 218 HH22 ARG 30 2HH2 ARG 30 0.083 3.355 12.040 219 HA PRO 31 HA PRO 31 8.802 5.057 11.092 220 HB2 PRO 31 1HB PRO 31 11.290 4.005 11.588 221 HB3 PRO 31 2HB PRO 31 9.867 3.773 12.646 222 HG2 PRO 31 1HG PRO 31 10.974 1.914 10.531 223 HG3 PRO 31 2HG PRO 31 10.441 1.524 12.195 224 HD2 PRO 31 1HD PRO 31 8.897 1.119 10.025 225 HD3 PRO 31 2HD PRO 31 8.224 1.576 11.616 226 H ALA 32 H ALA 32 9.505 6.640 9.954 227 HA ALA 32 HA ALA 32 10.762 6.260 7.349 228 HB1 ALA 32 1HB ALA 32 9.093 8.028 7.700 229 HB2 ALA 32 2HB ALA 32 10.106 8.771 8.964 230 HB3 ALA 32 3HB ALA 32 10.662 8.750 7.275 231 H SER 33 H SER 33 11.713 7.318 10.569 232 HA SER 33 HA SER 33 13.702 7.909 11.533 233 HB2 SER 33 1HB SER 33 14.264 5.563 10.645 234 HB3 SER 33 2HB SER 33 15.104 6.381 9.312 235 HG SER 33 HG SER 33 15.713 6.314 12.063 236 H ARG 34 H ARG 34 16.257 8.432 10.246 237 HA ARG 34 HA ARG 34 15.593 10.669 8.371 238 HB2 ARG 34 1HB ARG 34 17.365 10.775 10.836 239 HB3 ARG 34 2HB ARG 34 17.500 11.923 9.504 240 HG2 ARG 34 1HG ARG 34 15.042 12.439 9.811 241 HG3 ARG 34 2HG ARG 34 15.127 11.529 11.334 242 HD2 ARG 34 1HD ARG 34 16.878 13.039 12.157 243 HD3 ARG 34 2HD ARG 34 16.897 13.892 10.598 244 HE ARG 34 HE ARG 34 14.250 13.918 11.674 245 HH11 ARG 34 1HH1 ARG 34 17.390 15.455 12.180 246 HH12 ARG 34 2HH1 ARG 34 16.679 16.894 12.860 247 HH21 ARG 34 1HH2 ARG 34 13.417 15.789 12.548 248 HH22 ARG 34 2HH2 ARG 34 14.472 17.075 13.062 249 H VAL 35 H VAL 35 16.774 7.789 8.381 250 HA VAL 35 HA VAL 35 19.082 8.504 6.650 251 HB VAL 35 HB VAL 35 20.185 6.323 7.485 252 HG11 VAL 35 1HG1 VAL 35 21.053 8.582 7.977 253 HG12 VAL 35 2HG1 VAL 35 19.986 8.691 9.395 254 HG13 VAL 35 3HG1 VAL 35 21.297 7.487 9.355 255 HG21 VAL 35 1HG2 VAL 35 18.209 5.457 8.799 256 HG22 VAL 35 2HG2 VAL 35 19.680 5.601 9.781 257 HG23 VAL 35 3HG2 VAL 35 18.396 6.816 9.929 258 H SER 36 H SER 36 18.656 7.869 4.665 259 HA SER 36 HA SER 36 16.546 5.926 4.153 260 HB2 SER 36 1HB SER 36 16.935 7.872 2.663 261 HB3 SER 36 2HB SER 36 18.537 7.220 2.245 262 HG SER 36 HG SER 36 16.733 6.700 0.779 263 H ARG 37 H ARG 37 16.978 3.869 4.668 264 HA ARG 37 HA ARG 37 19.702 2.797 4.127 265 HB2 ARG 37 1HB ARG 37 17.331 1.656 5.661 266 HB3 ARG 37 2HB ARG 37 18.871 0.816 5.414 267 HG2 ARG 37 1HG ARG 37 20.051 2.660 6.593 268 HG3 ARG 37 2HG ARG 37 18.490 3.442 6.903 269 HD2 ARG 37 1HD ARG 37 17.742 1.465 8.169 270 HD3 ARG 37 2HD ARG 37 19.291 0.667 7.857 271 HE ARG 37 HE ARG 37 18.762 2.898 9.713 272 HH11 ARG 37 1HH1 ARG 37 21.236 0.861 8.218 273 HH12 ARG 37 2HH1 ARG 37 22.435 1.291 9.406 274 HH21 ARG 37 1HH2 ARG 37 20.350 3.388 11.191 275 HH22 ARG 37 2HH2 ARG 37 21.941 2.694 11.051 276 H ARG 38 H ARG 38 20.082 1.460 2.489 277 HA ARG 38 HA ARG 38 18.046 1.095 0.469 278 HB2 ARG 38 1HB ARG 38 19.814 0.122 -0.849 279 HB3 ARG 38 2HB ARG 38 20.437 1.541 -0.004 280 HG2 ARG 38 1HG ARG 38 21.481 0.014 1.703 281 HG3 ARG 38 2HG ARG 38 20.917 -1.371 0.751 282 HD2 ARG 38 1HD ARG 38 23.167 -1.063 0.118 283 HD3 ARG 38 2HD ARG 38 22.224 -0.394 -1.220 284 HE ARG 38 HE ARG 38 23.807 1.113 0.803 285 HH11 ARG 38 1HH1 ARG 38 21.925 1.234 -2.192 286 HH12 ARG 38 2HH1 ARG 38 22.470 2.847 -2.566 287 HH21 ARG 38 1HH2 ARG 38 24.453 3.157 0.246 288 HH22 ARG 38 2HH2 ARG 38 23.869 3.908 -1.213 289 H SER 39 H SER 39 17.957 -0.445 3.188 290 HA SER 39 HA SER 39 17.003 -2.971 1.981 291 HB2 SER 39 1HB SER 39 19.310 -3.445 2.755 292 HB3 SER 39 2HB SER 39 18.888 -2.844 4.371 293 HG SER 39 HG SER 39 17.355 -4.513 4.526 294 HA PRO 40 HA PRO 40 14.239 -1.047 5.070 295 HB2 PRO 40 1HB PRO 40 11.844 -1.608 3.922 296 HB3 PRO 40 2HB PRO 40 12.886 -0.281 3.312 297 HG2 PRO 40 1HG PRO 40 12.645 -3.109 2.304 298 HG3 PRO 40 2HG PRO 40 12.522 -1.574 1.385 299 HD2 PRO 40 1HD PRO 40 14.831 -2.994 1.496 300 HD3 PRO 40 2HD PRO 40 14.835 -1.196 1.484 301 H GLN 41 H GLN 41 12.595 -1.981 6.517 302 HA GLN 41 HA GLN 41 13.053 -4.852 6.986 303 HB2 GLN 41 1HB GLN 41 11.407 -2.755 8.448 304 HB3 GLN 41 2HB GLN 41 11.585 -4.431 8.974 305 HG2 GLN 41 1HG GLN 41 14.029 -4.104 9.175 306 HG3 GLN 41 2HG GLN 41 13.828 -2.405 8.714 307 HE21 GLN 41 1HE2 GLN 41 13.427 -3.465 12.527 308 HE22 GLN 41 2HE2 GLN 41 14.154 -4.459 11.290 309 H ARG 42 H ARG 42 10.925 -6.070 7.651 310 HA ARG 42 HA ARG 42 9.199 -6.195 5.326 311 HB2 ARG 42 1HB ARG 42 8.815 -7.376 8.109 312 HB3 ARG 42 2HB ARG 42 7.919 -7.814 6.656 313 HG2 ARG 42 1HG ARG 42 10.123 -8.593 5.651 314 HG3 ARG 42 2HG ARG 42 10.820 -8.405 7.281 315 HD2 ARG 42 1HD ARG 42 8.940 -9.843 8.153 316 HD3 ARG 42 2HD ARG 42 8.447 -10.118 6.478 317 HE ARG 42 HE ARG 42 11.185 -10.856 6.804 318 HH11 ARG 42 1HH1 ARG 42 7.915 -11.984 7.598 319 HH12 ARG 42 2HH1 ARG 42 8.436 -13.652 7.698 320 HH21 ARG 42 1HH2 ARG 42 11.748 -13.013 6.943 321 HH22 ARG 42 2HH2 ARG 42 10.548 -14.219 7.316 322 H GLY 43 H GLY 43 6.735 -6.129 5.699 323 HA2 GLY 43 1HA GLY 43 5.300 -4.927 7.596 324 HA3 GLY 43 2HA GLY 43 6.092 -3.512 6.888 325 H ILE 44 H ILE 44 5.580 -2.864 4.736 326 HA ILE 44 HA ILE 44 2.833 -3.134 4.120 327 HB ILE 44 HB ILE 44 4.310 -1.230 3.413 328 HG12 ILE 44 1HG1 ILE 44 3.467 -1.084 1.009 329 HG13 ILE 44 2HG1 ILE 44 2.747 -2.664 1.246 330 HG21 ILE 44 1HG2 ILE 44 6.238 -2.641 2.623 331 HG22 ILE 44 2HG2 ILE 44 5.276 -3.085 1.200 332 HG23 ILE 44 3HG2 ILE 44 5.724 -1.395 1.472 333 HD11 ILE 44 1HD1 ILE 44 1.246 -1.829 2.866 334 HD12 ILE 44 2HD1 ILE 44 2.116 -0.272 2.958 335 HD13 ILE 44 3HD1 ILE 44 1.249 -0.725 1.479 336 H VAL 45 H VAL 45 5.603 -4.999 2.902 337 HA VAL 45 HA VAL 45 4.136 -6.278 0.806 338 HB VAL 45 HB VAL 45 6.507 -6.249 0.689 339 HG11 VAL 45 1HG1 VAL 45 8.017 -7.401 2.254 340 HG12 VAL 45 2HG1 VAL 45 7.123 -6.088 3.033 341 HG13 VAL 45 3HG1 VAL 45 6.634 -7.786 3.292 342 HG21 VAL 45 1HG2 VAL 45 5.399 -8.226 -0.274 343 HG22 VAL 45 2HG2 VAL 45 7.072 -8.550 0.226 344 HG23 VAL 45 3HG2 VAL 45 5.720 -9.112 1.233 345 H GLU 46 H GLU 46 4.611 -7.102 4.251 346 HA GLU 46 HA GLU 46 3.592 -9.742 3.830 347 HB2 GLU 46 1HB GLU 46 3.945 -8.088 6.343 348 HB3 GLU 46 2HB GLU 46 3.370 -9.763 6.347 349 HG2 GLU 46 1HG GLU 46 5.449 -10.445 5.171 350 HG3 GLU 46 2HG GLU 46 6.044 -8.781 5.328 351 H GLU 47 H GLU 47 2.156 -6.636 4.698 352 HA GLU 47 HA GLU 47 -0.403 -7.895 5.333 353 HB2 GLU 47 1HB GLU 47 -1.161 -5.655 5.808 354 HB3 GLU 47 2HB GLU 47 0.431 -5.923 6.530 355 HG2 GLU 47 1HG GLU 47 1.423 -4.784 4.529 356 HG3 GLU 47 2HG GLU 47 -0.211 -4.349 4.034 357 H CYS 48 H CYS 48 1.050 -6.537 2.424 358 HA CYS 48 HA CYS 48 -1.669 -6.494 1.188 359 HB2 CYS 48 1HB CYS 48 0.894 -5.093 0.407 360 HB3 CYS 48 2HB CYS 48 -0.547 -5.145 -0.608 361 H CYS 49 H CYS 49 1.353 -8.265 1.011 362 HA CYS 49 HA CYS 49 0.466 -9.374 -1.629 363 HB2 CYS 49 1HB CYS 49 2.764 -8.474 -1.542 364 HB3 CYS 49 2HB CYS 49 3.152 -9.591 -0.230 365 H PHE 50 H PHE 50 1.824 -10.408 1.539 366 HA PHE 50 HA PHE 50 1.029 -13.176 1.059 367 HB2 PHE 50 1HB PHE 50 2.115 -11.727 3.494 368 HB3 PHE 50 2HB PHE 50 1.753 -13.453 3.461 369 HD1 PHE 50 1HD PHE 50 4.000 -10.812 2.106 370 HD2 PHE 50 2HD PHE 50 3.164 -15.028 2.304 371 HE1 PHE 50 1HE PHE 50 6.247 -11.297 1.148 372 HE2 PHE 50 2HE PHE 50 5.408 -15.522 1.348 373 HZ PHE 50 HZ PHE 50 6.956 -13.653 0.767 374 H ARG 51 H ARG 51 -0.498 -10.358 2.213 375 HA ARG 51 HA ARG 51 -2.916 -11.921 2.933 376 HB2 ARG 51 1HB ARG 51 -1.615 -9.756 4.635 377 HB3 ARG 51 2HB ARG 51 -3.320 -10.200 4.778 378 HG2 ARG 51 1HG ARG 51 -2.647 -12.535 5.267 379 HG3 ARG 51 2HG ARG 51 -0.948 -12.027 5.265 380 HD2 ARG 51 1HD ARG 51 -3.041 -10.759 7.052 381 HD3 ARG 51 2HD ARG 51 -2.122 -12.196 7.525 382 HE ARG 51 HE ARG 51 -0.084 -10.923 7.476 383 HH11 ARG 51 1HH1 ARG 51 -2.966 -8.894 7.188 384 HH12 ARG 51 2HH1 ARG 51 -2.125 -7.472 7.738 385 HH21 ARG 51 1HH2 ARG 51 0.914 -9.075 8.153 386 HH22 ARG 51 2HH2 ARG 51 0.035 -7.576 8.275 387 H SER 52 H SER 52 -4.798 -10.276 2.926 388 HA SER 52 HA SER 52 -4.403 -8.491 0.595 389 HB2 SER 52 1HB SER 52 -6.905 -8.273 0.772 390 HB3 SER 52 2HB SER 52 -6.344 -9.943 0.537 391 HG SER 52 HG SER 52 -7.012 -8.759 3.038 392 H CYS 53 H CYS 53 -4.934 -6.250 0.667 393 HA CYS 53 HA CYS 53 -5.388 -5.093 3.373 394 HB2 CYS 53 1HB CYS 53 -3.617 -3.504 3.161 395 HB3 CYS 53 2HB CYS 53 -2.925 -5.101 2.908 396 H ASP 54 H ASP 54 -5.871 -2.694 3.173 397 HA ASP 54 HA ASP 54 -7.331 -2.151 0.610 398 HB2 ASP 54 1HB ASP 54 -8.076 -1.171 3.393 399 HB3 ASP 54 2HB ASP 54 -9.002 -0.949 1.900 400 H LEU 55 H LEU 55 -7.330 0.175 0.051 401 HA LEU 55 HA LEU 55 -4.796 1.348 0.259 402 HB2 LEU 55 1HB LEU 55 -5.754 3.321 -0.702 403 HB3 LEU 55 2HB LEU 55 -6.416 1.886 -1.468 404 HG LEU 55 HG LEU 55 -8.333 2.443 0.447 405 HD11 LEU 55 1HD1 LEU 55 -7.218 4.603 0.995 406 HD12 LEU 55 2HD1 LEU 55 -8.819 4.844 0.267 407 HD13 LEU 55 3HD1 LEU 55 -7.355 5.091 -0.710 408 HD21 LEU 55 1HD2 LEU 55 -8.180 3.435 -2.427 409 HD22 LEU 55 2HD2 LEU 55 -9.665 3.256 -1.463 410 HD23 LEU 55 3HD2 LEU 55 -8.715 1.821 -1.903 411 H ALA 56 H ALA 56 -7.543 1.778 2.479 412 HA ALA 56 HA ALA 56 -6.517 4.073 3.827 413 HB1 ALA 56 1HB ALA 56 -8.281 1.809 4.871 414 HB2 ALA 56 2HB ALA 56 -8.055 3.396 5.646 415 HB3 ALA 56 3HB ALA 56 -8.846 3.291 4.057 416 H LEU 57 H LEU 57 -6.041 0.578 4.394 417 HA LEU 57 HA LEU 57 -4.431 0.944 6.775 418 HB2 LEU 57 1HB LEU 57 -5.705 -1.123 6.234 419 HB3 LEU 57 2HB LEU 57 -4.650 -1.404 4.847 420 HG LEU 57 HG LEU 57 -3.215 -1.023 7.391 421 HD11 LEU 57 1HD1 LEU 57 -5.196 -2.200 8.241 422 HD12 LEU 57 2HD1 LEU 57 -3.769 -3.255 8.276 423 HD13 LEU 57 3HD1 LEU 57 -4.993 -3.461 7.001 424 HD21 LEU 57 1HD2 LEU 57 -3.137 -3.197 5.275 425 HD22 LEU 57 2HD2 LEU 57 -1.984 -2.989 6.608 426 HD23 LEU 57 3HD2 LEU 57 -2.090 -1.755 5.339 427 H LEU 58 H LEU 58 -3.868 0.479 3.321 428 HA LEU 58 HA LEU 58 -1.053 0.170 3.339 429 HB2 LEU 58 1HB LEU 58 -2.817 -0.111 1.493 430 HB3 LEU 58 2HB LEU 58 -2.737 1.623 1.281 431 HG LEU 58 HG LEU 58 -0.577 -0.389 0.685 432 HD11 LEU 58 1HD1 LEU 58 -2.463 -0.264 -0.842 433 HD12 LEU 58 2HD1 LEU 58 -0.958 0.339 -1.573 434 HD13 LEU 58 3HD1 LEU 58 -2.195 1.495 -1.009 435 HD21 LEU 58 1HD2 LEU 58 0.542 1.625 -0.421 436 HD22 LEU 58 2HD2 LEU 58 0.659 1.523 1.342 437 HD23 LEU 58 3HD2 LEU 58 -0.508 2.629 0.599 438 H GLU 59 H GLU 59 -3.125 3.061 3.169 439 HA GLU 59 HA GLU 59 -1.193 5.021 2.708 440 HB2 GLU 59 1HB GLU 59 -3.651 5.294 2.629 441 HB3 GLU 59 2HB GLU 59 -3.726 5.189 4.386 442 HG2 GLU 59 1HG GLU 59 -2.418 7.270 4.567 443 HG3 GLU 59 2HG GLU 59 -2.345 7.367 2.806 444 H THR 60 H THR 60 -1.683 3.230 5.683 445 HA THR 60 HA THR 60 -0.581 5.231 7.426 446 HB THR 60 HB THR 60 -0.446 3.517 9.099 447 HG1 THR 60 1HG THR 60 -1.092 1.597 7.094 448 HG21 THR 60 1HG2 THR 60 -2.879 2.986 7.327 449 HG22 THR 60 2HG2 THR 60 -2.714 4.366 8.430 450 HG23 THR 60 3HG2 THR 60 -2.755 2.711 9.078 451 H TYR 61 H TYR 61 0.886 3.240 5.070 452 HA TYR 61 HA TYR 61 3.580 3.403 6.327 453 HB2 TYR 61 1HB TYR 61 2.446 2.001 3.893 454 HB3 TYR 61 2HB TYR 61 4.181 2.152 4.165 455 HD1 TYR 61 1HD TYR 61 1.052 0.891 5.870 456 HD2 TYR 61 2HD TYR 61 5.337 0.607 5.485 457 HE1 TYR 61 1HE TYR 61 1.068 -1.063 7.404 458 HE2 TYR 61 2HE TYR 61 5.324 -1.389 6.986 459 HH TYR 61 HH TYR 61 2.310 -2.790 8.259 460 H CYS 62 H CYS 62 1.626 5.461 4.680 461 HA CYS 62 HA CYS 62 3.462 6.526 2.696 462 HB2 CYS 62 1HB CYS 62 0.875 6.828 2.978 463 HB3 CYS 62 2HB CYS 62 1.313 8.106 4.112 464 H ALA 63 H ALA 63 4.466 8.739 2.959 465 HA ALA 63 HA ALA 63 6.059 8.784 5.334 466 HB1 ALA 63 1HB ALA 63 6.810 9.651 3.177 467 HB2 ALA 63 2HB ALA 63 5.573 10.927 3.242 468 HB3 ALA 63 3HB ALA 63 6.898 10.915 4.427 469 H THR 64 H THR 64 2.994 10.362 4.564 470 HA THR 64 HA THR 64 3.248 12.239 6.793 471 HB THR 64 HB THR 64 0.754 12.649 6.168 472 HG1 THR 64 1HG THR 64 0.615 10.657 4.951 473 HG21 THR 64 1HG2 THR 64 1.411 14.029 4.248 474 HG22 THR 64 2HG2 THR 64 2.955 13.154 4.132 475 HG23 THR 64 3HG2 THR 64 2.601 14.153 5.562 476 HA PRO 65 HA PRO 65 1.379 9.626 9.772 477 HB2 PRO 65 1HB PRO 65 0.242 11.380 11.506 478 HB3 PRO 65 2HB PRO 65 2.018 11.318 11.271 479 HG2 PRO 65 1HG PRO 65 0.006 13.141 9.991 480 HG3 PRO 65 2HG PRO 65 1.505 13.555 10.876 481 HD2 PRO 65 1HD PRO 65 1.440 13.405 8.174 482 HD3 PRO 65 2HD PRO 65 2.882 12.870 9.096 483 H ALA 66 H ALA 66 -0.796 9.346 11.032 484 HA ALA 66 HA ALA 66 -2.806 8.781 9.110 485 HB1 ALA 66 1HB ALA 66 -4.225 8.228 11.058 486 HB2 ALA 66 2HB ALA 66 -2.580 7.597 11.314 487 HB3 ALA 66 3HB ALA 66 -3.112 9.089 12.142 488 H LYS 67 H LYS 67 -4.451 9.930 8.304 489 HA LYS 67 HA LYS 67 -4.879 12.710 9.184 490 HB2 LYS 67 1HB LYS 67 -4.945 11.789 6.754 491 HB3 LYS 67 2HB LYS 67 -6.525 11.141 7.185 492 HG2 LYS 67 1HG LYS 67 -7.040 13.640 7.915 493 HG3 LYS 67 2HG LYS 67 -5.635 14.032 6.930 494 HD2 LYS 67 1HD LYS 67 -7.669 14.310 5.621 495 HD3 LYS 67 2HD LYS 67 -6.724 12.968 4.960 496 HE2 LYS 67 1HE LYS 67 -9.178 12.488 5.053 497 HE3 LYS 67 2HE LYS 67 -8.214 11.331 5.976 498 HZ1 LYS 67 1HZ LYS 67 -10.162 11.976 7.203 499 HZ2 LYS 67 2HZ LYS 67 -9.754 13.576 7.143 500 HZ3 LYS 67 3HZ LYS 67 -8.824 12.514 8.004 501 H SER 68 H SER 68 -5.334 10.599 11.090 502 HA SER 68 HA SER 68 -6.879 9.597 12.469 503 HB2 SER 68 1HB SER 68 -6.719 12.038 13.077 504 HB3 SER 68 2HB SER 68 -8.288 12.260 12.266 505 HG SER 68 HG SER 68 -8.640 11.841 14.446 506 H GLU 69 H GLU 69 -7.424 8.521 10.138 507 HA GLU 69 HA GLU 69 -10.142 9.083 9.266 508 HB2 GLU 69 1HB GLU 69 -8.237 8.424 7.714 509 HB3 GLU 69 2HB GLU 69 -8.294 6.805 8.403 510 HG2 GLU 69 1HG GLU 69 -9.621 6.686 6.406 511 HG3 GLU 69 2HG GLU 69 -10.793 6.731 7.715 Start of MODEL 18 1 HA ALA 1 HA ALA 1 -15.039 -17.140 -7.090 2 HB1 ALA 1 1HB ALA 1 -15.235 -16.713 -9.532 3 HB2 ALA 1 2HB ALA 1 -16.817 -17.105 -8.837 4 HB3 ALA 1 3HB ALA 1 -16.411 -15.423 -9.227 5 H TYR 2 H TYR 2 -13.227 -16.462 -6.236 6 HA TYR 2 HA TYR 2 -12.326 -13.705 -6.527 7 HB2 TYR 2 1HB TYR 2 -10.865 -16.160 -5.511 8 HB3 TYR 2 2HB TYR 2 -10.322 -14.493 -5.343 9 HD1 TYR 2 1HD TYR 2 -11.901 -17.125 -3.638 10 HD2 TYR 2 2HD TYR 2 -12.231 -12.870 -4.223 11 HE1 TYR 2 1HE TYR 2 -13.147 -16.916 -1.485 12 HE2 TYR 2 2HE TYR 2 -13.475 -12.679 -2.070 13 HH TYR 2 HH TYR 2 -14.312 -13.783 -0.252 14 H ARG 3 H ARG 3 -10.751 -12.908 -7.798 15 HA ARG 3 HA ARG 3 -9.949 -14.469 -10.161 16 HB2 ARG 3 1HB ARG 3 -9.292 -11.672 -9.167 17 HB3 ARG 3 2HB ARG 3 -8.615 -12.356 -10.648 18 HG2 ARG 3 1HG ARG 3 -10.873 -12.651 -11.564 19 HG3 ARG 3 2HG ARG 3 -11.574 -11.973 -10.082 20 HD2 ARG 3 1HD ARG 3 -10.513 -9.834 -10.491 21 HD3 ARG 3 2HD ARG 3 -9.603 -10.504 -11.857 22 HE ARG 3 HE ARG 3 -11.477 -10.353 -13.211 23 HH11 ARG 3 1HH1 ARG 3 -12.494 -9.704 -9.886 24 HH12 ARG 3 2HH1 ARG 3 -14.063 -9.135 -10.387 25 HH21 ARG 3 1HH2 ARG 3 -13.495 -9.618 -13.761 26 HH22 ARG 3 2HH2 ARG 3 -14.617 -9.093 -12.536 27 HA PRO 4 HA PRO 4 -6.238 -16.234 -8.590 28 HB2 PRO 4 1HB PRO 4 -4.813 -14.960 -10.927 29 HB3 PRO 4 2HB PRO 4 -4.784 -16.650 -10.363 30 HG2 PRO 4 1HG PRO 4 -6.188 -16.025 -12.482 31 HG3 PRO 4 2HG PRO 4 -6.891 -17.102 -11.231 32 HD2 PRO 4 1HD PRO 4 -7.384 -14.164 -11.698 33 HD3 PRO 4 2HD PRO 4 -8.551 -15.486 -11.353 34 H SER 5 H SER 5 -6.040 -12.808 -9.425 35 HA SER 5 HA SER 5 -4.053 -12.438 -7.278 36 HB2 SER 5 1HB SER 5 -2.817 -12.510 -9.453 37 HB3 SER 5 2HB SER 5 -3.827 -11.171 -10.039 38 HG SER 5 HG SER 5 -1.946 -11.179 -7.916 39 H GLU 6 H GLU 6 -5.305 -11.418 -5.932 40 HA GLU 6 HA GLU 6 -6.787 -8.998 -6.874 41 HB2 GLU 6 1HB GLU 6 -7.502 -10.806 -4.544 42 HB3 GLU 6 2HB GLU 6 -8.414 -9.407 -5.129 43 HG2 GLU 6 1HG GLU 6 -8.606 -10.605 -7.341 44 HG3 GLU 6 2HG GLU 6 -7.956 -12.031 -6.520 45 H THR 7 H THR 7 -4.326 -10.210 -4.792 46 HA THR 7 HA THR 7 -4.591 -8.040 -2.840 47 HB THR 7 HB THR 7 -2.376 -8.948 -2.011 48 HG1 THR 7 1HG THR 7 -1.669 -10.881 -2.899 49 HG21 THR 7 1HG2 THR 7 -4.557 -9.724 -1.089 50 HG22 THR 7 2HG2 THR 7 -3.307 -10.985 -1.062 51 HG23 THR 7 3HG2 THR 7 -4.576 -11.028 -2.304 52 H LEU 8 H LEU 8 -3.017 -6.384 -2.602 53 HA LEU 8 HA LEU 8 -2.311 -5.294 -5.210 54 HB2 LEU 8 1HB LEU 8 -3.362 -3.954 -3.433 55 HB3 LEU 8 2HB LEU 8 -1.978 -4.220 -2.395 56 HG LEU 8 HG LEU 8 -0.597 -2.940 -3.955 57 HD11 LEU 8 1HD1 LEU 8 -1.738 -3.334 -6.071 58 HD12 LEU 8 2HD1 LEU 8 -1.716 -1.598 -5.733 59 HD13 LEU 8 3HD1 LEU 8 -3.203 -2.525 -5.464 60 HD21 LEU 8 1HD2 LEU 8 -1.544 -0.777 -3.383 61 HD22 LEU 8 2HD2 LEU 8 -1.802 -1.900 -2.040 62 HD23 LEU 8 3HD2 LEU 8 -3.146 -1.501 -3.139 63 H CYS 9 H CYS 9 -0.602 -6.241 -6.105 64 HA CYS 9 HA CYS 9 2.008 -6.073 -4.703 65 HB2 CYS 9 1HB CYS 9 0.593 -8.336 -4.447 66 HB3 CYS 9 2HB CYS 9 1.270 -8.659 -6.044 67 H GLY 10 H GLY 10 3.511 -7.515 -6.505 68 HA2 GLY 10 1HA GLY 10 4.354 -7.592 -8.649 69 HA3 GLY 10 2HA GLY 10 2.703 -7.311 -9.206 70 H GLY 11 H GLY 11 4.527 -4.982 -7.251 71 HA2 GLY 11 1HA GLY 11 5.586 -3.013 -7.957 72 HA3 GLY 11 2HA GLY 11 5.173 -3.394 -9.635 73 H GLU 12 H GLU 12 2.261 -3.808 -8.953 74 HA GLU 12 HA GLU 12 1.418 -1.083 -9.269 75 HB2 GLU 12 1HB GLU 12 0.122 -3.013 -10.092 76 HB3 GLU 12 2HB GLU 12 -0.187 -3.523 -8.430 77 HG2 GLU 12 1HG GLU 12 -2.148 -2.380 -9.323 78 HG3 GLU 12 2HG GLU 12 -1.444 -1.430 -8.012 79 H LEU 13 H LEU 13 2.082 -3.078 -6.486 80 HA LEU 13 HA LEU 13 0.726 -1.555 -4.501 81 HB2 LEU 13 1HB LEU 13 1.810 -3.699 -4.030 82 HB3 LEU 13 2HB LEU 13 3.393 -3.026 -4.413 83 HG LEU 13 HG LEU 13 3.345 -1.602 -2.460 84 HD11 LEU 13 1HD1 LEU 13 0.966 -1.063 -2.324 85 HD12 LEU 13 2HD1 LEU 13 1.540 -1.735 -0.797 86 HD13 LEU 13 3HD1 LEU 13 0.594 -2.753 -1.905 87 HD21 LEU 13 1HD2 LEU 13 3.310 -3.330 -0.706 88 HD22 LEU 13 2HD2 LEU 13 4.160 -3.874 -2.173 89 HD23 LEU 13 3HD2 LEU 13 2.506 -4.451 -1.837 90 H VAL 14 H VAL 14 3.953 -1.111 -6.050 91 HA VAL 14 HA VAL 14 4.699 1.133 -4.416 92 HB VAL 14 HB VAL 14 5.676 0.365 -7.211 93 HG11 VAL 14 1HG1 VAL 14 6.284 2.668 -6.669 94 HG12 VAL 14 2HG1 VAL 14 6.894 2.164 -5.074 95 HG13 VAL 14 3HG1 VAL 14 7.724 1.639 -6.559 96 HG21 VAL 14 1HG2 VAL 14 6.022 -1.495 -5.646 97 HG22 VAL 14 2HG2 VAL 14 7.573 -0.716 -5.996 98 HG23 VAL 14 3HG2 VAL 14 6.750 -0.392 -4.455 99 H ASP 15 H ASP 15 3.126 0.732 -7.580 100 HA ASP 15 HA ASP 15 2.923 3.464 -8.303 101 HB2 ASP 15 1HB ASP 15 2.362 1.400 -9.689 102 HB3 ASP 15 2HB ASP 15 0.842 1.300 -8.795 103 H THR 16 H THR 16 0.837 1.434 -6.209 104 HA THR 16 HA THR 16 -1.111 3.502 -5.762 105 HB THR 16 HB THR 16 -0.435 1.189 -3.898 106 HG1 THR 16 1HG THR 16 -0.812 0.495 -6.077 107 HG21 THR 16 1HG2 THR 16 -1.968 2.824 -2.966 108 HG22 THR 16 2HG2 THR 16 -2.855 1.353 -3.422 109 HG23 THR 16 3HG2 THR 16 -2.953 2.799 -4.453 110 H LEU 17 H LEU 17 1.835 2.507 -3.976 111 HA LEU 17 HA LEU 17 1.419 4.234 -1.723 112 HB2 LEU 17 1HB LEU 17 3.866 3.042 -3.040 113 HB3 LEU 17 2HB LEU 17 3.995 4.106 -1.648 114 HG LEU 17 HG LEU 17 2.126 1.786 -1.405 115 HD11 LEU 17 1HD1 LEU 17 3.939 0.312 -0.753 116 HD12 LEU 17 2HD1 LEU 17 5.126 1.517 -1.307 117 HD13 LEU 17 3HD1 LEU 17 4.001 0.753 -2.459 118 HD21 LEU 17 1HD2 LEU 17 2.466 3.487 0.395 119 HD22 LEU 17 2HD2 LEU 17 4.179 3.010 0.485 120 HD23 LEU 17 3HD2 LEU 17 2.901 1.842 0.895 121 H GLN 18 H GLN 18 2.916 4.685 -4.937 122 HA GLN 18 HA GLN 18 3.797 7.389 -4.467 123 HB2 GLN 18 1HB GLN 18 3.177 5.833 -6.996 124 HB3 GLN 18 2HB GLN 18 3.859 7.464 -7.000 125 HG2 GLN 18 1HG GLN 18 5.870 6.733 -5.937 126 HG3 GLN 18 2HG GLN 18 5.180 5.157 -5.548 127 HE21 GLN 18 1HE2 GLN 18 7.294 5.485 -8.832 128 HE22 GLN 18 2HE2 GLN 18 7.350 6.579 -7.470 129 H PHE 19 H PHE 19 0.763 5.971 -5.736 130 HA PHE 19 HA PHE 19 -0.418 8.482 -6.466 131 HB2 PHE 19 1HB PHE 19 -1.254 6.326 -7.272 132 HB3 PHE 19 2HB PHE 19 -1.672 5.844 -5.625 133 HD1 PHE 19 1HD PHE 19 -3.717 6.502 -4.600 134 HD2 PHE 19 2HD PHE 19 -2.514 8.255 -8.342 135 HE1 PHE 19 1HE PHE 19 -5.976 7.521 -4.840 136 HE2 PHE 19 2HE PHE 19 -4.773 9.283 -8.592 137 HZ PHE 19 HZ PHE 19 -6.509 8.916 -6.840 138 H VAL 20 H VAL 20 -0.679 6.526 -3.431 139 HA VAL 20 HA VAL 20 -2.546 8.415 -2.326 140 HB VAL 20 HB VAL 20 -2.459 5.933 -1.716 141 HG11 VAL 20 1HG1 VAL 20 -0.949 5.196 0.001 142 HG12 VAL 20 2HG1 VAL 20 -0.015 5.784 -1.375 143 HG13 VAL 20 3HG1 VAL 20 -0.169 6.780 0.086 144 HG21 VAL 20 1HG2 VAL 20 -3.752 7.582 -0.424 145 HG22 VAL 20 2HG2 VAL 20 -3.127 6.259 0.584 146 HG23 VAL 20 3HG2 VAL 20 -2.341 7.856 0.624 147 H CYS 21 H CYS 21 1.012 8.154 -2.111 148 HA CYS 21 HA CYS 21 1.075 10.810 -0.846 149 HB2 CYS 21 1HB CYS 21 2.293 10.056 1.118 150 HB3 CYS 21 2HB CYS 21 0.700 9.305 1.047 151 H GLY 22 H GLY 22 2.233 9.707 -3.377 152 HA2 GLY 22 1HA GLY 22 4.982 9.106 -3.015 153 HA3 GLY 22 2HA GLY 22 4.243 9.746 -4.487 154 H ASP 23 H ASP 23 3.324 12.208 -2.999 155 HA ASP 23 HA ASP 23 5.719 13.787 -3.437 156 HB2 ASP 23 1HB ASP 23 4.332 15.674 -2.891 157 HB3 ASP 23 2HB ASP 23 3.371 14.574 -3.892 158 H ARG 24 H ARG 24 4.367 12.095 -0.738 159 HA ARG 24 HA ARG 24 5.858 13.751 1.228 160 HB2 ARG 24 1HB ARG 24 4.310 11.202 1.784 161 HB3 ARG 24 2HB ARG 24 4.765 12.466 2.920 162 HG2 ARG 24 1HG ARG 24 2.593 12.541 0.801 163 HG3 ARG 24 2HG ARG 24 2.408 12.637 2.552 164 HD2 ARG 24 1HD ARG 24 3.579 14.707 0.695 165 HD3 ARG 24 2HD ARG 24 2.075 14.827 1.610 166 HE ARG 24 HE ARG 24 3.985 14.504 3.552 167 HH11 ARG 24 1HH1 ARG 24 3.688 16.724 0.824 168 HH12 ARG 24 2HH1 ARG 24 4.588 17.990 1.626 169 HH21 ARG 24 1HH2 ARG 24 5.129 16.169 4.524 170 HH22 ARG 24 2HH2 ARG 24 5.387 17.675 3.688 171 H GLY 25 H GLY 25 6.047 10.796 -0.564 172 HA2 GLY 25 1HA GLY 25 7.895 9.331 -0.701 173 HA3 GLY 25 2HA GLY 25 8.604 10.086 0.748 174 H PHE 26 H PHE 26 8.378 7.267 0.448 175 HA PHE 26 HA PHE 26 6.735 6.636 2.790 176 HB2 PHE 26 1HB PHE 26 5.527 4.808 1.598 177 HB3 PHE 26 2HB PHE 26 5.049 6.417 1.060 178 HD1 PHE 26 1HD PHE 26 5.407 7.175 -1.183 179 HD2 PHE 26 2HD PHE 26 6.970 3.376 0.102 180 HE1 PHE 26 1HE PHE 26 5.918 6.596 -3.535 181 HE2 PHE 26 2HE PHE 26 7.487 2.788 -2.258 182 HZ PHE 26 HZ PHE 26 6.949 4.396 -4.080 183 H TYR 27 H TYR 27 7.020 4.301 3.378 184 HA TYR 27 HA TYR 27 9.620 3.224 2.354 185 HB2 TYR 27 1HB TYR 27 8.709 3.443 5.248 186 HB3 TYR 27 2HB TYR 27 10.146 2.572 4.694 187 HD1 TYR 27 1HD TYR 27 8.716 5.864 5.475 188 HD2 TYR 27 2HD TYR 27 12.086 3.843 3.712 189 HE1 TYR 27 1HE TYR 27 10.053 7.970 5.594 190 HE2 TYR 27 2HE TYR 27 13.409 5.951 3.835 191 HH TYR 27 HH TYR 27 13.401 8.168 4.374 192 H PHE 28 H PHE 28 9.807 0.860 2.801 193 HA PHE 28 HA PHE 28 7.179 -0.352 2.326 194 HB2 PHE 28 1HB PHE 28 9.912 -0.951 1.632 195 HB3 PHE 28 2HB PHE 28 9.169 -2.356 2.399 196 HD1 PHE 28 1HD PHE 28 8.385 -3.902 0.839 197 HD2 PHE 28 2HD PHE 28 7.923 0.296 -0.010 198 HE1 PHE 28 1HE PHE 28 7.212 -4.460 -1.288 199 HE2 PHE 28 2HE PHE 28 6.749 -0.256 -2.125 200 HZ PHE 28 HZ PHE 28 6.387 -2.633 -2.772 201 H SER 29 H SER 29 8.861 0.456 5.023 202 HA SER 29 HA SER 29 7.367 -1.527 6.661 203 HB2 SER 29 1HB SER 29 9.366 -1.488 8.234 204 HB3 SER 29 2HB SER 29 9.639 -2.355 6.715 205 HG SER 29 HG SER 29 10.624 0.181 7.506 206 H ARG 30 H ARG 30 6.817 -0.545 8.765 207 HA ARG 30 HA ARG 30 6.302 2.238 8.564 208 HB2 ARG 30 1HB ARG 30 6.250 0.545 11.057 209 HB3 ARG 30 2HB ARG 30 5.572 2.163 10.909 210 HG2 ARG 30 1HG ARG 30 4.676 -0.192 9.238 211 HG3 ARG 30 2HG ARG 30 3.952 0.236 10.789 212 HD2 ARG 30 1HD ARG 30 4.102 2.576 9.044 213 HD3 ARG 30 2HD ARG 30 3.242 1.245 8.258 214 HE ARG 30 HE ARG 30 1.563 1.325 9.879 215 HH11 ARG 30 1HH1 ARG 30 4.033 3.742 10.616 216 HH12 ARG 30 2HH1 ARG 30 3.040 4.518 11.815 217 HH21 ARG 30 1HH2 ARG 30 0.366 2.364 11.423 218 HH22 ARG 30 2HH2 ARG 30 1.002 3.755 12.259 219 HA PRO 31 HA PRO 31 9.974 3.164 11.281 220 HB2 PRO 31 1HB PRO 31 11.892 1.274 11.742 221 HB3 PRO 31 2HB PRO 31 10.458 1.455 12.803 222 HG2 PRO 31 1HG PRO 31 10.900 -0.492 10.534 223 HG3 PRO 31 2HG PRO 31 10.292 -0.814 12.189 224 HD2 PRO 31 1HD PRO 31 8.646 -0.507 10.051 225 HD3 PRO 31 2HD PRO 31 8.190 0.024 11.695 226 H ALA 32 H ALA 32 11.602 4.225 10.255 227 HA ALA 32 HA ALA 32 12.618 3.083 7.683 228 HB1 ALA 32 1HB ALA 32 13.069 5.417 7.056 229 HB2 ALA 32 2HB ALA 32 11.359 5.195 7.485 230 HB3 ALA 32 3HB ALA 32 12.469 5.973 8.638 231 H SER 33 H SER 33 13.446 4.205 10.857 232 HA SER 33 HA SER 33 15.390 4.486 11.999 233 HB2 SER 33 1HB SER 33 15.340 2.011 11.445 234 HB3 SER 33 2HB SER 33 16.517 2.355 10.166 235 HG SER 33 HG SER 33 17.887 3.227 11.785 236 H ARG 34 H ARG 34 15.120 6.150 9.547 237 HA ARG 34 HA ARG 34 16.288 7.724 8.391 238 HB2 ARG 34 1HB ARG 34 17.101 7.950 10.870 239 HB3 ARG 34 2HB ARG 34 18.631 7.349 10.238 240 HG2 ARG 34 1HG ARG 34 18.693 9.270 8.641 241 HG3 ARG 34 2HG ARG 34 17.172 9.866 9.337 242 HD2 ARG 34 1HD ARG 34 18.255 10.032 11.547 243 HD3 ARG 34 2HD ARG 34 19.770 9.426 10.853 244 HE ARG 34 HE ARG 34 18.964 11.694 9.359 245 HH11 ARG 34 1HH1 ARG 34 20.175 10.964 12.595 246 HH12 ARG 34 2HH1 ARG 34 20.892 12.541 12.783 247 HH21 ARG 34 1HH2 ARG 34 19.910 13.687 9.674 248 HH22 ARG 34 2HH2 ARG 34 20.759 14.044 11.152 249 H VAL 35 H VAL 35 16.790 4.751 7.666 250 HA VAL 35 HA VAL 35 19.138 5.317 5.962 251 HB VAL 35 HB VAL 35 19.929 2.959 6.296 252 HG11 VAL 35 1HG1 VAL 35 20.971 4.837 7.554 253 HG12 VAL 35 2HG1 VAL 35 19.859 4.526 8.905 254 HG13 VAL 35 3HG1 VAL 35 21.047 3.293 8.433 255 HG21 VAL 35 1HG2 VAL 35 17.779 1.986 7.122 256 HG22 VAL 35 2HG2 VAL 35 19.145 1.621 8.197 257 HG23 VAL 35 3HG2 VAL 35 17.980 2.884 8.641 258 H SER 36 H SER 36 19.267 3.824 4.229 259 HA SER 36 HA SER 36 16.955 2.150 3.568 260 HB2 SER 36 1HB SER 36 16.378 4.426 2.635 261 HB3 SER 36 2HB SER 36 17.835 4.328 1.626 262 HG SER 36 HG SER 36 15.834 3.593 0.621 263 H ARG 37 H ARG 37 19.083 1.043 4.334 264 HA ARG 37 HA ARG 37 20.746 0.413 1.930 265 HB2 ARG 37 1HB ARG 37 21.714 0.950 4.773 266 HB3 ARG 37 2HB ARG 37 22.706 0.226 3.503 267 HG2 ARG 37 1HG ARG 37 21.480 3.016 3.354 268 HG3 ARG 37 2HG ARG 37 23.151 2.668 3.826 269 HD2 ARG 37 1HD ARG 37 23.592 1.657 1.626 270 HD3 ARG 37 2HD ARG 37 21.917 1.931 1.134 271 HE ARG 37 HE ARG 37 24.040 3.970 1.434 272 HH11 ARG 37 1HH1 ARG 37 20.659 3.295 0.556 273 HH12 ARG 37 2HH1 ARG 37 20.508 4.817 -0.287 274 HH21 ARG 37 1HH2 ARG 37 23.720 5.886 0.366 275 HH22 ARG 37 2HH2 ARG 37 22.188 6.247 -0.379 276 H ARG 38 H ARG 38 21.389 -1.745 1.881 277 HA ARG 38 HA ARG 38 20.865 -3.977 1.961 278 HB2 ARG 38 1HB ARG 38 20.189 -3.538 4.898 279 HB3 ARG 38 2HB ARG 38 20.434 -5.088 4.096 280 HG2 ARG 38 1HG ARG 38 22.788 -4.534 3.674 281 HG3 ARG 38 2HG ARG 38 22.564 -2.951 4.452 282 HD2 ARG 38 1HD ARG 38 21.921 -4.083 6.556 283 HD3 ARG 38 2HD ARG 38 22.164 -5.660 5.778 284 HE ARG 38 HE ARG 38 24.558 -4.204 5.474 285 HH11 ARG 38 1HH1 ARG 38 22.700 -5.593 8.136 286 HH12 ARG 38 2HH1 ARG 38 24.118 -5.829 9.124 287 HH21 ARG 38 1HH2 ARG 38 26.325 -4.552 6.789 288 HH22 ARG 38 2HH2 ARG 38 26.126 -5.248 8.371 289 H SER 39 H SER 39 18.971 -1.853 1.385 290 HA SER 39 HA SER 39 16.858 -1.516 0.710 291 HB2 SER 39 1HB SER 39 15.492 -3.303 0.033 292 HB3 SER 39 2HB SER 39 17.156 -3.871 -0.180 293 HG SER 39 HG SER 39 16.772 -4.727 2.103 294 HA PRO 40 HA PRO 40 14.487 -0.736 4.300 295 HB2 PRO 40 1HB PRO 40 11.949 -0.377 3.316 296 HB3 PRO 40 2HB PRO 40 13.252 0.836 3.082 297 HG2 PRO 40 1HG PRO 40 12.349 -1.344 1.202 298 HG3 PRO 40 2HG PRO 40 12.572 0.402 0.870 299 HD2 PRO 40 1HD PRO 40 14.452 -1.385 0.237 300 HD3 PRO 40 2HD PRO 40 14.900 0.223 0.910 301 H GLN 41 H GLN 41 13.133 -1.858 5.759 302 HA GLN 41 HA GLN 41 13.081 -4.683 5.332 303 HB2 GLN 41 1HB GLN 41 11.761 -2.997 7.492 304 HB3 GLN 41 2HB GLN 41 12.018 -4.741 7.555 305 HG2 GLN 41 1HG GLN 41 13.878 -4.194 8.703 306 HG3 GLN 41 2HG GLN 41 14.573 -3.885 7.107 307 HE21 GLN 41 1HE2 GLN 41 14.513 -0.957 9.753 308 HE22 GLN 41 2HE2 GLN 41 14.425 -2.666 10.100 309 H ARG 42 H ARG 42 11.125 -5.985 5.804 310 HA ARG 42 HA ARG 42 9.035 -5.321 3.882 311 HB2 ARG 42 1HB ARG 42 9.323 -7.592 5.893 312 HB3 ARG 42 2HB ARG 42 7.991 -7.446 4.744 313 HG2 ARG 42 1HG ARG 42 9.628 -7.544 2.870 314 HG3 ARG 42 2HG ARG 42 10.914 -7.852 4.059 315 HD2 ARG 42 1HD ARG 42 9.711 -9.859 4.846 316 HD3 ARG 42 2HD ARG 42 8.402 -9.536 3.694 317 HE ARG 42 HE ARG 42 10.866 -9.704 2.275 318 HH11 ARG 42 1HH1 ARG 42 8.635 -11.834 4.000 319 HH12 ARG 42 2HH1 ARG 42 9.070 -13.222 3.039 320 HH21 ARG 42 1HH2 ARG 42 11.371 -11.526 1.093 321 HH22 ARG 42 2HH2 ARG 42 10.587 -13.045 1.424 322 H GLY 43 H GLY 43 6.763 -5.332 4.426 323 HA2 GLY 43 1HA GLY 43 5.611 -5.215 6.941 324 HA3 GLY 43 2HA GLY 43 6.146 -3.556 6.604 325 H ILE 44 H ILE 44 5.523 -2.718 4.348 326 HA ILE 44 HA ILE 44 2.691 -2.773 4.110 327 HB ILE 44 HB ILE 44 4.123 -0.903 3.240 328 HG12 ILE 44 1HG1 ILE 44 3.083 -0.793 0.868 329 HG13 ILE 44 2HG1 ILE 44 2.275 -2.293 1.287 330 HG21 ILE 44 1HG2 ILE 44 4.807 -2.696 0.873 331 HG22 ILE 44 2HG2 ILE 44 5.386 -1.057 1.214 332 HG23 ILE 44 3HG2 ILE 44 5.916 -2.412 2.228 333 HD11 ILE 44 1HD1 ILE 44 1.236 -1.154 3.201 334 HD12 ILE 44 2HD1 ILE 44 2.013 0.362 2.656 335 HD13 ILE 44 3HD1 ILE 44 0.849 -0.462 1.617 336 H VAL 45 H VAL 45 5.194 -4.591 2.340 337 HA VAL 45 HA VAL 45 3.425 -5.806 0.492 338 HB VAL 45 HB VAL 45 5.890 -5.719 0.302 339 HG11 VAL 45 1HG1 VAL 45 6.499 -6.292 2.601 340 HG12 VAL 45 2HG1 VAL 45 5.984 -7.973 2.298 341 HG13 VAL 45 3HG1 VAL 45 7.354 -7.281 1.404 342 HG21 VAL 45 1HG2 VAL 45 4.610 -7.219 -1.128 343 HG22 VAL 45 2HG2 VAL 45 6.211 -7.889 -0.760 344 HG23 VAL 45 3HG2 VAL 45 4.773 -8.514 0.080 345 H GLU 46 H GLU 46 4.225 -6.624 3.847 346 HA GLU 46 HA GLU 46 3.135 -9.250 3.563 347 HB2 GLU 46 1HB GLU 46 3.907 -7.585 5.958 348 HB3 GLU 46 2HB GLU 46 3.131 -9.167 6.134 349 HG2 GLU 46 1HG GLU 46 4.926 -10.235 4.868 350 HG3 GLU 46 2HG GLU 46 5.695 -8.665 4.593 351 H GLU 47 H GLU 47 1.848 -6.084 4.452 352 HA GLU 47 HA GLU 47 -0.697 -7.265 5.297 353 HB2 GLU 47 1HB GLU 47 -0.051 -4.350 4.755 354 HB3 GLU 47 2HB GLU 47 -1.434 -5.001 5.644 355 HG2 GLU 47 1HG GLU 47 1.474 -4.961 6.474 356 HG3 GLU 47 2HG GLU 47 0.104 -4.191 7.272 357 H CYS 48 H CYS 48 0.583 -5.657 2.380 358 HA CYS 48 HA CYS 48 -2.150 -5.640 1.248 359 HB2 CYS 48 1HB CYS 48 0.439 -4.365 0.333 360 HB3 CYS 48 2HB CYS 48 -1.118 -4.198 -0.483 361 H CYS 49 H CYS 49 0.779 -7.497 0.803 362 HA CYS 49 HA CYS 49 -0.301 -8.474 -1.818 363 HB2 CYS 49 1HB CYS 49 1.915 -7.480 -1.998 364 HB3 CYS 49 2HB CYS 49 2.515 -8.523 -0.709 365 H PHE 50 H PHE 50 1.269 -9.552 1.237 366 HA PHE 50 HA PHE 50 0.627 -12.358 0.666 367 HB2 PHE 50 1HB PHE 50 1.721 -10.921 3.100 368 HB3 PHE 50 2HB PHE 50 1.342 -12.642 3.100 369 HD1 PHE 50 1HD PHE 50 3.617 -10.062 1.695 370 HD2 PHE 50 2HD PHE 50 2.717 -14.255 1.946 371 HE1 PHE 50 1HE PHE 50 5.859 -10.582 0.755 372 HE2 PHE 50 2HE PHE 50 4.957 -14.793 1.001 373 HZ PHE 50 HZ PHE 50 6.537 -12.956 0.408 374 H ARG 51 H ARG 51 -1.018 -9.644 1.902 375 HA ARG 51 HA ARG 51 -3.402 -11.285 2.481 376 HB2 ARG 51 1HB ARG 51 -2.235 -9.235 4.431 377 HB3 ARG 51 2HB ARG 51 -3.914 -9.793 4.470 378 HG2 ARG 51 1HG ARG 51 -2.878 -12.151 4.564 379 HG3 ARG 51 2HG ARG 51 -1.420 -11.306 5.116 380 HD2 ARG 51 1HD ARG 51 -4.185 -11.196 6.372 381 HD3 ARG 51 2HD ARG 51 -2.787 -12.081 7.003 382 HE ARG 51 HE ARG 51 -2.122 -9.315 6.725 383 HH11 ARG 51 1HH1 ARG 51 -4.089 -11.423 8.760 384 HH12 ARG 51 2HH1 ARG 51 -4.009 -10.342 10.126 385 HH21 ARG 51 1HH2 ARG 51 -2.056 -7.976 8.518 386 HH22 ARG 51 2HH2 ARG 51 -2.882 -8.440 9.988 387 H SER 52 H SER 52 -5.187 -9.411 2.853 388 HA SER 52 HA SER 52 -4.767 -7.482 0.619 389 HB2 SER 52 1HB SER 52 -7.297 -8.198 2.151 390 HB3 SER 52 2HB SER 52 -7.194 -7.181 0.695 391 HG SER 52 HG SER 52 -7.770 -9.320 0.172 392 H CYS 53 H CYS 53 -5.263 -5.203 0.947 393 HA CYS 53 HA CYS 53 -5.563 -4.322 3.758 394 HB2 CYS 53 1HB CYS 53 -3.693 -2.863 3.704 395 HB3 CYS 53 2HB CYS 53 -3.096 -4.431 3.170 396 H ASP 54 H ASP 54 -5.970 -1.986 3.881 397 HA ASP 54 HA ASP 54 -7.626 -1.069 1.574 398 HB2 ASP 54 1HB ASP 54 -7.498 -0.153 4.473 399 HB3 ASP 54 2HB ASP 54 -8.620 0.467 3.250 400 H LEU 55 H LEU 55 -7.468 1.184 0.934 401 HA LEU 55 HA LEU 55 -4.849 2.280 0.694 402 HB2 LEU 55 1HB LEU 55 -5.944 4.290 -0.069 403 HB3 LEU 55 2HB LEU 55 -6.702 2.868 -0.766 404 HG LEU 55 HG LEU 55 -8.323 3.364 1.421 405 HD11 LEU 55 1HD1 LEU 55 -7.547 6.046 0.191 406 HD12 LEU 55 2HD1 LEU 55 -7.164 5.523 1.848 407 HD13 LEU 55 3HD1 LEU 55 -8.855 5.761 1.362 408 HD21 LEU 55 1HD2 LEU 55 -9.927 4.195 -0.254 409 HD22 LEU 55 2HD2 LEU 55 -9.042 2.779 -0.856 410 HD23 LEU 55 3HD2 LEU 55 -8.605 4.409 -1.424 411 H ALA 56 H ALA 56 -7.242 2.625 3.285 412 HA ALA 56 HA ALA 56 -6.005 4.903 4.525 413 HB1 ALA 56 1HB ALA 56 -8.336 4.250 5.002 414 HB2 ALA 56 2HB ALA 56 -7.783 2.714 5.710 415 HB3 ALA 56 3HB ALA 56 -7.376 4.258 6.499 416 H LEU 57 H LEU 57 -5.779 1.369 5.147 417 HA LEU 57 HA LEU 57 -3.860 1.590 7.270 418 HB2 LEU 57 1HB LEU 57 -5.307 -0.394 6.812 419 HB3 LEU 57 2HB LEU 57 -4.380 -0.712 5.343 420 HG LEU 57 HG LEU 57 -2.722 -0.437 7.762 421 HD11 LEU 57 1HD1 LEU 57 -4.688 -1.486 8.780 422 HD12 LEU 57 2HD1 LEU 57 -3.342 -2.640 8.690 423 HD13 LEU 57 3HD1 LEU 57 -4.685 -2.749 7.526 424 HD21 LEU 57 1HD2 LEU 57 -2.940 -2.673 5.712 425 HD22 LEU 57 2HD2 LEU 57 -1.624 -2.419 6.875 426 HD23 LEU 57 3HD2 LEU 57 -1.876 -1.255 5.560 427 H LEU 58 H LEU 58 -3.666 1.140 3.778 428 HA LEU 58 HA LEU 58 -0.903 0.644 3.496 429 HB2 LEU 58 1HB LEU 58 -2.794 0.490 1.832 430 HB3 LEU 58 2HB LEU 58 -2.770 2.231 1.708 431 HG LEU 58 HG LEU 58 -0.664 0.324 0.723 432 HD11 LEU 58 1HD1 LEU 58 -1.381 1.045 -1.410 433 HD12 LEU 58 2HD1 LEU 58 -2.555 2.168 -0.673 434 HD13 LEU 58 3HD1 LEU 58 -2.757 0.401 -0.490 435 HD21 LEU 58 1HD2 LEU 58 0.197 2.411 -0.451 436 HD22 LEU 58 2HD2 LEU 58 0.558 2.260 1.274 437 HD23 LEU 58 3HD2 LEU 58 -0.747 3.327 0.738 438 H GLU 59 H GLU 59 -2.733 3.720 3.587 439 HA GLU 59 HA GLU 59 -0.576 5.420 2.975 440 HB2 GLU 59 1HB GLU 59 -2.996 5.986 2.969 441 HB3 GLU 59 2HB GLU 59 -2.982 6.026 4.738 442 HG2 GLU 59 1HG GLU 59 -1.475 7.920 4.742 443 HG3 GLU 59 2HG GLU 59 -1.235 7.784 3.001 444 H THR 60 H THR 60 -1.157 3.717 5.971 445 HA THR 60 HA THR 60 0.195 5.626 7.648 446 HB THR 60 HB THR 60 0.192 3.962 9.359 447 HG1 THR 60 1HG THR 60 -0.625 2.064 7.384 448 HG21 THR 60 1HG2 THR 60 -2.159 3.439 9.466 449 HG22 THR 60 2HG2 THR 60 -2.321 3.531 7.700 450 HG23 THR 60 3HG2 THR 60 -2.003 5.006 8.636 451 H TYR 61 H TYR 61 1.390 3.446 5.292 452 HA TYR 61 HA TYR 61 4.068 3.194 6.524 453 HB2 TYR 61 1HB TYR 61 2.832 2.271 3.917 454 HB3 TYR 61 2HB TYR 61 4.554 2.108 4.266 455 HD1 TYR 61 1HD TYR 61 5.406 0.448 5.754 456 HD2 TYR 61 2HD TYR 61 1.154 1.013 5.376 457 HE1 TYR 61 1HE TYR 61 5.003 -1.651 7.043 458 HE2 TYR 61 2HE TYR 61 0.765 -1.085 6.664 459 HH TYR 61 HH TYR 61 1.733 -2.824 7.806 460 H CYS 62 H CYS 62 2.501 5.710 5.074 461 HA CYS 62 HA CYS 62 4.609 6.616 3.286 462 HB2 CYS 62 1HB CYS 62 2.321 8.107 4.596 463 HB3 CYS 62 2HB CYS 62 3.334 8.719 3.274 464 H ALA 63 H ALA 63 5.829 8.654 3.721 465 HA ALA 63 HA ALA 63 7.245 8.395 6.216 466 HB1 ALA 63 1HB ALA 63 7.281 10.656 4.181 467 HB2 ALA 63 2HB ALA 63 8.514 10.331 5.419 468 HB3 ALA 63 3HB ALA 63 8.261 9.174 4.089 469 H THR 64 H THR 64 4.397 10.109 5.323 470 HA THR 64 HA THR 64 4.413 11.518 7.957 471 HB THR 64 HB THR 64 2.720 13.088 6.841 472 HG1 THR 64 1HG THR 64 2.368 11.767 4.994 473 HG21 THR 64 1HG2 THR 64 5.065 13.691 7.328 474 HG22 THR 64 2HG2 THR 64 4.409 14.509 5.887 475 HG23 THR 64 3HG2 THR 64 5.521 13.130 5.696 476 HA PRO 65 HA PRO 65 0.937 9.008 8.628 477 HB2 PRO 65 1HB PRO 65 -0.701 10.422 10.267 478 HB3 PRO 65 2HB PRO 65 0.934 9.909 10.788 479 HG2 PRO 65 1HG PRO 65 0.033 12.540 9.693 480 HG3 PRO 65 2HG PRO 65 0.984 12.181 11.162 481 HD2 PRO 65 1HD PRO 65 2.124 12.923 8.793 482 HD3 PRO 65 2HD PRO 65 2.959 11.817 9.924 483 H ALA 66 H ALA 66 -1.590 9.015 8.623 484 HA ALA 66 HA ALA 66 -2.373 9.701 5.963 485 HB1 ALA 66 1HB ALA 66 -3.356 7.789 7.213 486 HB2 ALA 66 2HB ALA 66 -4.109 8.930 8.359 487 HB3 ALA 66 3HB ALA 66 -4.619 8.912 6.653 488 H LYS 67 H LYS 67 -3.249 11.464 5.133 489 HA LYS 67 HA LYS 67 -3.637 13.826 6.854 490 HB2 LYS 67 1HB LYS 67 -3.986 14.967 4.622 491 HB3 LYS 67 2HB LYS 67 -2.422 14.188 4.856 492 HG2 LYS 67 1HG LYS 67 -3.185 12.243 3.527 493 HG3 LYS 67 2HG LYS 67 -4.724 13.060 3.218 494 HD2 LYS 67 1HD LYS 67 -3.557 14.861 2.050 495 HD3 LYS 67 2HD LYS 67 -1.984 14.151 2.460 496 HE2 LYS 67 1HE LYS 67 -4.118 12.805 0.743 497 HE3 LYS 67 2HE LYS 67 -2.680 13.642 0.119 498 HZ1 LYS 67 1HZ LYS 67 -2.280 11.274 0.232 499 HZ2 LYS 67 2HZ LYS 67 -2.659 11.222 1.843 500 HZ3 LYS 67 3HZ LYS 67 -1.314 12.028 1.329 501 H SER 68 H SER 68 -5.438 11.882 7.486 502 HA SER 68 HA SER 68 -8.021 12.901 6.351 503 HB2 SER 68 1HB SER 68 -7.422 10.111 7.399 504 HB3 SER 68 2HB SER 68 -8.920 10.665 6.617 505 HG SER 68 HG SER 68 -7.667 11.058 4.726 506 H GLU 69 H GLU 69 -7.483 14.461 8.215 507 HA GLU 69 HA GLU 69 -7.973 15.350 10.243 508 HB2 GLU 69 1HB GLU 69 -10.027 13.111 10.579 509 HB3 GLU 69 2HB GLU 69 -9.929 14.589 11.530 510 HG2 GLU 69 1HG GLU 69 -10.255 15.934 9.401 511 HG3 GLU 69 2HG GLU 69 -10.505 14.422 8.523 Start of MODEL 19 1 HA ALA 1 HA ALA 1 -14.598 -15.725 -10.849 2 HB1 ALA 1 1HB ALA 1 -13.716 -14.678 -12.929 3 HB2 ALA 1 2HB ALA 1 -15.482 -14.799 -12.999 4 HB3 ALA 1 3HB ALA 1 -14.712 -13.242 -12.644 5 H TYR 2 H TYR 2 -12.438 -15.725 -10.572 6 HA TYR 2 HA TYR 2 -11.443 -13.983 -8.511 7 HB2 TYR 2 1HB TYR 2 -10.011 -15.952 -10.331 8 HB3 TYR 2 2HB TYR 2 -9.281 -15.153 -8.935 9 HD1 TYR 2 1HD TYR 2 -11.130 -18.028 -10.042 10 HD2 TYR 2 2HD TYR 2 -10.425 -15.518 -6.615 11 HE1 TYR 2 1HE TYR 2 -11.933 -19.850 -8.536 12 HE2 TYR 2 2HE TYR 2 -11.229 -17.350 -5.119 13 HH TYR 2 HH TYR 2 -12.309 -20.508 -6.385 14 H ARG 3 H ARG 3 -9.922 -12.412 -8.529 15 HA ARG 3 HA ARG 3 -9.391 -11.079 -11.134 16 HB2 ARG 3 1HB ARG 3 -8.696 -10.334 -8.260 17 HB3 ARG 3 2HB ARG 3 -8.397 -9.319 -9.675 18 HG2 ARG 3 1HG ARG 3 -10.835 -9.250 -10.113 19 HG3 ARG 3 2HG ARG 3 -11.110 -10.189 -8.629 20 HD2 ARG 3 1HD ARG 3 -10.060 -8.433 -7.296 21 HD3 ARG 3 2HD ARG 3 -9.708 -7.506 -8.773 22 HE ARG 3 HE ARG 3 -12.501 -8.105 -8.631 23 HH11 ARG 3 1HH1 ARG 3 -10.118 -5.993 -7.116 24 HH12 ARG 3 2HH1 ARG 3 -11.300 -4.768 -6.738 25 HH21 ARG 3 1HH2 ARG 3 -13.957 -6.503 -8.122 26 HH22 ARG 3 2HH2 ARG 3 -13.439 -5.058 -7.298 27 HA PRO 4 HA PRO 4 -5.343 -12.868 -11.456 28 HB2 PRO 4 1HB PRO 4 -4.308 -10.068 -11.894 29 HB3 PRO 4 2HB PRO 4 -4.063 -11.534 -12.891 30 HG2 PRO 4 1HG PRO 4 -5.722 -9.651 -13.704 31 HG3 PRO 4 2HG PRO 4 -6.191 -11.378 -13.836 32 HD2 PRO 4 1HD PRO 4 -7.019 -9.346 -11.759 33 HD3 PRO 4 2HD PRO 4 -8.017 -10.538 -12.662 34 H SER 5 H SER 5 -5.771 -9.977 -9.464 35 HA SER 5 HA SER 5 -3.862 -11.057 -7.488 36 HB2 SER 5 1HB SER 5 -3.872 -8.162 -8.429 37 HB3 SER 5 2HB SER 5 -2.841 -8.865 -7.168 38 HG SER 5 HG SER 5 -1.752 -8.704 -9.169 39 H GLU 6 H GLU 6 -5.403 -11.499 -5.991 40 HA GLU 6 HA GLU 6 -7.553 -9.580 -5.391 41 HB2 GLU 6 1HB GLU 6 -6.706 -12.115 -3.952 42 HB3 GLU 6 2HB GLU 6 -8.205 -11.224 -3.680 43 HG2 GLU 6 1HG GLU 6 -7.464 -12.493 -6.341 44 HG3 GLU 6 2HG GLU 6 -8.368 -13.334 -5.076 45 H THR 7 H THR 7 -4.314 -10.113 -4.527 46 HA THR 7 HA THR 7 -4.589 -8.344 -2.136 47 HB THR 7 HB THR 7 -2.469 -9.310 -1.308 48 HG1 THR 7 1HG THR 7 -1.597 -11.114 -2.374 49 HG21 THR 7 1HG2 THR 7 -4.379 -11.572 -2.000 50 HG22 THR 7 2HG2 THR 7 -4.664 -10.395 -0.696 51 HG23 THR 7 3HG2 THR 7 -3.260 -11.477 -0.621 52 H LEU 8 H LEU 8 -2.737 -6.794 -1.950 53 HA LEU 8 HA LEU 8 -2.258 -5.781 -4.668 54 HB2 LEU 8 1HB LEU 8 -3.154 -4.500 -2.631 55 HB3 LEU 8 2HB LEU 8 -1.507 -4.391 -2.101 56 HG LEU 8 HG LEU 8 -1.060 -2.707 -3.548 57 HD11 LEU 8 1HD1 LEU 8 -1.236 -3.932 -5.657 58 HD12 LEU 8 2HD1 LEU 8 -2.069 -2.377 -5.791 59 HD13 LEU 8 3HD1 LEU 8 -3.016 -3.863 -5.575 60 HD21 LEU 8 1HD2 LEU 8 -2.999 -1.994 -2.283 61 HD22 LEU 8 2HD2 LEU 8 -4.100 -2.733 -3.476 62 HD23 LEU 8 3HD2 LEU 8 -3.113 -1.336 -3.927 63 H CYS 9 H CYS 9 -0.667 -6.778 -5.588 64 HA CYS 9 HA CYS 9 2.031 -6.654 -4.363 65 HB2 CYS 9 1HB CYS 9 0.517 -8.840 -3.929 66 HB3 CYS 9 2HB CYS 9 1.159 -9.280 -5.514 67 H GLY 10 H GLY 10 3.409 -8.197 -6.133 68 HA2 GLY 10 1HA GLY 10 4.161 -8.403 -8.299 69 HA3 GLY 10 2HA GLY 10 2.502 -8.094 -8.820 70 H GLY 11 H GLY 11 4.336 -5.707 -6.977 71 HA2 GLY 11 1HA GLY 11 5.452 -3.794 -7.764 72 HA3 GLY 11 2HA GLY 11 5.049 -4.246 -9.426 73 H GLU 12 H GLU 12 2.110 -4.566 -8.731 74 HA GLU 12 HA GLU 12 1.310 -1.854 -9.217 75 HB2 GLU 12 1HB GLU 12 -0.022 -3.866 -9.842 76 HB3 GLU 12 2HB GLU 12 -0.354 -4.160 -8.131 77 HG2 GLU 12 1HG GLU 12 -2.259 -3.041 -9.178 78 HG3 GLU 12 2HG GLU 12 -1.516 -1.981 -7.976 79 H LEU 13 H LEU 13 1.989 -3.670 -6.325 80 HA LEU 13 HA LEU 13 0.666 -2.075 -4.395 81 HB2 LEU 13 1HB LEU 13 1.831 -4.186 -3.908 82 HB3 LEU 13 2HB LEU 13 3.385 -3.442 -4.287 83 HG LEU 13 HG LEU 13 3.199 -1.959 -2.360 84 HD11 LEU 13 1HD1 LEU 13 1.379 -2.273 -0.707 85 HD12 LEU 13 2HD1 LEU 13 0.552 -3.358 -1.843 86 HD13 LEU 13 3HD1 LEU 13 0.779 -1.638 -2.243 87 HD21 LEU 13 1HD2 LEU 13 2.646 -4.882 -1.752 88 HD22 LEU 13 2HD2 LEU 13 3.312 -3.698 -0.606 89 HD23 LEU 13 3HD2 LEU 13 4.232 -4.127 -2.059 90 H VAL 14 H VAL 14 3.801 -1.599 -6.106 91 HA VAL 14 HA VAL 14 4.607 0.706 -4.572 92 HB VAL 14 HB VAL 14 5.409 -0.152 -7.398 93 HG11 VAL 14 1HG1 VAL 14 6.686 1.832 -5.476 94 HG12 VAL 14 2HG1 VAL 14 7.446 1.233 -6.973 95 HG13 VAL 14 3HG1 VAL 14 5.955 2.194 -7.058 96 HG21 VAL 14 1HG2 VAL 14 6.786 -0.674 -4.728 97 HG22 VAL 14 2HG2 VAL 14 5.933 -1.887 -5.712 98 HG23 VAL 14 3HG2 VAL 14 7.409 -1.127 -6.331 99 H ASP 15 H ASP 15 2.828 0.174 -7.607 100 HA ASP 15 HA ASP 15 2.625 2.911 -8.379 101 HB2 ASP 15 1HB ASP 15 2.096 0.881 -9.780 102 HB3 ASP 15 2HB ASP 15 0.617 0.683 -8.832 103 H THR 16 H THR 16 0.638 0.827 -6.282 104 HA THR 16 HA THR 16 -1.384 2.773 -5.753 105 HB THR 16 HB THR 16 -0.443 0.583 -3.848 106 HG1 THR 16 1HG THR 16 -0.917 -0.139 -6.048 107 HG21 THR 16 1HG2 THR 16 -3.147 1.888 -4.325 108 HG22 THR 16 2HG2 THR 16 -2.057 2.228 -2.955 109 HG23 THR 16 3HG2 THR 16 -2.767 0.621 -3.139 110 H LEU 17 H LEU 17 1.695 2.014 -4.072 111 HA LEU 17 HA LEU 17 1.309 3.799 -1.865 112 HB2 LEU 17 1HB LEU 17 3.734 2.684 -3.283 113 HB3 LEU 17 2HB LEU 17 3.903 3.834 -1.964 114 HG LEU 17 HG LEU 17 2.185 1.443 -1.444 115 HD11 LEU 17 1HD1 LEU 17 4.140 0.106 -0.844 116 HD12 LEU 17 2HD1 LEU 17 5.189 1.316 -1.626 117 HD13 LEU 17 3HD1 LEU 17 3.990 0.406 -2.577 118 HD21 LEU 17 1HD2 LEU 17 3.133 1.659 0.774 119 HD22 LEU 17 2HD2 LEU 17 2.619 3.267 0.229 120 HD23 LEU 17 3HD2 LEU 17 4.344 2.822 0.200 121 H GLN 18 H GLN 18 2.537 4.274 -5.179 122 HA GLN 18 HA GLN 18 3.317 7.033 -4.785 123 HB2 GLN 18 1HB GLN 18 2.680 5.405 -7.255 124 HB3 GLN 18 2HB GLN 18 3.275 7.070 -7.311 125 HG2 GLN 18 1HG GLN 18 5.334 6.439 -6.192 126 HG3 GLN 18 2HG GLN 18 4.756 4.795 -5.946 127 HE21 GLN 18 1HE2 GLN 18 4.927 4.449 -9.740 128 HE22 GLN 18 2HE2 GLN 18 3.553 4.697 -8.695 129 H PHE 19 H PHE 19 0.290 5.413 -5.747 130 HA PHE 19 HA PHE 19 -1.049 7.866 -6.508 131 HB2 PHE 19 1HB PHE 19 -1.732 5.665 -7.346 132 HB3 PHE 19 2HB PHE 19 -2.108 5.133 -5.706 133 HD1 PHE 19 1HD PHE 19 -3.140 7.476 -8.411 134 HD2 PHE 19 2HD PHE 19 -4.185 5.663 -4.652 135 HE1 PHE 19 1HE PHE 19 -5.465 8.348 -8.642 136 HE2 PHE 19 2HE PHE 19 -6.510 6.525 -4.872 137 HZ PHE 19 HZ PHE 19 -7.153 7.882 -6.865 138 H VAL 20 H VAL 20 -1.187 5.825 -3.541 139 HA VAL 20 HA VAL 20 -3.184 7.509 -2.324 140 HB VAL 20 HB VAL 20 -2.814 5.027 -1.874 141 HG11 VAL 20 1HG1 VAL 20 -1.177 4.268 -0.349 142 HG12 VAL 20 2HG1 VAL 20 -0.306 5.250 -1.534 143 HG13 VAL 20 3HG1 VAL 20 -0.666 5.910 0.074 144 HG21 VAL 20 1HG2 VAL 20 -2.871 6.803 0.596 145 HG22 VAL 20 2HG2 VAL 20 -4.268 6.411 -0.432 146 HG23 VAL 20 3HG2 VAL 20 -3.453 5.124 0.489 147 H CYS 21 H CYS 21 0.312 7.574 -2.302 148 HA CYS 21 HA CYS 21 0.186 9.857 -0.377 149 HB2 CYS 21 1HB CYS 21 2.010 7.455 -0.384 150 HB3 CYS 21 2HB CYS 21 2.486 8.972 0.392 151 H GLY 22 H GLY 22 2.426 8.247 -2.723 152 HA2 GLY 22 1HA GLY 22 3.818 9.214 -4.285 153 HA3 GLY 22 2HA GLY 22 2.605 10.486 -4.382 154 H ASP 23 H ASP 23 3.032 12.493 -3.630 155 HA ASP 23 HA ASP 23 5.806 13.140 -3.164 156 HB2 ASP 23 1HB ASP 23 5.194 15.317 -3.474 157 HB3 ASP 23 2HB ASP 23 3.832 14.521 -4.277 158 H ARG 24 H ARG 24 3.262 12.179 -1.087 159 HA ARG 24 HA ARG 24 4.203 13.495 1.339 160 HB2 ARG 24 1HB ARG 24 2.667 10.902 0.956 161 HB3 ARG 24 2HB ARG 24 2.862 11.732 2.487 162 HG2 ARG 24 1HG ARG 24 1.354 12.817 0.071 163 HG3 ARG 24 2HG ARG 24 0.631 12.082 1.509 164 HD2 ARG 24 1HD ARG 24 0.446 14.248 2.134 165 HD3 ARG 24 2HD ARG 24 2.094 13.961 2.727 166 HE ARG 24 HE ARG 24 2.095 14.853 -0.038 167 HH11 ARG 24 1HH1 ARG 24 1.763 16.059 3.265 168 HH12 ARG 24 2HH1 ARG 24 2.318 17.657 2.835 169 HH21 ARG 24 1HH2 ARG 24 2.828 16.888 -0.506 170 HH22 ARG 24 2HH2 ARG 24 2.897 18.117 0.738 171 H GLY 25 H GLY 25 5.378 11.001 -0.659 172 HA2 GLY 25 1HA GLY 25 7.334 9.778 -0.471 173 HA3 GLY 25 2HA GLY 25 7.565 10.391 1.180 174 H PHE 26 H PHE 26 7.905 7.615 0.350 175 HA PHE 26 HA PHE 26 6.229 6.432 2.394 176 HB2 PHE 26 1HB PHE 26 5.211 4.715 0.966 177 HB3 PHE 26 2HB PHE 26 4.643 6.323 0.532 178 HD1 PHE 26 1HD PHE 26 6.767 3.476 -0.546 179 HD2 PHE 26 2HD PHE 26 5.137 7.312 -1.622 180 HE1 PHE 26 1HE PHE 26 7.403 3.078 -2.917 181 HE2 PHE 26 2HE PHE 26 5.786 6.934 -3.983 182 HZ PHE 26 HZ PHE 26 6.910 4.808 -4.639 183 H TYR 27 H TYR 27 6.777 4.192 2.830 184 HA TYR 27 HA TYR 27 9.446 3.417 1.725 185 HB2 TYR 27 1HB TYR 27 8.560 3.234 4.630 186 HB3 TYR 27 2HB TYR 27 10.124 2.735 3.973 187 HD1 TYR 27 1HD TYR 27 11.324 4.776 2.540 188 HD2 TYR 27 2HD TYR 27 8.537 5.266 5.787 189 HE1 TYR 27 1HE TYR 27 12.200 7.071 2.955 190 HE2 TYR 27 2HE TYR 27 9.445 7.550 6.210 191 HH TYR 27 HH TYR 27 12.043 8.966 4.213 192 H PHE 28 H PHE 28 9.846 1.073 2.029 193 HA PHE 28 HA PHE 28 7.322 -0.448 1.678 194 HB2 PHE 28 1HB PHE 28 9.981 -0.596 0.609 195 HB3 PHE 28 2HB PHE 28 9.698 -2.073 1.532 196 HD1 PHE 28 1HD PHE 28 9.168 -3.834 0.121 197 HD2 PHE 28 2HD PHE 28 7.466 0.041 -0.688 198 HE1 PHE 28 1HE PHE 28 7.909 -4.787 -1.803 199 HE2 PHE 28 2HE PHE 28 6.192 -0.918 -2.593 200 HZ PHE 28 HZ PHE 28 6.412 -3.329 -3.159 201 H SER 29 H SER 29 10.367 -0.560 3.561 202 HA SER 29 HA SER 29 9.195 -2.332 5.597 203 HB2 SER 29 1HB SER 29 11.413 -1.815 6.731 204 HB3 SER 29 2HB SER 29 11.557 -2.586 5.143 205 HG SER 29 HG SER 29 11.856 0.193 5.727 206 H ARG 30 H ARG 30 8.792 -1.534 7.776 207 HA ARG 30 HA ARG 30 7.617 1.017 7.838 208 HB2 ARG 30 1HB ARG 30 8.513 -0.518 10.264 209 HB3 ARG 30 2HB ARG 30 7.284 0.742 10.196 210 HG2 ARG 30 1HG ARG 30 6.407 -1.127 8.314 211 HG3 ARG 30 2HG ARG 30 7.102 -2.127 9.602 212 HD2 ARG 30 1HD ARG 30 4.783 -1.818 10.093 213 HD3 ARG 30 2HD ARG 30 5.691 -0.820 11.247 214 HE ARG 30 HE ARG 30 5.231 1.071 9.523 215 HH11 ARG 30 1HH1 ARG 30 2.915 -1.535 10.164 216 HH12 ARG 30 2HH1 ARG 30 1.564 -0.545 9.679 217 HH21 ARG 30 1HH2 ARG 30 3.454 2.241 8.935 218 HH22 ARG 30 2HH2 ARG 30 1.865 1.522 8.988 219 HA PRO 31 HA PRO 31 11.404 2.936 9.810 220 HB2 PRO 31 1HB PRO 31 13.827 1.682 9.635 221 HB3 PRO 31 2HB PRO 31 12.706 1.398 11.008 222 HG2 PRO 31 1HG PRO 31 13.083 -0.249 8.505 223 HG3 PRO 31 2HG PRO 31 13.060 -0.790 10.215 224 HD2 PRO 31 1HD PRO 31 10.866 -0.945 8.621 225 HD3 PRO 31 2HD PRO 31 10.735 -0.568 10.363 226 H ALA 32 H ALA 32 12.498 4.446 8.570 227 HA ALA 32 HA ALA 32 12.348 4.289 5.727 228 HB1 ALA 32 1HB ALA 32 13.999 6.155 7.485 229 HB2 ALA 32 2HB ALA 32 13.558 6.426 5.787 230 HB3 ALA 32 3HB ALA 32 12.290 6.400 7.036 231 H SER 33 H SER 33 14.824 3.390 7.986 232 HA SER 33 HA SER 33 16.925 2.526 7.797 233 HB2 SER 33 1HB SER 33 15.685 0.983 6.189 234 HB3 SER 33 2HB SER 33 16.335 1.973 4.871 235 HG SER 33 HG SER 33 17.566 0.030 5.563 236 H ARG 34 H ARG 34 18.809 2.577 5.738 237 HA ARG 34 HA ARG 34 19.126 5.414 4.934 238 HB2 ARG 34 1HB ARG 34 20.037 5.124 7.266 239 HB3 ARG 34 2HB ARG 34 21.270 4.057 6.585 240 HG2 ARG 34 1HG ARG 34 22.315 5.802 5.426 241 HG3 ARG 34 2HG ARG 34 20.848 6.802 5.396 242 HD2 ARG 34 1HD ARG 34 22.242 6.116 7.968 243 HD3 ARG 34 2HD ARG 34 22.750 7.493 6.976 244 HE ARG 34 HE ARG 34 20.258 7.226 8.523 245 HH11 ARG 34 1HH1 ARG 34 22.034 9.164 6.157 246 HH12 ARG 34 2HH1 ARG 34 21.032 10.564 6.423 247 HH21 ARG 34 1HH2 ARG 34 19.015 9.047 8.782 248 HH22 ARG 34 2HH2 ARG 34 19.357 10.496 7.877 249 H VAL 35 H VAL 35 18.531 3.597 3.168 250 HA VAL 35 HA VAL 35 21.082 2.917 1.817 251 HB VAL 35 HB VAL 35 19.910 0.876 0.882 252 HG11 VAL 35 1HG1 VAL 35 20.261 0.825 3.893 253 HG12 VAL 35 2HG1 VAL 35 20.305 -0.570 2.788 254 HG13 VAL 35 3HG1 VAL 35 21.560 0.680 2.686 255 HG21 VAL 35 1HG2 VAL 35 17.567 1.557 1.388 256 HG22 VAL 35 2HG2 VAL 35 17.946 -0.050 2.032 257 HG23 VAL 35 3HG2 VAL 35 17.890 1.347 3.126 258 H SER 36 H SER 36 20.516 2.492 -0.501 259 HA SER 36 HA SER 36 18.381 4.361 -1.430 260 HB2 SER 36 1HB SER 36 20.788 5.030 -1.883 261 HB3 SER 36 2HB SER 36 20.935 3.570 -2.882 262 HG SER 36 HG SER 36 19.435 5.911 -3.320 263 H ARG 37 H ARG 37 18.723 3.308 -4.148 264 HA ARG 37 HA ARG 37 17.811 1.798 -5.525 265 HB2 ARG 37 1HB ARG 37 18.290 -0.461 -3.664 266 HB3 ARG 37 2HB ARG 37 18.556 -0.321 -5.396 267 HG2 ARG 37 1HG ARG 37 20.601 1.091 -4.900 268 HG3 ARG 37 2HG ARG 37 20.361 0.711 -3.175 269 HD2 ARG 37 1HD ARG 37 20.439 -1.728 -3.773 270 HD3 ARG 37 2HD ARG 37 20.901 -1.272 -5.419 271 HE ARG 37 HE ARG 37 22.542 -1.124 -2.977 272 HH11 ARG 37 1HH1 ARG 37 22.338 -0.232 -6.394 273 HH12 ARG 37 2HH1 ARG 37 24.055 0.038 -6.513 274 HH21 ARG 37 1HH2 ARG 37 24.719 -0.764 -3.221 275 HH22 ARG 37 2HH2 ARG 37 25.371 -0.257 -4.753 276 H ARG 38 H ARG 38 16.231 -0.312 -5.468 277 HA ARG 38 HA ARG 38 14.065 0.262 -3.475 278 HB2 ARG 38 1HB ARG 38 13.764 -0.289 -6.453 279 HB3 ARG 38 2HB ARG 38 12.445 -0.402 -5.281 280 HG2 ARG 38 1HG ARG 38 12.926 2.013 -4.650 281 HG3 ARG 38 2HG ARG 38 13.964 2.090 -6.090 282 HD2 ARG 38 1HD ARG 38 12.042 1.404 -7.498 283 HD3 ARG 38 2HD ARG 38 11.014 1.311 -6.063 284 HE ARG 38 HE ARG 38 11.871 3.719 -7.491 285 HH11 ARG 38 1HH1 ARG 38 10.454 2.516 -4.479 286 HH12 ARG 38 2HH1 ARG 38 9.724 4.056 -4.108 287 HH21 ARG 38 1HH2 ARG 38 10.911 5.643 -6.935 288 HH22 ARG 38 2HH2 ARG 38 9.982 5.782 -5.468 289 H SER 39 H SER 39 15.969 -1.480 -2.853 290 HA SER 39 HA SER 39 15.696 -4.148 -3.785 291 HB2 SER 39 1HB SER 39 16.401 -3.189 -0.982 292 HB3 SER 39 2HB SER 39 16.843 -4.746 -1.717 293 HG SER 39 HG SER 39 18.555 -3.251 -1.836 294 HA PRO 40 HA PRO 40 11.807 -5.248 -2.034 295 HB2 PRO 40 1HB PRO 40 12.121 -7.921 -1.472 296 HB3 PRO 40 2HB PRO 40 11.959 -7.296 -3.145 297 HG2 PRO 40 1HG PRO 40 14.479 -7.930 -1.611 298 HG3 PRO 40 2HG PRO 40 13.988 -8.484 -3.246 299 HD2 PRO 40 1HD PRO 40 15.640 -6.413 -2.944 300 HD3 PRO 40 2HD PRO 40 14.341 -6.366 -4.187 301 H GLN 41 H GLN 41 10.793 -5.577 -0.012 302 HA GLN 41 HA GLN 41 12.481 -6.068 2.356 303 HB2 GLN 41 1HB GLN 41 11.547 -3.420 1.455 304 HB3 GLN 41 2HB GLN 41 11.019 -3.809 3.091 305 HG2 GLN 41 1HG GLN 41 13.902 -3.879 2.126 306 HG3 GLN 41 2HG GLN 41 13.153 -2.546 3.017 307 HE21 GLN 41 1HE2 GLN 41 15.009 -4.583 5.463 308 HE22 GLN 41 2HE2 GLN 41 15.384 -3.630 4.046 309 H ARG 42 H ARG 42 11.137 -6.074 4.331 310 HA ARG 42 HA ARG 42 8.515 -7.385 3.819 311 HB2 ARG 42 1HB ARG 42 10.375 -7.073 6.197 312 HB3 ARG 42 2HB ARG 42 8.719 -7.624 6.406 313 HG2 ARG 42 1HG ARG 42 9.104 -9.483 4.847 314 HG3 ARG 42 2HG ARG 42 10.795 -8.975 4.681 315 HD2 ARG 42 1HD ARG 42 11.138 -9.323 7.098 316 HD3 ARG 42 2HD ARG 42 9.449 -9.817 7.280 317 HE ARG 42 HE ARG 42 11.635 -11.345 6.019 318 HH11 ARG 42 1HH1 ARG 42 8.165 -11.246 6.794 319 HH12 ARG 42 2HH1 ARG 42 7.982 -12.953 6.455 320 HH21 ARG 42 1HH2 ARG 42 11.284 -13.498 5.629 321 HH22 ARG 42 2HH2 ARG 42 9.696 -14.190 5.826 322 H GLY 43 H GLY 43 7.079 -6.567 6.128 323 HA2 GLY 43 1HA GLY 43 6.146 -4.637 7.112 324 HA3 GLY 43 2HA GLY 43 7.005 -3.603 5.957 325 H ILE 44 H ILE 44 5.979 -2.946 4.096 326 HA ILE 44 HA ILE 44 3.146 -3.086 4.033 327 HB ILE 44 HB ILE 44 4.568 -1.297 2.960 328 HG12 ILE 44 1HG1 ILE 44 3.283 -1.268 0.699 329 HG13 ILE 44 2HG1 ILE 44 2.466 -2.702 1.296 330 HG21 ILE 44 1HG2 ILE 44 5.561 -1.645 0.766 331 HG22 ILE 44 2HG2 ILE 44 6.258 -2.805 1.908 332 HG23 ILE 44 3HG2 ILE 44 5.034 -3.337 0.737 333 HD11 ILE 44 1HD1 ILE 44 2.484 0.005 2.643 334 HD12 ILE 44 2HD1 ILE 44 1.185 -0.670 1.647 335 HD13 ILE 44 3HD1 ILE 44 1.591 -1.440 3.198 336 H VAL 45 H VAL 45 5.544 -5.220 2.530 337 HA VAL 45 HA VAL 45 3.728 -6.492 0.707 338 HB VAL 45 HB VAL 45 6.279 -7.591 1.998 339 HG11 VAL 45 1HG1 VAL 45 4.835 -8.432 -0.562 340 HG12 VAL 45 2HG1 VAL 45 6.397 -9.064 0.004 341 HG13 VAL 45 3HG1 VAL 45 4.926 -9.379 0.940 342 HG21 VAL 45 1HG2 VAL 45 5.842 -6.027 -0.580 343 HG22 VAL 45 2HG2 VAL 45 6.767 -5.504 0.850 344 HG23 VAL 45 3HG2 VAL 45 7.358 -6.846 -0.140 345 H GLU 46 H GLU 46 4.564 -7.041 4.119 346 HA GLU 46 HA GLU 46 3.314 -9.636 4.204 347 HB2 GLU 46 1HB GLU 46 4.083 -7.689 6.396 348 HB3 GLU 46 2HB GLU 46 3.581 -9.369 6.663 349 HG2 GLU 46 1HG GLU 46 5.501 -10.203 5.438 350 HG3 GLU 46 2HG GLU 46 5.951 -8.570 4.930 351 H GLU 47 H GLU 47 2.262 -6.320 4.953 352 HA GLU 47 HA GLU 47 -0.315 -7.283 5.908 353 HB2 GLU 47 1HB GLU 47 1.196 -4.823 5.901 354 HB3 GLU 47 2HB GLU 47 -0.474 -4.529 5.396 355 HG2 GLU 47 1HG GLU 47 -0.355 -4.292 7.793 356 HG3 GLU 47 2HG GLU 47 -1.268 -5.759 7.406 357 H CYS 48 H CYS 48 0.873 -6.045 2.794 358 HA CYS 48 HA CYS 48 -1.968 -5.932 1.887 359 HB2 CYS 48 1HB CYS 48 0.533 -4.671 0.758 360 HB3 CYS 48 2HB CYS 48 -1.066 -4.577 0.014 361 H CYS 49 H CYS 49 0.883 -7.865 1.384 362 HA CYS 49 HA CYS 49 -0.341 -8.918 -1.145 363 HB2 CYS 49 1HB CYS 49 1.838 -7.931 -1.530 364 HB3 CYS 49 2HB CYS 49 2.544 -8.895 -0.237 365 H PHE 50 H PHE 50 1.388 -9.928 1.862 366 HA PHE 50 HA PHE 50 0.633 -12.741 1.357 367 HB2 PHE 50 1HB PHE 50 1.844 -11.439 3.824 368 HB3 PHE 50 2HB PHE 50 1.673 -13.173 3.543 369 HD1 PHE 50 1HD PHE 50 2.496 -13.007 0.480 370 HD2 PHE 50 2HD PHE 50 4.238 -11.507 4.123 371 HE1 PHE 50 1HE PHE 50 4.734 -13.014 -0.591 372 HE2 PHE 50 2HE PHE 50 6.484 -11.519 3.057 373 HZ PHE 50 HZ PHE 50 6.738 -12.275 0.694 374 H ARG 51 H ARG 51 -0.667 -9.943 2.711 375 HA ARG 51 HA ARG 51 -3.071 -11.443 3.655 376 HB2 ARG 51 1HB ARG 51 -1.844 -8.911 4.830 377 HB3 ARG 51 2HB ARG 51 -3.455 -9.504 5.228 378 HG2 ARG 51 1HG ARG 51 -2.512 -11.477 6.248 379 HG3 ARG 51 2HG ARG 51 -0.875 -10.968 5.774 380 HD2 ARG 51 1HD ARG 51 -1.161 -10.286 8.056 381 HD3 ARG 51 2HD ARG 51 -1.269 -8.826 7.052 382 HE ARG 51 HE ARG 51 -3.867 -9.971 7.484 383 HH11 ARG 51 1HH1 ARG 51 -1.427 -7.968 9.110 384 HH12 ARG 51 2HH1 ARG 51 -2.622 -7.258 10.165 385 HH21 ARG 51 1HH2 ARG 51 -5.306 -8.980 8.844 386 HH22 ARG 51 2HH2 ARG 51 -4.766 -7.802 10.005 387 H SER 52 H SER 52 -4.507 -8.950 3.852 388 HA SER 52 HA SER 52 -4.018 -7.582 1.268 389 HB2 SER 52 1HB SER 52 -5.820 -9.323 0.880 390 HB3 SER 52 2HB SER 52 -6.797 -8.504 2.116 391 HG SER 52 HG SER 52 -6.888 -7.928 -0.336 392 H CYS 53 H CYS 53 -4.848 -5.387 1.386 393 HA CYS 53 HA CYS 53 -5.426 -4.512 4.169 394 HB2 CYS 53 1HB CYS 53 -3.678 -2.860 4.053 395 HB3 CYS 53 2HB CYS 53 -2.969 -4.439 3.707 396 H ASP 54 H ASP 54 -6.054 -2.253 4.311 397 HA ASP 54 HA ASP 54 -7.626 -1.376 1.932 398 HB2 ASP 54 1HB ASP 54 -8.865 -1.572 4.074 399 HB3 ASP 54 2HB ASP 54 -7.691 -0.487 4.843 400 H LEU 55 H LEU 55 -7.525 0.967 1.457 401 HA LEU 55 HA LEU 55 -4.846 1.894 1.199 402 HB2 LEU 55 1HB LEU 55 -5.820 3.966 0.423 403 HB3 LEU 55 2HB LEU 55 -6.645 2.582 -0.280 404 HG LEU 55 HG LEU 55 -8.209 3.209 1.948 405 HD11 LEU 55 1HD1 LEU 55 -6.964 5.339 2.208 406 HD12 LEU 55 2HD1 LEU 55 -8.657 5.611 1.752 407 HD13 LEU 55 3HD1 LEU 55 -7.372 5.774 0.531 408 HD21 LEU 55 1HD2 LEU 55 -9.021 2.498 -0.245 409 HD22 LEU 55 2HD2 LEU 55 -8.528 4.059 -0.953 410 HD23 LEU 55 3HD2 LEU 55 -9.826 3.993 0.263 411 H ALA 56 H ALA 56 -7.237 2.424 3.794 412 HA ALA 56 HA ALA 56 -5.864 4.627 5.010 413 HB1 ALA 56 1HB ALA 56 -7.586 2.466 6.296 414 HB2 ALA 56 2HB ALA 56 -7.167 4.042 7.015 415 HB3 ALA 56 3HB ALA 56 -8.192 3.968 5.560 416 H LEU 57 H LEU 57 -5.600 1.089 5.430 417 HA LEU 57 HA LEU 57 -3.655 1.236 7.558 418 HB2 LEU 57 1HB LEU 57 -5.079 -0.744 7.094 419 HB3 LEU 57 2HB LEU 57 -4.239 -0.989 5.561 420 HG LEU 57 HG LEU 57 -2.501 -0.790 7.953 421 HD11 LEU 57 1HD1 LEU 57 -2.969 -3.098 8.690 422 HD12 LEU 57 2HD1 LEU 57 -4.329 -3.183 7.545 423 HD13 LEU 57 3HD1 LEU 57 -4.377 -2.035 8.906 424 HD21 LEU 57 1HD2 LEU 57 -1.216 -2.471 6.893 425 HD22 LEU 57 2HD2 LEU 57 -1.757 -1.415 5.581 426 HD23 LEU 57 3HD2 LEU 57 -2.563 -2.975 5.858 427 H LEU 58 H LEU 58 -3.539 0.896 4.035 428 HA LEU 58 HA LEU 58 -0.765 0.473 3.713 429 HB2 LEU 58 1HB LEU 58 -2.762 0.377 2.091 430 HB3 LEU 58 2HB LEU 58 -2.574 2.107 1.918 431 HG LEU 58 HG LEU 58 -0.667 -0.047 1.016 432 HD11 LEU 58 1HD1 LEU 58 -2.303 2.048 -0.395 433 HD12 LEU 58 2HD1 LEU 58 -2.691 0.307 -0.276 434 HD13 LEU 58 3HD1 LEU 58 -1.238 0.834 -1.155 435 HD21 LEU 58 1HD2 LEU 58 0.804 1.702 1.598 436 HD22 LEU 58 2HD2 LEU 58 -0.327 2.952 1.054 437 HD23 LEU 58 3HD2 LEU 58 0.494 1.918 -0.131 438 H GLU 59 H GLU 59 -2.665 3.490 3.918 439 HA GLU 59 HA GLU 59 -0.646 5.333 3.303 440 HB2 GLU 59 1HB GLU 59 -3.082 5.785 3.536 441 HB3 GLU 59 2HB GLU 59 -2.928 5.628 5.287 442 HG2 GLU 59 1HG GLU 59 -1.461 7.593 5.358 443 HG3 GLU 59 2HG GLU 59 -1.534 7.723 3.596 444 H THR 60 H THR 60 -1.027 3.475 6.273 445 HA THR 60 HA THR 60 0.450 5.282 7.945 446 HB THR 60 HB THR 60 0.560 3.509 9.568 447 HG1 THR 60 1HG THR 60 -0.418 1.731 7.552 448 HG21 THR 60 1HG2 THR 60 -1.788 2.941 9.769 449 HG22 THR 60 2HG2 THR 60 -2.059 3.205 8.034 450 HG23 THR 60 3HG2 THR 60 -1.678 4.582 9.091 451 H TYR 61 H TYR 61 1.531 3.222 5.414 452 HA TYR 61 HA TYR 61 4.267 2.953 6.533 453 HB2 TYR 61 1HB TYR 61 3.022 2.065 3.909 454 HB3 TYR 61 2HB TYR 61 4.709 1.786 4.358 455 HD1 TYR 61 1HD TYR 61 1.178 0.994 5.366 456 HD2 TYR 61 2HD TYR 61 5.332 -0.081 5.727 457 HE1 TYR 61 1HE TYR 61 0.536 -1.089 6.535 458 HE2 TYR 61 2HE TYR 61 4.658 -2.190 6.907 459 HH TYR 61 HH TYR 61 2.823 -3.576 7.526 460 H CYS 62 H CYS 62 2.575 5.434 5.186 461 HA CYS 62 HA CYS 62 4.545 6.315 3.243 462 HB2 CYS 62 1HB CYS 62 2.209 7.762 4.498 463 HB3 CYS 62 2HB CYS 62 3.193 8.359 3.145 464 H ALA 63 H ALA 63 5.705 8.372 3.417 465 HA ALA 63 HA ALA 63 7.293 8.269 5.829 466 HB1 ALA 63 1HB ALA 63 8.647 9.992 4.742 467 HB2 ALA 63 2HB ALA 63 8.247 8.703 3.585 468 HB3 ALA 63 3HB ALA 63 7.380 10.257 3.526 469 H THR 64 H THR 64 4.670 10.349 4.722 470 HA THR 64 HA THR 64 4.884 11.742 7.343 471 HB THR 64 HB THR 64 3.832 13.761 6.282 472 HG1 THR 64 1HG THR 64 4.671 12.497 3.853 473 HG21 THR 64 1HG2 THR 64 6.256 13.618 6.762 474 HG22 THR 64 2HG2 THR 64 5.896 14.628 5.339 475 HG23 THR 64 3HG2 THR 64 6.529 12.982 5.120 476 HA PRO 65 HA PRO 65 0.845 10.237 7.748 477 HB2 PRO 65 1HB PRO 65 -0.114 11.653 9.826 478 HB3 PRO 65 2HB PRO 65 1.367 10.660 10.007 479 HG2 PRO 65 1HG PRO 65 1.107 13.601 9.453 480 HG3 PRO 65 2HG PRO 65 2.065 12.772 10.705 481 HD2 PRO 65 1HD PRO 65 3.113 13.591 8.322 482 HD3 PRO 65 2HD PRO 65 3.736 12.160 9.211 483 H ALA 66 H ALA 66 -1.486 10.878 8.074 484 HA ALA 66 HA ALA 66 -2.333 12.750 6.014 485 HB1 ALA 66 1HB ALA 66 -4.617 12.109 6.773 486 HB2 ALA 66 2HB ALA 66 -3.607 10.681 6.459 487 HB3 ALA 66 3HB ALA 66 -3.909 11.207 8.132 488 H LYS 67 H LYS 67 -1.835 14.849 6.507 489 HA LYS 67 HA LYS 67 -2.115 15.875 9.235 490 HB2 LYS 67 1HB LYS 67 -1.500 17.258 6.597 491 HB3 LYS 67 2HB LYS 67 -1.510 18.051 8.177 492 HG2 LYS 67 1HG LYS 67 0.310 16.515 8.935 493 HG3 LYS 67 2HG LYS 67 0.342 15.799 7.313 494 HD2 LYS 67 1HD LYS 67 2.108 17.406 7.360 495 HD3 LYS 67 2HD LYS 67 0.800 18.126 6.399 496 HE2 LYS 67 1HE LYS 67 0.052 19.370 8.458 497 HE3 LYS 67 2HE LYS 67 1.455 18.721 9.320 498 HZ1 LYS 67 1HZ LYS 67 1.862 20.939 8.461 499 HZ2 LYS 67 2HZ LYS 67 1.555 20.452 6.917 500 HZ3 LYS 67 3HZ LYS 67 2.870 19.863 7.719 501 H SER 68 H SER 68 -4.418 15.287 9.419 502 HA SER 68 HA SER 68 -6.365 16.855 7.904 503 HB2 SER 68 1HB SER 68 -6.900 14.610 8.783 504 HB3 SER 68 2HB SER 68 -6.658 15.194 10.442 505 HG SER 68 HG SER 68 -8.408 16.543 10.208 506 H GLU 69 H GLU 69 -5.271 18.918 8.350 507 HA GLU 69 HA GLU 69 -6.583 20.340 10.538 508 HB2 GLU 69 1HB GLU 69 -4.495 21.309 11.512 509 HB3 GLU 69 2HB GLU 69 -4.673 19.595 11.808 510 HG2 GLU 69 1HG GLU 69 -2.399 19.777 11.248 511 HG3 GLU 69 2HG GLU 69 -3.117 19.169 9.770 Start of MODEL 20 1 HA ALA 1 HA ALA 1 -15.853 -9.789 -12.682 2 HB1 ALA 1 1HB ALA 1 -14.101 -8.086 -13.187 3 HB2 ALA 1 2HB ALA 1 -15.506 -7.876 -14.247 4 HB3 ALA 1 3HB ALA 1 -15.260 -6.787 -12.868 5 H TYR 2 H TYR 2 -14.218 -10.298 -11.361 6 HA TYR 2 HA TYR 2 -14.451 -9.302 -8.564 7 HB2 TYR 2 1HB TYR 2 -12.891 -11.316 -8.163 8 HB3 TYR 2 2HB TYR 2 -14.567 -11.651 -8.606 9 HD1 TYR 2 1HD TYR 2 -15.120 -12.911 -10.562 10 HD2 TYR 2 2HD TYR 2 -11.082 -11.511 -10.008 11 HE1 TYR 2 1HE TYR 2 -14.366 -14.294 -12.498 12 HE2 TYR 2 2HE TYR 2 -10.345 -12.900 -11.943 13 HH TYR 2 HH TYR 2 -10.978 -14.349 -13.599 14 H ARG 3 H ARG 3 -12.462 -8.814 -7.388 15 HA ARG 3 HA ARG 3 -10.746 -7.113 -8.864 16 HB2 ARG 3 1HB ARG 3 -9.652 -6.619 -6.871 17 HB3 ARG 3 2HB ARG 3 -11.304 -6.943 -6.389 18 HG2 ARG 3 1HG ARG 3 -9.049 -8.930 -6.181 19 HG3 ARG 3 2HG ARG 3 -9.531 -7.839 -4.889 20 HD2 ARG 3 1HD ARG 3 -10.967 -9.402 -4.183 21 HD3 ARG 3 2HD ARG 3 -11.923 -9.123 -5.642 22 HE ARG 3 HE ARG 3 -10.226 -10.838 -6.683 23 HH11 ARG 3 1HH1 ARG 3 -11.507 -11.051 -3.363 24 HH12 ARG 3 2HH1 ARG 3 -11.331 -12.781 -3.332 25 HH21 ARG 3 1HH2 ARG 3 -10.023 -13.033 -6.518 26 HH22 ARG 3 2HH2 ARG 3 -10.503 -13.875 -5.069 27 HA PRO 4 HA PRO 4 -7.800 -9.843 -10.569 28 HB2 PRO 4 1HB PRO 4 -5.683 -7.897 -9.649 29 HB3 PRO 4 2HB PRO 4 -5.987 -8.546 -11.291 30 HG2 PRO 4 1HG PRO 4 -6.664 -6.068 -10.696 31 HG3 PRO 4 2HG PRO 4 -7.775 -7.105 -11.647 32 HD2 PRO 4 1HD PRO 4 -7.894 -6.411 -8.708 33 HD3 PRO 4 2HD PRO 4 -9.198 -6.436 -9.933 34 H SER 5 H SER 5 -6.967 -8.521 -7.327 35 HA SER 5 HA SER 5 -6.260 -10.999 -6.177 36 HB2 SER 5 1HB SER 5 -4.015 -9.142 -7.115 37 HB3 SER 5 2HB SER 5 -3.835 -10.226 -5.723 38 HG SER 5 HG SER 5 -4.719 -11.236 -8.206 39 H GLU 6 H GLU 6 -6.353 -10.533 -4.071 40 HA GLU 6 HA GLU 6 -7.007 -7.792 -3.183 41 HB2 GLU 6 1HB GLU 6 -6.932 -10.447 -1.700 42 HB3 GLU 6 2HB GLU 6 -7.506 -8.912 -1.023 43 HG2 GLU 6 1HG GLU 6 -9.268 -8.803 -2.697 44 HG3 GLU 6 2HG GLU 6 -8.680 -10.298 -3.439 45 H THR 7 H THR 7 -4.382 -10.001 -3.354 46 HA THR 7 HA THR 7 -2.741 -8.567 -1.353 47 HB THR 7 HB THR 7 -0.964 -10.173 -2.205 48 HG1 THR 7 1HG THR 7 -2.047 -10.474 -4.272 49 HG21 THR 7 1HG2 THR 7 -1.900 -12.171 -1.164 50 HG22 THR 7 2HG2 THR 7 -3.548 -11.518 -1.309 51 HG23 THR 7 3HG2 THR 7 -2.367 -10.737 -0.229 52 H LEU 8 H LEU 8 -1.156 -7.150 -1.956 53 HA LEU 8 HA LEU 8 -1.087 -6.398 -4.847 54 HB2 LEU 8 1HB LEU 8 -2.255 -4.941 -3.097 55 HB3 LEU 8 2HB LEU 8 -0.686 -4.583 -2.454 56 HG LEU 8 HG LEU 8 -0.334 -2.979 -3.988 57 HD11 LEU 8 1HD1 LEU 8 0.014 -4.429 -5.915 58 HD12 LEU 8 2HD1 LEU 8 -1.008 -3.052 -6.358 59 HD13 LEU 8 3HD1 LEU 8 -1.748 -4.644 -6.102 60 HD21 LEU 8 1HD2 LEU 8 -3.312 -3.498 -4.394 61 HD22 LEU 8 2HD2 LEU 8 -2.473 -1.986 -4.788 62 HD23 LEU 8 3HD2 LEU 8 -2.568 -2.524 -3.099 63 H CYS 9 H CYS 9 0.797 -6.997 -5.657 64 HA CYS 9 HA CYS 9 3.297 -6.581 -4.145 65 HB2 CYS 9 1HB CYS 9 1.994 -8.858 -3.625 66 HB3 CYS 9 2HB CYS 9 2.789 -9.376 -5.113 67 H GLY 10 H GLY 10 4.922 -8.294 -5.694 68 HA2 GLY 10 1HA GLY 10 5.937 -8.486 -7.748 69 HA3 GLY 10 2HA GLY 10 4.322 -8.327 -8.445 70 H GLY 11 H GLY 11 5.818 -5.730 -6.568 71 HA2 GLY 11 1HA GLY 11 6.852 -3.769 -7.356 72 HA3 GLY 11 2HA GLY 11 6.622 -4.319 -9.023 73 H GLU 12 H GLU 12 3.699 -4.879 -8.556 74 HA GLU 12 HA GLU 12 2.652 -2.297 -9.234 75 HB2 GLU 12 1HB GLU 12 1.641 -4.543 -9.786 76 HB3 GLU 12 2HB GLU 12 1.167 -4.688 -8.088 77 HG2 GLU 12 1HG GLU 12 -0.188 -2.616 -8.318 78 HG3 GLU 12 2HG GLU 12 0.235 -2.560 -10.035 79 H LEU 13 H LEU 13 3.266 -3.921 -6.203 80 HA LEU 13 HA LEU 13 1.617 -2.373 -4.479 81 HB2 LEU 13 1HB LEU 13 2.854 -4.401 -3.821 82 HB3 LEU 13 2HB LEU 13 4.381 -3.548 -3.999 83 HG LEU 13 HG LEU 13 3.875 -2.125 -2.100 84 HD11 LEU 13 1HD1 LEU 13 1.220 -3.587 -1.957 85 HD12 LEU 13 2HD1 LEU 13 1.454 -1.864 -2.336 86 HD13 LEU 13 3HD1 LEU 13 1.851 -2.476 -0.724 87 HD21 LEU 13 1HD2 LEU 13 3.789 -3.845 -0.355 88 HD22 LEU 13 2HD2 LEU 13 4.926 -4.232 -1.655 89 HD23 LEU 13 3HD2 LEU 13 3.343 -5.049 -1.578 90 H VAL 14 H VAL 14 4.864 -1.730 -5.875 91 HA VAL 14 HA VAL 14 5.369 0.652 -4.330 92 HB VAL 14 HB VAL 14 6.452 -0.178 -7.073 93 HG11 VAL 14 1HG1 VAL 14 6.783 2.208 -6.735 94 HG12 VAL 14 2HG1 VAL 14 7.426 1.924 -5.098 95 HG13 VAL 14 3HG1 VAL 14 8.334 1.373 -6.527 96 HG21 VAL 14 1HG2 VAL 14 7.675 -0.542 -4.304 97 HG22 VAL 14 2HG2 VAL 14 6.979 -1.839 -5.304 98 HG23 VAL 14 3HG2 VAL 14 8.431 -0.983 -5.851 99 H ASP 15 H ASP 15 3.899 -0.070 -7.490 100 HA ASP 15 HA ASP 15 3.540 2.626 -8.313 101 HB2 ASP 15 1HB ASP 15 2.969 0.063 -9.297 102 HB3 ASP 15 2HB ASP 15 1.377 0.818 -9.121 103 H THR 16 H THR 16 1.585 0.439 -6.319 104 HA THR 16 HA THR 16 -0.656 2.208 -6.061 105 HB THR 16 HB THR 16 0.276 0.143 -4.018 106 HG1 THR 16 1HG THR 16 0.119 -0.699 -6.191 107 HG21 THR 16 1HG2 THR 16 -2.144 -0.030 -3.610 108 HG22 THR 16 2HG2 THR 16 -2.445 1.263 -4.791 109 HG23 THR 16 3HG2 THR 16 -1.545 1.608 -3.291 110 H LEU 17 H LEU 17 2.315 1.749 -4.127 111 HA LEU 17 HA LEU 17 1.601 3.550 -2.009 112 HB2 LEU 17 1HB LEU 17 4.217 2.568 -3.157 113 HB3 LEU 17 2HB LEU 17 4.168 3.741 -1.851 114 HG LEU 17 HG LEU 17 2.573 1.234 -1.499 115 HD11 LEU 17 1HD1 LEU 17 4.601 0.339 -2.350 116 HD12 LEU 17 2HD1 LEU 17 4.516 0.065 -0.607 117 HD13 LEU 17 3HD1 LEU 17 5.573 1.350 -1.249 118 HD21 LEU 17 1HD2 LEU 17 4.332 2.871 0.376 119 HD22 LEU 17 2HD2 LEU 17 3.225 1.557 0.828 120 HD23 LEU 17 3HD2 LEU 17 2.573 3.070 0.180 121 H GLN 18 H GLN 18 3.110 4.018 -5.222 122 HA GLN 18 HA GLN 18 3.616 6.842 -4.878 123 HB2 GLN 18 1HB GLN 18 3.256 5.118 -7.344 124 HB3 GLN 18 2HB GLN 18 3.690 6.829 -7.401 125 HG2 GLN 18 1HG GLN 18 5.733 6.370 -6.114 126 HG3 GLN 18 2HG GLN 18 5.320 4.657 -6.048 127 HE21 GLN 18 1HE2 GLN 18 5.798 4.410 -9.731 128 HE22 GLN 18 2HE2 GLN 18 4.440 4.196 -8.659 129 H PHE 19 H PHE 19 0.843 4.947 -6.118 130 HA PHE 19 HA PHE 19 -0.641 7.224 -7.038 131 HB2 PHE 19 1HB PHE 19 -1.078 4.905 -7.746 132 HB3 PHE 19 2HB PHE 19 -1.575 4.485 -6.106 133 HD1 PHE 19 1HD PHE 19 -2.485 6.479 -9.110 134 HD2 PHE 19 2HD PHE 19 -3.768 4.991 -5.281 135 HE1 PHE 19 1HE PHE 19 -4.828 7.141 -9.641 136 HE2 PHE 19 2HE PHE 19 -6.111 5.653 -5.798 137 HZ PHE 19 HZ PHE 19 -6.648 6.733 -7.983 138 H VAL 20 H VAL 20 -0.801 5.378 -3.935 139 HA VAL 20 HA VAL 20 -2.957 7.038 -2.973 140 HB VAL 20 HB VAL 20 -2.557 4.616 -2.286 141 HG11 VAL 20 1HG1 VAL 20 -0.996 4.065 -0.574 142 HG12 VAL 20 2HG1 VAL 20 -0.091 4.878 -1.855 143 HG13 VAL 20 3HG1 VAL 20 -0.499 5.750 -0.366 144 HG21 VAL 20 1HG2 VAL 20 -2.785 6.599 0.000 145 HG22 VAL 20 2HG2 VAL 20 -4.111 6.078 -1.065 146 HG23 VAL 20 3HG2 VAL 20 -3.322 4.904 0.009 147 H CYS 21 H CYS 21 0.569 7.221 -2.689 148 HA CYS 21 HA CYS 21 0.181 9.710 -1.088 149 HB2 CYS 21 1HB CYS 21 2.199 7.507 -0.666 150 HB3 CYS 21 2HB CYS 21 2.347 9.116 0.061 151 H GLY 22 H GLY 22 2.736 7.994 -2.972 152 HA2 GLY 22 1HA GLY 22 4.292 8.846 -4.442 153 HA3 GLY 22 2HA GLY 22 3.045 10.012 -4.869 154 H ASP 23 H ASP 23 3.357 12.076 -4.500 155 HA ASP 23 HA ASP 23 5.897 13.137 -3.815 156 HB2 ASP 23 1HB ASP 23 4.132 14.256 -5.181 157 HB3 ASP 23 2HB ASP 23 3.172 14.476 -3.709 158 H ARG 24 H ARG 24 3.100 12.380 -1.802 159 HA ARG 24 HA ARG 24 3.833 13.932 0.506 160 HB2 ARG 24 1HB ARG 24 2.316 11.324 0.177 161 HB3 ARG 24 2HB ARG 24 2.432 12.203 1.701 162 HG2 ARG 24 1HG ARG 24 1.117 13.990 0.919 163 HG3 ARG 24 2HG ARG 24 1.338 13.536 -0.782 164 HD2 ARG 24 1HD ARG 24 -0.915 12.949 0.032 165 HD3 ARG 24 2HD ARG 24 0.011 11.531 -0.474 166 HE ARG 24 HE ARG 24 0.401 11.941 2.316 167 HH11 ARG 24 1HH1 ARG 24 -2.060 10.708 0.070 168 HH12 ARG 24 2HH1 ARG 24 -2.828 9.762 1.330 169 HH21 ARG 24 1HH2 ARG 24 -0.686 10.681 3.830 170 HH22 ARG 24 2HH2 ARG 24 -2.069 9.729 3.335 171 H GLY 25 H GLY 25 5.250 11.177 -0.951 172 HA2 GLY 25 1HA GLY 25 7.230 10.136 -0.334 173 HA3 GLY 25 2HA GLY 25 7.158 10.910 1.264 174 H PHE 26 H PHE 26 7.623 8.055 0.463 175 HA PHE 26 HA PHE 26 5.883 6.916 2.486 176 HB2 PHE 26 1HB PHE 26 4.966 5.146 1.081 177 HB3 PHE 26 2HB PHE 26 4.433 6.716 0.484 178 HD1 PHE 26 1HD PHE 26 5.092 7.537 -1.690 179 HD2 PHE 26 2HD PHE 26 6.687 3.836 -0.186 180 HE1 PHE 26 1HE PHE 26 5.963 6.999 -3.948 181 HE2 PHE 26 2HE PHE 26 7.552 3.282 -2.448 182 HZ PHE 26 HZ PHE 26 7.184 4.863 -4.334 183 H TYR 27 H TYR 27 6.509 4.648 2.946 184 HA TYR 27 HA TYR 27 9.226 4.011 1.895 185 HB2 TYR 27 1HB TYR 27 8.415 3.884 4.823 186 HB3 TYR 27 2HB TYR 27 10.004 3.494 4.144 187 HD1 TYR 27 1HD TYR 27 11.226 5.456 2.855 188 HD2 TYR 27 2HD TYR 27 7.967 6.064 5.604 189 HE1 TYR 27 1HE TYR 27 11.861 7.855 3.090 190 HE2 TYR 27 2HE TYR 27 8.629 8.455 5.841 191 HH TYR 27 HH TYR 27 11.274 9.883 3.945 192 H PHE 28 H PHE 28 9.762 1.753 2.151 193 HA PHE 28 HA PHE 28 7.426 -0.023 1.973 194 HB2 PHE 28 1HB PHE 28 10.203 -0.045 1.190 195 HB3 PHE 28 2HB PHE 28 9.912 -1.439 2.233 196 HD1 PHE 28 1HD PHE 28 7.790 0.264 -0.410 197 HD2 PHE 28 2HD PHE 28 9.682 -3.363 0.945 198 HE1 PHE 28 1HE PHE 28 6.790 -0.968 -2.318 199 HE2 PHE 28 2HE PHE 28 8.704 -4.592 -0.985 200 HZ PHE 28 HZ PHE 28 7.246 -3.397 -2.616 201 H SER 29 H SER 29 9.313 1.393 4.371 202 HA SER 29 HA SER 29 9.037 -0.859 6.290 203 HB2 SER 29 1HB SER 29 10.573 1.752 6.544 204 HB3 SER 29 2HB SER 29 10.738 0.300 7.559 205 HG SER 29 HG SER 29 11.029 -0.346 4.968 206 H ARG 30 H ARG 30 8.123 -0.502 8.347 207 HA ARG 30 HA ARG 30 5.925 1.245 8.460 208 HB2 ARG 30 1HB ARG 30 7.288 -0.118 10.786 209 HB3 ARG 30 2HB ARG 30 5.644 0.540 10.774 210 HG2 ARG 30 1HG ARG 30 5.091 -1.032 8.942 211 HG3 ARG 30 2HG ARG 30 6.707 -1.738 9.083 212 HD2 ARG 30 1HD ARG 30 6.198 -2.511 11.349 213 HD3 ARG 30 2HD ARG 30 4.630 -1.680 11.302 214 HE ARG 30 HE ARG 30 3.747 -3.345 9.922 215 HH11 ARG 30 1HH1 ARG 30 7.227 -3.957 10.254 216 HH12 ARG 30 2HH1 ARG 30 7.085 -5.522 9.467 217 HH21 ARG 30 1HH2 ARG 30 3.693 -5.332 8.981 218 HH22 ARG 30 2HH2 ARG 30 5.177 -6.262 8.793 219 HA PRO 31 HA PRO 31 8.191 4.199 11.324 220 HB2 PRO 31 1HB PRO 31 10.927 4.390 11.136 221 HB3 PRO 31 2HB PRO 31 10.066 3.363 12.321 222 HG2 PRO 31 1HG PRO 31 11.234 2.571 9.635 223 HG3 PRO 31 2HG PRO 31 11.435 1.757 11.218 224 HD2 PRO 31 1HD PRO 31 9.663 0.912 9.402 225 HD3 PRO 31 2HD PRO 31 9.292 0.873 11.151 226 H ALA 32 H ALA 32 7.804 6.057 10.509 227 HA ALA 32 HA ALA 32 8.381 6.650 7.709 228 HB1 ALA 32 1HB ALA 32 6.866 8.171 9.854 229 HB2 ALA 32 2HB ALA 32 6.884 8.572 8.125 230 HB3 ALA 32 3HB ALA 32 6.163 7.040 8.666 231 H SER 33 H SER 33 10.299 7.020 10.319 232 HA SER 33 HA SER 33 10.805 9.813 10.387 233 HB2 SER 33 1HB SER 33 12.690 7.648 11.296 234 HB3 SER 33 2HB SER 33 12.437 9.262 11.997 235 HG SER 33 HG SER 33 10.425 8.605 12.704 236 H ARG 34 H ARG 34 11.332 8.524 7.659 237 HA ARG 34 HA ARG 34 12.754 8.810 5.907 238 HB2 ARG 34 1HB ARG 34 12.155 11.149 6.865 239 HB3 ARG 34 2HB ARG 34 13.864 11.249 7.291 240 HG2 ARG 34 1HG ARG 34 14.534 11.370 5.049 241 HG3 ARG 34 2HG ARG 34 13.095 10.509 4.468 242 HD2 ARG 34 1HD ARG 34 11.697 12.479 5.078 243 HD3 ARG 34 2HD ARG 34 13.171 13.358 5.535 244 HE ARG 34 HE ARG 34 13.651 12.522 2.941 245 HH11 ARG 34 1HH1 ARG 34 11.074 14.434 4.419 246 HH12 ARG 34 2HH1 ARG 34 10.773 15.327 2.953 247 HH21 ARG 34 1HH2 ARG 34 13.207 13.715 1.108 248 HH22 ARG 34 2HH2 ARG 34 11.955 14.927 1.123 249 H VAL 35 H VAL 35 13.994 7.285 8.249 250 HA VAL 35 HA VAL 35 16.781 7.515 7.227 251 HB VAL 35 HB VAL 35 17.575 6.772 9.515 252 HG11 VAL 35 1HG1 VAL 35 17.761 9.114 8.709 253 HG12 VAL 35 2HG1 VAL 35 16.170 9.474 9.419 254 HG13 VAL 35 3HG1 VAL 35 17.534 9.027 10.471 255 HG21 VAL 35 1HG2 VAL 35 14.792 7.629 10.426 256 HG22 VAL 35 2HG2 VAL 35 15.397 5.958 10.433 257 HG23 VAL 35 3HG2 VAL 35 16.147 7.180 11.474 258 H SER 36 H SER 36 17.540 5.781 6.324 259 HA SER 36 HA SER 36 16.139 3.185 6.811 260 HB2 SER 36 1HB SER 36 16.129 4.174 4.495 261 HB3 SER 36 2HB SER 36 17.893 3.982 4.461 262 HG SER 36 HG SER 36 17.581 1.743 4.753 263 H ARG 37 H ARG 37 18.609 4.672 8.135 264 HA ARG 37 HA ARG 37 20.875 3.011 7.585 265 HB2 ARG 37 1HB ARG 37 20.649 4.263 10.281 266 HB3 ARG 37 2HB ARG 37 22.005 4.259 9.155 267 HG2 ARG 37 1HG ARG 37 20.765 5.966 7.765 268 HG3 ARG 37 2HG ARG 37 19.518 6.000 9.026 269 HD2 ARG 37 1HD ARG 37 20.869 7.816 9.575 270 HD3 ARG 37 2HD ARG 37 21.436 6.536 10.666 271 HE ARG 37 HE ARG 37 22.989 6.450 8.285 272 HH11 ARG 37 1HH1 ARG 37 22.557 8.580 11.074 273 HH12 ARG 37 2HH1 ARG 37 24.166 9.238 10.930 274 HH21 ARG 37 1HH2 ARG 37 25.023 7.338 8.173 275 HH22 ARG 37 2HH2 ARG 37 25.529 8.545 9.321 276 H ARG 38 H ARG 38 18.095 2.348 9.272 277 HA ARG 38 HA ARG 38 19.291 0.581 11.283 278 HB2 ARG 38 1HB ARG 38 17.017 0.218 12.026 279 HB3 ARG 38 2HB ARG 38 17.291 1.939 11.784 280 HG2 ARG 38 1HG ARG 38 15.634 2.109 10.256 281 HG3 ARG 38 2HG ARG 38 16.179 0.675 9.372 282 HD2 ARG 38 1HD ARG 38 14.551 0.611 11.940 283 HD3 ARG 38 2HD ARG 38 13.889 0.407 10.301 284 HE ARG 38 HE ARG 38 16.015 -1.451 10.628 285 HH11 ARG 38 1HH1 ARG 38 12.778 -0.957 11.978 286 HH12 ARG 38 2HH1 ARG 38 12.569 -2.655 12.309 287 HH21 ARG 38 1HH2 ARG 38 15.673 -3.564 11.057 288 HH22 ARG 38 2HH2 ARG 38 14.190 -4.111 11.798 289 H SER 39 H SER 39 19.263 0.066 8.161 290 HA SER 39 HA SER 39 18.950 -1.690 6.715 291 HB2 SER 39 1HB SER 39 20.732 -2.572 8.204 292 HB3 SER 39 2HB SER 39 19.491 -3.354 9.203 293 HG SER 39 HG SER 39 18.901 -4.599 7.436 294 HA PRO 40 HA PRO 40 14.699 -2.657 8.259 295 HB2 PRO 40 1HB PRO 40 13.224 -1.513 6.292 296 HB3 PRO 40 2HB PRO 40 13.867 -0.551 7.663 297 HG2 PRO 40 1HG PRO 40 15.029 -0.916 4.904 298 HG3 PRO 40 2HG PRO 40 14.691 0.609 5.787 299 HD2 PRO 40 1HD PRO 40 17.143 -0.501 5.753 300 HD3 PRO 40 2HD PRO 40 16.500 0.297 7.229 301 H GLN 41 H GLN 41 13.149 -4.133 7.337 302 HA GLN 41 HA GLN 41 13.769 -5.334 4.702 303 HB2 GLN 41 1HB GLN 41 13.535 -6.907 7.310 304 HB3 GLN 41 2HB GLN 41 13.608 -7.606 5.692 305 HG2 GLN 41 1HG GLN 41 15.907 -6.726 5.429 306 HG3 GLN 41 2HG GLN 41 15.838 -6.103 7.086 307 HE21 GLN 41 1HE2 GLN 41 17.530 -9.343 7.327 308 HE22 GLN 41 2HE2 GLN 41 17.841 -7.753 6.674 309 H ARG 42 H ARG 42 11.889 -6.848 4.201 310 HA ARG 42 HA ARG 42 9.665 -7.182 3.917 311 HB2 ARG 42 1HB ARG 42 9.624 -7.099 6.935 312 HB3 ARG 42 2HB ARG 42 8.631 -8.051 5.836 313 HG2 ARG 42 1HG ARG 42 10.548 -9.425 5.212 314 HG3 ARG 42 2HG ARG 42 11.602 -8.413 6.223 315 HD2 ARG 42 1HD ARG 42 9.956 -8.932 8.107 316 HD3 ARG 42 2HD ARG 42 9.430 -10.275 7.077 317 HE ARG 42 HE ARG 42 12.268 -10.332 7.268 318 HH11 ARG 42 1HH1 ARG 42 9.469 -10.822 9.363 319 HH12 ARG 42 2HH1 ARG 42 10.334 -11.909 10.423 320 HH21 ARG 42 1HH2 ARG 42 13.319 -11.706 8.662 321 HH22 ARG 42 2HH2 ARG 42 12.482 -12.404 10.023 322 H GLY 43 H GLY 43 8.093 -6.024 6.653 323 HA2 GLY 43 1HA GLY 43 7.157 -3.944 7.165 324 HA3 GLY 43 2HA GLY 43 7.887 -3.249 5.719 325 H ILE 44 H ILE 44 6.512 -2.633 4.211 326 HA ILE 44 HA ILE 44 3.738 -2.885 4.373 327 HB ILE 44 HB ILE 44 4.960 -1.208 2.971 328 HG12 ILE 44 1HG1 ILE 44 3.614 -1.533 0.771 329 HG13 ILE 44 2HG1 ILE 44 2.881 -2.914 1.563 330 HG21 ILE 44 1HG2 ILE 44 5.502 -3.541 1.061 331 HG22 ILE 44 2HG2 ILE 44 5.864 -1.830 0.761 332 HG23 ILE 44 3HG2 ILE 44 6.714 -2.697 2.050 333 HD11 ILE 44 1HD1 ILE 44 1.562 -0.819 1.646 334 HD12 ILE 44 2HD1 ILE 44 1.898 -1.500 3.254 335 HD13 ILE 44 3HD1 ILE 44 2.817 -0.091 2.652 336 H VAL 45 H VAL 45 6.007 -5.115 2.833 337 HA VAL 45 HA VAL 45 4.012 -6.459 1.314 338 HB VAL 45 HB VAL 45 5.685 -8.169 0.920 339 HG11 VAL 45 1HG1 VAL 45 5.848 -5.995 -0.249 340 HG12 VAL 45 2HG1 VAL 45 7.030 -5.459 0.970 341 HG13 VAL 45 3HG1 VAL 45 7.404 -6.832 -0.095 342 HG21 VAL 45 1HG2 VAL 45 6.597 -8.467 3.158 343 HG22 VAL 45 2HG2 VAL 45 7.907 -8.107 2.016 344 HG23 VAL 45 3HG2 VAL 45 7.309 -6.837 3.110 345 H GLU 46 H GLU 46 4.943 -6.737 4.706 346 HA GLU 46 HA GLU 46 4.006 -9.463 5.048 347 HB2 GLU 46 1HB GLU 46 4.445 -7.199 7.022 348 HB3 GLU 46 2HB GLU 46 4.065 -8.864 7.481 349 HG2 GLU 46 1HG GLU 46 6.121 -9.677 6.477 350 HG3 GLU 46 2HG GLU 46 6.470 -8.081 5.803 351 H GLU 47 H GLU 47 2.571 -6.246 5.182 352 HA GLU 47 HA GLU 47 -0.008 -7.355 6.079 353 HB2 GLU 47 1HB GLU 47 1.250 -4.692 5.837 354 HB3 GLU 47 2HB GLU 47 -0.474 -4.743 5.451 355 HG2 GLU 47 1HG GLU 47 -0.317 -4.244 7.770 356 HG3 GLU 47 2HG GLU 47 -0.858 -5.922 7.637 357 H CYS 48 H CYS 48 1.431 -6.011 3.093 358 HA CYS 48 HA CYS 48 -1.239 -6.285 1.808 359 HB2 CYS 48 1HB CYS 48 1.206 -4.665 1.074 360 HB3 CYS 48 2HB CYS 48 -0.239 -4.794 0.064 361 H CYS 49 H CYS 49 1.754 -8.002 1.722 362 HA CYS 49 HA CYS 49 1.001 -9.018 -1.008 363 HB2 CYS 49 1HB CYS 49 3.178 -7.897 -1.001 364 HB3 CYS 49 2HB CYS 49 3.726 -8.941 0.312 365 H PHE 50 H PHE 50 2.420 -9.987 2.156 366 HA PHE 50 HA PHE 50 1.850 -12.820 1.608 367 HB2 PHE 50 1HB PHE 50 2.807 -11.332 4.082 368 HB3 PHE 50 2HB PHE 50 2.565 -13.082 4.008 369 HD1 PHE 50 1HD PHE 50 4.893 -10.408 3.400 370 HD2 PHE 50 2HD PHE 50 3.857 -14.404 2.205 371 HE1 PHE 50 1HE PHE 50 7.179 -10.709 2.462 372 HE2 PHE 50 2HE PHE 50 6.142 -14.721 1.265 373 HZ PHE 50 HZ PHE 50 7.807 -12.870 1.388 374 H ARG 51 H ARG 51 0.214 -10.067 2.738 375 HA ARG 51 HA ARG 51 -2.177 -11.742 3.347 376 HB2 ARG 51 1HB ARG 51 -1.135 -9.412 5.009 377 HB3 ARG 51 2HB ARG 51 -2.814 -9.959 5.049 378 HG2 ARG 51 1HG ARG 51 -1.855 -12.272 5.587 379 HG3 ARG 51 2HG ARG 51 -0.357 -11.408 5.993 380 HD2 ARG 51 1HD ARG 51 -3.102 -10.791 7.135 381 HD3 ARG 51 2HD ARG 51 -1.895 -11.809 7.938 382 HE ARG 51 HE ARG 51 -0.524 -9.471 7.498 383 HH11 ARG 51 1HH1 ARG 51 -3.641 -10.139 9.022 384 HH12 ARG 51 2HH1 ARG 51 -3.491 -8.807 10.132 385 HH21 ARG 51 1HH2 ARG 51 -0.387 -7.793 8.982 386 HH22 ARG 51 2HH2 ARG 51 -1.702 -7.511 10.098 387 H SER 52 H SER 52 -4.148 -10.244 3.140 388 HA SER 52 HA SER 52 -3.729 -8.427 0.823 389 HB2 SER 52 1HB SER 52 -6.281 -8.415 0.901 390 HB3 SER 52 2HB SER 52 -5.531 -9.982 0.525 391 HG SER 52 HG SER 52 -7.247 -9.971 2.172 392 H CYS 53 H CYS 53 -4.577 -6.213 0.952 393 HA CYS 53 HA CYS 53 -5.223 -5.272 3.680 394 HB2 CYS 53 1HB CYS 53 -3.530 -3.605 3.738 395 HB3 CYS 53 2HB CYS 53 -2.733 -5.136 3.398 396 H ASP 54 H ASP 54 -5.964 -3.094 3.776 397 HA ASP 54 HA ASP 54 -7.508 -2.297 1.382 398 HB2 ASP 54 1HB ASP 54 -7.365 -1.304 4.256 399 HB3 ASP 54 2HB ASP 54 -8.329 -0.504 3.004 400 H LEU 55 H LEU 55 -7.326 -0.131 0.519 401 HA LEU 55 HA LEU 55 -4.677 0.917 0.277 402 HB2 LEU 55 1HB LEU 55 -5.693 2.816 -0.787 403 HB3 LEU 55 2HB LEU 55 -6.446 1.335 -1.353 404 HG LEU 55 HG LEU 55 -8.190 2.098 0.637 405 HD11 LEU 55 1HD1 LEU 55 -7.236 4.640 -0.757 406 HD12 LEU 55 2HD1 LEU 55 -6.982 4.254 0.961 407 HD13 LEU 55 3HD1 LEU 55 -8.628 4.497 0.342 408 HD21 LEU 55 1HD2 LEU 55 -8.229 2.899 -2.298 409 HD22 LEU 55 2HD2 LEU 55 -9.640 2.828 -1.215 410 HD23 LEU 55 3HD2 LEU 55 -8.767 1.339 -1.627 411 H ALA 56 H ALA 56 -7.231 1.493 2.625 412 HA ALA 56 HA ALA 56 -6.144 3.896 3.758 413 HB1 ALA 56 1HB ALA 56 -8.487 3.167 4.101 414 HB2 ALA 56 2HB ALA 56 -7.914 1.744 5.013 415 HB3 ALA 56 3HB ALA 56 -7.645 3.384 5.654 416 H LEU 57 H LEU 57 -5.735 0.421 4.528 417 HA LEU 57 HA LEU 57 -4.085 0.879 6.853 418 HB2 LEU 57 1HB LEU 57 -5.309 -1.229 6.425 419 HB3 LEU 57 2HB LEU 57 -4.312 -1.532 5.001 420 HG LEU 57 HG LEU 57 -2.876 -1.073 7.569 421 HD11 LEU 57 1HD1 LEU 57 -4.749 -2.470 8.301 422 HD12 LEU 57 2HD1 LEU 57 -3.236 -3.399 8.310 423 HD13 LEU 57 3HD1 LEU 57 -4.414 -3.635 6.995 424 HD21 LEU 57 1HD2 LEU 57 -2.458 -3.294 5.545 425 HD22 LEU 57 2HD2 LEU 57 -1.316 -2.649 6.740 426 HD23 LEU 57 3HD2 LEU 57 -1.759 -1.677 5.338 427 H LEU 58 H LEU 58 -3.534 0.215 3.425 428 HA LEU 58 HA LEU 58 -0.730 -0.018 3.424 429 HB2 LEU 58 1HB LEU 58 -2.481 -0.456 1.634 430 HB3 LEU 58 2HB LEU 58 -2.523 1.267 1.347 431 HG LEU 58 HG LEU 58 -0.241 -0.610 0.755 432 HD11 LEU 58 1HD1 LEU 58 -2.105 1.023 -0.940 433 HD12 LEU 58 2HD1 LEU 58 -2.212 -0.739 -0.659 434 HD13 LEU 58 3HD1 LEU 58 -0.807 -0.060 -1.514 435 HD21 LEU 58 1HD2 LEU 58 -0.451 2.386 0.499 436 HD22 LEU 58 2HD2 LEU 58 0.628 1.423 -0.529 437 HD23 LEU 58 3HD2 LEU 58 0.848 1.430 1.228 438 H GLU 59 H GLU 59 -2.846 2.839 3.183 439 HA GLU 59 HA GLU 59 -0.923 4.769 2.564 440 HB2 GLU 59 1HB GLU 59 -3.433 5.000 2.596 441 HB3 GLU 59 2HB GLU 59 -3.353 5.152 4.355 442 HG2 GLU 59 1HG GLU 59 -1.997 7.166 4.127 443 HG3 GLU 59 2HG GLU 59 -1.990 6.973 2.382 444 H THR 60 H THR 60 -1.431 3.192 5.669 445 HA THR 60 HA THR 60 -0.315 5.285 7.279 446 HB THR 60 HB THR 60 -0.168 3.656 9.058 447 HG1 THR 60 1HG THR 60 -0.829 1.651 7.134 448 HG21 THR 60 1HG2 THR 60 -2.609 3.024 7.333 449 HG22 THR 60 2HG2 THR 60 -2.436 4.493 8.312 450 HG23 THR 60 3HG2 THR 60 -2.480 2.898 9.101 451 H TYR 61 H TYR 61 1.195 3.019 5.154 452 HA TYR 61 HA TYR 61 3.825 3.095 6.460 453 HB2 TYR 61 1HB TYR 61 2.738 2.061 3.838 454 HB3 TYR 61 2HB TYR 61 4.472 2.141 4.139 455 HD1 TYR 61 1HD TYR 61 1.295 0.598 5.416 456 HD2 TYR 61 2HD TYR 61 5.598 0.587 5.491 457 HE1 TYR 61 1HE TYR 61 1.274 -1.592 6.625 458 HE2 TYR 61 2HE TYR 61 5.566 -1.586 6.683 459 HH TYR 61 HH TYR 61 2.611 -3.305 7.568 460 H CYS 62 H CYS 62 2.100 5.460 4.904 461 HA CYS 62 HA CYS 62 4.226 6.448 3.204 462 HB2 CYS 62 1HB CYS 62 1.655 7.718 4.136 463 HB3 CYS 62 2HB CYS 62 2.767 8.418 2.943 464 H ALA 63 H ALA 63 5.050 8.720 3.465 465 HA ALA 63 HA ALA 63 6.376 8.903 6.043 466 HB1 ALA 63 1HB ALA 63 7.455 10.863 5.085 467 HB2 ALA 63 2HB ALA 63 7.402 9.574 3.855 468 HB3 ALA 63 3HB ALA 63 6.254 10.929 3.776 469 H THR 64 H THR 64 3.497 10.132 4.596 470 HA THR 64 HA THR 64 2.973 11.944 6.907 471 HB THR 64 HB THR 64 0.918 12.540 5.504 472 HG1 THR 64 1HG THR 64 1.414 10.499 4.195 473 HG21 THR 64 1HG2 THR 64 3.604 13.056 4.212 474 HG22 THR 64 2HG2 THR 64 2.922 13.940 5.609 475 HG23 THR 64 3HG2 THR 64 2.119 14.018 4.019 476 HA PRO 65 HA PRO 65 0.268 8.766 8.270 477 HB2 PRO 65 1HB PRO 65 -1.670 10.060 9.660 478 HB3 PRO 65 2HB PRO 65 0.034 10.063 10.209 479 HG2 PRO 65 1HG PRO 65 -1.477 12.145 8.689 480 HG3 PRO 65 2HG PRO 65 -0.426 12.315 10.121 481 HD2 PRO 65 1HD PRO 65 0.399 12.784 7.527 482 HD3 PRO 65 2HD PRO 65 1.532 12.268 8.810 483 H ALA 66 H ALA 66 -2.209 8.225 8.335 484 HA ALA 66 HA ALA 66 -3.096 8.140 5.641 485 HB1 ALA 66 1HB ALA 66 -4.746 7.675 8.158 486 HB2 ALA 66 2HB ALA 66 -5.083 7.057 6.523 487 HB3 ALA 66 3HB ALA 66 -3.673 6.461 7.413 488 H LYS 67 H LYS 67 -4.489 9.374 4.454 489 HA LYS 67 HA LYS 67 -5.174 11.990 5.671 490 HB2 LYS 67 1HB LYS 67 -3.895 11.551 3.431 491 HB3 LYS 67 2HB LYS 67 -5.498 11.240 2.763 492 HG2 LYS 67 1HG LYS 67 -6.180 13.542 3.451 493 HG3 LYS 67 2HG LYS 67 -4.538 13.820 4.062 494 HD2 LYS 67 1HD LYS 67 -3.641 13.387 1.790 495 HD3 LYS 67 2HD LYS 67 -5.300 13.152 1.194 496 HE2 LYS 67 1HE LYS 67 -5.863 15.469 1.899 497 HE3 LYS 67 2HE LYS 67 -4.184 15.702 2.433 498 HZ1 LYS 67 1HZ LYS 67 -3.470 15.329 0.149 499 HZ2 LYS 67 2HZ LYS 67 -4.547 16.577 0.205 500 HZ3 LYS 67 3HZ LYS 67 -5.025 15.097 -0.348 501 H SER 68 H SER 68 -6.569 9.236 5.763 502 HA SER 68 HA SER 68 -9.201 9.742 4.614 503 HB2 SER 68 1HB SER 68 -9.186 7.551 6.471 504 HB3 SER 68 2HB SER 68 -9.193 7.501 4.697 505 HG SER 68 HG SER 68 -7.025 7.303 4.677 506 H GLU 69 H GLU 69 -8.590 11.819 6.299 507 HA GLU 69 HA GLU 69 -9.325 13.142 7.970 508 HB2 GLU 69 1HB GLU 69 -11.574 12.545 6.938 509 HB3 GLU 69 2HB GLU 69 -11.783 11.361 8.224 510 HG2 GLU 69 1HG GLU 69 -10.993 13.780 9.543 511 HG3 GLU 69 2HG GLU 69 -12.148 14.271 8.311
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