NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26666 | 2nsv | 7326 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 1H ASN 1 10.694 -3.811 0.950 2 HA ASN 1 HA ASN 1 9.393 -3.045 -1.496 3 HB2 ASN 1 1HB ASN 1 10.786 -5.735 -1.080 4 HB3 ASN 1 2HB ASN 1 9.515 -5.525 -2.268 5 HD21 ASN 1 1HD2 ASN 1 12.443 -6.098 -2.442 6 HD22 ASN 1 2HD2 ASN 1 13.095 -4.939 -3.552 7 HA PRO 2 HA PRO 2 6.174 -4.593 1.080 8 HB2 PRO 2 1HB PRO 2 4.062 -4.264 -0.623 9 HB3 PRO 2 2HB PRO 2 4.710 -2.967 0.361 10 HG2 PRO 2 1HG PRO 2 5.030 -3.429 -2.541 11 HG3 PRO 2 2HG PRO 2 5.294 -1.956 -1.628 12 HD2 PRO 2 1HD PRO 2 7.306 -3.736 -2.635 13 HD3 PRO 2 2HD PRO 2 7.563 -2.328 -1.624 14 H GLU 3 H GLU 3 7.763 -6.585 0.231 15 HA GLU 3 HA GLU 3 6.089 -8.391 -1.231 16 HB2 GLU 3 1HB GLU 3 7.998 -9.784 -1.390 17 HB3 GLU 3 2HB GLU 3 8.654 -8.160 -1.443 18 HG2 GLU 3 1HG GLU 3 9.132 -8.279 1.016 19 HG3 GLU 3 2HG GLU 3 8.490 -9.910 1.057 20 H ASP 4 H ASP 4 7.342 -7.931 2.111 21 HA ASP 4 HA ASP 4 6.159 -10.359 2.994 22 HB2 ASP 4 1HB ASP 4 7.027 -8.070 4.790 23 HB3 ASP 4 2HB ASP 4 7.044 -9.786 5.145 24 H TRP 5 H TRP 5 5.141 -7.113 2.347 25 HA TRP 5 HA TRP 5 2.808 -7.441 4.110 26 HB2 TRP 5 1HB TRP 5 3.299 -4.747 3.107 27 HB3 TRP 5 2HB TRP 5 2.919 -5.305 4.724 28 HD1 TRP 5 HD TRP 5 5.383 -6.786 5.736 29 HE1 TRP 5 1HE TRP 5 7.811 -5.778 5.957 30 HE3 TRP 5 3HE TRP 5 4.707 -3.047 2.357 31 HZ2 TRP 5 2HZ TRP 5 9.147 -3.579 4.723 32 HZ3 TRP 5 3HZ TRP 5 6.623 -1.514 1.923 33 HH2 TRP 5 HH TRP 5 8.785 -1.733 3.042 34 H PHE 6 H PHE 6 1.412 -5.238 2.699 35 HA PHE 6 HA PHE 6 -0.007 -4.976 1.033 36 HB2 PHE 6 1HB PHE 6 1.938 -4.542 -0.361 37 HB3 PHE 6 2HB PHE 6 2.436 -6.222 -0.321 38 HD1 PHE 6 1HD PHE 6 -0.505 -4.206 -1.448 39 HD2 PHE 6 2HD PHE 6 2.113 -7.451 -2.238 40 HE1 PHE 6 1HE PHE 6 -1.655 -4.600 -3.644 41 HE2 PHE 6 2HE PHE 6 0.963 -7.845 -4.434 42 HZ PHE 6 HZ PHE 6 -0.908 -6.415 -5.111 43 H THR 7 H THR 7 -1.899 -6.032 0.643 44 HA THR 7 HA THR 7 -1.729 -8.954 0.293 45 HB THR 7 HB THR 7 -4.004 -8.925 1.441 46 HG1 THR 7 1HG THR 7 -4.104 -6.503 0.809 47 HG21 THR 7 3HG2 THR 7 -2.162 -7.385 3.273 48 HG22 THR 7 1HG2 THR 7 -3.131 -8.839 3.615 49 HG23 THR 7 2HG2 THR 7 -1.613 -8.977 2.696 50 HA PRO 8 HA PRO 8 -3.450 -7.644 -3.543 51 HB2 PRO 8 1HB PRO 8 -2.527 -9.753 -5.016 52 HB3 PRO 8 2HB PRO 8 -1.621 -8.269 -4.796 53 HG2 PRO 8 1HG PRO 8 -1.188 -10.909 -3.538 54 HG3 PRO 8 2HG PRO 8 -0.077 -9.559 -3.669 55 HD2 PRO 8 1HD PRO 8 -1.549 -10.352 -1.338 56 HD3 PRO 8 2HD PRO 8 -0.529 -8.936 -1.502 57 H ASP 9 H ASP 9 -4.223 -9.928 -1.371 58 HA ASP 9 HA ASP 9 -6.088 -11.278 -3.081 59 HB2 ASP 9 1HB ASP 9 -5.501 -11.441 -0.090 60 HB3 ASP 9 2HB ASP 9 -6.727 -12.417 -0.874 61 H THR 10 H THR 10 -5.892 -8.367 -1.303 62 HA THR 10 HA THR 10 -8.799 -8.093 -1.337 63 HB THR 10 HB THR 10 -8.270 -8.835 0.959 64 HG1 THR 10 1HG THR 10 -8.934 -6.707 1.950 65 HG21 THR 10 3HG2 THR 10 -6.182 -6.626 0.754 66 HG22 THR 10 1HG2 THR 10 -6.873 -7.084 2.330 67 HG23 THR 10 2HG2 THR 10 -5.978 -8.284 1.367 68 H CYS 11 H CYS 11 -7.127 -7.141 -3.300 69 HA CYS 11 HA CYS 11 -7.566 -4.336 -2.953 70 HB2 CYS 11 1HB CYS 11 -5.175 -5.038 -2.032 71 HB3 CYS 11 2HB CYS 11 -4.761 -4.995 -3.734 72 H ALA 12 H ALA 12 -7.304 -3.212 -5.096 73 HA ALA 12 HA ALA 12 -8.251 -4.829 -7.190 74 HB1 ALA 12 3HB ALA 12 -7.082 -2.283 -8.022 75 HB2 ALA 12 1HB ALA 12 -8.782 -2.810 -8.037 76 HB3 ALA 12 2HB ALA 12 -8.083 -2.102 -6.561 77 H TYR 13 H TYR 13 -5.020 -3.476 -6.346 78 HA TYR 13 HA TYR 13 -3.856 -4.585 -8.744 79 HB2 TYR 13 1HB TYR 13 -2.484 -3.495 -6.228 80 HB3 TYR 13 2HB TYR 13 -1.897 -3.401 -7.876 81 HD1 TYR 13 2HD TYR 13 -3.840 -2.170 -9.479 82 HD2 TYR 13 1HD TYR 13 -3.060 -1.443 -5.335 83 HE1 TYR 13 2HE TYR 13 -4.834 0.160 -9.693 84 HE2 TYR 13 1HE TYR 13 -4.057 0.885 -5.564 85 HH TYR 13 HH TYR 13 -5.735 1.982 -7.075 86 H GLY 14 H GLY 14 -2.704 -6.476 -8.925 87 HA2 GLY 14 1HA GLY 14 -2.723 -8.228 -6.576 88 HA3 GLY 14 2HA GLY 14 -2.504 -8.697 -8.250 89 H ASP 15 H ASP 15 -0.704 -5.860 -7.650 90 HA ASP 15 HA ASP 15 1.653 -7.495 -7.123 91 HB2 ASP 15 1HB ASP 15 1.815 -4.795 -8.469 92 HB3 ASP 15 2HB ASP 15 2.910 -6.156 -8.608 93 H SER 16 H SER 16 3.113 -6.676 -5.509 94 HA SER 16 HA SER 16 1.958 -4.789 -3.739 95 HB2 SER 16 1HB SER 16 4.764 -5.429 -3.199 96 HB3 SER 16 2HB SER 16 3.345 -5.751 -2.223 97 HG SER 16 HG SER 16 4.753 -7.582 -3.384 98 H ASN 17 H ASN 17 4.413 -4.809 -6.304 99 HA ASN 17 HA ASN 17 5.722 -2.474 -5.523 100 HB2 ASN 17 1HB ASN 17 5.648 -4.281 -7.865 101 HB3 ASN 17 2HB ASN 17 5.909 -2.614 -8.337 102 HD21 ASN 17 1HD2 ASN 17 8.002 -2.763 -8.908 103 HD22 ASN 17 2HD2 ASN 17 9.311 -3.100 -7.825 104 H THR 18 H THR 18 3.476 -3.080 -8.341 105 HA THR 18 HA THR 18 2.995 -0.410 -8.924 106 HB THR 18 HB THR 18 2.460 -2.752 -10.129 107 HG1 THR 18 1HG THR 18 2.170 -0.706 -11.152 108 HG21 THR 18 3HG2 THR 18 -0.328 -1.920 -9.271 109 HG22 THR 18 1HG2 THR 18 0.209 -3.459 -9.985 110 HG23 THR 18 2HG2 THR 18 0.565 -3.098 -8.279 111 H ALA 19 H ALA 19 1.483 -2.565 -6.510 112 HA ALA 19 HA ALA 19 -0.724 -0.944 -5.965 113 HB1 ALA 19 3HB ALA 19 -0.593 -2.199 -3.720 114 HB2 ALA 19 1HB ALA 19 -0.736 -3.189 -5.192 115 HB3 ALA 19 2HB ALA 19 0.843 -3.009 -4.391 116 H TRP 20 H TRP 20 2.389 -1.276 -4.105 117 HA TRP 20 HA TRP 20 1.938 0.847 -2.404 118 HB2 TRP 20 1HB TRP 20 3.653 -0.737 -1.952 119 HB3 TRP 20 2HB TRP 20 4.481 -0.387 -3.456 120 HD1 TRP 20 HD TRP 20 5.175 2.536 -3.495 121 HE1 TRP 20 1HE TRP 20 6.524 3.869 -1.660 122 HE3 TRP 20 3HE TRP 20 4.260 -0.724 0.299 123 HZ2 TRP 20 2HZ TRP 20 7.045 3.420 1.110 124 HZ3 TRP 20 3HZ TRP 20 5.225 -0.203 2.537 125 HH2 TRP 20 HH TRP 20 6.576 1.787 2.974 126 H THR 21 H THR 21 3.648 0.724 -5.608 127 HA THR 21 HA THR 21 4.340 3.405 -5.740 128 HB THR 21 HB THR 21 3.939 1.096 -7.621 129 HG1 THR 21 1HG THR 21 5.955 1.695 -6.494 130 HG21 THR 21 3HG2 THR 21 4.860 2.956 -9.368 131 HG22 THR 21 1HG2 THR 21 3.128 2.562 -9.250 132 HG23 THR 21 2HG2 THR 21 3.773 3.998 -8.418 133 H THR 22 H THR 22 1.408 1.820 -7.183 134 HA THR 22 HA THR 22 0.252 4.234 -7.996 135 HB THR 22 HB THR 22 -0.919 1.488 -7.307 136 HG1 THR 22 1HG THR 22 0.805 1.969 -9.057 137 HG21 THR 22 3HG2 THR 22 -2.805 2.110 -8.736 138 HG22 THR 22 1HG2 THR 22 -2.667 3.352 -7.469 139 HG23 THR 22 2HG2 THR 22 -2.061 3.683 -9.110 140 H CYS 23 H CYS 23 0.696 2.905 -4.831 141 HA CYS 23 HA CYS 23 -1.587 4.253 -3.733 142 HB2 CYS 23 1HB CYS 23 0.310 2.255 -2.867 143 HB3 CYS 23 2HB CYS 23 0.187 3.528 -1.669 144 H THR 24 H THR 24 1.964 4.668 -4.089 145 HA THR 24 HA THR 24 1.948 7.090 -2.501 146 HB THR 24 HB THR 24 4.431 7.005 -3.327 147 HG1 THR 24 1HG THR 24 4.825 5.261 -4.664 148 HG21 THR 24 3HG2 THR 24 4.948 4.932 -1.938 149 HG22 THR 24 1HG2 THR 24 3.928 6.120 -1.091 150 HG23 THR 24 2HG2 THR 24 3.195 4.659 -1.796 151 H THR 25 H THR 25 0.062 7.529 -4.355 152 HA THR 25 HA THR 25 1.401 9.479 -6.083 153 HB THR 25 HB THR 25 -0.209 8.727 -7.926 154 HG1 THR 25 1HG THR 25 -1.696 7.543 -6.616 155 HG21 THR 25 3HG2 THR 25 1.674 7.605 -8.603 156 HG22 THR 25 1HG2 THR 25 2.141 7.248 -6.923 157 HG23 THR 25 2HG2 THR 25 0.993 6.185 -7.773 158 HA PRO 26 HA PRO 26 -1.777 12.071 -4.831 159 HB2 PRO 26 1HB PRO 26 -2.090 13.754 -6.961 160 HB3 PRO 26 2HB PRO 26 -0.787 13.910 -5.799 161 HG2 PRO 26 1HG PRO 26 -0.689 12.873 -8.566 162 HG3 PRO 26 2HG PRO 26 0.629 13.429 -7.555 163 HD2 PRO 26 1HD PRO 26 -0.051 10.705 -8.142 164 HD3 PRO 26 2HD PRO 26 1.194 11.261 -7.041 165 H GLY 27 H GLY 27 -3.836 11.659 -4.367 166 HA2 GLY 27 1HA GLY 27 -5.735 11.532 -6.500 167 HA3 GLY 27 2HA GLY 27 -5.383 9.943 -5.848 168 H GLN 28 H GLN 28 -7.636 9.867 -5.084 169 HA GLN 28 HA GLN 28 -8.215 11.722 -2.942 170 HB2 GLN 28 1HB GLN 28 -9.817 9.950 -4.738 171 HB3 GLN 28 2HB GLN 28 -10.444 10.152 -3.114 172 HG2 GLN 28 1HG GLN 28 -11.423 12.017 -4.060 173 HG3 GLN 28 2HG GLN 28 -9.891 12.748 -3.627 174 HE21 GLN 28 1HE2 GLN 28 -8.827 13.768 -5.139 175 HE22 GLN 28 2HE2 GLN 28 -8.986 13.568 -6.853 176 H THR 29 H THR 29 -7.665 8.240 -3.618 177 HA THR 29 HA THR 29 -7.654 7.785 -0.705 178 HB THR 29 HB THR 29 -8.580 5.614 -1.135 179 HG1 THR 29 1HG THR 29 -7.897 6.304 -3.908 180 HG21 THR 29 3HG2 THR 29 -10.596 5.993 -2.352 181 HG22 THR 29 1HG2 THR 29 -10.158 7.624 -1.790 182 HG23 THR 29 2HG2 THR 29 -9.809 7.137 -3.466 183 H CYS 30 H CYS 30 -5.395 8.917 -1.615 184 HA CYS 30 HA CYS 30 -3.577 7.014 -2.653 185 HB2 CYS 30 1HB CYS 30 -3.064 9.232 -3.138 186 HB3 CYS 30 2HB CYS 30 -3.335 9.771 -1.492 187 H TYR 31 H TYR 31 -4.332 8.408 0.606 188 HA TYR 31 HA TYR 31 -2.456 6.558 1.839 189 HB2 TYR 31 1HB TYR 31 -2.602 8.953 2.552 190 HB3 TYR 31 2HB TYR 31 -4.337 8.818 2.755 191 HD1 TYR 31 1HD TYR 31 -5.242 7.326 4.615 192 HD2 TYR 31 2HD TYR 31 -1.116 8.420 4.325 193 HE1 TYR 31 1HE TYR 31 -4.902 6.719 7.060 194 HE2 TYR 31 2HE TYR 31 -0.790 7.809 6.772 195 HH TYR 31 HH TYR 31 -3.459 6.430 8.656 196 H THR 32 H THR 32 -5.746 6.635 0.871 197 HA THR 32 HA THR 32 -6.676 5.004 3.088 198 HB THR 32 HB THR 32 -7.892 6.318 0.624 199 HG1 THR 32 1HG THR 32 -9.062 7.303 2.444 200 HG21 THR 32 3HG2 THR 32 -9.438 4.599 0.594 201 HG22 THR 32 1HG2 THR 32 -8.913 3.981 2.178 202 HG23 THR 32 2HG2 THR 32 -10.033 5.361 2.089 203 H CYS 33 H CYS 33 -5.463 4.652 -0.220 204 HA CYS 33 HA CYS 33 -6.499 2.092 -0.662 205 HB2 CYS 33 1HB CYS 33 -4.900 1.940 -2.465 206 HB3 CYS 33 2HB CYS 33 -5.677 3.511 -2.458 207 H CYS 34 H CYS 34 -3.490 3.386 0.847 208 HA CYS 34 HA CYS 34 -2.092 1.036 1.086 209 HB2 CYS 34 1HB CYS 34 -2.141 3.295 3.096 210 HB3 CYS 34 2HB CYS 34 -0.871 2.106 2.884 211 H SER 35 H SER 35 -4.856 2.368 2.921 212 HA SER 35 HA SER 35 -4.621 0.442 4.993 213 HB2 SER 35 1HB SER 35 -5.616 2.579 5.529 214 HB3 SER 35 2HB SER 35 -6.774 2.449 4.220 215 HG SER 35 HG SER 35 -7.821 0.714 5.330 216 H SER 36 H SER 36 -5.359 0.105 1.791 217 HA SER 36 HA SER 36 -7.077 -2.156 2.383 218 HB2 SER 36 1HB SER 36 -8.035 0.188 1.166 219 HB3 SER 36 2HB SER 36 -7.739 -0.884 -0.189 220 HG SER 36 HG SER 36 -9.619 -1.764 0.325 221 H CYS 37 H CYS 37 -4.133 -1.443 1.608 222 HA CYS 37 HA CYS 37 -3.984 -3.460 -0.480 223 HB2 CYS 37 1HB CYS 37 -3.554 -0.700 -0.979 224 HB3 CYS 37 2HB CYS 37 -1.981 -1.473 -0.999 225 H PHE 38 H PHE 38 -3.491 -2.934 2.570 226 HA PHE 38 HA PHE 38 -1.000 -4.354 2.638 227 HB2 PHE 38 1HB PHE 38 -1.414 -1.567 3.878 228 HB3 PHE 38 2HB PHE 38 -0.038 -2.589 4.241 229 HD1 PHE 38 2HD PHE 38 1.078 -3.525 1.887 230 HD2 PHE 38 1HD PHE 38 -0.943 0.164 2.448 231 HE1 PHE 38 2HE PHE 38 2.318 -2.549 -0.065 232 HE2 PHE 38 1HE PHE 38 0.297 1.140 0.496 233 HZ PHE 38 HZ PHE 38 1.913 -0.228 -0.737 234 H ASP 39 H ASP 39 -0.377 -4.666 5.130 235 HA ASP 39 HA ASP 39 -2.901 -5.332 6.400 236 HB2 ASP 39 1HB ASP 39 -1.442 -7.247 6.096 237 HB3 ASP 39 2HB ASP 39 -0.056 -6.374 6.718 238 H VAL 40 H VAL 40 0.444 -4.859 7.731 239 HA VAL 40 HA VAL 40 -0.578 -2.618 9.322 240 HB VAL 40 HB VAL 40 -0.560 -4.784 10.586 241 HG11 VAL 40 1HG1 VAL 40 1.495 -5.818 11.234 242 HG12 VAL 40 2HG1 VAL 40 1.526 -5.658 9.461 243 HG13 VAL 40 3HG1 VAL 40 2.459 -4.529 10.473 244 HG21 VAL 40 3HG2 VAL 40 1.110 -2.419 11.451 245 HG22 VAL 40 1HG2 VAL 40 -0.559 -2.841 11.906 246 HG23 VAL 40 2HG2 VAL 40 0.804 -3.796 12.536 247 H VAL 41 H VAL 41 2.290 -4.466 8.111 248 HA VAL 41 HA VAL 41 4.040 -2.257 8.544 249 HB VAL 41 HB VAL 41 4.463 -4.687 6.804 250 HG11 VAL 41 1HG1 VAL 41 6.415 -2.977 8.382 251 HG12 VAL 41 2HG1 VAL 41 6.821 -4.369 7.350 252 HG13 VAL 41 3HG1 VAL 41 6.149 -2.889 6.624 253 HG21 VAL 41 3HG2 VAL 41 4.610 -4.405 9.813 254 HG22 VAL 41 1HG2 VAL 41 3.734 -5.618 8.849 255 HG23 VAL 41 2HG2 VAL 41 5.511 -5.659 8.927 256 H GLY 42 H GLY 42 2.360 -3.737 5.703 257 HA2 GLY 42 1HA GLY 42 3.444 -2.088 3.732 258 HA3 GLY 42 2HA GLY 42 1.902 -2.918 3.662 259 H GLU 43 H GLU 43 0.672 -1.627 5.992 260 HA GLU 43 HA GLU 43 -0.131 0.753 4.661 261 HB2 GLU 43 1HB GLU 43 -1.556 -0.950 6.074 262 HB3 GLU 43 2HB GLU 43 -0.991 -0.037 7.458 263 HG2 GLU 43 1HG GLU 43 -1.820 2.083 6.251 264 HG3 GLU 43 2HG GLU 43 -2.586 1.023 5.084 265 H GLN 44 H GLN 44 1.492 -0.084 7.794 266 HA GLN 44 HA GLN 44 1.776 2.570 8.593 267 HB2 GLN 44 1HB GLN 44 3.051 1.710 10.391 268 HB3 GLN 44 2HB GLN 44 1.957 0.401 9.991 269 HG2 GLN 44 1HG GLN 44 3.877 -0.856 9.952 270 HG3 GLN 44 2HG GLN 44 4.026 -0.229 8.322 271 HE21 GLN 44 1HE2 GLN 44 6.302 -0.667 8.703 272 HE22 GLN 44 2HE2 GLN 44 7.298 0.529 9.463 273 H ALA 45 H ALA 45 3.542 0.523 6.337 274 HA ALA 45 HA ALA 45 5.893 2.198 6.387 275 HB1 ALA 45 3HB ALA 45 5.079 -0.100 4.560 276 HB2 ALA 45 1HB ALA 45 6.698 0.630 4.676 277 HB3 ALA 45 2HB ALA 45 6.022 -0.260 6.062 278 H CYS 46 H CYS 46 2.886 1.749 4.519 279 HA CYS 46 HA CYS 46 3.795 3.462 2.410 280 HB2 CYS 46 1HB CYS 46 2.303 1.648 1.877 281 HB3 CYS 46 2HB CYS 46 1.108 2.222 3.023 282 H GLN 47 H GLN 47 2.291 3.702 5.566 283 HA GLN 47 HA GLN 47 0.777 5.976 5.212 284 HB2 GLN 47 1HB GLN 47 2.053 4.565 7.524 285 HB3 GLN 47 2HB GLN 47 1.568 6.226 7.806 286 HG2 GLN 47 1HG GLN 47 -0.733 5.760 7.224 287 HG3 GLN 47 2HG GLN 47 -0.323 4.198 6.543 288 HE21 GLN 47 1HE2 GLN 47 -0.094 6.071 9.555 289 HE22 GLN 47 2HE2 GLN 47 -0.397 4.767 10.653 290 H MET 48 H MET 48 4.173 5.665 6.490 291 HA MET 48 HA MET 48 4.552 8.443 6.507 292 HB2 MET 48 1HB MET 48 6.323 5.975 6.720 293 HB3 MET 48 2HB MET 48 7.075 7.554 6.605 294 HG2 MET 48 1HG MET 48 5.172 8.042 8.543 295 HG3 MET 48 2HG MET 48 5.521 6.354 8.856 296 HE1 MET 48 3HE MET 48 6.774 7.012 11.380 297 HE2 MET 48 1HE MET 48 7.545 8.616 11.416 298 HE3 MET 48 2HE MET 48 5.868 8.447 10.844 299 H SER 49 H SER 49 5.263 5.823 4.157 300 HA SER 49 HA SER 49 6.896 7.355 2.509 301 HB2 SER 49 1HB SER 49 6.665 4.837 2.492 302 HB3 SER 49 2HB SER 49 5.099 5.017 1.727 303 HG SER 49 HG SER 49 7.702 5.461 0.661 304 H ALA 50 H ALA 50 3.347 6.601 2.430 305 HA ALA 50 HA ALA 50 2.659 7.824 0.098 306 HB1 ALA 50 3HB ALA 50 1.184 7.744 2.760 307 HB2 ALA 50 1HB ALA 50 0.436 8.154 1.198 308 HB3 ALA 50 2HB ALA 50 1.110 6.528 1.462 309 H GLN 51 H GLN 51 3.139 9.815 -0.672 310 HA GLN 51 HA GLN 51 3.472 11.922 1.298 311 HB2 GLN 51 1HB GLN 51 4.897 11.178 -1.078 312 HB3 GLN 51 2HB GLN 51 4.186 12.752 -1.378 313 HG2 GLN 51 1HG GLN 51 5.134 13.070 1.207 314 HG3 GLN 51 2HG GLN 51 6.328 11.977 0.538 315 HE21 GLN 51 1HE2 GLN 51 4.666 15.049 0.086 316 HE22 GLN 51 2HE2 GLN 51 5.883 15.841 -0.858 317 H CYS 52 H CYS 52 0.860 11.414 1.156 318 HA CYS 52 HA CYS 52 -0.154 13.422 -0.722 319 HB2 CYS 52 1HB CYS 52 -2.359 11.960 -0.204 320 HB3 CYS 52 2HB CYS 52 -1.316 11.728 -1.593 Start of MODEL 2 1 H1 ASN 1 1H ASN 1 11.349 -3.517 0.650 2 HA ASN 1 HA ASN 1 9.856 -4.667 -0.995 3 HB2 ASN 1 1HB ASN 1 11.244 -5.860 1.383 4 HB3 ASN 1 2HB ASN 1 10.139 -6.935 0.551 5 HD21 ASN 1 1HD2 ASN 1 10.502 -7.540 -1.567 6 HD22 ASN 1 2HD2 ASN 1 12.026 -7.341 -2.366 7 HA PRO 2 HA PRO 2 5.909 -4.758 1.133 8 HB2 PRO 2 1HB PRO 2 4.336 -4.630 -1.098 9 HB3 PRO 2 2HB PRO 2 4.917 -3.210 -0.252 10 HG2 PRO 2 1HG PRO 2 5.846 -4.348 -2.817 11 HG3 PRO 2 2HG PRO 2 6.101 -2.738 -2.175 12 HD2 PRO 2 1HD PRO 2 8.007 -4.880 -2.243 13 HD3 PRO 2 2HD PRO 2 8.222 -3.309 -1.497 14 H GLU 3 H GLU 3 7.587 -6.973 -0.515 15 HA GLU 3 HA GLU 3 5.673 -8.820 -1.214 16 HB2 GLU 3 1HB GLU 3 7.469 -10.379 -1.375 17 HB3 GLU 3 2HB GLU 3 8.187 -8.820 -1.726 18 HG2 GLU 3 1HG GLU 3 8.907 -8.652 0.695 19 HG3 GLU 3 2HG GLU 3 8.272 -10.263 0.966 20 H ASP 4 H ASP 4 7.133 -8.008 1.943 21 HA ASP 4 HA ASP 4 6.056 -10.318 3.195 22 HB2 ASP 4 1HB ASP 4 6.883 -7.835 4.708 23 HB3 ASP 4 2HB ASP 4 7.099 -9.514 5.160 24 H TRP 5 H TRP 5 4.935 -7.186 2.206 25 HA TRP 5 HA TRP 5 2.637 -7.409 4.029 26 HB2 TRP 5 1HB TRP 5 3.120 -4.746 2.950 27 HB3 TRP 5 2HB TRP 5 2.752 -5.259 4.585 28 HD1 TRP 5 HD TRP 5 5.248 -6.738 5.578 29 HE1 TRP 5 1HE TRP 5 7.666 -5.699 5.773 30 HE3 TRP 5 3HE TRP 5 4.488 -3.010 2.205 31 HZ2 TRP 5 2HZ TRP 5 8.960 -3.484 4.522 32 HZ3 TRP 5 3HZ TRP 5 6.380 -1.453 1.749 33 HH2 TRP 5 HH TRP 5 8.556 -1.644 2.845 34 H PHE 6 H PHE 6 1.271 -5.229 2.528 35 HA PHE 6 HA PHE 6 -0.151 -5.028 0.856 36 HB2 PHE 6 1HB PHE 6 1.784 -4.625 -0.550 37 HB3 PHE 6 2HB PHE 6 2.312 -6.292 -0.437 38 HD1 PHE 6 1HD PHE 6 -0.636 -4.361 -1.685 39 HD2 PHE 6 2HD PHE 6 2.010 -7.622 -2.291 40 HE1 PHE 6 1HE PHE 6 -1.759 -4.865 -3.872 41 HE2 PHE 6 2HE PHE 6 0.888 -8.127 -4.479 42 HZ PHE 6 HZ PHE 6 -0.984 -6.742 -5.243 43 H THR 7 H THR 7 -2.042 -6.136 0.765 44 HA THR 7 HA THR 7 -1.862 -9.050 0.373 45 HB THR 7 HB THR 7 -3.931 -9.153 1.701 46 HG1 THR 7 1HG THR 7 -4.682 -6.944 2.464 47 HG21 THR 7 3HG2 THR 7 -1.571 -8.506 2.864 48 HG22 THR 7 1HG2 THR 7 -2.455 -7.001 3.215 49 HG23 THR 7 2HG2 THR 7 -3.084 -8.560 3.800 50 HA PRO 8 HA PRO 8 -3.706 -7.820 -3.433 51 HB2 PRO 8 1HB PRO 8 -2.805 -9.944 -4.898 52 HB3 PRO 8 2HB PRO 8 -1.909 -8.447 -4.729 53 HG2 PRO 8 1HG PRO 8 -1.410 -11.061 -3.442 54 HG3 PRO 8 2HG PRO 8 -0.318 -9.702 -3.628 55 HD2 PRO 8 1HD PRO 8 -1.711 -10.471 -1.241 56 HD3 PRO 8 2HD PRO 8 -0.712 -9.048 -1.459 57 H ASP 9 H ASP 9 -4.322 -10.178 -1.241 58 HA ASP 9 HA ASP 9 -6.248 -11.532 -2.863 59 HB2 ASP 9 1HB ASP 9 -4.843 -12.032 -0.422 60 HB3 ASP 9 2HB ASP 9 -6.543 -11.988 0.002 61 H THR 10 H THR 10 -6.073 -8.552 -1.308 62 HA THR 10 HA THR 10 -8.973 -8.363 -1.153 63 HB THR 10 HB THR 10 -8.178 -9.037 1.143 64 HG1 THR 10 1HG THR 10 -9.832 -7.631 1.564 65 HG21 THR 10 3HG2 THR 10 -6.332 -8.066 2.070 66 HG22 THR 10 1HG2 THR 10 -6.097 -7.118 0.582 67 HG23 THR 10 2HG2 THR 10 -7.093 -6.466 1.905 68 H CYS 11 H CYS 11 -7.205 -7.457 -3.166 69 HA CYS 11 HA CYS 11 -7.724 -4.628 -2.878 70 HB2 CYS 11 1HB CYS 11 -5.250 -5.382 -2.190 71 HB3 CYS 11 2HB CYS 11 -5.018 -5.297 -3.924 72 H ALA 12 H ALA 12 -6.844 -3.641 -5.223 73 HA ALA 12 HA ALA 12 -8.121 -5.393 -7.183 74 HB1 ALA 12 3HB ALA 12 -8.823 -3.469 -8.244 75 HB2 ALA 12 1HB ALA 12 -8.693 -2.848 -6.581 76 HB3 ALA 12 2HB ALA 12 -7.386 -2.541 -7.751 77 H TYR 13 H TYR 13 -5.052 -3.974 -6.195 78 HA TYR 13 HA TYR 13 -3.822 -4.424 -8.768 79 HB2 TYR 13 1HB TYR 13 -2.716 -3.793 -5.961 80 HB3 TYR 13 2HB TYR 13 -1.837 -3.572 -7.461 81 HD1 TYR 13 2HD TYR 13 -4.340 -2.421 -8.981 82 HD2 TYR 13 1HD TYR 13 -2.461 -1.491 -5.251 83 HE1 TYR 13 2HE TYR 13 -5.205 -0.035 -9.132 84 HE2 TYR 13 1HE TYR 13 -3.333 0.892 -5.415 85 HH TYR 13 HH TYR 13 -5.761 1.796 -7.287 86 H GLY 14 H GLY 14 -2.360 -6.061 -9.303 87 HA2 GLY 14 1HA GLY 14 -2.421 -8.383 -7.502 88 HA3 GLY 14 2HA GLY 14 -2.085 -8.391 -9.221 89 H ASP 15 H ASP 15 -0.374 -5.775 -8.592 90 HA ASP 15 HA ASP 15 1.986 -7.336 -7.941 91 HB2 ASP 15 1HB ASP 15 2.035 -4.488 -8.972 92 HB3 ASP 15 2HB ASP 15 3.248 -5.738 -9.167 93 H SER 16 H SER 16 3.417 -6.590 -6.238 94 HA SER 16 HA SER 16 2.095 -4.944 -4.312 95 HB2 SER 16 1HB SER 16 3.888 -5.616 -2.807 96 HB3 SER 16 2HB SER 16 3.329 -7.029 -3.680 97 HG SER 16 HG SER 16 5.605 -5.457 -4.528 98 H ASN 17 H ASN 17 4.940 -4.829 -6.504 99 HA ASN 17 HA ASN 17 6.069 -2.537 -5.443 100 HB2 ASN 17 1HB ASN 17 6.777 -4.315 -7.397 101 HB3 ASN 17 2HB ASN 17 6.225 -3.000 -8.415 102 HD21 ASN 17 1HD2 ASN 17 7.617 -1.493 -8.918 103 HD22 ASN 17 2HD2 ASN 17 9.082 -1.095 -8.083 104 H THR 18 H THR 18 3.841 -3.095 -8.271 105 HA THR 18 HA THR 18 3.541 -0.339 -8.864 106 HB THR 18 HB THR 18 3.088 -2.696 -10.174 107 HG1 THR 18 1HG THR 18 2.187 -1.202 -11.693 108 HG21 THR 18 3HG2 THR 18 0.286 -1.622 -9.777 109 HG22 THR 18 1HG2 THR 18 0.802 -3.223 -10.360 110 HG23 THR 18 2HG2 THR 18 0.899 -2.834 -8.626 111 H ALA 19 H ALA 19 1.877 -2.610 -6.683 112 HA ALA 19 HA ALA 19 -0.422 -1.083 -6.278 113 HB1 ALA 19 3HB ALA 19 -0.529 -3.281 -5.504 114 HB2 ALA 19 1HB ALA 19 1.083 -3.205 -4.752 115 HB3 ALA 19 2HB ALA 19 -0.295 -2.377 -3.988 116 H TRP 20 H TRP 20 2.604 -1.303 -4.265 117 HA TRP 20 HA TRP 20 1.938 0.708 -2.499 118 HB2 TRP 20 1HB TRP 20 3.734 -0.756 -2.015 119 HB3 TRP 20 2HB TRP 20 4.589 -0.333 -3.485 120 HD1 TRP 20 HD TRP 20 5.180 2.590 -3.469 121 HE1 TRP 20 1HE TRP 20 6.369 3.976 -1.564 122 HE3 TRP 20 3HE TRP 20 4.180 -0.702 0.275 123 HZ2 TRP 20 2HZ TRP 20 6.750 3.549 1.232 124 HZ3 TRP 20 3HZ TRP 20 4.996 -0.142 2.563 125 HH2 TRP 20 HH TRP 20 6.240 1.900 3.070 126 H THR 21 H THR 21 3.857 0.855 -5.586 127 HA THR 21 HA THR 21 4.284 3.601 -5.567 128 HB THR 21 HB THR 21 4.379 1.315 -7.490 129 HG1 THR 21 1HG THR 21 6.478 2.020 -7.258 130 HG21 THR 21 3HG2 THR 21 5.035 3.145 -9.278 131 HG22 THR 21 1HG2 THR 21 3.316 2.725 -9.091 132 HG23 THR 21 2HG2 THR 21 3.957 4.206 -8.341 133 H THR 22 H THR 22 1.453 1.689 -6.637 134 HA THR 22 HA THR 22 0.175 3.976 -7.799 135 HB THR 22 HB THR 22 -0.670 1.122 -7.097 136 HG1 THR 22 1HG THR 22 0.506 1.064 -8.991 137 HG21 THR 22 3HG2 THR 22 -2.179 3.301 -8.635 138 HG22 THR 22 1HG2 THR 22 -2.624 1.578 -8.615 139 HG23 THR 22 2HG2 THR 22 -2.714 2.538 -7.118 140 H CYS 23 H CYS 23 0.627 2.774 -4.579 141 HA CYS 23 HA CYS 23 -1.778 4.072 -3.634 142 HB2 CYS 23 1HB CYS 23 0.071 2.059 -2.627 143 HB3 CYS 23 2HB CYS 23 -0.264 3.293 -1.429 144 H THR 24 H THR 24 1.784 4.439 -3.781 145 HA THR 24 HA THR 24 1.720 6.811 -2.117 146 HB THR 24 HB THR 24 4.251 6.695 -2.873 147 HG1 THR 24 1HG THR 24 3.407 5.133 -4.634 148 HG21 THR 24 3HG2 THR 24 3.196 4.201 -1.463 149 HG22 THR 24 1HG2 THR 24 4.758 5.018 -1.218 150 HG23 THR 24 2HG2 THR 24 3.256 5.781 -0.645 151 H THR 25 H THR 25 -0.044 7.463 -3.940 152 HA THR 25 HA THR 25 1.442 9.341 -5.624 153 HB THR 25 HB THR 25 -0.333 8.731 -7.442 154 HG1 THR 25 1HG THR 25 -1.112 6.496 -7.035 155 HG21 THR 25 3HG2 THR 25 0.975 6.238 -7.508 156 HG22 THR 25 1HG2 THR 25 1.546 7.728 -8.295 157 HG23 THR 25 2HG2 THR 25 2.132 7.299 -6.670 158 HA PRO 26 HA PRO 26 -1.539 12.120 -4.289 159 HB2 PRO 26 1HB PRO 26 -1.626 13.935 -6.330 160 HB3 PRO 26 2HB PRO 26 -0.360 13.916 -5.118 161 HG2 PRO 26 1HG PRO 26 -0.244 13.023 -7.934 162 HG3 PRO 26 2HG PRO 26 1.077 13.408 -6.849 163 HD2 PRO 26 1HD PRO 26 0.192 10.789 -7.612 164 HD3 PRO 26 2HD PRO 26 1.436 11.175 -6.440 165 H GLY 27 H GLY 27 -3.640 11.857 -3.918 166 HA2 GLY 27 1HA GLY 27 -5.458 12.003 -6.124 167 HA3 GLY 27 2HA GLY 27 -5.271 10.363 -5.535 168 H GLN 28 H GLN 28 -7.326 10.127 -4.588 169 HA GLN 28 HA GLN 28 -7.882 12.020 -2.442 170 HB2 GLN 28 1HB GLN 28 -9.582 10.680 -4.469 171 HB3 GLN 28 2HB GLN 28 -10.243 10.620 -2.847 172 HG2 GLN 28 1HG GLN 28 -10.977 12.744 -3.153 173 HG3 GLN 28 2HG GLN 28 -9.305 13.266 -3.084 174 HE21 GLN 28 1HE2 GLN 28 -11.969 12.340 -5.150 175 HE22 GLN 28 2HE2 GLN 28 -11.381 13.019 -6.631 176 H THR 29 H THR 29 -7.823 8.547 -3.408 177 HA THR 29 HA THR 29 -7.953 7.851 -0.549 178 HB THR 29 HB THR 29 -8.728 5.617 -1.451 179 HG1 THR 29 1HG THR 29 -8.300 5.416 -3.611 180 HG21 THR 29 3HG2 THR 29 -10.941 6.288 -2.078 181 HG22 THR 29 1HG2 THR 29 -10.378 7.614 -1.032 182 HG23 THR 29 2HG2 THR 29 -10.362 7.807 -2.801 183 H CYS 30 H CYS 30 -5.547 8.914 -1.542 184 HA CYS 30 HA CYS 30 -3.840 6.887 -2.468 185 HB2 CYS 30 1HB CYS 30 -3.093 9.024 -2.916 186 HB3 CYS 30 2HB CYS 30 -3.475 9.623 -1.314 187 H TYR 31 H TYR 31 -4.102 8.527 0.782 188 HA TYR 31 HA TYR 31 -2.550 6.507 2.050 189 HB2 TYR 31 1HB TYR 31 -2.663 8.866 2.826 190 HB3 TYR 31 2HB TYR 31 -4.413 8.804 2.899 191 HD1 TYR 31 2HD TYR 31 -5.503 7.279 4.650 192 HD2 TYR 31 1HD TYR 31 -1.348 8.298 4.709 193 HE1 TYR 31 2HE TYR 31 -5.371 6.627 7.104 194 HE2 TYR 31 1HE TYR 31 -1.230 7.642 7.163 195 HH TYR 31 HH TYR 31 -2.578 7.351 9.012 196 H THR 32 H THR 32 -5.840 6.695 1.028 197 HA THR 32 HA THR 32 -6.940 5.144 3.176 198 HB THR 32 HB THR 32 -7.890 6.081 0.427 199 HG1 THR 32 1HG THR 32 -7.636 7.538 2.348 200 HG21 THR 32 3HG2 THR 32 -8.963 3.836 1.437 201 HG22 THR 32 1HG2 THR 32 -9.744 4.983 2.552 202 HG23 THR 32 2HG2 THR 32 -10.009 5.127 0.798 203 H CYS 33 H CYS 33 -5.658 4.498 -0.117 204 HA CYS 33 HA CYS 33 -6.427 1.769 -0.019 205 HB2 CYS 33 1HB CYS 33 -5.318 1.531 -2.087 206 HB3 CYS 33 2HB CYS 33 -6.118 3.090 -2.108 207 H CYS 34 H CYS 34 -3.914 3.722 1.367 208 HA CYS 34 HA CYS 34 -1.827 1.858 1.378 209 HB2 CYS 34 1HB CYS 34 -2.470 4.263 3.074 210 HB3 CYS 34 2HB CYS 34 -1.071 3.259 3.402 211 H SER 35 H SER 35 -4.920 1.862 2.839 212 HA SER 35 HA SER 35 -3.956 0.085 4.941 213 HB2 SER 35 1HB SER 35 -5.073 2.057 5.865 214 HB3 SER 35 2HB SER 35 -6.458 1.823 4.818 215 HG SER 35 HG SER 35 -5.861 0.627 7.253 216 H SER 36 H SER 36 -5.172 0.056 1.877 217 HA SER 36 HA SER 36 -6.956 -2.178 2.442 218 HB2 SER 36 1HB SER 36 -7.257 0.106 0.757 219 HB3 SER 36 2HB SER 36 -7.067 -1.266 -0.316 220 HG SER 36 HG SER 36 -9.011 -1.991 0.232 221 H CYS 37 H CYS 37 -4.229 -0.964 0.421 222 HA CYS 37 HA CYS 37 -3.863 -3.625 -0.672 223 HB2 CYS 37 1HB CYS 37 -3.211 -0.922 -1.503 224 HB3 CYS 37 2HB CYS 37 -1.803 -1.961 -1.579 225 H PHE 38 H PHE 38 -3.493 -2.911 2.249 226 HA PHE 38 HA PHE 38 -0.911 -4.125 2.531 227 HB2 PHE 38 1HB PHE 38 -1.611 -1.285 3.474 228 HB3 PHE 38 2HB PHE 38 -0.267 -2.179 4.155 229 HD1 PHE 38 1HD PHE 38 0.976 -3.430 1.847 230 HD2 PHE 38 2HD PHE 38 -0.732 0.438 2.211 231 HE1 PHE 38 1HE PHE 38 2.463 -2.599 0.003 232 HE2 PHE 38 2HE PHE 38 0.754 1.268 0.367 233 HZ PHE 38 HZ PHE 38 2.334 -0.260 -0.715 234 H ASP 39 H ASP 39 -0.414 -4.356 5.024 235 HA ASP 39 HA ASP 39 -2.984 -4.931 6.270 236 HB2 ASP 39 1HB ASP 39 -1.678 -6.954 5.903 237 HB3 ASP 39 2HB ASP 39 -0.234 -6.211 6.561 238 H VAL 40 H VAL 40 -0.022 -5.270 8.126 239 HA VAL 40 HA VAL 40 -0.781 -2.953 9.719 240 HB VAL 40 HB VAL 40 -0.474 -5.214 10.720 241 HG11 VAL 40 1HG1 VAL 40 2.481 -4.767 10.187 242 HG12 VAL 40 2HG1 VAL 40 1.727 -6.158 11.002 243 HG13 VAL 40 3HG1 VAL 40 1.449 -5.886 9.265 244 HG21 VAL 40 3HG2 VAL 40 0.031 -4.208 12.660 245 HG22 VAL 40 1HG2 VAL 40 1.652 -3.740 12.093 246 HG23 VAL 40 2HG2 VAL 40 0.245 -2.722 11.703 247 H VAL 41 H VAL 41 2.164 -4.433 8.188 248 HA VAL 41 HA VAL 41 3.708 -2.091 8.621 249 HB VAL 41 HB VAL 41 4.119 -4.478 6.810 250 HG11 VAL 41 1HG1 VAL 41 6.498 -3.848 6.835 251 HG12 VAL 41 2HG1 VAL 41 5.491 -2.571 6.112 252 HG13 VAL 41 3HG1 VAL 41 6.102 -2.388 7.774 253 HG21 VAL 41 3HG2 VAL 41 4.105 -5.441 8.901 254 HG22 VAL 41 1HG2 VAL 41 5.815 -4.961 8.783 255 HG23 VAL 41 2HG2 VAL 41 4.672 -3.960 9.711 256 H GLY 42 H GLY 42 2.560 -3.652 5.540 257 HA2 GLY 42 1HA GLY 42 3.130 -1.816 3.707 258 HA3 GLY 42 2HA GLY 42 1.599 -2.668 3.725 259 H GLU 43 H GLU 43 0.715 -1.431 6.322 260 HA GLU 43 HA GLU 43 -0.363 0.922 5.139 261 HB2 GLU 43 1HB GLU 43 -1.438 -0.854 6.816 262 HB3 GLU 43 2HB GLU 43 -0.765 0.202 8.043 263 HG2 GLU 43 1HG GLU 43 -2.161 1.688 5.897 264 HG3 GLU 43 2HG GLU 43 -3.212 0.564 6.735 265 H GLN 44 H GLN 44 1.490 0.229 8.199 266 HA GLN 44 HA GLN 44 1.947 2.917 8.732 267 HB2 GLN 44 1HB GLN 44 3.313 2.153 10.518 268 HB3 GLN 44 2HB GLN 44 2.114 0.891 10.315 269 HG2 GLN 44 1HG GLN 44 3.808 -0.594 10.062 270 HG3 GLN 44 2HG GLN 44 4.190 0.173 8.534 271 HE21 GLN 44 1HE2 GLN 44 6.317 0.264 8.473 272 HE22 GLN 44 2HE2 GLN 44 7.358 0.974 9.662 273 H ALA 45 H ALA 45 3.337 0.745 6.412 274 HA ALA 45 HA ALA 45 5.851 2.166 6.261 275 HB1 ALA 45 3HB ALA 45 6.348 0.530 4.499 276 HB2 ALA 45 1HB ALA 45 5.704 -0.293 5.941 277 HB3 ALA 45 2HB ALA 45 4.659 -0.034 4.523 278 H CYS 46 H CYS 46 2.752 1.829 4.452 279 HA CYS 46 HA CYS 46 3.620 3.512 2.342 280 HB2 CYS 46 1HB CYS 46 1.900 1.790 2.047 281 HB3 CYS 46 2HB CYS 46 0.837 2.641 3.150 282 H GLN 47 H GLN 47 2.115 3.878 5.539 283 HA GLN 47 HA GLN 47 0.926 6.321 5.230 284 HB2 GLN 47 1HB GLN 47 2.084 4.780 7.529 285 HB3 GLN 47 2HB GLN 47 1.740 6.475 7.810 286 HG2 GLN 47 1HG GLN 47 -0.585 5.835 6.605 287 HG3 GLN 47 2HG GLN 47 -0.166 4.229 7.170 288 HE21 GLN 47 1HE2 GLN 47 0.233 7.526 8.468 289 HE22 GLN 47 2HE2 GLN 47 -0.521 7.249 10.003 290 H MET 48 H MET 48 4.319 5.554 6.276 291 HA MET 48 HA MET 48 5.060 8.229 6.513 292 HB2 MET 48 1HB MET 48 7.408 7.228 6.452 293 HB3 MET 48 2HB MET 48 6.341 6.435 7.594 294 HG2 MET 48 1HG MET 48 5.981 4.557 6.113 295 HG3 MET 48 2HG MET 48 6.671 5.406 4.744 296 HE1 MET 48 3HE MET 48 8.895 6.692 5.164 297 HE2 MET 48 1HE MET 48 10.350 5.862 5.767 298 HE3 MET 48 2HE MET 48 9.550 5.291 4.282 299 H SER 49 H SER 49 4.935 5.963 3.770 300 HA SER 49 HA SER 49 6.443 7.795 2.139 301 HB2 SER 49 1HB SER 49 5.537 4.963 1.945 302 HB3 SER 49 2HB SER 49 5.560 5.832 0.423 303 HG SER 49 HG SER 49 7.856 6.479 1.640 304 H ALA 50 H ALA 50 3.403 7.832 3.327 305 HA ALA 50 HA ALA 50 1.750 7.989 1.072 306 HB1 ALA 50 3HB ALA 50 1.285 9.575 3.597 307 HB2 ALA 50 1HB ALA 50 0.117 8.684 2.593 308 HB3 ALA 50 2HB ALA 50 1.247 7.796 3.643 309 H GLN 51 H GLN 51 3.027 9.189 -0.503 310 HA GLN 51 HA GLN 51 3.478 11.958 0.173 311 HB2 GLN 51 1HB GLN 51 5.038 10.239 -1.196 312 HB3 GLN 51 2HB GLN 51 4.105 10.847 -2.550 313 HG2 GLN 51 1HG GLN 51 5.575 12.622 -0.543 314 HG3 GLN 51 2HG GLN 51 6.223 12.155 -2.103 315 HE21 GLN 51 1HE2 GLN 51 5.320 12.934 -4.001 316 HE22 GLN 51 2HE2 GLN 51 4.283 14.320 -4.056 317 H CYS 52 H CYS 52 0.982 12.132 0.336 318 HA CYS 52 HA CYS 52 0.029 12.935 -2.303 319 HB2 CYS 52 1HB CYS 52 -2.282 12.103 -1.134 320 HB3 CYS 52 2HB CYS 52 -1.367 11.207 -2.330 Start of MODEL 3 1 H1 ASN 1 1H ASN 1 11.617 -5.355 1.364 2 HA ASN 1 HA ASN 1 9.984 -4.112 -0.444 3 HB2 ASN 1 1HB ASN 1 11.250 -6.691 -0.113 4 HB3 ASN 1 2HB ASN 1 9.592 -6.984 -0.600 5 HD21 ASN 1 1HD2 ASN 1 9.511 -7.347 -2.676 6 HD22 ASN 1 2HD2 ASN 1 10.308 -6.459 -3.931 7 HA PRO 2 HA PRO 2 5.991 -4.859 1.210 8 HB2 PRO 2 1HB PRO 2 4.431 -4.761 -1.031 9 HB3 PRO 2 2HB PRO 2 5.019 -3.329 -0.209 10 HG2 PRO 2 1HG PRO 2 5.952 -4.523 -2.747 11 HG3 PRO 2 2HG PRO 2 6.217 -2.904 -2.133 12 HD2 PRO 2 1HD PRO 2 8.106 -5.063 -2.151 13 HD3 PRO 2 2HD PRO 2 8.330 -3.479 -1.434 14 H GLU 3 H GLU 3 7.647 -7.114 -0.426 15 HA GLU 3 HA GLU 3 5.719 -8.957 -1.080 16 HB2 GLU 3 1HB GLU 3 7.522 -10.586 -1.090 17 HB3 GLU 3 2HB GLU 3 8.151 -9.066 -1.694 18 HG2 GLU 3 1HG GLU 3 9.006 -8.554 0.642 19 HG3 GLU 3 2HG GLU 3 8.485 -10.150 1.142 20 H ASP 4 H ASP 4 7.046 -7.986 2.056 21 HA ASP 4 HA ASP 4 6.009 -10.310 3.356 22 HB2 ASP 4 1HB ASP 4 8.077 -8.713 3.962 23 HB3 ASP 4 2HB ASP 4 6.849 -7.799 4.816 24 H TRP 5 H TRP 5 4.918 -7.190 2.294 25 HA TRP 5 HA TRP 5 2.596 -7.374 4.090 26 HB2 TRP 5 1HB TRP 5 3.159 -4.716 3.018 27 HB3 TRP 5 2HB TRP 5 2.709 -5.217 4.636 28 HD1 TRP 5 HD TRP 5 5.101 -6.696 5.795 29 HE1 TRP 5 1HE TRP 5 7.540 -5.728 6.072 30 HE3 TRP 5 3HE TRP 5 4.632 -3.081 2.251 31 HZ2 TRP 5 2HZ TRP 5 8.967 -3.605 4.805 32 HZ3 TRP 5 3HZ TRP 5 6.595 -1.603 1.833 33 HH2 TRP 5 HH TRP 5 8.708 -1.821 3.042 34 H PHE 6 H PHE 6 1.314 -5.150 2.551 35 HA PHE 6 HA PHE 6 -0.070 -4.922 0.851 36 HB2 PHE 6 1HB PHE 6 1.927 -4.599 -0.504 37 HB3 PHE 6 2HB PHE 6 2.362 -6.293 -0.401 38 HD1 PHE 6 2HD PHE 6 -0.388 -4.135 -1.715 39 HD2 PHE 6 1HD PHE 6 1.947 -7.640 -2.229 40 HE1 PHE 6 2HE PHE 6 -1.504 -4.554 -3.924 41 HE2 PHE 6 1HE PHE 6 0.832 -8.060 -4.438 42 HZ PHE 6 HZ PHE 6 -0.881 -6.512 -5.260 43 H THR 7 H THR 7 -1.989 -5.983 0.789 44 HA THR 7 HA THR 7 -1.888 -8.900 0.391 45 HB THR 7 HB THR 7 -3.986 -8.929 1.694 46 HG1 THR 7 1HG THR 7 -3.533 -6.055 1.952 47 HG21 THR 7 3HG2 THR 7 -1.779 -8.680 3.005 48 HG22 THR 7 1HG2 THR 7 -2.122 -6.935 3.073 49 HG23 THR 7 2HG2 THR 7 -3.232 -8.091 3.848 50 HA PRO 8 HA PRO 8 -3.678 -7.644 -3.428 51 HB2 PRO 8 1HB PRO 8 -2.869 -9.823 -4.864 52 HB3 PRO 8 2HB PRO 8 -1.907 -8.366 -4.710 53 HG2 PRO 8 1HG PRO 8 -1.530 -10.985 -3.390 54 HG3 PRO 8 2HG PRO 8 -0.378 -9.679 -3.587 55 HD2 PRO 8 1HD PRO 8 -1.812 -10.355 -1.197 56 HD3 PRO 8 2HD PRO 8 -0.750 -8.981 -1.428 57 H ASP 9 H ASP 9 -4.277 -10.162 -1.315 58 HA ASP 9 HA ASP 9 -6.265 -11.409 -2.881 59 HB2 ASP 9 1HB ASP 9 -4.952 -11.841 -0.380 60 HB3 ASP 9 2HB ASP 9 -6.660 -11.721 -0.006 61 H THR 10 H THR 10 -6.042 -8.389 -1.353 62 HA THR 10 HA THR 10 -8.939 -8.087 -1.371 63 HB THR 10 HB THR 10 -8.240 -8.763 0.977 64 HG1 THR 10 1HG THR 10 -8.971 -5.953 0.536 65 HG21 THR 10 3HG2 THR 10 -7.109 -6.002 1.350 66 HG22 THR 10 1HG2 THR 10 -6.747 -7.499 2.242 67 HG23 THR 10 2HG2 THR 10 -6.016 -7.216 0.644 68 H CYS 11 H CYS 11 -7.027 -7.278 -3.295 69 HA CYS 11 HA CYS 11 -7.507 -4.446 -3.133 70 HB2 CYS 11 1HB CYS 11 -5.101 -5.245 -2.174 71 HB3 CYS 11 2HB CYS 11 -4.709 -5.067 -3.873 72 H ALA 12 H ALA 12 -6.921 -3.432 -5.347 73 HA ALA 12 HA ALA 12 -7.536 -5.413 -7.403 74 HB1 ALA 12 3HB ALA 12 -8.307 -2.678 -6.822 75 HB2 ALA 12 1HB ALA 12 -7.601 -2.785 -8.452 76 HB3 ALA 12 2HB ALA 12 -8.989 -3.811 -8.014 77 H TYR 13 H TYR 13 -5.002 -5.837 -6.608 78 HA TYR 13 HA TYR 13 -3.489 -4.795 -8.865 79 HB2 TYR 13 1HB TYR 13 -2.547 -4.819 -5.932 80 HB3 TYR 13 2HB TYR 13 -1.641 -4.178 -7.288 81 HD1 TYR 13 1HD TYR 13 -4.772 -3.659 -5.319 82 HD2 TYR 13 2HD TYR 13 -1.844 -1.912 -7.904 83 HE1 TYR 13 1HE TYR 13 -5.771 -1.357 -4.907 84 HE2 TYR 13 2HE TYR 13 -2.853 0.383 -7.483 85 HH TYR 13 HH TYR 13 -5.320 0.851 -5.057 86 H GLY 14 H GLY 14 -1.888 -6.223 -9.611 87 HA2 GLY 14 1HA GLY 14 -2.028 -8.905 -8.416 88 HA3 GLY 14 2HA GLY 14 -1.531 -8.503 -10.048 89 H ASP 15 H ASP 15 0.052 -6.094 -8.797 90 HA ASP 15 HA ASP 15 2.300 -7.749 -7.956 91 HB2 ASP 15 1HB ASP 15 2.434 -4.983 -9.232 92 HB3 ASP 15 2HB ASP 15 3.776 -6.073 -8.949 93 H SER 16 H SER 16 3.618 -6.876 -6.180 94 HA SER 16 HA SER 16 2.088 -5.241 -4.423 95 HB2 SER 16 1HB SER 16 3.916 -5.682 -2.813 96 HB3 SER 16 2HB SER 16 3.360 -7.166 -3.561 97 HG SER 16 HG SER 16 5.435 -5.945 -4.985 98 H ASN 17 H ASN 17 4.903 -4.934 -6.588 99 HA ASN 17 HA ASN 17 5.940 -2.607 -5.506 100 HB2 ASN 17 1HB ASN 17 6.915 -4.216 -7.329 101 HB3 ASN 17 2HB ASN 17 5.962 -3.301 -8.480 102 HD21 ASN 17 1HD2 ASN 17 8.938 -3.648 -7.607 103 HD22 ASN 17 2HD2 ASN 17 9.574 -2.037 -7.646 104 H THR 18 H THR 18 3.601 -3.252 -8.216 105 HA THR 18 HA THR 18 3.174 -0.522 -8.830 106 HB THR 18 HB THR 18 2.786 -2.701 -10.235 107 HG1 THR 18 1HG THR 18 2.121 -0.606 -10.972 108 HG21 THR 18 3HG2 THR 18 1.097 -3.547 -8.353 109 HG22 THR 18 1HG2 THR 18 -0.034 -2.427 -9.150 110 HG23 THR 18 2HG2 THR 18 0.683 -3.771 -10.070 111 H ALA 19 H ALA 19 1.705 -2.800 -6.512 112 HA ALA 19 HA ALA 19 -0.588 -1.312 -5.969 113 HB1 ALA 19 3HB ALA 19 -0.713 -2.683 -3.966 114 HB2 ALA 19 1HB ALA 19 -0.118 -3.688 -5.309 115 HB3 ALA 19 2HB ALA 19 1.018 -3.080 -4.081 116 H TRP 20 H TRP 20 2.541 -1.465 -4.112 117 HA TRP 20 HA TRP 20 1.940 0.594 -2.372 118 HB2 TRP 20 1HB TRP 20 3.753 -0.896 -1.950 119 HB3 TRP 20 2HB TRP 20 4.570 -0.439 -3.431 120 HD1 TRP 20 HD TRP 20 5.085 2.509 -3.376 121 HE1 TRP 20 1HE TRP 20 6.302 3.881 -1.479 122 HE3 TRP 20 3HE TRP 20 4.287 -0.890 0.321 123 HZ2 TRP 20 2HZ TRP 20 6.783 3.402 1.293 124 HZ3 TRP 20 3HZ TRP 20 5.163 -0.361 2.594 125 HH2 TRP 20 HH TRP 20 6.374 1.700 3.108 126 H THR 21 H THR 21 3.551 0.607 -5.619 127 HA THR 21 HA THR 21 4.153 3.313 -5.720 128 HB THR 21 HB THR 21 3.749 1.030 -7.633 129 HG1 THR 21 1HG THR 21 5.942 1.772 -8.046 130 HG21 THR 21 3HG2 THR 21 3.389 3.920 -8.353 131 HG22 THR 21 1HG2 THR 21 4.564 3.016 -9.338 132 HG23 THR 21 2HG2 THR 21 2.875 2.464 -9.237 133 H THR 22 H THR 22 1.240 1.677 -7.147 134 HA THR 22 HA THR 22 -0.031 4.068 -7.825 135 HB THR 22 HB THR 22 -1.057 1.250 -7.205 136 HG1 THR 22 1HG THR 22 0.543 1.880 -9.013 137 HG21 THR 22 3HG2 THR 22 -2.989 2.783 -7.165 138 HG22 THR 22 1HG2 THR 22 -2.388 3.622 -8.615 139 HG23 THR 22 2HG2 THR 22 -2.962 1.941 -8.733 140 H CYS 23 H CYS 23 0.531 2.623 -4.720 141 HA CYS 23 HA CYS 23 -1.755 3.827 -3.498 142 HB2 CYS 23 1HB CYS 23 0.215 1.889 -2.790 143 HB3 CYS 23 2HB CYS 23 0.253 3.159 -1.583 144 H THR 24 H THR 24 1.776 4.455 -3.887 145 HA THR 24 HA THR 24 1.598 6.885 -2.318 146 HB THR 24 HB THR 24 4.104 6.913 -3.183 147 HG1 THR 24 1HG THR 24 3.891 5.328 -4.827 148 HG21 THR 24 3HG2 THR 24 3.802 6.235 -0.893 149 HG22 THR 24 1HG2 THR 24 2.894 4.780 -1.367 150 HG23 THR 24 2HG2 THR 24 4.647 4.869 -1.658 151 H THR 25 H THR 25 -0.232 7.562 -3.907 152 HA THR 25 HA THR 25 1.046 9.377 -5.790 153 HB THR 25 HB THR 25 -0.770 8.616 -7.502 154 HG1 THR 25 1HG THR 25 -2.039 7.114 -6.464 155 HG21 THR 25 3HG2 THR 25 0.550 6.687 -8.300 156 HG22 THR 25 1HG2 THR 25 1.664 7.958 -7.744 157 HG23 THR 25 2HG2 THR 25 1.343 6.543 -6.713 158 HA PRO 26 HA PRO 26 -2.006 12.027 -4.359 159 HB2 PRO 26 1HB PRO 26 -2.237 13.816 -6.413 160 HB3 PRO 26 2HB PRO 26 -0.936 13.866 -5.240 161 HG2 PRO 26 1HG PRO 26 -0.864 12.951 -8.050 162 HG3 PRO 26 2HG PRO 26 0.470 13.407 -7.010 163 HD2 PRO 26 1HD PRO 26 -0.318 10.742 -7.723 164 HD3 PRO 26 2HD PRO 26 0.942 11.196 -6.592 165 H GLY 27 H GLY 27 -4.143 11.990 -3.992 166 HA2 GLY 27 1HA GLY 27 -5.993 11.920 -6.127 167 HA3 GLY 27 2HA GLY 27 -5.750 10.297 -5.511 168 H GLN 28 H GLN 28 -7.776 10.029 -4.511 169 HA GLN 28 HA GLN 28 -8.346 11.961 -2.404 170 HB2 GLN 28 1HB GLN 28 -9.990 10.849 -4.456 171 HB3 GLN 28 2HB GLN 28 -10.557 10.159 -2.949 172 HG2 GLN 28 1HG GLN 28 -10.724 12.450 -1.959 173 HG3 GLN 28 2HG GLN 28 -10.147 13.144 -3.461 174 HE21 GLN 28 1HE2 GLN 28 -11.453 13.284 -5.228 175 HE22 GLN 28 2HE2 GLN 28 -13.154 12.959 -5.214 176 H THR 29 H THR 29 -7.560 8.624 -3.183 177 HA THR 29 HA THR 29 -7.820 7.963 -0.325 178 HB THR 29 HB THR 29 -8.418 5.647 -1.106 179 HG1 THR 29 1HG THR 29 -7.968 5.337 -3.248 180 HG21 THR 29 3HG2 THR 29 -10.530 6.528 -2.608 181 HG22 THR 29 1HG2 THR 29 -10.505 6.633 -0.831 182 HG23 THR 29 2HG2 THR 29 -10.068 8.052 -1.813 183 H CYS 30 H CYS 30 -5.535 9.207 -1.411 184 HA CYS 30 HA CYS 30 -3.630 7.481 -2.384 185 HB2 CYS 30 1HB CYS 30 -3.076 9.721 -2.484 186 HB3 CYS 30 2HB CYS 30 -3.537 10.032 -0.822 187 H TYR 31 H TYR 31 -3.784 8.702 1.045 188 HA TYR 31 HA TYR 31 -2.202 6.601 2.036 189 HB2 TYR 31 1HB TYR 31 -2.359 8.665 3.282 190 HB3 TYR 31 2HB TYR 31 -4.093 8.770 3.052 191 HD1 TYR 31 2HD TYR 31 -1.406 7.185 5.026 192 HD2 TYR 31 1HD TYR 31 -5.632 7.665 4.564 193 HE1 TYR 31 2HE TYR 31 -1.779 6.191 7.336 194 HE2 TYR 31 1HE TYR 31 -5.991 6.670 6.876 195 HH TYR 31 HH TYR 31 -3.213 5.709 8.875 196 H THR 32 H THR 32 -5.672 6.938 1.406 197 HA THR 32 HA THR 32 -6.550 4.927 3.181 198 HB THR 32 HB THR 32 -7.654 6.229 0.647 199 HG1 THR 32 1HG THR 32 -7.455 7.443 2.687 200 HG21 THR 32 3HG2 THR 32 -8.740 3.984 2.345 201 HG22 THR 32 1HG2 THR 32 -9.863 5.290 1.896 202 HG23 THR 32 2HG2 THR 32 -9.044 4.346 0.629 203 H CYS 33 H CYS 33 -5.486 4.864 -0.262 204 HA CYS 33 HA CYS 33 -6.168 2.262 -0.795 205 HB2 CYS 33 1HB CYS 33 -5.499 3.338 -2.673 206 HB3 CYS 33 2HB CYS 33 -4.208 4.208 -1.867 207 H CYS 34 H CYS 34 -3.335 3.686 0.909 208 HA CYS 34 HA CYS 34 -1.817 1.362 1.054 209 HB2 CYS 34 1HB CYS 34 -1.911 3.706 2.964 210 HB3 CYS 34 2HB CYS 34 -0.661 2.479 2.925 211 H SER 35 H SER 35 -4.719 2.483 2.716 212 HA SER 35 HA SER 35 -4.374 0.496 4.785 213 HB2 SER 35 1HB SER 35 -6.169 1.577 5.932 214 HB3 SER 35 2HB SER 35 -5.201 2.870 5.252 215 HG SER 35 HG SER 35 -6.824 2.595 3.331 216 H SER 36 H SER 36 -5.340 0.494 1.628 217 HA SER 36 HA SER 36 -7.364 -1.532 2.178 218 HB2 SER 36 1HB SER 36 -7.573 0.894 0.575 219 HB3 SER 36 2HB SER 36 -7.817 -0.513 -0.440 220 HG SER 36 HG SER 36 -9.597 -1.126 0.733 221 H CYS 37 H CYS 37 -4.312 -1.478 1.665 222 HA CYS 37 HA CYS 37 -4.399 -3.497 -0.427 223 HB2 CYS 37 1HB CYS 37 -3.294 -0.901 -0.804 224 HB3 CYS 37 2HB CYS 37 -1.959 -2.032 -0.711 225 H PHE 38 H PHE 38 -2.473 -1.702 2.073 226 HA PHE 38 HA PHE 38 -0.856 -4.048 2.544 227 HB2 PHE 38 1HB PHE 38 -1.076 -1.266 3.845 228 HB3 PHE 38 2HB PHE 38 0.189 -2.419 4.222 229 HD1 PHE 38 1HD PHE 38 1.527 -3.286 2.083 230 HD2 PHE 38 2HD PHE 38 -0.611 0.373 2.293 231 HE1 PHE 38 1HE PHE 38 2.926 -2.361 0.215 232 HE2 PHE 38 2HE PHE 38 0.788 1.298 0.425 233 HZ PHE 38 HZ PHE 38 2.540 -0.080 -0.591 234 H ASP 39 H ASP 39 -0.402 -4.362 5.110 235 HA ASP 39 HA ASP 39 -3.056 -4.832 6.203 236 HB2 ASP 39 1HB ASP 39 -1.586 -6.383 7.777 237 HB3 ASP 39 2HB ASP 39 -2.032 -6.925 6.172 238 H VAL 40 H VAL 40 -0.227 -5.208 8.255 239 HA VAL 40 HA VAL 40 -1.053 -2.863 9.779 240 HB VAL 40 HB VAL 40 -0.911 -5.113 10.827 241 HG11 VAL 40 1HG1 VAL 40 1.218 -6.149 11.278 242 HG12 VAL 40 2HG1 VAL 40 1.082 -5.886 9.523 243 HG13 VAL 40 3HG1 VAL 40 2.091 -4.802 10.510 244 HG21 VAL 40 3HG2 VAL 40 0.989 -3.013 11.925 245 HG22 VAL 40 1HG2 VAL 40 -0.769 -3.090 12.189 246 HG23 VAL 40 2HG2 VAL 40 0.286 -4.362 12.850 247 H VAL 41 H VAL 41 1.957 -4.456 8.511 248 HA VAL 41 HA VAL 41 3.535 -2.157 9.048 249 HB VAL 41 HB VAL 41 3.978 -4.634 7.374 250 HG11 VAL 41 1HG1 VAL 41 6.287 -4.064 7.199 251 HG12 VAL 41 2HG1 VAL 41 5.366 -2.634 6.674 252 HG13 VAL 41 3HG1 VAL 41 6.099 -2.674 8.295 253 HG21 VAL 41 3HG2 VAL 41 5.612 -5.018 9.402 254 HG22 VAL 41 1HG2 VAL 41 4.515 -3.890 10.233 255 HG23 VAL 41 2HG2 VAL 41 3.881 -5.406 9.549 256 H GLY 42 H GLY 42 2.884 -3.731 5.842 257 HA2 GLY 42 1HA GLY 42 3.580 -1.855 4.118 258 HA3 GLY 42 2HA GLY 42 2.100 -2.774 3.920 259 H GLU 43 H GLU 43 0.753 -1.630 6.320 260 HA GLU 43 HA GLU 43 -0.300 0.642 5.026 261 HB2 GLU 43 1HB GLU 43 -1.506 -1.070 6.557 262 HB3 GLU 43 2HB GLU 43 -0.830 -0.179 7.905 263 HG2 GLU 43 1HG GLU 43 -1.869 1.939 6.918 264 HG3 GLU 43 2HG GLU 43 -2.674 0.925 5.737 265 H GLN 44 H GLN 44 1.424 0.162 8.197 266 HA GLN 44 HA GLN 44 1.679 2.938 8.583 267 HB2 GLN 44 1HB GLN 44 2.717 2.382 10.615 268 HB3 GLN 44 2HB GLN 44 1.685 0.996 10.329 269 HG2 GLN 44 1HG GLN 44 3.652 -0.193 9.263 270 HG3 GLN 44 2HG GLN 44 4.665 1.173 9.683 271 HE21 GLN 44 1HE2 GLN 44 5.970 0.399 11.188 272 HE22 GLN 44 2HE2 GLN 44 5.496 -0.330 12.686 273 H ALA 45 H ALA 45 3.301 0.679 6.571 274 HA ALA 45 HA ALA 45 5.855 2.028 6.673 275 HB1 ALA 45 3HB ALA 45 5.588 0.221 4.455 276 HB2 ALA 45 1HB ALA 45 6.541 0.019 5.945 277 HB3 ALA 45 2HB ALA 45 4.849 -0.532 5.889 278 H CYS 46 H CYS 46 2.984 1.709 4.515 279 HA CYS 46 HA CYS 46 4.130 3.300 2.475 280 HB2 CYS 46 1HB CYS 46 2.449 1.713 1.893 281 HB3 CYS 46 2HB CYS 46 1.309 2.388 3.040 282 H GLN 47 H GLN 47 2.594 3.866 5.567 283 HA GLN 47 HA GLN 47 1.342 6.253 5.143 284 HB2 GLN 47 1HB GLN 47 2.053 4.642 7.352 285 HB3 GLN 47 2HB GLN 47 2.760 6.206 7.706 286 HG2 GLN 47 1HG GLN 47 0.126 6.674 6.636 287 HG3 GLN 47 2HG GLN 47 -0.018 5.417 7.848 288 HE21 GLN 47 1HE2 GLN 47 -0.852 6.421 9.539 289 HE22 GLN 47 2HE2 GLN 47 -0.187 7.800 10.349 290 H MET 48 H MET 48 4.805 5.613 6.004 291 HA MET 48 HA MET 48 5.508 8.302 6.115 292 HB2 MET 48 1HB MET 48 6.930 5.644 5.834 293 HB3 MET 48 2HB MET 48 7.869 7.089 5.518 294 HG2 MET 48 1HG MET 48 6.327 7.513 7.937 295 HG3 MET 48 2HG MET 48 7.151 5.972 8.069 296 HE1 MET 48 3HE MET 48 8.657 9.968 8.812 297 HE2 MET 48 1HE MET 48 7.056 9.191 8.865 298 HE3 MET 48 2HE MET 48 8.316 8.715 10.030 299 H SER 49 H SER 49 5.314 5.936 3.440 300 HA SER 49 HA SER 49 6.654 7.718 1.652 301 HB2 SER 49 1HB SER 49 5.534 4.943 1.542 302 HB3 SER 49 2HB SER 49 5.586 5.813 0.021 303 HG SER 49 HG SER 49 7.961 6.279 1.111 304 H ALA 50 H ALA 50 3.583 7.582 3.028 305 HA ALA 50 HA ALA 50 1.870 7.967 0.871 306 HB1 ALA 50 3HB ALA 50 1.355 7.509 3.344 307 HB2 ALA 50 1HB ALA 50 1.596 9.253 3.607 308 HB3 ALA 50 2HB ALA 50 0.307 8.687 2.518 309 H GLN 51 H GLN 51 2.467 9.384 -0.744 310 HA GLN 51 HA GLN 51 3.479 11.959 0.056 311 HB2 GLN 51 1HB GLN 51 4.556 10.693 -1.806 312 HB3 GLN 51 2HB GLN 51 3.062 10.760 -2.719 313 HG2 GLN 51 1HG GLN 51 3.628 13.446 -1.899 314 HG3 GLN 51 2HG GLN 51 5.140 12.779 -2.482 315 HE21 GLN 51 1HE2 GLN 51 2.452 14.405 -3.355 316 HE22 GLN 51 2HE2 GLN 51 2.354 14.039 -5.045 317 H CYS 52 H CYS 52 1.031 11.951 1.072 318 HA CYS 52 HA CYS 52 -0.480 13.569 -0.830 319 HB2 CYS 52 1HB CYS 52 -2.513 12.453 0.529 320 HB3 CYS 52 2HB CYS 52 -1.935 11.885 -1.025 Start of MODEL 4 1 H1 ASN 1 1H ASN 1 11.747 -4.711 0.857 2 HA ASN 1 HA ASN 1 9.859 -3.776 -0.661 3 HB2 ASN 1 1HB ASN 1 11.023 -6.495 -0.311 4 HB3 ASN 1 2HB ASN 1 9.487 -6.502 -1.155 5 HD21 ASN 1 1HD2 ASN 1 12.488 -4.584 -1.025 6 HD22 ASN 1 2HD2 ASN 1 12.702 -4.394 -2.733 7 HA PRO 2 HA PRO 2 5.978 -4.729 1.149 8 HB2 PRO 2 1HB PRO 2 4.314 -4.590 -1.014 9 HB3 PRO 2 2HB PRO 2 4.890 -3.175 -0.155 10 HG2 PRO 2 1HG PRO 2 5.745 -4.223 -2.783 11 HG3 PRO 2 2HG PRO 2 5.982 -2.623 -2.110 12 HD2 PRO 2 1HD PRO 2 7.941 -4.709 -2.309 13 HD3 PRO 2 2HD PRO 2 8.144 -3.152 -1.532 14 H GLU 3 H GLU 3 7.644 -6.854 -0.628 15 HA GLU 3 HA GLU 3 5.741 -8.736 -1.279 16 HB2 GLU 3 1HB GLU 3 7.595 -10.288 -1.474 17 HB3 GLU 3 2HB GLU 3 8.142 -8.717 -2.025 18 HG2 GLU 3 1HG GLU 3 9.225 -8.284 0.157 19 HG3 GLU 3 2HG GLU 3 8.594 -9.787 0.800 20 H ASP 4 H ASP 4 7.119 -7.790 1.822 21 HA ASP 4 HA ASP 4 6.254 -10.226 3.070 22 HB2 ASP 4 1HB ASP 4 8.332 -8.642 3.632 23 HB3 ASP 4 2HB ASP 4 7.148 -7.755 4.572 24 H TRP 5 H TRP 5 4.914 -7.257 2.061 25 HA TRP 5 HA TRP 5 2.747 -7.515 4.025 26 HB2 TRP 5 1HB TRP 5 3.148 -4.794 3.072 27 HB3 TRP 5 2HB TRP 5 2.856 -5.398 4.691 28 HD1 TRP 5 HD TRP 5 5.402 -6.845 5.547 29 HE1 TRP 5 1HE TRP 5 7.812 -5.779 5.684 30 HE3 TRP 5 3HE TRP 5 4.475 -3.036 2.308 31 HZ2 TRP 5 2HZ TRP 5 9.033 -3.514 4.451 32 HZ3 TRP 5 3HZ TRP 5 6.330 -1.442 1.829 33 HH2 TRP 5 HH TRP 5 8.546 -1.634 2.841 34 H PHE 6 H PHE 6 1.348 -5.246 2.646 35 HA PHE 6 HA PHE 6 -0.106 -4.963 1.015 36 HB2 PHE 6 1HB PHE 6 1.807 -4.588 -0.436 37 HB3 PHE 6 2HB PHE 6 2.273 -6.276 -0.387 38 HD1 PHE 6 2HD PHE 6 -0.523 -4.104 -1.562 39 HD2 PHE 6 1HD PHE 6 1.747 -7.634 -2.185 40 HE1 PHE 6 2HE PHE 6 -1.735 -4.502 -3.724 41 HE2 PHE 6 1HE PHE 6 0.535 -8.032 -4.347 42 HZ PHE 6 HZ PHE 6 -1.191 -6.461 -5.090 43 H THR 7 H THR 7 -2.032 -6.006 0.894 44 HA THR 7 HA THR 7 -1.945 -8.927 0.530 45 HB THR 7 HB THR 7 -4.082 -8.908 1.785 46 HG1 THR 7 1HG THR 7 -4.634 -6.629 2.583 47 HG21 THR 7 3HG2 THR 7 -1.599 -8.094 2.915 48 HG22 THR 7 1HG2 THR 7 -2.807 -6.952 3.552 49 HG23 THR 7 2HG2 THR 7 -3.019 -8.702 3.799 50 HA PRO 8 HA PRO 8 -3.663 -7.752 -3.342 51 HB2 PRO 8 1HB PRO 8 -2.895 -9.996 -4.699 52 HB3 PRO 8 2HB PRO 8 -1.894 -8.563 -4.573 53 HG2 PRO 8 1HG PRO 8 -1.612 -11.149 -3.169 54 HG3 PRO 8 2HG PRO 8 -0.420 -9.882 -3.388 55 HD2 PRO 8 1HD PRO 8 -1.908 -10.445 -1.001 56 HD3 PRO 8 2HD PRO 8 -0.803 -9.109 -1.257 57 H ASP 9 H ASP 9 -4.567 -9.825 -1.026 58 HA ASP 9 HA ASP 9 -6.538 -11.148 -2.644 59 HB2 ASP 9 1HB ASP 9 -5.204 -11.683 -0.186 60 HB3 ASP 9 2HB ASP 9 -6.883 -11.434 0.248 61 H THR 10 H THR 10 -6.145 -8.128 -1.218 62 HA THR 10 HA THR 10 -9.023 -7.700 -1.117 63 HB THR 10 HB THR 10 -8.349 -8.319 1.216 64 HG1 THR 10 1HG THR 10 -9.723 -6.655 1.717 65 HG21 THR 10 3HG2 THR 10 -6.430 -7.515 2.157 66 HG22 THR 10 1HG2 THR 10 -6.036 -6.724 0.612 67 HG23 THR 10 2HG2 THR 10 -6.966 -5.845 1.849 68 H CYS 11 H CYS 11 -7.170 -7.033 -3.145 69 HA CYS 11 HA CYS 11 -7.568 -4.199 -3.107 70 HB2 CYS 11 1HB CYS 11 -5.180 -4.975 -2.069 71 HB3 CYS 11 2HB CYS 11 -4.763 -4.858 -3.767 72 H ALA 12 H ALA 12 -6.970 -3.298 -5.353 73 HA ALA 12 HA ALA 12 -7.498 -5.393 -7.323 74 HB1 ALA 12 3HB ALA 12 -8.417 -2.691 -6.869 75 HB2 ALA 12 1HB ALA 12 -7.644 -2.797 -8.469 76 HB3 ALA 12 2HB ALA 12 -8.991 -3.885 -8.057 77 H TYR 13 H TYR 13 -4.966 -5.689 -6.489 78 HA TYR 13 HA TYR 13 -3.458 -4.639 -8.752 79 HB2 TYR 13 1HB TYR 13 -2.565 -4.621 -5.804 80 HB3 TYR 13 2HB TYR 13 -1.643 -3.978 -7.148 81 HD1 TYR 13 1HD TYR 13 -4.834 -3.498 -5.264 82 HD2 TYR 13 2HD TYR 13 -1.862 -1.720 -7.776 83 HE1 TYR 13 1HE TYR 13 -5.883 -1.211 -4.898 84 HE2 TYR 13 2HE TYR 13 -2.921 0.561 -7.401 85 HH TYR 13 HH TYR 13 -5.670 1.169 -6.658 86 H GLY 14 H GLY 14 -1.891 -6.065 -9.522 87 HA2 GLY 14 1HA GLY 14 -1.996 -8.746 -8.365 88 HA3 GLY 14 2HA GLY 14 -1.376 -8.285 -9.937 89 H ASP 15 H ASP 15 0.317 -6.071 -9.105 90 HA ASP 15 HA ASP 15 2.412 -7.666 -7.903 91 HB2 ASP 15 1HB ASP 15 2.600 -4.911 -9.204 92 HB3 ASP 15 2HB ASP 15 3.943 -5.961 -8.799 93 H SER 16 H SER 16 3.686 -6.751 -6.095 94 HA SER 16 HA SER 16 2.064 -5.110 -4.414 95 HB2 SER 16 1HB SER 16 3.901 -5.523 -2.739 96 HB3 SER 16 2HB SER 16 3.192 -6.988 -3.387 97 HG SER 16 HG SER 16 5.649 -6.799 -3.274 98 H ASN 17 H ASN 17 5.037 -4.873 -6.379 99 HA ASN 17 HA ASN 17 6.008 -2.533 -5.260 100 HB2 ASN 17 1HB ASN 17 6.719 -4.293 -7.365 101 HB3 ASN 17 2HB ASN 17 6.474 -2.754 -8.167 102 HD21 ASN 17 1HD2 ASN 17 7.733 -0.976 -7.648 103 HD22 ASN 17 2HD2 ASN 17 9.239 -1.097 -6.800 104 H THR 18 H THR 18 3.921 -3.209 -8.164 105 HA THR 18 HA THR 18 3.562 -0.480 -8.837 106 HB THR 18 HB THR 18 3.308 -2.706 -10.235 107 HG1 THR 18 1HG THR 18 2.776 -0.380 -10.786 108 HG21 THR 18 3HG2 THR 18 1.198 -3.737 -10.273 109 HG22 THR 18 1HG2 THR 18 1.334 -3.385 -8.533 110 HG23 THR 18 2HG2 THR 18 0.381 -2.311 -9.587 111 H ALA 19 H ALA 19 1.821 -2.773 -6.717 112 HA ALA 19 HA ALA 19 -0.493 -1.259 -6.401 113 HB1 ALA 19 3HB ALA 19 0.941 -3.172 -4.515 114 HB2 ALA 19 1HB ALA 19 -0.728 -2.593 -4.301 115 HB3 ALA 19 2HB ALA 19 -0.308 -3.592 -5.712 116 H TRP 20 H TRP 20 2.450 -1.442 -4.266 117 HA TRP 20 HA TRP 20 1.701 0.560 -2.530 118 HB2 TRP 20 1HB TRP 20 3.500 -0.849 -1.961 119 HB3 TRP 20 2HB TRP 20 4.384 -0.470 -3.426 120 HD1 TRP 20 HD TRP 20 4.896 2.494 -3.472 121 HE1 TRP 20 1HE TRP 20 6.071 3.925 -1.592 122 HE3 TRP 20 3HE TRP 20 4.003 -0.781 0.314 123 HZ2 TRP 20 2HZ TRP 20 6.487 3.536 1.205 124 HZ3 TRP 20 3HZ TRP 20 4.827 -0.179 2.589 125 HH2 TRP 20 HH TRP 20 6.031 1.894 3.064 126 H THR 21 H THR 21 3.677 0.732 -5.577 127 HA THR 21 HA THR 21 4.105 3.472 -5.550 128 HB THR 21 HB THR 21 4.183 1.197 -7.487 129 HG1 THR 21 1HG THR 21 5.933 2.253 -6.135 130 HG21 THR 21 3HG2 THR 21 3.226 2.537 -9.157 131 HG22 THR 21 1HG2 THR 21 3.628 4.050 -8.311 132 HG23 THR 21 2HG2 THR 21 4.892 3.163 -9.196 133 H THR 22 H THR 22 1.413 1.616 -7.111 134 HA THR 22 HA THR 22 0.115 3.909 -8.084 135 HB THR 22 HB THR 22 -0.963 1.136 -7.348 136 HG1 THR 22 1HG THR 22 -0.035 0.618 -9.334 137 HG21 THR 22 3HG2 THR 22 -2.824 2.643 -7.903 138 HG22 THR 22 1HG2 THR 22 -1.917 3.311 -9.281 139 HG23 THR 22 2HG2 THR 22 -2.491 1.627 -9.326 140 H CYS 23 H CYS 23 0.254 2.436 -4.882 141 HA CYS 23 HA CYS 23 -2.099 3.779 -3.981 142 HB2 CYS 23 1HB CYS 23 -0.503 1.666 -3.070 143 HB3 CYS 23 2HB CYS 23 -0.290 2.932 -1.877 144 H THR 24 H THR 24 1.467 4.237 -3.961 145 HA THR 24 HA THR 24 1.251 6.631 -2.343 146 HB THR 24 HB THR 24 3.808 6.583 -2.878 147 HG1 THR 24 1HG THR 24 3.473 5.195 -4.787 148 HG21 THR 24 3HG2 THR 24 3.537 3.929 -1.778 149 HG22 THR 24 1HG2 THR 24 3.926 5.434 -0.909 150 HG23 THR 24 2HG2 THR 24 2.229 4.931 -1.103 151 H THR 25 H THR 25 -0.393 7.436 -4.070 152 HA THR 25 HA THR 25 1.156 9.184 -5.827 153 HB THR 25 HB THR 25 -0.591 8.643 -7.648 154 HG1 THR 25 1HG THR 25 -2.070 7.119 -7.007 155 HG21 THR 25 3HG2 THR 25 0.564 5.976 -7.227 156 HG22 THR 25 1HG2 THR 25 0.902 7.146 -8.525 157 HG23 THR 25 2HG2 THR 25 1.787 7.246 -6.984 158 HA PRO 26 HA PRO 26 -1.686 12.132 -4.551 159 HB2 PRO 26 1HB PRO 26 -1.825 13.840 -6.679 160 HB3 PRO 26 2HB PRO 26 -0.499 13.843 -5.534 161 HG2 PRO 26 1HG PRO 26 -0.556 12.801 -8.299 162 HG3 PRO 26 2HG PRO 26 0.831 13.200 -7.305 163 HD2 PRO 26 1HD PRO 26 -0.171 10.574 -7.881 164 HD3 PRO 26 2HD PRO 26 1.143 10.980 -6.795 165 H GLY 27 H GLY 27 -3.753 11.840 -4.043 166 HA2 GLY 27 1HA GLY 27 -5.683 11.951 -6.178 167 HA3 GLY 27 2HA GLY 27 -5.514 10.353 -5.479 168 H GLN 28 H GLN 28 -7.474 10.201 -4.365 169 HA GLN 28 HA GLN 28 -7.903 12.289 -2.374 170 HB2 GLN 28 1HB GLN 28 -9.654 11.243 -4.337 171 HB3 GLN 28 2HB GLN 28 -10.207 10.545 -2.828 172 HG2 GLN 28 1HG GLN 28 -11.351 12.544 -2.680 173 HG3 GLN 28 2HG GLN 28 -9.846 13.082 -1.960 174 HE21 GLN 28 1HE2 GLN 28 -12.118 14.066 -3.924 175 HE22 GLN 28 2HE2 GLN 28 -11.251 15.002 -5.097 176 H THR 29 H THR 29 -8.079 8.735 -3.032 177 HA THR 29 HA THR 29 -7.905 8.306 -0.122 178 HB THR 29 HB THR 29 -8.972 6.090 -0.676 179 HG1 THR 29 1HG THR 29 -9.274 5.666 -2.867 180 HG21 THR 29 3HG2 THR 29 -11.133 7.128 -1.824 181 HG22 THR 29 1HG2 THR 29 -10.712 7.616 -0.165 182 HG23 THR 29 2HG2 THR 29 -10.308 8.678 -1.535 183 H CYS 30 H CYS 30 -5.570 9.066 -1.432 184 HA CYS 30 HA CYS 30 -4.151 6.855 -2.417 185 HB2 CYS 30 1HB CYS 30 -3.276 8.879 -3.076 186 HB3 CYS 30 2HB CYS 30 -3.448 9.608 -1.491 187 H TYR 31 H TYR 31 -4.027 8.637 0.762 188 HA TYR 31 HA TYR 31 -2.427 6.621 1.975 189 HB2 TYR 31 1HB TYR 31 -2.353 8.955 2.730 190 HB3 TYR 31 2HB TYR 31 -4.101 9.053 2.811 191 HD1 TYR 31 1HD TYR 31 -5.324 7.817 4.653 192 HD2 TYR 31 2HD TYR 31 -1.067 8.239 4.606 193 HE1 TYR 31 1HE TYR 31 -5.234 7.259 7.132 194 HE2 TYR 31 2HE TYR 31 -0.991 7.679 7.084 195 HH TYR 31 HH TYR 31 -3.131 6.160 8.653 196 H THR 32 H THR 32 -5.722 6.729 1.115 197 HA THR 32 HA THR 32 -6.578 5.163 3.427 198 HB THR 32 HB THR 32 -7.934 6.575 1.091 199 HG1 THR 32 1HG THR 32 -7.288 7.604 3.196 200 HG21 THR 32 3HG2 THR 32 -8.911 4.244 2.641 201 HG22 THR 32 1HG2 THR 32 -9.941 5.684 2.830 202 HG23 THR 32 2HG2 THR 32 -9.625 5.022 1.208 203 H CYS 33 H CYS 33 -5.696 4.836 0.007 204 HA CYS 33 HA CYS 33 -6.861 2.292 -0.312 205 HB2 CYS 33 1HB CYS 33 -5.735 2.191 -2.378 206 HB3 CYS 33 2HB CYS 33 -6.229 3.857 -2.153 207 H CYS 34 H CYS 34 -3.794 3.582 0.975 208 HA CYS 34 HA CYS 34 -2.238 1.321 0.856 209 HB2 CYS 34 1HB CYS 34 -2.299 3.476 2.979 210 HB3 CYS 34 2HB CYS 34 -1.025 2.287 2.796 211 H SER 35 H SER 35 -4.831 2.333 3.129 212 HA SER 35 HA SER 35 -4.336 0.222 4.932 213 HB2 SER 35 1HB SER 35 -5.427 2.283 5.676 214 HB3 SER 35 2HB SER 35 -6.735 2.058 4.532 215 HG SER 35 HG SER 35 -6.150 0.538 6.908 216 H SER 36 H SER 36 -5.373 0.163 1.777 217 HA SER 36 HA SER 36 -7.031 -2.175 2.310 218 HB2 SER 36 1HB SER 36 -7.489 0.156 0.479 219 HB3 SER 36 2HB SER 36 -7.934 -1.422 -0.140 220 HG SER 36 HG SER 36 -9.628 -1.481 1.174 221 H CYS 37 H CYS 37 -4.049 -1.232 1.414 222 HA CYS 37 HA CYS 37 -3.836 -3.393 -0.540 223 HB2 CYS 37 1HB CYS 37 -3.331 -0.599 -1.023 224 HB3 CYS 37 2HB CYS 37 -1.835 -1.500 -1.164 225 H PHE 38 H PHE 38 -3.395 -2.806 2.500 226 HA PHE 38 HA PHE 38 -0.873 -4.169 2.627 227 HB2 PHE 38 1HB PHE 38 -1.382 -1.366 3.791 228 HB3 PHE 38 2HB PHE 38 -0.008 -2.353 4.249 229 HD1 PHE 38 1HD PHE 38 1.191 -3.361 1.943 230 HD2 PHE 38 2HD PHE 38 -0.831 0.346 2.367 231 HE1 PHE 38 1HE PHE 38 2.505 -2.424 0.021 232 HE2 PHE 38 2HE PHE 38 0.483 1.283 0.445 233 HZ PHE 38 HZ PHE 38 2.136 -0.113 -0.705 234 H ASP 39 H ASP 39 -0.296 -4.530 5.088 235 HA ASP 39 HA ASP 39 -2.838 -5.110 6.376 236 HB2 ASP 39 1HB ASP 39 -1.191 -6.620 7.811 237 HB3 ASP 39 2HB ASP 39 -1.743 -7.162 6.238 238 H VAL 40 H VAL 40 0.152 -5.400 8.201 239 HA VAL 40 HA VAL 40 -0.647 -3.117 9.826 240 HB VAL 40 HB VAL 40 -0.305 -5.376 10.810 241 HG11 VAL 40 1HG1 VAL 40 2.640 -4.898 10.253 242 HG12 VAL 40 2HG1 VAL 40 1.907 -6.301 11.067 243 HG13 VAL 40 3HG1 VAL 40 1.610 -6.022 9.335 244 HG21 VAL 40 3HG2 VAL 40 0.536 -2.855 11.763 245 HG22 VAL 40 1HG2 VAL 40 0.096 -4.291 12.717 246 HG23 VAL 40 2HG2 VAL 40 1.793 -4.015 12.255 247 H VAL 41 H VAL 41 2.309 -4.533 8.258 248 HA VAL 41 HA VAL 41 3.826 -2.179 8.719 249 HB VAL 41 HB VAL 41 4.258 -4.514 6.844 250 HG11 VAL 41 1HG1 VAL 41 6.558 -3.863 6.724 251 HG12 VAL 41 2HG1 VAL 41 5.580 -2.427 6.336 252 HG13 VAL 41 3HG1 VAL 41 6.326 -2.588 7.944 253 HG21 VAL 41 3HG2 VAL 41 4.221 -5.527 8.921 254 HG22 VAL 41 1HG2 VAL 41 5.938 -5.077 8.790 255 HG23 VAL 41 2HG2 VAL 41 4.829 -4.080 9.761 256 H GLY 42 H GLY 42 2.883 -3.693 5.553 257 HA2 GLY 42 1HA GLY 42 3.351 -1.770 3.808 258 HA3 GLY 42 2HA GLY 42 1.870 -2.705 3.757 259 H GLU 43 H GLU 43 0.778 -1.640 6.311 260 HA GLU 43 HA GLU 43 -0.402 0.674 5.195 261 HB2 GLU 43 1HB GLU 43 -1.366 -1.184 6.838 262 HB3 GLU 43 2HB GLU 43 -0.748 -0.123 8.088 263 HG2 GLU 43 1HG GLU 43 -2.263 1.294 5.960 264 HG3 GLU 43 2HG GLU 43 -3.224 0.134 6.856 265 H GLN 44 H GLN 44 1.486 0.078 8.254 266 HA GLN 44 HA GLN 44 1.776 2.807 8.768 267 HB2 GLN 44 1HB GLN 44 3.191 2.130 10.584 268 HB3 GLN 44 2HB GLN 44 1.955 0.896 10.438 269 HG2 GLN 44 1HG GLN 44 3.606 -0.647 10.257 270 HG3 GLN 44 2HG GLN 44 4.005 0.034 8.692 271 HE21 GLN 44 1HE2 GLN 44 4.653 0.147 12.142 272 HE22 GLN 44 2HE2 GLN 44 6.233 0.852 12.068 273 H ALA 45 H ALA 45 3.274 0.710 6.480 274 HA ALA 45 HA ALA 45 5.771 2.164 6.413 275 HB1 ALA 45 3HB ALA 45 6.267 0.587 4.552 276 HB2 ALA 45 1HB ALA 45 5.746 -0.256 6.030 277 HB3 ALA 45 2HB ALA 45 4.610 -0.052 4.675 278 H CYS 46 H CYS 46 2.827 1.688 4.351 279 HA CYS 46 HA CYS 46 3.688 3.476 2.369 280 HB2 CYS 46 1HB CYS 46 2.024 1.767 1.934 281 HB3 CYS 46 2HB CYS 46 0.923 2.488 3.090 282 H GLN 47 H GLN 47 2.206 3.793 5.557 283 HA GLN 47 HA GLN 47 0.955 6.227 5.232 284 HB2 GLN 47 1HB GLN 47 1.956 4.584 7.504 285 HB3 GLN 47 2HB GLN 47 1.783 6.292 7.857 286 HG2 GLN 47 1HG GLN 47 -0.573 5.806 6.500 287 HG3 GLN 47 2HG GLN 47 -0.316 4.255 7.273 288 HE21 GLN 47 1HE2 GLN 47 -1.611 4.181 8.951 289 HE22 GLN 47 2HE2 GLN 47 -1.763 5.367 10.204 290 H MET 48 H MET 48 4.331 5.433 6.292 291 HA MET 48 HA MET 48 5.071 8.086 6.682 292 HB2 MET 48 1HB MET 48 6.553 5.472 6.150 293 HB3 MET 48 2HB MET 48 7.453 6.969 6.292 294 HG2 MET 48 1HG MET 48 5.618 6.940 8.488 295 HG3 MET 48 2HG MET 48 6.300 5.328 8.406 296 HE1 MET 48 3HE MET 48 8.461 4.743 8.137 297 HE2 MET 48 1HE MET 48 9.935 5.734 8.261 298 HE3 MET 48 2HE MET 48 9.158 5.107 9.734 299 H SER 49 H SER 49 5.414 5.853 3.854 300 HA SER 49 HA SER 49 6.800 7.766 2.326 301 HB2 SER 49 1HB SER 49 7.115 5.443 1.795 302 HB3 SER 49 2HB SER 49 5.391 5.156 1.663 303 HG SER 49 HG SER 49 5.385 6.604 -0.222 304 H ALA 50 H ALA 50 3.490 7.332 3.229 305 HA ALA 50 HA ALA 50 2.016 8.013 1.066 306 HB1 ALA 50 3HB ALA 50 0.371 8.751 2.617 307 HB2 ALA 50 1HB ALA 50 1.324 7.531 3.495 308 HB3 ALA 50 2HB ALA 50 1.600 9.263 3.799 309 H GLN 51 H GLN 51 2.920 9.403 -0.458 310 HA GLN 51 HA GLN 51 3.490 12.082 0.544 311 HB2 GLN 51 1HB GLN 51 5.242 10.508 -0.770 312 HB3 GLN 51 2HB GLN 51 4.438 11.195 -2.168 313 HG2 GLN 51 1HG GLN 51 4.803 13.508 -0.960 314 HG3 GLN 51 2HG GLN 51 5.971 12.642 0.019 315 HE21 GLN 51 1HE2 GLN 51 6.014 14.740 -2.220 316 HE22 GLN 51 2HE2 GLN 51 7.248 14.198 -3.309 317 H CYS 52 H CYS 52 0.862 11.750 0.343 318 HA CYS 52 HA CYS 52 0.197 12.829 -2.300 319 HB2 CYS 52 1HB CYS 52 -2.181 11.877 -1.315 320 HB3 CYS 52 2HB CYS 52 -1.175 11.105 -2.525 Start of MODEL 5 1 H1 ASN 1 1H ASN 1 11.733 -3.866 1.562 2 HA ASN 1 HA ASN 1 10.111 -3.425 0.075 3 HB2 ASN 1 1HB ASN 1 10.948 -6.332 -0.112 4 HB3 ASN 1 2HB ASN 1 9.727 -5.753 -1.228 5 HD21 ASN 1 1HD2 ASN 1 12.981 -6.100 -0.648 6 HD22 ASN 1 2HD2 ASN 1 13.636 -5.013 -1.826 7 HA PRO 2 HA PRO 2 6.061 -4.666 1.210 8 HB2 PRO 2 1HB PRO 2 4.645 -4.452 -1.118 9 HB3 PRO 2 2HB PRO 2 5.073 -3.072 -0.126 10 HG2 PRO 2 1HG PRO 2 6.252 -3.947 -2.692 11 HG3 PRO 2 2HG PRO 2 6.358 -2.381 -1.912 12 HD2 PRO 2 1HD PRO 2 8.396 -4.397 -1.998 13 HD3 PRO 2 2HD PRO 2 8.458 -2.881 -1.121 14 H GLU 3 H GLU 3 7.986 -6.640 -0.481 15 HA GLU 3 HA GLU 3 6.151 -8.544 -1.358 16 HB2 GLU 3 1HB GLU 3 8.071 -9.978 -1.669 17 HB3 GLU 3 2HB GLU 3 8.566 -8.346 -2.069 18 HG2 GLU 3 1HG GLU 3 9.585 -8.073 0.178 19 HG3 GLU 3 2HG GLU 3 9.028 -9.667 0.647 20 H ASP 4 H ASP 4 6.974 -7.530 1.791 21 HA ASP 4 HA ASP 4 6.374 -10.154 2.884 22 HB2 ASP 4 1HB ASP 4 8.392 -8.542 3.586 23 HB3 ASP 4 2HB ASP 4 7.160 -7.759 4.556 24 H TRP 5 H TRP 5 4.978 -7.164 2.018 25 HA TRP 5 HA TRP 5 2.788 -7.578 3.931 26 HB2 TRP 5 1HB TRP 5 3.155 -4.813 3.058 27 HB3 TRP 5 2HB TRP 5 2.783 -5.465 4.641 28 HD1 TRP 5 HD TRP 5 5.279 -6.866 5.643 29 HE1 TRP 5 1HE TRP 5 7.669 -5.785 5.925 30 HE3 TRP 5 3HE TRP 5 4.524 -3.064 2.353 31 HZ2 TRP 5 2HZ TRP 5 8.947 -3.511 4.767 32 HZ3 TRP 5 3HZ TRP 5 6.394 -1.457 1.986 33 HH2 TRP 5 HH TRP 5 8.546 -1.635 3.130 34 H PHE 6 H PHE 6 1.361 -5.281 2.592 35 HA PHE 6 HA PHE 6 -0.085 -4.990 0.955 36 HB2 PHE 6 1HB PHE 6 1.848 -4.544 -0.455 37 HB3 PHE 6 2HB PHE 6 2.329 -6.229 -0.458 38 HD1 PHE 6 2HD PHE 6 -0.443 -4.019 -1.609 39 HD2 PHE 6 1HD PHE 6 1.801 -7.556 -2.285 40 HE1 PHE 6 2HE PHE 6 -1.631 -4.354 -3.794 41 HE2 PHE 6 1HE PHE 6 0.614 -7.892 -4.470 42 HZ PHE 6 HZ PHE 6 -1.088 -6.287 -5.199 43 H THR 7 H THR 7 -1.988 -6.065 0.772 44 HA THR 7 HA THR 7 -1.838 -8.976 0.349 45 HB THR 7 HB THR 7 -4.039 -8.990 1.532 46 HG1 THR 7 1HG THR 7 -4.492 -6.714 2.469 47 HG21 THR 7 3HG2 THR 7 -1.706 -8.722 2.832 48 HG22 THR 7 1HG2 THR 7 -2.359 -7.108 3.205 49 HG23 THR 7 2HG2 THR 7 -3.247 -8.566 3.709 50 HA PRO 8 HA PRO 8 -3.503 -7.766 -3.533 51 HB2 PRO 8 1HB PRO 8 -2.691 -9.985 -4.906 52 HB3 PRO 8 2HB PRO 8 -1.705 -8.546 -4.742 53 HG2 PRO 8 1HG PRO 8 -1.428 -11.149 -3.369 54 HG3 PRO 8 2HG PRO 8 -0.243 -9.870 -3.548 55 HD2 PRO 8 1HD PRO 8 -1.770 -10.478 -1.197 56 HD3 PRO 8 2HD PRO 8 -0.672 -9.130 -1.414 57 H ASP 9 H ASP 9 -4.442 -9.865 -1.261 58 HA ASP 9 HA ASP 9 -6.393 -11.148 -2.948 59 HB2 ASP 9 1HB ASP 9 -5.063 -11.771 -0.488 60 HB3 ASP 9 2HB ASP 9 -6.764 -11.612 -0.097 61 H THR 10 H THR 10 -6.003 -8.202 -1.380 62 HA THR 10 HA THR 10 -8.885 -7.802 -1.220 63 HB THR 10 HB THR 10 -8.108 -8.505 1.077 64 HG1 THR 10 1HG THR 10 -9.779 -7.010 1.208 65 HG21 THR 10 3HG2 THR 10 -6.872 -6.054 1.881 66 HG22 THR 10 1HG2 THR 10 -6.142 -7.677 1.895 67 HG23 THR 10 2HG2 THR 10 -5.958 -6.630 0.467 68 H CYS 11 H CYS 11 -7.069 -7.048 -3.258 69 HA CYS 11 HA CYS 11 -7.415 -4.193 -3.027 70 HB2 CYS 11 1HB CYS 11 -5.023 -4.998 -2.234 71 HB3 CYS 11 2HB CYS 11 -4.719 -5.089 -3.957 72 H ALA 12 H ALA 12 -7.040 -3.171 -5.267 73 HA ALA 12 HA ALA 12 -8.305 -4.792 -7.217 74 HB1 ALA 12 3HB ALA 12 -8.856 -2.528 -7.343 75 HB2 ALA 12 1HB ALA 12 -7.179 -1.998 -7.063 76 HB3 ALA 12 2HB ALA 12 -7.647 -2.677 -8.641 77 H TYR 13 H TYR 13 -4.948 -3.580 -6.675 78 HA TYR 13 HA TYR 13 -4.029 -4.930 -9.059 79 HB2 TYR 13 1HB TYR 13 -2.747 -3.401 -6.711 80 HB3 TYR 13 2HB TYR 13 -1.817 -3.981 -8.078 81 HD1 TYR 13 1HD TYR 13 -3.076 -3.266 -10.458 82 HD2 TYR 13 2HD TYR 13 -3.187 -1.132 -6.751 83 HE1 TYR 13 1HE TYR 13 -3.579 -1.109 -11.706 84 HE2 TYR 13 2HE TYR 13 -3.689 1.017 -8.012 85 HH TYR 13 HH TYR 13 -4.725 1.629 -10.182 86 H GLY 14 H GLY 14 -2.320 -6.566 -9.034 87 HA2 GLY 14 1HA GLY 14 -2.575 -8.325 -6.682 88 HA3 GLY 14 2HA GLY 14 -2.186 -8.823 -8.317 89 H ASP 15 H ASP 15 -0.466 -6.060 -8.190 90 HA ASP 15 HA ASP 15 1.879 -7.496 -7.283 91 HB2 ASP 15 1HB ASP 15 1.996 -4.771 -8.574 92 HB3 ASP 15 2HB ASP 15 3.137 -6.096 -8.698 93 H SER 16 H SER 16 3.197 -6.643 -5.573 94 HA SER 16 HA SER 16 1.861 -4.751 -3.907 95 HB2 SER 16 1HB SER 16 3.173 -5.587 -2.216 96 HB3 SER 16 2HB SER 16 3.356 -6.921 -3.337 97 HG SER 16 HG SER 16 5.346 -5.930 -4.104 98 H ASN 17 H ASN 17 4.723 -4.920 -6.052 99 HA ASN 17 HA ASN 17 5.938 -2.590 -5.185 100 HB2 ASN 17 1HB ASN 17 5.986 -4.246 -7.717 101 HB3 ASN 17 2HB ASN 17 6.729 -2.660 -7.773 102 HD21 ASN 17 1HD2 ASN 17 8.772 -2.549 -7.268 103 HD22 ASN 17 2HD2 ASN 17 9.670 -3.637 -6.263 104 H THR 18 H THR 18 3.736 -3.284 -8.010 105 HA THR 18 HA THR 18 3.512 -0.570 -8.785 106 HB THR 18 HB THR 18 3.054 -2.947 -9.989 107 HG1 THR 18 1HG THR 18 2.971 -0.584 -10.727 108 HG21 THR 18 3HG2 THR 18 0.905 -3.107 -8.388 109 HG22 THR 18 1HG2 THR 18 0.221 -1.964 -9.569 110 HG23 THR 18 2HG2 THR 18 0.785 -3.566 -10.103 111 H ALA 19 H ALA 19 1.705 -2.663 -6.526 112 HA ALA 19 HA ALA 19 -0.522 -1.000 -6.253 113 HB1 ALA 19 3HB ALA 19 -0.614 -2.219 -3.960 114 HB2 ALA 19 1HB ALA 19 -0.706 -3.205 -5.439 115 HB3 ALA 19 2HB ALA 19 0.823 -3.098 -4.534 116 H TRP 20 H TRP 20 2.451 -1.302 -4.176 117 HA TRP 20 HA TRP 20 1.855 0.784 -2.474 118 HB2 TRP 20 1HB TRP 20 3.584 -0.748 -1.938 119 HB3 TRP 20 2HB TRP 20 4.474 -0.385 -3.404 120 HD1 TRP 20 HD TRP 20 5.117 2.548 -3.419 121 HE1 TRP 20 1HE TRP 20 6.353 3.911 -1.527 122 HE3 TRP 20 3HE TRP 20 4.081 -0.717 0.339 123 HZ2 TRP 20 2HZ TRP 20 6.750 3.480 1.266 124 HZ3 TRP 20 3HZ TRP 20 4.930 -0.171 2.619 125 HH2 TRP 20 HH TRP 20 6.222 1.844 3.111 126 H THR 21 H THR 21 3.794 0.763 -5.551 127 HA THR 21 HA THR 21 4.360 3.480 -5.604 128 HB THR 21 HB THR 21 4.320 1.147 -7.471 129 HG1 THR 21 1HG THR 21 6.161 2.066 -6.224 130 HG21 THR 21 3HG2 THR 21 5.083 2.971 -9.274 131 HG22 THR 21 1HG2 THR 21 3.369 2.510 -9.146 132 HG23 THR 21 2HG2 THR 21 3.945 4.012 -8.385 133 H THR 22 H THR 22 1.502 1.694 -6.897 134 HA THR 22 HA THR 22 0.329 4.064 -7.957 135 HB THR 22 HB THR 22 -0.830 1.305 -7.291 136 HG1 THR 22 1HG THR 22 0.960 1.255 -8.794 137 HG21 THR 22 3HG2 THR 22 -1.763 3.635 -9.030 138 HG22 THR 22 1HG2 THR 22 -2.271 1.961 -9.359 139 HG23 THR 22 2HG2 THR 22 -2.700 2.733 -7.814 140 H CYS 23 H CYS 23 0.636 2.750 -4.765 141 HA CYS 23 HA CYS 23 -1.760 4.056 -3.838 142 HB2 CYS 23 1HB CYS 23 -0.040 1.969 -2.897 143 HB3 CYS 23 2HB CYS 23 -0.113 3.224 -1.675 144 H THR 24 H THR 24 1.797 4.459 -3.946 145 HA THR 24 HA THR 24 1.696 6.812 -2.256 146 HB THR 24 HB THR 24 4.234 6.728 -2.990 147 HG1 THR 24 1HG THR 24 4.559 5.070 -4.418 148 HG21 THR 24 3HG2 THR 24 3.278 5.804 -0.774 149 HG22 THR 24 1HG2 THR 24 3.144 4.233 -1.601 150 HG23 THR 24 2HG2 THR 24 4.741 4.987 -1.377 151 H THR 25 H THR 25 -0.052 7.517 -4.041 152 HA THR 25 HA THR 25 1.428 9.411 -5.705 153 HB THR 25 HB THR 25 -0.284 8.817 -7.564 154 HG1 THR 25 1HG THR 25 -1.658 7.557 -6.108 155 HG21 THR 25 3HG2 THR 25 2.199 7.550 -6.881 156 HG22 THR 25 1HG2 THR 25 1.069 6.252 -7.336 157 HG23 THR 25 2HG2 THR 25 1.406 7.579 -8.474 158 HA PRO 26 HA PRO 26 -1.607 12.148 -4.405 159 HB2 PRO 26 1HB PRO 26 -1.794 13.915 -6.482 160 HB3 PRO 26 2HB PRO 26 -0.498 13.955 -5.303 161 HG2 PRO 26 1HG PRO 26 -0.428 13.003 -8.101 162 HG3 PRO 26 2HG PRO 26 0.909 13.447 -7.059 163 HD2 PRO 26 1HD PRO 26 0.075 10.789 -7.743 164 HD3 PRO 26 2HD PRO 26 1.337 11.233 -6.611 165 H GLY 27 H GLY 27 -3.698 11.874 -3.981 166 HA2 GLY 27 1HA GLY 27 -5.568 11.909 -6.144 167 HA3 GLY 27 2HA GLY 27 -5.329 10.290 -5.518 168 H GLN 28 H GLN 28 -7.521 10.231 -4.702 169 HA GLN 28 HA GLN 28 -8.019 12.103 -2.537 170 HB2 GLN 28 1HB GLN 28 -9.797 10.390 -4.287 171 HB3 GLN 28 2HB GLN 28 -10.391 10.947 -2.735 172 HG2 GLN 28 1HG GLN 28 -9.859 13.312 -3.392 173 HG3 GLN 28 2HG GLN 28 -9.296 12.744 -4.952 174 HE21 GLN 28 1HE2 GLN 28 -12.086 12.709 -2.766 175 HE22 GLN 28 2HE2 GLN 28 -13.324 12.707 -3.977 176 H THR 29 H THR 29 -7.897 8.596 -3.368 177 HA THR 29 HA THR 29 -7.915 8.022 -0.477 178 HB THR 29 HB THR 29 -8.977 5.923 -1.048 179 HG1 THR 29 1HG THR 29 -8.544 6.776 -3.818 180 HG21 THR 29 3HG2 THR 29 -10.930 6.551 -2.454 181 HG22 THR 29 1HG2 THR 29 -10.570 7.855 -1.298 182 HG23 THR 29 2HG2 THR 29 -10.076 8.014 -3.001 183 H CYS 30 H CYS 30 -5.552 9.002 -1.506 184 HA CYS 30 HA CYS 30 -3.914 6.954 -2.522 185 HB2 CYS 30 1HB CYS 30 -3.154 9.083 -2.990 186 HB3 CYS 30 2HB CYS 30 -3.462 9.679 -1.372 187 H TYR 31 H TYR 31 -4.027 8.585 0.741 188 HA TYR 31 HA TYR 31 -2.472 6.516 1.936 189 HB2 TYR 31 1HB TYR 31 -2.406 8.824 2.773 190 HB3 TYR 31 2HB TYR 31 -4.154 8.932 2.800 191 HD1 TYR 31 1HD TYR 31 -5.429 7.512 4.521 192 HD2 TYR 31 2HD TYR 31 -1.204 8.159 4.696 193 HE1 TYR 31 1HE TYR 31 -5.425 6.864 6.980 194 HE2 TYR 31 2HE TYR 31 -1.213 7.509 7.154 195 HH TYR 31 HH TYR 31 -2.593 7.303 8.954 196 H THR 32 H THR 32 -5.701 6.635 0.916 197 HA THR 32 HA THR 32 -6.722 5.089 3.164 198 HB THR 32 HB THR 32 -7.900 6.360 0.650 199 HG1 THR 32 1HG THR 32 -9.082 7.382 2.553 200 HG21 THR 32 3HG2 THR 32 -9.779 5.321 2.686 201 HG22 THR 32 1HG2 THR 32 -9.878 5.224 0.912 202 HG23 THR 32 2HG2 THR 32 -8.927 4.022 1.817 203 H CYS 33 H CYS 33 -5.618 4.688 -0.199 204 HA CYS 33 HA CYS 33 -6.673 2.091 -0.477 205 HB2 CYS 33 1HB CYS 33 -5.408 1.952 -2.479 206 HB3 CYS 33 2HB CYS 33 -6.056 3.576 -2.360 207 H CYS 34 H CYS 34 -3.793 3.543 0.998 208 HA CYS 34 HA CYS 34 -2.102 1.363 0.987 209 HB2 CYS 34 1HB CYS 34 -2.398 3.555 3.050 210 HB3 CYS 34 2HB CYS 34 -1.062 2.423 2.983 211 H SER 35 H SER 35 -4.838 2.309 3.128 212 HA SER 35 HA SER 35 -4.351 0.167 4.922 213 HB2 SER 35 1HB SER 35 -5.410 2.238 5.704 214 HB3 SER 35 2HB SER 35 -6.727 2.045 4.564 215 HG SER 35 HG SER 35 -6.592 -0.245 5.996 216 H SER 36 H SER 36 -5.330 0.170 1.766 217 HA SER 36 HA SER 36 -7.032 -2.149 2.231 218 HB2 SER 36 1HB SER 36 -7.381 0.037 0.137 219 HB3 SER 36 2HB SER 36 -8.226 -1.496 0.069 220 HG SER 36 HG SER 36 -9.673 -0.602 1.359 221 H CYS 37 H CYS 37 -4.035 -1.431 1.533 222 HA CYS 37 HA CYS 37 -3.850 -3.462 -0.531 223 HB2 CYS 37 1HB CYS 37 -3.522 -0.733 -1.131 224 HB3 CYS 37 2HB CYS 37 -1.900 -1.391 -1.047 225 H PHE 38 H PHE 38 -3.382 -2.918 2.501 226 HA PHE 38 HA PHE 38 -0.850 -4.261 2.591 227 HB2 PHE 38 1HB PHE 38 -1.358 -1.468 3.781 228 HB3 PHE 38 2HB PHE 38 0.024 -2.453 4.220 229 HD1 PHE 38 1HD PHE 38 1.121 -3.474 1.822 230 HD2 PHE 38 2HD PHE 38 -0.743 0.289 2.437 231 HE1 PHE 38 1HE PHE 38 2.414 -2.519 -0.106 232 HE2 PHE 38 2HE PHE 38 0.550 1.244 0.509 233 HZ PHE 38 HZ PHE 38 2.113 -0.171 -0.739 234 H ASP 39 H ASP 39 -0.236 -4.569 5.076 235 HA ASP 39 HA ASP 39 -2.764 -5.193 6.378 236 HB2 ASP 39 1HB ASP 39 -1.430 -7.180 5.960 237 HB3 ASP 39 2HB ASP 39 0.020 -6.413 6.576 238 H VAL 40 H VAL 40 0.262 -5.474 8.150 239 HA VAL 40 HA VAL 40 -0.527 -3.209 9.805 240 HB VAL 40 HB VAL 40 -0.135 -5.499 10.740 241 HG11 VAL 40 1HG1 VAL 40 2.122 -6.327 11.015 242 HG12 VAL 40 2HG1 VAL 40 1.808 -6.065 9.283 243 HG13 VAL 40 3HG1 VAL 40 2.790 -4.895 10.196 244 HG21 VAL 40 3HG2 VAL 40 -0.020 -4.151 12.533 245 HG22 VAL 40 1HG2 VAL 40 1.742 -4.378 12.424 246 HG23 VAL 40 2HG2 VAL 40 0.980 -2.950 11.682 247 H VAL 41 H VAL 41 2.403 -4.592 8.162 248 HA VAL 41 HA VAL 41 3.913 -2.228 8.616 249 HB VAL 41 HB VAL 41 4.339 -4.546 6.719 250 HG11 VAL 41 1HG1 VAL 41 6.765 -3.856 6.941 251 HG12 VAL 41 2HG1 VAL 41 5.732 -2.743 6.012 252 HG13 VAL 41 3HG1 VAL 41 6.187 -2.346 7.687 253 HG21 VAL 41 3HG2 VAL 41 4.275 -5.536 8.831 254 HG22 VAL 41 1HG2 VAL 41 6.007 -5.190 8.606 255 HG23 VAL 41 2HG2 VAL 41 5.012 -4.125 9.628 256 H GLY 42 H GLY 42 2.956 -3.739 5.454 257 HA2 GLY 42 1HA GLY 42 3.373 -1.803 3.714 258 HA3 GLY 42 2HA GLY 42 1.904 -2.757 3.677 259 H GLU 43 H GLU 43 0.813 -1.725 6.236 260 HA GLU 43 HA GLU 43 -0.398 0.586 5.148 261 HB2 GLU 43 1HB GLU 43 -1.449 -1.229 6.673 262 HB3 GLU 43 2HB GLU 43 -0.671 -0.405 8.010 263 HG2 GLU 43 1HG GLU 43 -1.814 1.762 6.947 264 HG3 GLU 43 2HG GLU 43 -2.879 0.590 6.197 265 H GLN 44 H GLN 44 1.478 -0.001 8.218 266 HA GLN 44 HA GLN 44 1.756 2.730 8.724 267 HB2 GLN 44 1HB GLN 44 3.043 2.073 10.595 268 HB3 GLN 44 2HB GLN 44 1.958 0.720 10.347 269 HG2 GLN 44 1HG GLN 44 3.892 -0.252 8.837 270 HG3 GLN 44 2HG GLN 44 4.907 0.919 9.656 271 HE21 GLN 44 1HE2 GLN 44 5.748 0.426 11.546 272 HE22 GLN 44 2HE2 GLN 44 5.301 -0.900 12.567 273 H ALA 45 H ALA 45 3.266 0.646 6.441 274 HA ALA 45 HA ALA 45 5.766 2.099 6.396 275 HB1 ALA 45 3HB ALA 45 6.319 0.515 4.592 276 HB2 ALA 45 1HB ALA 45 5.683 -0.345 6.015 277 HB3 ALA 45 2HB ALA 45 4.643 -0.085 4.594 278 H CYS 46 H CYS 46 2.774 1.695 4.407 279 HA CYS 46 HA CYS 46 3.668 3.470 2.402 280 HB2 CYS 46 1HB CYS 46 2.024 1.756 1.932 281 HB3 CYS 46 2HB CYS 46 0.908 2.447 3.093 282 H GLN 47 H GLN 47 2.088 3.736 5.561 283 HA GLN 47 HA GLN 47 0.819 6.141 5.277 284 HB2 GLN 47 1HB GLN 47 1.987 4.589 7.557 285 HB3 GLN 47 2HB GLN 47 1.624 6.274 7.872 286 HG2 GLN 47 1HG GLN 47 -0.690 5.651 6.653 287 HG3 GLN 47 2HG GLN 47 -0.259 4.027 7.152 288 HE21 GLN 47 1HE2 GLN 47 0.096 7.275 8.579 289 HE22 GLN 47 2HE2 GLN 47 -0.652 6.928 10.102 290 H MET 48 H MET 48 4.264 5.421 6.097 291 HA MET 48 HA MET 48 4.914 8.129 6.490 292 HB2 MET 48 1HB MET 48 6.285 5.476 6.350 293 HB3 MET 48 2HB MET 48 7.299 6.817 5.853 294 HG2 MET 48 1HG MET 48 6.313 7.950 8.085 295 HG3 MET 48 2HG MET 48 6.049 6.281 8.550 296 HE1 MET 48 3HE MET 48 8.397 5.127 10.042 297 HE2 MET 48 1HE MET 48 8.998 6.702 10.613 298 HE3 MET 48 2HE MET 48 7.251 6.444 10.390 299 H SER 49 H SER 49 5.190 5.828 3.723 300 HA SER 49 HA SER 49 6.491 7.788 2.123 301 HB2 SER 49 1HB SER 49 5.508 4.964 1.732 302 HB3 SER 49 2HB SER 49 5.836 5.931 0.308 303 HG SER 49 HG SER 49 7.707 5.433 2.465 304 H ALA 50 H ALA 50 3.427 7.664 3.289 305 HA ALA 50 HA ALA 50 1.804 7.869 1.013 306 HB1 ALA 50 3HB ALA 50 0.142 8.696 2.571 307 HB2 ALA 50 1HB ALA 50 1.078 7.417 3.381 308 HB3 ALA 50 2HB ALA 50 1.400 9.127 3.755 309 H GLN 51 H GLN 51 3.068 9.200 -0.469 310 HA GLN 51 HA GLN 51 3.413 11.940 0.356 311 HB2 GLN 51 1HB GLN 51 4.811 10.185 -1.372 312 HB3 GLN 51 2HB GLN 51 4.091 11.380 -2.432 313 HG2 GLN 51 1HG GLN 51 6.297 12.170 -1.703 314 HG3 GLN 51 2HG GLN 51 5.059 13.212 -1.030 315 HE21 GLN 51 1HE2 GLN 51 7.043 10.358 -0.345 316 HE22 GLN 51 2HE2 GLN 51 7.207 10.598 1.362 317 H CYS 52 H CYS 52 0.774 11.569 0.436 318 HA CYS 52 HA CYS 52 -0.324 12.162 -2.182 319 HB2 CYS 52 1HB CYS 52 -2.133 12.124 0.140 320 HB3 CYS 52 2HB CYS 52 -2.296 11.382 -1.439 Start of MODEL 6 1 H1 ASN 1 1H ASN 1 11.202 -5.415 1.476 2 HA ASN 1 HA ASN 1 9.894 -3.929 -0.620 3 HB2 ASN 1 1HB ASN 1 10.946 -6.691 -0.244 4 HB3 ASN 1 2HB ASN 1 9.426 -6.640 -1.114 5 HD21 ASN 1 1HD2 ASN 1 12.733 -6.413 -1.341 6 HD22 ASN 1 2HD2 ASN 1 12.900 -5.688 -2.905 7 HA PRO 2 HA PRO 2 5.948 -4.736 1.117 8 HB2 PRO 2 1HB PRO 2 4.330 -4.592 -1.081 9 HB3 PRO 2 2HB PRO 2 4.933 -3.178 -0.241 10 HG2 PRO 2 1HG PRO 2 5.805 -4.307 -2.829 11 HG3 PRO 2 2HG PRO 2 6.079 -2.701 -2.184 12 HD2 PRO 2 1HD PRO 2 7.976 -4.849 -2.302 13 HD3 PRO 2 2HD PRO 2 8.212 -3.283 -1.553 14 H GLU 3 H GLU 3 7.583 -6.949 -0.577 15 HA GLU 3 HA GLU 3 5.655 -8.786 -1.251 16 HB2 GLU 3 1HB GLU 3 7.454 -10.387 -1.360 17 HB3 GLU 3 2HB GLU 3 8.115 -8.840 -1.851 18 HG2 GLU 3 1HG GLU 3 8.962 -8.492 0.503 19 HG3 GLU 3 2HG GLU 3 8.365 -10.084 0.929 20 H ASP 4 H ASP 4 7.164 -7.998 1.890 21 HA ASP 4 HA ASP 4 6.099 -10.306 3.150 22 HB2 ASP 4 1HB ASP 4 8.150 -8.666 3.758 23 HB3 ASP 4 2HB ASP 4 6.914 -7.838 4.683 24 H TRP 5 H TRP 5 4.962 -7.170 2.183 25 HA TRP 5 HA TRP 5 2.674 -7.415 4.017 26 HB2 TRP 5 1HB TRP 5 3.140 -4.737 2.978 27 HB3 TRP 5 2HB TRP 5 2.798 -5.277 4.609 28 HD1 TRP 5 HD TRP 5 5.307 -6.744 5.564 29 HE1 TRP 5 1HE TRP 5 7.726 -5.702 5.732 30 HE3 TRP 5 3HE TRP 5 4.501 -3.006 2.212 31 HZ2 TRP 5 2HZ TRP 5 9.002 -3.482 4.474 32 HZ3 TRP 5 3HZ TRP 5 6.386 -1.444 1.739 33 HH2 TRP 5 HH TRP 5 8.576 -1.637 2.808 34 H PHE 6 H PHE 6 1.325 -5.195 2.535 35 HA PHE 6 HA PHE 6 -0.091 -4.960 0.863 36 HB2 PHE 6 1HB PHE 6 1.870 -4.615 -0.537 37 HB3 PHE 6 2HB PHE 6 2.322 -6.306 -0.451 38 HD1 PHE 6 2HD PHE 6 -0.666 -4.344 -1.561 39 HD2 PHE 6 1HD PHE 6 2.069 -7.476 -2.408 40 HE1 PHE 6 2HE PHE 6 -1.826 -4.766 -3.746 41 HE2 PHE 6 1HE PHE 6 0.908 -7.898 -4.594 42 HZ PHE 6 HZ PHE 6 -1.025 -6.538 -5.236 43 H THR 7 H THR 7 -2.009 -6.015 0.729 44 HA THR 7 HA THR 7 -1.899 -8.938 0.372 45 HB THR 7 HB THR 7 -4.112 -8.871 1.597 46 HG1 THR 7 1HG THR 7 -4.265 -6.483 0.840 47 HG21 THR 7 3HG2 THR 7 -3.186 -8.668 3.737 48 HG22 THR 7 1HG2 THR 7 -1.684 -8.799 2.791 49 HG23 THR 7 2HG2 THR 7 -2.273 -7.201 3.309 50 HA PRO 8 HA PRO 8 -3.697 -7.656 -3.447 51 HB2 PRO 8 1HB PRO 8 -2.780 -9.761 -4.928 52 HB3 PRO 8 2HB PRO 8 -1.889 -8.264 -4.738 53 HG2 PRO 8 1HG PRO 8 -1.391 -10.890 -3.475 54 HG3 PRO 8 2HG PRO 8 -0.302 -9.526 -3.639 55 HD2 PRO 8 1HD PRO 8 -1.709 -10.324 -1.270 56 HD3 PRO 8 2HD PRO 8 -0.712 -8.896 -1.467 57 H ASP 9 H ASP 9 -4.206 -10.207 -1.369 58 HA ASP 9 HA ASP 9 -6.140 -11.502 -2.986 59 HB2 ASP 9 1HB ASP 9 -4.760 -12.007 -0.545 60 HB3 ASP 9 2HB ASP 9 -6.457 -11.947 -0.112 61 H THR 10 H THR 10 -6.022 -8.544 -1.340 62 HA THR 10 HA THR 10 -8.931 -8.380 -1.278 63 HB THR 10 HB THR 10 -8.299 -9.063 1.021 64 HG1 THR 10 1HG THR 10 -9.506 -7.331 1.827 65 HG21 THR 10 3HG2 THR 10 -6.432 -8.266 2.070 66 HG22 THR 10 1HG2 THR 10 -5.993 -7.438 0.557 67 HG23 THR 10 2HG2 THR 10 -6.957 -6.588 1.789 68 H CYS 11 H CYS 11 -7.120 -7.424 -3.231 69 HA CYS 11 HA CYS 11 -7.643 -4.596 -2.879 70 HB2 CYS 11 1HB CYS 11 -5.212 -5.283 -2.179 71 HB3 CYS 11 2HB CYS 11 -4.938 -5.382 -3.907 72 H ALA 12 H ALA 12 -6.774 -3.565 -5.214 73 HA ALA 12 HA ALA 12 -8.154 -5.211 -7.188 74 HB1 ALA 12 3HB ALA 12 -7.259 -2.303 -7.304 75 HB2 ALA 12 1HB ALA 12 -8.356 -3.129 -8.436 76 HB3 ALA 12 2HB ALA 12 -8.861 -2.848 -6.753 77 H TYR 13 H TYR 13 -4.994 -3.762 -6.369 78 HA TYR 13 HA TYR 13 -3.869 -4.505 -8.922 79 HB2 TYR 13 1HB TYR 13 -2.601 -3.593 -6.267 80 HB3 TYR 13 2HB TYR 13 -1.855 -3.474 -7.848 81 HD1 TYR 13 1HD TYR 13 -3.580 -2.172 -9.611 82 HD2 TYR 13 2HD TYR 13 -3.280 -1.567 -5.387 83 HE1 TYR 13 1HE TYR 13 -4.524 0.175 -9.873 84 HE2 TYR 13 2HE TYR 13 -4.225 0.777 -5.662 85 HH TYR 13 HH TYR 13 -4.947 2.274 -7.033 86 H GLY 14 H GLY 14 -2.374 -6.169 -9.310 87 HA2 GLY 14 1HA GLY 14 -2.392 -8.292 -7.277 88 HA3 GLY 14 2HA GLY 14 -2.076 -8.475 -8.991 89 H ASP 15 H ASP 15 -0.406 -5.749 -8.532 90 HA ASP 15 HA ASP 15 2.002 -7.238 -7.911 91 HB2 ASP 15 1HB ASP 15 1.971 -4.383 -8.913 92 HB3 ASP 15 2HB ASP 15 3.187 -5.618 -9.172 93 H SER 16 H SER 16 3.455 -6.463 -6.240 94 HA SER 16 HA SER 16 2.138 -4.852 -4.277 95 HB2 SER 16 1HB SER 16 3.901 -5.542 -2.789 96 HB3 SER 16 2HB SER 16 3.461 -6.946 -3.741 97 HG SER 16 HG SER 16 5.477 -7.048 -4.427 98 H ASN 17 H ASN 17 4.932 -4.682 -6.529 99 HA ASN 17 HA ASN 17 6.046 -2.375 -5.479 100 HB2 ASN 17 1HB ASN 17 6.250 -3.980 -7.973 101 HB3 ASN 17 2HB ASN 17 6.590 -2.280 -8.231 102 HD21 ASN 17 1HD2 ASN 17 8.338 -4.624 -8.307 103 HD22 ASN 17 2HD2 ASN 17 9.632 -4.338 -7.192 104 H THR 18 H THR 18 3.723 -2.979 -8.215 105 HA THR 18 HA THR 18 3.381 -0.219 -8.812 106 HB THR 18 HB THR 18 2.943 -2.580 -10.121 107 HG1 THR 18 1HG THR 18 1.427 -0.071 -10.312 108 HG21 THR 18 3HG2 THR 18 0.134 -1.553 -9.626 109 HG22 THR 18 1HG2 THR 18 0.651 -3.126 -10.278 110 HG23 THR 18 2HG2 THR 18 0.801 -2.792 -8.536 111 H ALA 19 H ALA 19 1.787 -2.538 -6.623 112 HA ALA 19 HA ALA 19 -0.517 -1.032 -6.155 113 HB1 ALA 19 3HB ALA 19 -0.583 -3.254 -5.428 114 HB2 ALA 19 1HB ALA 19 1.027 -3.164 -4.676 115 HB3 ALA 19 2HB ALA 19 -0.363 -2.368 -3.900 116 H TRP 20 H TRP 20 2.562 -1.259 -4.226 117 HA TRP 20 HA TRP 20 1.921 0.699 -2.392 118 HB2 TRP 20 1HB TRP 20 3.753 -0.742 -1.993 119 HB3 TRP 20 2HB TRP 20 4.552 -0.283 -3.484 120 HD1 TRP 20 HD TRP 20 5.172 2.611 -3.453 121 HE1 TRP 20 1HE TRP 20 6.384 3.994 -1.560 122 HE3 TRP 20 3HE TRP 20 4.186 -0.671 0.304 123 HZ2 TRP 20 2HZ TRP 20 6.785 3.569 1.234 124 HZ3 TRP 20 3HZ TRP 20 5.024 -0.112 2.584 125 HH2 TRP 20 HH TRP 20 6.282 1.925 3.078 126 H THR 21 H THR 21 3.733 0.949 -5.536 127 HA THR 21 HA THR 21 4.148 3.688 -5.474 128 HB THR 21 HB THR 21 4.130 1.457 -7.459 129 HG1 THR 21 1HG THR 21 6.222 2.110 -7.160 130 HG21 THR 21 3HG2 THR 21 4.719 3.466 -9.167 131 HG22 THR 21 1HG2 THR 21 3.068 2.812 -9.049 132 HG23 THR 21 2HG2 THR 21 3.493 4.315 -8.195 133 H THR 22 H THR 22 1.445 1.912 -7.127 134 HA THR 22 HA THR 22 0.078 4.213 -7.890 135 HB THR 22 HB THR 22 -0.846 1.360 -7.267 136 HG1 THR 22 1HG THR 22 0.796 1.762 -8.969 137 HG21 THR 22 3HG2 THR 22 -2.194 3.690 -8.716 138 HG22 THR 22 1HG2 THR 22 -2.621 1.992 -9.039 139 HG23 THR 22 2HG2 THR 22 -2.874 2.681 -7.417 140 H CYS 23 H CYS 23 0.593 2.896 -4.735 141 HA CYS 23 HA CYS 23 -1.810 4.116 -3.692 142 HB2 CYS 23 1HB CYS 23 0.097 2.107 -2.800 143 HB3 CYS 23 2HB CYS 23 -0.220 3.296 -1.552 144 H THR 24 H THR 24 1.765 4.516 -3.800 145 HA THR 24 HA THR 24 1.645 6.877 -2.124 146 HB THR 24 HB THR 24 4.205 6.758 -2.912 147 HG1 THR 24 1HG THR 24 3.463 3.988 -3.130 148 HG21 THR 24 3HG2 THR 24 4.655 4.961 -1.231 149 HG22 THR 24 1HG2 THR 24 3.476 6.135 -0.601 150 HG23 THR 24 2HG2 THR 24 2.921 4.557 -1.208 151 H THR 25 H THR 25 -0.068 7.603 -3.918 152 HA THR 25 HA THR 25 1.427 9.512 -5.535 153 HB THR 25 HB THR 25 -0.275 8.848 -7.443 154 HG1 THR 25 1HG THR 25 -1.490 7.363 -6.107 155 HG21 THR 25 3HG2 THR 25 1.412 6.477 -7.285 156 HG22 THR 25 1HG2 THR 25 1.546 7.857 -8.401 157 HG23 THR 25 2HG2 THR 25 2.357 7.911 -6.818 158 HA PRO 26 HA PRO 26 -1.767 12.143 -4.408 159 HB2 PRO 26 1HB PRO 26 -1.962 13.867 -6.520 160 HB3 PRO 26 2HB PRO 26 -0.707 13.981 -5.302 161 HG2 PRO 26 1HG PRO 26 -0.510 12.989 -8.080 162 HG3 PRO 26 2HG PRO 26 0.774 13.506 -7.005 163 HD2 PRO 26 1HD PRO 26 0.074 10.804 -7.669 164 HD3 PRO 26 2HD PRO 26 1.280 11.319 -6.507 165 H GLY 27 H GLY 27 -3.888 11.928 -4.076 166 HA2 GLY 27 1HA GLY 27 -5.667 11.790 -6.294 167 HA3 GLY 27 2HA GLY 27 -5.403 10.200 -5.606 168 H GLN 28 H GLN 28 -7.445 9.902 -4.657 169 HA GLN 28 HA GLN 28 -8.136 11.891 -2.640 170 HB2 GLN 28 1HB GLN 28 -10.465 11.159 -2.887 171 HB3 GLN 28 2HB GLN 28 -9.817 11.621 -4.449 172 HG2 GLN 28 1HG GLN 28 -9.345 9.207 -4.955 173 HG3 GLN 28 2HG GLN 28 -10.024 8.757 -3.403 174 HE21 GLN 28 1HE2 GLN 28 -11.296 7.478 -5.072 175 HE22 GLN 28 2HE2 GLN 28 -12.793 8.157 -5.616 176 H THR 29 H THR 29 -7.877 8.374 -3.392 177 HA THR 29 HA THR 29 -7.949 7.859 -0.491 178 HB THR 29 HB THR 29 -8.635 5.513 -1.302 179 HG1 THR 29 1HG THR 29 -9.446 5.704 -3.608 180 HG21 THR 29 3HG2 THR 29 -10.711 6.358 -0.825 181 HG22 THR 29 1HG2 THR 29 -10.237 7.984 -1.371 182 HG23 THR 29 2HG2 THR 29 -10.828 6.787 -2.548 183 H CYS 30 H CYS 30 -5.597 8.898 -1.598 184 HA CYS 30 HA CYS 30 -3.866 6.911 -2.511 185 HB2 CYS 30 1HB CYS 30 -3.166 9.069 -2.940 186 HB3 CYS 30 2HB CYS 30 -3.530 9.636 -1.322 187 H TYR 31 H TYR 31 -4.168 8.487 0.765 188 HA TYR 31 HA TYR 31 -2.551 6.483 1.990 189 HB2 TYR 31 1HB TYR 31 -2.668 8.811 2.820 190 HB3 TYR 31 2HB TYR 31 -4.419 8.763 2.863 191 HD1 TYR 31 2HD TYR 31 -5.578 7.353 4.613 192 HD2 TYR 31 1HD TYR 31 -1.362 8.080 4.681 193 HE1 TYR 31 2HE TYR 31 -5.492 6.669 7.060 194 HE2 TYR 31 1HE TYR 31 -1.291 7.393 7.127 195 HH TYR 31 HH TYR 31 -3.702 5.711 8.597 196 H THR 32 H THR 32 -5.883 6.689 1.053 197 HA THR 32 HA THR 32 -6.934 5.089 3.176 198 HB THR 32 HB THR 32 -7.890 6.105 0.467 199 HG1 THR 32 1HG THR 32 -9.430 7.020 2.208 200 HG21 THR 32 3HG2 THR 32 -8.890 3.756 1.178 201 HG22 THR 32 1HG2 THR 32 -9.683 4.688 2.471 202 HG23 THR 32 2HG2 THR 32 -10.011 5.076 0.765 203 H CYS 33 H CYS 33 -5.631 4.471 -0.110 204 HA CYS 33 HA CYS 33 -6.385 1.739 -0.046 205 HB2 CYS 33 1HB CYS 33 -5.214 1.522 -2.093 206 HB3 CYS 33 2HB CYS 33 -6.056 3.059 -2.123 207 H CYS 34 H CYS 34 -3.826 3.712 1.295 208 HA CYS 34 HA CYS 34 -1.792 1.793 1.373 209 HB2 CYS 34 1HB CYS 34 -2.353 4.270 2.996 210 HB3 CYS 34 2HB CYS 34 -0.965 3.249 3.314 211 H SER 35 H SER 35 -4.872 1.957 2.859 212 HA SER 35 HA SER 35 -3.945 0.243 5.030 213 HB2 SER 35 1HB SER 35 -5.003 2.244 5.908 214 HB3 SER 35 2HB SER 35 -6.370 2.073 4.825 215 HG SER 35 HG SER 35 -5.925 -0.183 6.434 216 H SER 36 H SER 36 -5.177 0.111 1.972 217 HA SER 36 HA SER 36 -6.958 -2.099 2.646 218 HB2 SER 36 1HB SER 36 -8.200 -1.661 0.649 219 HB3 SER 36 2HB SER 36 -7.948 -0.100 1.403 220 HG SER 36 HG SER 36 -7.510 -0.082 -0.909 221 H CYS 37 H CYS 37 -4.288 -0.899 0.556 222 HA CYS 37 HA CYS 37 -3.978 -3.551 -0.577 223 HB2 CYS 37 1HB CYS 37 -3.489 -0.911 -1.495 224 HB3 CYS 37 2HB CYS 37 -1.934 -1.712 -1.397 225 H PHE 38 H PHE 38 -3.529 -2.838 2.348 226 HA PHE 38 HA PHE 38 -0.965 -4.108 2.564 227 HB2 PHE 38 1HB PHE 38 -1.594 -1.258 3.525 228 HB3 PHE 38 2HB PHE 38 -0.258 -2.178 4.187 229 HD1 PHE 38 1HD PHE 38 0.877 -3.469 1.817 230 HD2 PHE 38 2HD PHE 38 -0.649 0.462 2.295 231 HE1 PHE 38 1HE PHE 38 2.353 -2.669 -0.049 232 HE2 PHE 38 2HE PHE 38 0.828 1.262 0.430 233 HZ PHE 38 HZ PHE 38 2.311 -0.313 -0.720 234 H ASP 39 H ASP 39 -0.419 -4.391 5.030 235 HA ASP 39 HA ASP 39 -2.967 -4.930 6.331 236 HB2 ASP 39 1HB ASP 39 -1.677 -6.958 5.937 237 HB3 ASP 39 2HB ASP 39 -0.218 -6.224 6.574 238 H VAL 40 H VAL 40 0.021 -5.290 8.138 239 HA VAL 40 HA VAL 40 -0.694 -2.969 9.745 240 HB VAL 40 HB VAL 40 -0.390 -5.227 10.745 241 HG11 VAL 40 1HG1 VAL 40 1.804 -6.200 10.981 242 HG12 VAL 40 2HG1 VAL 40 1.489 -5.930 9.250 243 HG13 VAL 40 3HG1 VAL 40 2.557 -4.822 10.143 244 HG21 VAL 40 3HG2 VAL 40 1.233 -4.406 12.569 245 HG22 VAL 40 1HG2 VAL 40 1.338 -2.906 11.616 246 HG23 VAL 40 2HG2 VAL 40 -0.231 -3.441 12.265 247 H VAL 41 H VAL 41 2.208 -4.466 8.152 248 HA VAL 41 HA VAL 41 3.789 -2.150 8.573 249 HB VAL 41 HB VAL 41 4.155 -4.460 6.656 250 HG11 VAL 41 1HG1 VAL 41 6.576 -3.899 6.884 251 HG12 VAL 41 2HG1 VAL 41 5.621 -2.622 6.092 252 HG13 VAL 41 3HG1 VAL 41 6.115 -2.439 7.792 253 HG21 VAL 41 3HG2 VAL 41 4.697 -4.163 9.599 254 HG22 VAL 41 1HG2 VAL 41 4.011 -5.539 8.703 255 HG23 VAL 41 2HG2 VAL 41 5.753 -5.190 8.600 256 H GLY 42 H GLY 42 2.579 -3.648 5.485 257 HA2 GLY 42 1HA GLY 42 3.117 -1.768 3.684 258 HA3 GLY 42 2HA GLY 42 1.592 -2.630 3.704 259 H GLU 43 H GLU 43 0.753 -1.448 6.350 260 HA GLU 43 HA GLU 43 -0.379 0.909 5.234 261 HB2 GLU 43 1HB GLU 43 -1.502 -0.822 6.813 262 HB3 GLU 43 2HB GLU 43 -0.644 -0.022 8.115 263 HG2 GLU 43 1HG GLU 43 -1.671 2.186 7.293 264 HG3 GLU 43 2HG GLU 43 -2.670 1.236 6.212 265 H GLN 44 H GLN 44 1.539 0.220 8.255 266 HA GLN 44 HA GLN 44 2.007 2.917 8.757 267 HB2 GLN 44 1HB GLN 44 3.410 2.163 10.532 268 HB3 GLN 44 2HB GLN 44 2.164 0.940 10.382 269 HG2 GLN 44 1HG GLN 44 3.763 -0.631 10.062 270 HG3 GLN 44 2HG GLN 44 4.234 0.166 8.574 271 HE21 GLN 44 1HE2 GLN 44 5.847 1.787 8.610 272 HE22 GLN 44 2HE2 GLN 44 7.057 1.840 9.849 273 H ALA 45 H ALA 45 3.328 0.747 6.417 274 HA ALA 45 HA ALA 45 5.874 2.108 6.250 275 HB1 ALA 45 3HB ALA 45 4.599 -0.058 4.529 276 HB2 ALA 45 1HB ALA 45 6.292 0.484 4.443 277 HB3 ALA 45 2HB ALA 45 5.693 -0.335 5.905 278 H CYS 46 H CYS 46 2.792 1.784 4.387 279 HA CYS 46 HA CYS 46 3.694 3.574 2.370 280 HB2 CYS 46 1HB CYS 46 2.086 1.803 1.891 281 HB3 CYS 46 2HB CYS 46 0.933 2.512 3.004 282 H GLN 47 H GLN 47 2.191 3.765 5.548 283 HA GLN 47 HA GLN 47 0.861 6.176 5.247 284 HB2 GLN 47 1HB GLN 47 1.857 4.511 7.521 285 HB3 GLN 47 2HB GLN 47 1.541 6.194 7.892 286 HG2 GLN 47 1HG GLN 47 -0.710 5.605 6.439 287 HG3 GLN 47 2HG GLN 47 -0.373 4.027 7.123 288 HE21 GLN 47 1HE2 GLN 47 -1.729 3.754 8.731 289 HE22 GLN 47 2HE2 GLN 47 -2.014 4.840 10.050 290 H MET 48 H MET 48 4.182 5.442 6.530 291 HA MET 48 HA MET 48 4.824 8.134 6.902 292 HB2 MET 48 1HB MET 48 7.171 7.213 7.109 293 HB3 MET 48 2HB MET 48 6.015 6.292 8.051 294 HG2 MET 48 1HG MET 48 5.912 4.535 6.358 295 HG3 MET 48 2HG MET 48 6.829 5.499 5.218 296 HE1 MET 48 3HE MET 48 8.881 6.071 5.173 297 HE2 MET 48 1HE MET 48 10.121 5.973 6.447 298 HE3 MET 48 2HE MET 48 9.933 4.639 5.283 299 H SER 49 H SER 49 5.015 5.922 4.120 300 HA SER 49 HA SER 49 6.575 7.878 2.672 301 HB2 SER 49 1HB SER 49 5.994 4.973 2.406 302 HB3 SER 49 2HB SER 49 6.057 5.837 0.883 303 HG SER 49 HG SER 49 8.150 4.961 1.660 304 H ALA 50 H ALA 50 3.496 7.805 3.549 305 HA ALA 50 HA ALA 50 2.004 7.698 1.185 306 HB1 ALA 50 3HB ALA 50 1.164 7.578 3.564 307 HB2 ALA 50 1HB ALA 50 1.441 9.332 3.689 308 HB3 ALA 50 2HB ALA 50 0.257 8.698 2.520 309 H GLN 51 H GLN 51 3.342 8.821 -0.398 310 HA GLN 51 HA GLN 51 3.606 11.661 0.058 311 HB2 GLN 51 1HB GLN 51 5.378 9.948 -0.995 312 HB3 GLN 51 2HB GLN 51 4.521 10.315 -2.478 313 HG2 GLN 51 1HG GLN 51 4.922 12.737 -2.157 314 HG3 GLN 51 2HG GLN 51 5.681 12.433 -0.607 315 HE21 GLN 51 1HE2 GLN 51 7.213 13.792 -2.109 316 HE22 GLN 51 2HE2 GLN 51 8.468 12.889 -2.891 317 H CYS 52 H CYS 52 1.069 11.612 0.003 318 HA CYS 52 HA CYS 52 -0.007 11.380 -2.654 319 HB2 CYS 52 1HB CYS 52 -1.538 12.479 -0.326 320 HB3 CYS 52 2HB CYS 52 -2.109 11.548 -1.697 Start of MODEL 7 1 H1 ASN 1 1H ASN 1 9.563 -2.612 -0.194 2 HA ASN 1 HA ASN 1 9.360 -4.253 -1.987 3 HB2 ASN 1 1HB ASN 1 11.540 -5.402 -0.453 4 HB3 ASN 1 2HB ASN 1 10.220 -6.555 -0.465 5 HD21 ASN 1 1HD2 ASN 1 12.947 -6.080 -1.890 6 HD22 ASN 1 2HD2 ASN 1 12.633 -6.488 -3.544 7 HA PRO 2 HA PRO 2 6.068 -4.841 0.998 8 HB2 PRO 2 1HB PRO 2 3.990 -4.622 -0.763 9 HB3 PRO 2 2HB PRO 2 4.691 -3.247 0.068 10 HG2 PRO 2 1HG PRO 2 5.015 -4.070 -2.753 11 HG3 PRO 2 2HG PRO 2 5.342 -2.512 -2.019 12 HD2 PRO 2 1HD PRO 2 7.274 -4.492 -2.775 13 HD3 PRO 2 2HD PRO 2 7.590 -2.986 -1.936 14 H GLU 3 H GLU 3 7.564 -6.994 0.429 15 HA GLU 3 HA GLU 3 5.820 -8.883 -0.834 16 HB2 GLU 3 1HB GLU 3 7.662 -10.353 -0.834 17 HB3 GLU 3 2HB GLU 3 8.413 -8.779 -1.003 18 HG2 GLU 3 1HG GLU 3 8.818 -8.714 1.472 19 HG3 GLU 3 2HG GLU 3 8.084 -10.297 1.628 20 H ASP 4 H ASP 4 7.183 -8.206 2.446 21 HA ASP 4 HA ASP 4 5.876 -10.413 3.604 22 HB2 ASP 4 1HB ASP 4 6.758 -7.913 5.093 23 HB3 ASP 4 2HB ASP 4 6.707 -9.559 5.693 24 H TRP 5 H TRP 5 4.942 -7.225 2.576 25 HA TRP 5 HA TRP 5 2.537 -7.350 4.266 26 HB2 TRP 5 1HB TRP 5 3.115 -4.754 3.083 27 HB3 TRP 5 2HB TRP 5 2.689 -5.182 4.728 28 HD1 TRP 5 HD TRP 5 5.124 -6.653 5.869 29 HE1 TRP 5 1HE TRP 5 7.556 -5.653 6.085 30 HE3 TRP 5 3HE TRP 5 4.542 -3.088 2.291 31 HZ2 TRP 5 2HZ TRP 5 8.933 -3.530 4.764 32 HZ3 TRP 5 3HZ TRP 5 6.479 -1.593 1.815 33 HH2 TRP 5 HH TRP 5 8.617 -1.771 2.985 34 H PHE 6 H PHE 6 1.283 -5.218 2.606 35 HA PHE 6 HA PHE 6 -0.060 -5.065 0.866 36 HB2 PHE 6 1HB PHE 6 1.953 -4.798 -0.469 37 HB3 PHE 6 2HB PHE 6 2.403 -6.479 -0.265 38 HD1 PHE 6 2HD PHE 6 -0.521 -4.582 -1.629 39 HD2 PHE 6 1HD PHE 6 2.224 -7.776 -2.150 40 HE1 PHE 6 2HE PHE 6 -1.582 -5.135 -3.835 41 HE2 PHE 6 1HE PHE 6 1.163 -8.328 -4.356 42 HZ PHE 6 HZ PHE 6 -0.728 -7.001 -5.173 43 H THR 7 H THR 7 -1.978 -6.116 0.700 44 HA THR 7 HA THR 7 -1.873 -9.055 0.512 45 HB THR 7 HB THR 7 -4.104 -8.944 1.647 46 HG1 THR 7 1HG THR 7 -4.415 -6.698 0.668 47 HG21 THR 7 3HG2 THR 7 -2.562 -7.018 3.337 48 HG22 THR 7 1HG2 THR 7 -3.250 -8.601 3.771 49 HG23 THR 7 2HG2 THR 7 -1.693 -8.512 2.913 50 HA PRO 8 HA PRO 8 -3.453 -8.003 -3.467 51 HB2 PRO 8 1HB PRO 8 -2.497 -10.214 -4.759 52 HB3 PRO 8 2HB PRO 8 -1.592 -8.720 -4.618 53 HG2 PRO 8 1HG PRO 8 -1.207 -11.265 -3.164 54 HG3 PRO 8 2HG PRO 8 -0.087 -9.930 -3.356 55 HD2 PRO 8 1HD PRO 8 -1.630 -10.552 -1.020 56 HD3 PRO 8 2HD PRO 8 -0.600 -9.154 -1.254 57 H ASP 9 H ASP 9 -4.277 -10.162 -1.172 58 HA ASP 9 HA ASP 9 -6.092 -11.629 -2.826 59 HB2 ASP 9 1HB ASP 9 -5.591 -11.536 0.181 60 HB3 ASP 9 2HB ASP 9 -6.831 -12.547 -0.534 61 H THR 10 H THR 10 -5.958 -8.634 -1.084 62 HA THR 10 HA THR 10 -8.868 -8.351 -1.324 63 HB THR 10 HB THR 10 -8.394 -8.902 1.041 64 HG1 THR 10 1HG THR 10 -9.866 -7.081 0.360 65 HG21 THR 10 3HG2 THR 10 -7.026 -7.207 2.369 66 HG22 THR 10 1HG2 THR 10 -6.047 -8.229 1.290 67 HG23 THR 10 2HG2 THR 10 -6.437 -6.557 0.820 68 H CYS 11 H CYS 11 -6.926 -7.570 -3.231 69 HA CYS 11 HA CYS 11 -7.436 -4.731 -3.141 70 HB2 CYS 11 1HB CYS 11 -5.000 -5.551 -2.224 71 HB3 CYS 11 2HB CYS 11 -4.659 -5.333 -3.930 72 H ALA 12 H ALA 12 -7.218 -3.784 -5.345 73 HA ALA 12 HA ALA 12 -7.664 -5.838 -7.361 74 HB1 ALA 12 3HB ALA 12 -9.378 -4.289 -7.500 75 HB2 ALA 12 1HB ALA 12 -8.340 -2.933 -7.000 76 HB3 ALA 12 2HB ALA 12 -8.224 -3.579 -8.654 77 H TYR 13 H TYR 13 -5.058 -5.969 -6.612 78 HA TYR 13 HA TYR 13 -3.733 -4.814 -8.943 79 HB2 TYR 13 1HB TYR 13 -2.733 -4.784 -6.027 80 HB3 TYR 13 2HB TYR 13 -1.863 -4.117 -7.394 81 HD1 TYR 13 1HD TYR 13 -5.003 -3.721 -5.412 82 HD2 TYR 13 2HD TYR 13 -2.180 -1.873 -8.043 83 HE1 TYR 13 1HE TYR 13 -6.108 -1.464 -5.024 84 HE2 TYR 13 2HE TYR 13 -3.295 0.378 -7.646 85 HH TYR 13 HH TYR 13 -5.990 0.676 -5.358 86 H GLY 14 H GLY 14 -2.415 -6.275 -9.945 87 HA2 GLY 14 1HA GLY 14 -2.067 -8.866 -8.615 88 HA3 GLY 14 2HA GLY 14 -1.919 -8.526 -10.328 89 H ASP 15 H ASP 15 -0.462 -6.279 -8.015 90 HA ASP 15 HA ASP 15 2.065 -7.606 -8.120 91 HB2 ASP 15 1HB ASP 15 1.966 -4.766 -9.181 92 HB3 ASP 15 2HB ASP 15 3.268 -5.930 -9.322 93 H SER 16 H SER 16 3.447 -6.801 -6.406 94 HA SER 16 HA SER 16 2.047 -5.230 -4.482 95 HB2 SER 16 1HB SER 16 3.952 -5.745 -3.012 96 HB3 SER 16 2HB SER 16 3.388 -7.201 -3.808 97 HG SER 16 HG SER 16 5.808 -5.747 -4.183 98 H ASN 17 H ASN 17 4.740 -4.878 -6.802 99 HA ASN 17 HA ASN 17 5.826 -2.568 -5.730 100 HB2 ASN 17 1HB ASN 17 6.211 -4.224 -8.030 101 HB3 ASN 17 2HB ASN 17 5.951 -2.609 -8.659 102 HD21 ASN 17 1HD2 ASN 17 8.245 -3.163 -9.298 103 HD22 ASN 17 2HD2 ASN 17 9.516 -2.643 -8.242 104 H THR 18 H THR 18 3.394 -3.157 -8.376 105 HA THR 18 HA THR 18 2.922 -0.414 -8.885 106 HB THR 18 HB THR 18 2.485 -2.642 -10.281 107 HG1 THR 18 1HG THR 18 0.719 -1.290 -11.300 108 HG21 THR 18 3HG2 THR 18 -0.309 -2.122 -9.195 109 HG22 THR 18 1HG2 THR 18 0.262 -3.494 -10.174 110 HG23 THR 18 2HG2 THR 18 0.719 -3.374 -8.458 111 H ALA 19 H ALA 19 1.611 -2.751 -6.550 112 HA ALA 19 HA ALA 19 -0.706 -1.332 -5.899 113 HB1 ALA 19 3HB ALA 19 -0.292 -3.676 -5.281 114 HB2 ALA 19 1HB ALA 19 1.047 -3.174 -4.221 115 HB3 ALA 19 2HB ALA 19 -0.624 -2.699 -3.831 116 H TRP 20 H TRP 20 2.495 -1.451 -4.165 117 HA TRP 20 HA TRP 20 1.921 0.560 -2.364 118 HB2 TRP 20 1HB TRP 20 3.784 -0.899 -2.052 119 HB3 TRP 20 2HB TRP 20 4.530 -0.381 -3.551 120 HD1 TRP 20 HD TRP 20 5.094 2.514 -3.473 121 HE1 TRP 20 1HE TRP 20 6.304 3.892 -1.575 122 HE3 TRP 20 3HE TRP 20 4.238 -0.850 0.243 123 HZ2 TRP 20 2HZ TRP 20 6.757 3.431 1.204 124 HZ3 TRP 20 3HZ TRP 20 5.098 -0.309 2.520 125 HH2 TRP 20 HH TRP 20 6.319 1.746 3.029 126 H THR 21 H THR 21 3.468 0.690 -5.645 127 HA THR 21 HA THR 21 3.953 3.418 -5.705 128 HB THR 21 HB THR 21 3.625 1.153 -7.649 129 HG1 THR 21 1HG THR 21 5.622 1.988 -6.533 130 HG21 THR 21 3HG2 THR 21 4.307 3.200 -9.339 131 HG22 THR 21 1HG2 THR 21 2.650 2.562 -9.217 132 HG23 THR 21 2HG2 THR 21 3.106 4.030 -8.321 133 H THR 22 H THR 22 1.116 1.721 -7.211 134 HA THR 22 HA THR 22 -0.268 4.048 -7.811 135 HB THR 22 HB THR 22 -1.268 1.231 -7.132 136 HG1 THR 22 1HG THR 22 -0.371 2.712 -9.500 137 HG21 THR 22 3HG2 THR 22 -2.504 3.595 -8.622 138 HG22 THR 22 1HG2 THR 22 -3.017 1.916 -8.918 139 HG23 THR 22 2HG2 THR 22 -3.228 2.641 -7.305 140 H CYS 23 H CYS 23 0.389 2.612 -4.718 141 HA CYS 23 HA CYS 23 -1.914 3.772 -3.470 142 HB2 CYS 23 1HB CYS 23 0.192 1.910 -2.750 143 HB3 CYS 23 2HB CYS 23 -0.043 3.110 -1.495 144 H THR 24 H THR 24 1.649 4.358 -3.734 145 HA THR 24 HA THR 24 1.420 6.812 -2.209 146 HB THR 24 HB THR 24 3.965 6.802 -2.891 147 HG1 THR 24 1HG THR 24 3.682 5.255 -4.628 148 HG21 THR 24 3HG2 THR 24 4.052 4.375 -1.509 149 HG22 THR 24 1HG2 THR 24 3.985 5.980 -0.742 150 HG23 THR 24 2HG2 THR 24 2.487 5.055 -1.002 151 H THR 25 H THR 25 -0.271 7.623 -3.802 152 HA THR 25 HA THR 25 1.138 9.319 -5.693 153 HB THR 25 HB THR 25 -0.707 8.612 -7.426 154 HG1 THR 25 1HG THR 25 -1.606 6.554 -6.898 155 HG21 THR 25 3HG2 THR 25 1.484 6.639 -6.592 156 HG22 THR 25 1HG2 THR 25 0.579 6.555 -8.122 157 HG23 THR 25 2HG2 THR 25 1.649 7.939 -7.797 158 HA PRO 26 HA PRO 26 -1.846 12.140 -4.457 159 HB2 PRO 26 1HB PRO 26 -2.079 13.794 -6.619 160 HB3 PRO 26 2HB PRO 26 -0.752 13.890 -5.478 161 HG2 PRO 26 1HG PRO 26 -0.761 12.790 -8.222 162 HG3 PRO 26 2HG PRO 26 0.606 13.280 -7.240 163 HD2 PRO 26 1HD PRO 26 -0.259 10.595 -7.759 164 HD3 PRO 26 2HD PRO 26 1.034 11.090 -6.685 165 H GLY 27 H GLY 27 -3.912 11.832 -3.950 166 HA2 GLY 27 1HA GLY 27 -5.895 11.906 -5.964 167 HA3 GLY 27 2HA GLY 27 -5.571 10.242 -5.521 168 H GLN 28 H GLN 28 -7.913 10.395 -4.772 169 HA GLN 28 HA GLN 28 -8.301 11.943 -2.397 170 HB2 GLN 28 1HB GLN 28 -9.973 10.530 -4.352 171 HB3 GLN 28 2HB GLN 28 -10.498 10.207 -2.712 172 HG2 GLN 28 1HG GLN 28 -10.524 12.684 -2.255 173 HG3 GLN 28 2HG GLN 28 -10.059 12.980 -3.919 174 HE21 GLN 28 1HE2 GLN 28 -12.464 11.238 -1.964 175 HE22 GLN 28 2HE2 GLN 28 -13.828 11.504 -2.998 176 H THR 29 H THR 29 -7.615 8.580 -3.350 177 HA THR 29 HA THR 29 -7.664 7.842 -0.497 178 HB THR 29 HB THR 29 -8.110 5.525 -1.371 179 HG1 THR 29 1HG THR 29 -8.013 5.284 -3.598 180 HG21 THR 29 3HG2 THR 29 -10.160 6.896 -2.970 181 HG22 THR 29 1HG2 THR 29 -10.358 5.945 -1.478 182 HG23 THR 29 2HG2 THR 29 -9.955 7.676 -1.383 183 H CYS 30 H CYS 30 -5.472 9.262 -1.308 184 HA CYS 30 HA CYS 30 -3.462 7.623 -2.390 185 HB2 CYS 30 1HB CYS 30 -3.149 9.930 -2.608 186 HB3 CYS 30 2HB CYS 30 -3.478 10.241 -0.915 187 H TYR 31 H TYR 31 -4.299 8.712 0.978 188 HA TYR 31 HA TYR 31 -2.385 6.830 2.073 189 HB2 TYR 31 1HB TYR 31 -2.656 9.114 3.026 190 HB3 TYR 31 2HB TYR 31 -4.394 8.911 3.123 191 HD1 TYR 31 2HD TYR 31 -5.362 7.300 4.813 192 HD2 TYR 31 1HD TYR 31 -1.222 8.382 4.789 193 HE1 TYR 31 2HE TYR 31 -5.124 6.474 7.206 194 HE2 TYR 31 1HE TYR 31 -0.999 7.552 7.182 195 HH TYR 31 HH TYR 31 -2.724 5.561 8.565 196 H THR 32 H THR 32 -5.750 6.950 1.195 197 HA THR 32 HA THR 32 -6.678 5.129 3.191 198 HB THR 32 HB THR 32 -7.788 6.126 0.516 199 HG1 THR 32 1HG THR 32 -8.884 7.533 2.017 200 HG21 THR 32 3HG2 THR 32 -9.350 4.886 2.825 201 HG22 THR 32 1HG2 THR 32 -9.929 5.260 1.184 202 HG23 THR 32 2HG2 THR 32 -8.805 3.905 1.443 203 H CYS 33 H CYS 33 -5.429 4.846 -0.162 204 HA CYS 33 HA CYS 33 -6.075 2.116 -0.380 205 HB2 CYS 33 1HB CYS 33 -5.772 3.041 -2.435 206 HB3 CYS 33 2HB CYS 33 -4.465 4.085 -1.912 207 H CYS 34 H CYS 34 -3.600 3.970 1.265 208 HA CYS 34 HA CYS 34 -1.575 2.022 1.260 209 HB2 CYS 34 1HB CYS 34 -2.151 4.427 2.978 210 HB3 CYS 34 2HB CYS 34 -0.812 3.353 3.332 211 H SER 35 H SER 35 -4.704 2.081 2.592 212 HA SER 35 HA SER 35 -3.872 0.257 4.713 213 HB2 SER 35 1HB SER 35 -4.952 2.242 5.640 214 HB3 SER 35 2HB SER 35 -6.299 2.091 4.529 215 HG SER 35 HG SER 35 -6.590 1.250 6.808 216 H SER 36 H SER 36 -4.963 0.302 1.609 217 HA SER 36 HA SER 36 -6.902 -1.822 2.063 218 HB2 SER 36 1HB SER 36 -7.970 -1.210 0.092 219 HB3 SER 36 2HB SER 36 -7.352 0.347 0.607 220 HG SER 36 HG SER 36 -6.880 -0.043 -1.635 221 H CYS 37 H CYS 37 -3.988 -0.847 0.154 222 HA CYS 37 HA CYS 37 -3.697 -3.585 -0.755 223 HB2 CYS 37 1HB CYS 37 -2.782 -0.951 -1.660 224 HB3 CYS 37 2HB CYS 37 -1.530 -2.176 -1.715 225 H PHE 38 H PHE 38 -3.451 -2.794 2.127 226 HA PHE 38 HA PHE 38 -0.918 -4.047 2.596 227 HB2 PHE 38 1HB PHE 38 -1.597 -1.161 3.411 228 HB3 PHE 38 2HB PHE 38 -0.301 -2.062 4.173 229 HD1 PHE 38 1HD PHE 38 1.089 -3.372 2.040 230 HD2 PHE 38 2HD PHE 38 -0.710 0.471 2.052 231 HE1 PHE 38 1HE PHE 38 2.667 -2.628 0.236 232 HE2 PHE 38 2HE PHE 38 0.868 1.215 0.248 233 HZ PHE 38 HZ PHE 38 2.538 -0.343 -0.639 234 H ASP 39 H ASP 39 -0.572 -4.294 5.078 235 HA ASP 39 HA ASP 39 -3.218 -4.708 6.220 236 HB2 ASP 39 1HB ASP 39 -1.981 -6.790 5.963 237 HB3 ASP 39 2HB ASP 39 -0.541 -6.091 6.677 238 H VAL 40 H VAL 40 -0.367 -5.122 8.227 239 HA VAL 40 HA VAL 40 -1.101 -2.736 9.727 240 HB VAL 40 HB VAL 40 -0.946 -4.970 10.804 241 HG11 VAL 40 1HG1 VAL 40 0.996 -5.778 9.438 242 HG12 VAL 40 2HG1 VAL 40 2.048 -4.701 10.388 243 HG13 VAL 40 3HG1 VAL 40 1.179 -6.032 11.190 244 HG21 VAL 40 3HG2 VAL 40 -0.099 -4.138 12.802 245 HG22 VAL 40 1HG2 VAL 40 1.198 -3.223 11.995 246 HG23 VAL 40 2HG2 VAL 40 -0.485 -2.648 11.907 247 H VAL 41 H VAL 41 1.857 -4.378 8.398 248 HA VAL 41 HA VAL 41 3.465 -2.080 8.840 249 HB VAL 41 HB VAL 41 3.913 -4.507 7.090 250 HG11 VAL 41 1HG1 VAL 41 6.273 -3.993 7.251 251 HG12 VAL 41 2HG1 VAL 41 5.410 -2.571 6.620 252 HG13 VAL 41 3HG1 VAL 41 5.939 -2.609 8.319 253 HG21 VAL 41 3HG2 VAL 41 5.392 -5.053 9.235 254 HG22 VAL 41 1HG2 VAL 41 4.157 -4.053 10.036 255 HG23 VAL 41 2HG2 VAL 41 3.675 -5.511 9.136 256 H GLY 42 H GLY 42 2.349 -3.698 5.775 257 HA2 GLY 42 1HA GLY 42 3.110 -1.983 3.891 258 HA3 GLY 42 2HA GLY 42 1.525 -2.731 3.886 259 H GLU 43 H GLU 43 0.605 -1.340 6.374 260 HA GLU 43 HA GLU 43 -0.237 1.042 5.062 261 HB2 GLU 43 1HB GLU 43 -1.522 -0.601 6.731 262 HB3 GLU 43 2HB GLU 43 -0.851 0.456 7.957 263 HG2 GLU 43 1HG GLU 43 -2.004 1.965 5.697 264 HG3 GLU 43 2HG GLU 43 -3.184 0.923 6.466 265 H GLN 44 H GLN 44 1.518 0.258 8.151 266 HA GLN 44 HA GLN 44 2.073 2.921 8.731 267 HB2 GLN 44 1HB GLN 44 3.365 2.081 10.525 268 HB3 GLN 44 2HB GLN 44 2.151 0.843 10.272 269 HG2 GLN 44 1HG GLN 44 3.894 -0.618 10.140 270 HG3 GLN 44 2HG GLN 44 4.153 0.024 8.530 271 HE21 GLN 44 1HE2 GLN 44 6.042 -1.057 10.470 272 HE22 GLN 44 2HE2 GLN 44 7.241 0.158 10.760 273 H ALA 45 H ALA 45 3.416 0.702 6.414 274 HA ALA 45 HA ALA 45 5.968 2.055 6.289 275 HB1 ALA 45 3HB ALA 45 4.722 -0.153 4.601 276 HB2 ALA 45 1HB ALA 45 6.409 0.404 4.495 277 HB3 ALA 45 2HB ALA 45 5.823 -0.382 5.981 278 H CYS 46 H CYS 46 2.914 1.734 4.388 279 HA CYS 46 HA CYS 46 3.859 3.432 2.322 280 HB2 CYS 46 1HB CYS 46 2.173 1.707 1.928 281 HB3 CYS 46 2HB CYS 46 1.059 2.516 3.012 282 H GLN 47 H GLN 47 2.402 3.794 5.505 283 HA GLN 47 HA GLN 47 1.122 6.207 5.173 284 HB2 GLN 47 1HB GLN 47 2.228 4.634 7.453 285 HB3 GLN 47 2HB GLN 47 2.007 6.344 7.769 286 HG2 GLN 47 1HG GLN 47 -0.368 5.799 6.518 287 HG3 GLN 47 2HG GLN 47 -0.044 4.229 7.227 288 HE21 GLN 47 1HE2 GLN 47 -1.146 4.005 9.011 289 HE22 GLN 47 2HE2 GLN 47 -1.334 5.162 10.286 290 H MET 48 H MET 48 4.539 5.481 6.149 291 HA MET 48 HA MET 48 5.250 8.152 6.463 292 HB2 MET 48 1HB MET 48 6.639 5.493 6.136 293 HB3 MET 48 2HB MET 48 7.624 6.915 5.856 294 HG2 MET 48 1HG MET 48 6.026 7.311 8.260 295 HG3 MET 48 2HG MET 48 6.876 5.783 8.374 296 HE1 MET 48 3HE MET 48 7.098 8.150 10.158 297 HE2 MET 48 1HE MET 48 8.481 7.100 10.552 298 HE3 MET 48 2HE MET 48 8.738 8.835 10.249 299 H SER 49 H SER 49 5.349 5.905 3.652 300 HA SER 49 HA SER 49 6.763 7.742 2.040 301 HB2 SER 49 1HB SER 49 6.943 5.379 1.554 302 HB3 SER 49 2HB SER 49 5.203 5.198 1.442 303 HG SER 49 HG SER 49 7.026 6.387 -0.419 304 H ALA 50 H ALA 50 3.429 7.277 2.998 305 HA ALA 50 HA ALA 50 2.008 8.152 0.836 306 HB1 ALA 50 3HB ALA 50 1.522 8.900 3.747 307 HB2 ALA 50 1HB ALA 50 0.307 8.780 2.451 308 HB3 ALA 50 2HB ALA 50 1.130 7.315 3.038 309 H GLN 51 H GLN 51 2.848 9.771 -0.461 310 HA GLN 51 HA GLN 51 3.551 12.241 0.899 311 HB2 GLN 51 1HB GLN 51 4.809 10.810 -1.164 312 HB3 GLN 51 2HB GLN 51 4.050 12.150 -2.000 313 HG2 GLN 51 1HG GLN 51 5.102 13.459 0.184 314 HG3 GLN 51 2HG GLN 51 6.275 12.171 -0.008 315 HE21 GLN 51 1HE2 GLN 51 5.580 15.240 -0.826 316 HE22 GLN 51 2HE2 GLN 51 6.434 15.410 -2.323 317 H CYS 52 H CYS 52 0.916 12.030 1.077 318 HA CYS 52 HA CYS 52 -0.257 13.202 -1.311 319 HB2 CYS 52 1HB CYS 52 -2.015 12.737 0.989 320 HB3 CYS 52 2HB CYS 52 -2.215 12.307 -0.699 Start of MODEL 8 1 H1 ASN 1 1H ASN 1 9.178 -5.867 -1.574 2 HA ASN 1 HA ASN 1 10.613 -5.167 0.549 3 HB2 ASN 1 1HB ASN 1 10.120 -2.782 -0.962 4 HB3 ASN 1 2HB ASN 1 9.058 -2.692 0.430 5 HD21 ASN 1 1HD2 ASN 1 11.942 -1.777 -0.658 6 HD22 ASN 1 2HD2 ASN 1 12.883 -1.709 0.795 7 HA PRO 2 HA PRO 2 5.910 -4.692 1.264 8 HB2 PRO 2 1HB PRO 2 4.228 -4.485 -0.880 9 HB3 PRO 2 2HB PRO 2 4.831 -3.096 0.002 10 HG2 PRO 2 1HG PRO 2 5.648 -4.102 -2.655 11 HG3 PRO 2 2HG PRO 2 5.913 -2.519 -1.951 12 HD2 PRO 2 1HD PRO 2 7.841 -4.627 -2.211 13 HD3 PRO 2 2HD PRO 2 8.073 -3.089 -1.404 14 H GLU 3 H GLU 3 7.572 -6.828 -0.425 15 HA GLU 3 HA GLU 3 5.677 -8.668 -1.205 16 HB2 GLU 3 1HB GLU 3 8.345 -9.544 -0.089 17 HB3 GLU 3 2HB GLU 3 7.481 -10.160 -1.483 18 HG2 GLU 3 1HG GLU 3 7.850 -7.565 -2.281 19 HG3 GLU 3 2HG GLU 3 9.259 -7.762 -1.257 20 H ASP 4 H ASP 4 7.313 -8.133 1.962 21 HA ASP 4 HA ASP 4 6.176 -10.424 3.130 22 HB2 ASP 4 1HB ASP 4 7.033 -7.988 4.714 23 HB3 ASP 4 2HB ASP 4 7.204 -9.680 5.139 24 H TRP 5 H TRP 5 5.017 -7.280 2.261 25 HA TRP 5 HA TRP 5 2.739 -7.586 4.097 26 HB2 TRP 5 1HB TRP 5 3.179 -4.870 3.164 27 HB3 TRP 5 2HB TRP 5 2.875 -5.478 4.779 28 HD1 TRP 5 HD TRP 5 5.427 -6.978 5.594 29 HE1 TRP 5 1HE TRP 5 7.835 -5.912 5.768 30 HE3 TRP 5 3HE TRP 5 4.492 -3.066 2.484 31 HZ2 TRP 5 2HZ TRP 5 9.051 -3.604 4.612 32 HZ3 TRP 5 3HZ TRP 5 6.344 -1.451 2.060 33 HH2 TRP 5 HH TRP 5 8.560 -1.672 3.066 34 H PHE 6 H PHE 6 1.393 -5.310 2.691 35 HA PHE 6 HA PHE 6 -0.021 -5.014 1.027 36 HB2 PHE 6 1HB PHE 6 1.923 -4.629 -0.375 37 HB3 PHE 6 2HB PHE 6 2.396 -6.315 -0.318 38 HD1 PHE 6 2HD PHE 6 -0.462 -4.221 -1.506 39 HD2 PHE 6 1HD PHE 6 2.010 -7.602 -2.190 40 HE1 PHE 6 2HE PHE 6 -1.613 -4.619 -3.701 41 HE2 PHE 6 1HE PHE 6 0.859 -8.000 -4.385 42 HZ PHE 6 HZ PHE 6 -0.938 -6.503 -5.114 43 H THR 7 H THR 7 -1.946 -6.038 0.770 44 HA THR 7 HA THR 7 -1.854 -8.960 0.400 45 HB THR 7 HB THR 7 -4.062 -8.922 1.578 46 HG1 THR 7 1HG THR 7 -4.361 -6.607 0.729 47 HG21 THR 7 3HG2 THR 7 -2.377 -7.092 3.287 48 HG22 THR 7 1HG2 THR 7 -3.237 -8.582 3.743 49 HG23 THR 7 2HG2 THR 7 -1.693 -8.681 2.863 50 HA PRO 8 HA PRO 8 -3.491 -7.687 -3.482 51 HB2 PRO 8 1HB PRO 8 -2.643 -9.871 -4.890 52 HB3 PRO 8 2HB PRO 8 -1.678 -8.420 -4.698 53 HG2 PRO 8 1HG PRO 8 -1.368 -11.042 -3.368 54 HG3 PRO 8 2HG PRO 8 -0.201 -9.744 -3.521 55 HD2 PRO 8 1HD PRO 8 -1.728 -10.414 -1.186 56 HD3 PRO 8 2HD PRO 8 -0.648 -9.047 -1.376 57 H ASP 9 H ASP 9 -4.392 -9.863 -1.256 58 HA ASP 9 HA ASP 9 -6.280 -11.201 -2.946 59 HB2 ASP 9 1HB ASP 9 -5.744 -11.262 0.057 60 HB3 ASP 9 2HB ASP 9 -7.015 -12.204 -0.696 61 H THR 10 H THR 10 -5.993 -8.272 -1.141 62 HA THR 10 HA THR 10 -8.893 -7.875 -1.281 63 HB THR 10 HB THR 10 -8.404 -8.515 1.051 64 HG1 THR 10 1HG THR 10 -8.468 -5.603 0.695 65 HG21 THR 10 3HG2 THR 10 -6.905 -6.969 2.404 66 HG22 THR 10 1HG2 THR 10 -6.009 -7.980 1.245 67 HG23 THR 10 2HG2 THR 10 -6.329 -6.269 0.872 68 H CYS 11 H CYS 11 -7.106 -7.093 -3.259 69 HA CYS 11 HA CYS 11 -7.434 -4.242 -3.023 70 HB2 CYS 11 1HB CYS 11 -5.069 -5.025 -2.157 71 HB3 CYS 11 2HB CYS 11 -4.709 -5.147 -3.868 72 H ALA 12 H ALA 12 -6.946 -3.219 -5.259 73 HA ALA 12 HA ALA 12 -8.077 -4.943 -7.257 74 HB1 ALA 12 3HB ALA 12 -8.881 -2.949 -7.901 75 HB2 ALA 12 1HB ALA 12 -7.848 -2.122 -6.710 76 HB3 ALA 12 2HB ALA 12 -7.232 -2.449 -8.348 77 H TYR 13 H TYR 13 -4.896 -3.599 -6.366 78 HA TYR 13 HA TYR 13 -3.711 -4.447 -8.858 79 HB2 TYR 13 1HB TYR 13 -2.438 -3.572 -6.199 80 HB3 TYR 13 2HB TYR 13 -1.723 -3.420 -7.792 81 HD1 TYR 13 2HD TYR 13 -3.643 -2.115 -9.451 82 HD2 TYR 13 1HD TYR 13 -2.894 -1.496 -5.284 83 HE1 TYR 13 2HE TYR 13 -4.560 0.250 -9.630 84 HE2 TYR 13 1HE TYR 13 -3.813 0.867 -5.477 85 HH TYR 13 HH TYR 13 -4.616 2.238 -8.599 86 H GLY 14 H GLY 14 -2.253 -6.169 -9.145 87 HA2 GLY 14 1HA GLY 14 -2.468 -8.262 -7.099 88 HA3 GLY 14 2HA GLY 14 -2.028 -8.469 -8.782 89 H ASP 15 H ASP 15 -0.179 -6.041 -8.683 90 HA ASP 15 HA ASP 15 2.063 -7.519 -7.683 91 HB2 ASP 15 1HB ASP 15 2.121 -4.721 -8.876 92 HB3 ASP 15 2HB ASP 15 3.412 -5.906 -8.860 93 H SER 16 H SER 16 3.455 -6.745 -5.961 94 HA SER 16 HA SER 16 2.114 -5.019 -4.128 95 HB2 SER 16 1HB SER 16 3.748 -5.722 -2.536 96 HB3 SER 16 2HB SER 16 3.411 -7.137 -3.513 97 HG SER 16 HG SER 16 5.409 -5.834 -4.759 98 H ASN 17 H ASN 17 4.873 -4.933 -6.390 99 HA ASN 17 HA ASN 17 6.035 -2.621 -5.341 100 HB2 ASN 17 1HB ASN 17 6.470 -4.443 -7.544 101 HB3 ASN 17 2HB ASN 17 6.481 -2.819 -8.201 102 HD21 ASN 17 1HD2 ASN 17 8.164 -1.515 -7.880 103 HD22 ASN 17 2HD2 ASN 17 9.564 -1.880 -6.927 104 H THR 18 H THR 18 3.763 -3.316 -8.092 105 HA THR 18 HA THR 18 3.489 -0.571 -8.817 106 HB THR 18 HB THR 18 3.078 -2.979 -10.056 107 HG1 THR 18 1HG THR 18 3.170 -0.837 -11.031 108 HG21 THR 18 3HG2 THR 18 0.759 -3.439 -10.344 109 HG22 THR 18 1HG2 THR 18 0.888 -3.167 -8.590 110 HG23 THR 18 2HG2 THR 18 0.273 -1.875 -9.649 111 H ALA 19 H ALA 19 1.821 -2.790 -6.590 112 HA ALA 19 HA ALA 19 -0.503 -1.274 -6.271 113 HB1 ALA 19 3HB ALA 19 -0.559 -3.478 -5.461 114 HB2 ALA 19 1HB ALA 19 0.997 -3.311 -4.614 115 HB3 ALA 19 2HB ALA 19 -0.457 -2.509 -3.972 116 H TRP 20 H TRP 20 2.529 -1.386 -4.262 117 HA TRP 20 HA TRP 20 1.807 0.660 -2.541 118 HB2 TRP 20 1HB TRP 20 3.611 -0.807 -2.020 119 HB3 TRP 20 2HB TRP 20 4.496 -0.350 -3.462 120 HD1 TRP 20 HD TRP 20 4.961 2.612 -3.395 121 HE1 TRP 20 1HE TRP 20 6.077 4.002 -1.450 122 HE3 TRP 20 3HE TRP 20 4.060 -0.797 0.268 123 HZ2 TRP 20 2HZ TRP 20 6.451 3.531 1.340 124 HZ3 TRP 20 3HZ TRP 20 4.833 -0.255 2.575 125 HH2 TRP 20 HH TRP 20 5.991 1.822 3.138 126 H THR 21 H THR 21 3.699 0.709 -5.642 127 HA THR 21 HA THR 21 4.170 3.446 -5.704 128 HB THR 21 HB THR 21 4.181 1.112 -7.572 129 HG1 THR 21 1HG THR 21 6.295 1.768 -7.367 130 HG21 THR 21 3HG2 THR 21 3.201 2.424 -9.255 131 HG22 THR 21 1HG2 THR 21 3.664 3.952 -8.469 132 HG23 THR 21 2HG2 THR 21 4.881 3.004 -9.357 133 H THR 22 H THR 22 1.417 1.569 -7.122 134 HA THR 22 HA THR 22 0.128 3.860 -8.137 135 HB THR 22 HB THR 22 -0.978 1.115 -7.338 136 HG1 THR 22 1HG THR 22 0.098 2.257 -9.820 137 HG21 THR 22 3HG2 THR 22 -2.590 1.527 -9.172 138 HG22 THR 22 1HG2 THR 22 -2.735 2.823 -7.960 139 HG23 THR 22 2HG2 THR 22 -1.859 3.121 -9.481 140 H CYS 23 H CYS 23 0.506 2.643 -4.906 141 HA CYS 23 HA CYS 23 -1.896 3.936 -3.981 142 HB2 CYS 23 1HB CYS 23 -0.149 1.901 -3.015 143 HB3 CYS 23 2HB CYS 23 -0.158 3.198 -1.838 144 H THR 24 H THR 24 1.649 4.413 -4.164 145 HA THR 24 HA THR 24 1.525 6.816 -2.549 146 HB THR 24 HB THR 24 4.050 6.768 -3.334 147 HG1 THR 24 1HG THR 24 3.530 5.235 -5.088 148 HG21 THR 24 3HG2 THR 24 4.621 5.288 -1.581 149 HG22 THR 24 1HG2 THR 24 2.977 5.773 -1.103 150 HG23 THR 24 2HG2 THR 24 3.243 4.212 -1.915 151 H THR 25 H THR 25 -0.264 7.491 -4.257 152 HA THR 25 HA THR 25 1.147 9.304 -6.068 153 HB THR 25 HB THR 25 -0.500 8.685 -7.874 154 HG1 THR 25 1HG THR 25 -1.850 6.838 -7.363 155 HG21 THR 25 3HG2 THR 25 0.528 5.989 -7.077 156 HG22 THR 25 1HG2 THR 25 0.719 6.860 -8.617 157 HG23 THR 25 2HG2 THR 25 1.768 7.257 -7.235 158 HA PRO 26 HA PRO 26 -1.749 12.143 -4.673 159 HB2 PRO 26 1HB PRO 26 -1.988 13.868 -6.779 160 HB3 PRO 26 2HB PRO 26 -0.638 13.901 -5.662 161 HG2 PRO 26 1HG PRO 26 -0.722 12.887 -8.437 162 HG3 PRO 26 2HG PRO 26 0.672 13.319 -7.468 163 HD2 PRO 26 1HD PRO 26 -0.258 10.669 -8.052 164 HD3 PRO 26 2HD PRO 26 1.066 11.105 -6.990 165 H GLY 27 H GLY 27 -3.818 11.903 -4.142 166 HA2 GLY 27 1HA GLY 27 -5.787 11.944 -6.221 167 HA3 GLY 27 2HA GLY 27 -5.559 10.337 -5.562 168 H GLN 28 H GLN 28 -7.546 10.161 -4.467 169 HA GLN 28 HA GLN 28 -7.959 12.169 -2.395 170 HB2 GLN 28 1HB GLN 28 -9.833 10.529 -4.083 171 HB3 GLN 28 2HB GLN 28 -10.351 10.935 -2.459 172 HG2 GLN 28 1HG GLN 28 -10.035 13.337 -2.900 173 HG3 GLN 28 2HG GLN 28 -9.337 12.997 -4.471 174 HE21 GLN 28 1HE2 GLN 28 -10.699 13.667 -5.946 175 HE22 GLN 28 2HE2 GLN 28 -12.395 13.327 -6.034 176 H THR 29 H THR 29 -8.048 8.633 -3.145 177 HA THR 29 HA THR 29 -7.872 8.125 -0.249 178 HB THR 29 HB THR 29 -8.801 5.862 -0.916 179 HG1 THR 29 1HG THR 29 -8.178 5.771 -3.113 180 HG21 THR 29 3HG2 THR 29 -11.069 6.588 -1.464 181 HG22 THR 29 1HG2 THR 29 -10.386 7.794 -0.347 182 HG23 THR 29 2HG2 THR 29 -10.469 8.143 -2.091 183 H CYS 30 H CYS 30 -5.565 9.036 -1.567 184 HA CYS 30 HA CYS 30 -4.027 6.928 -2.570 185 HB2 CYS 30 1HB CYS 30 -3.253 9.021 -3.151 186 HB3 CYS 30 2HB CYS 30 -3.459 9.677 -1.539 187 H TYR 31 H TYR 31 -4.020 8.614 0.663 188 HA TYR 31 HA TYR 31 -2.373 6.585 1.821 189 HB2 TYR 31 1HB TYR 31 -2.246 8.875 2.647 190 HB3 TYR 31 2HB TYR 31 -3.990 9.042 2.671 191 HD1 TYR 31 2HD TYR 31 -5.312 7.724 4.431 192 HD2 TYR 31 1HD TYR 31 -1.063 8.203 4.583 193 HE1 TYR 31 2HE TYR 31 -5.327 7.137 6.904 194 HE2 TYR 31 1HE TYR 31 -1.093 7.615 7.056 195 HH TYR 31 HH TYR 31 -3.960 7.534 8.854 196 H THR 32 H THR 32 -5.614 6.607 0.908 197 HA THR 32 HA THR 32 -6.518 5.104 3.245 198 HB THR 32 HB THR 32 -7.838 6.395 0.816 199 HG1 THR 32 1HG THR 32 -8.727 7.611 2.596 200 HG21 THR 32 3HG2 THR 32 -9.922 5.451 1.366 201 HG22 THR 32 1HG2 THR 32 -8.856 4.057 1.660 202 HG23 THR 32 2HG2 THR 32 -9.413 5.054 3.025 203 H CYS 33 H CYS 33 -5.622 4.705 -0.179 204 HA CYS 33 HA CYS 33 -6.702 2.130 -0.437 205 HB2 CYS 33 1HB CYS 33 -5.456 1.972 -2.458 206 HB3 CYS 33 2HB CYS 33 -6.097 3.597 -2.327 207 H CYS 34 H CYS 34 -3.746 3.505 0.972 208 HA CYS 34 HA CYS 34 -2.117 1.280 0.922 209 HB2 CYS 34 1HB CYS 34 -2.311 3.479 2.990 210 HB3 CYS 34 2HB CYS 34 -1.011 2.306 2.905 211 H SER 35 H SER 35 -4.791 2.282 3.112 212 HA SER 35 HA SER 35 -4.317 0.152 4.915 213 HB2 SER 35 1HB SER 35 -6.187 0.986 6.118 214 HB3 SER 35 2HB SER 35 -5.452 2.411 5.410 215 HG SER 35 HG SER 35 -7.709 2.501 5.059 216 H SER 36 H SER 36 -5.309 0.121 1.762 217 HA SER 36 HA SER 36 -7.029 -2.178 2.262 218 HB2 SER 36 1HB SER 36 -7.393 0.121 0.334 219 HB3 SER 36 2HB SER 36 -8.020 -1.458 -0.098 220 HG SER 36 HG SER 36 -8.632 -0.615 2.527 221 H CYS 37 H CYS 37 -4.019 -1.401 1.488 222 HA CYS 37 HA CYS 37 -3.840 -3.513 -0.507 223 HB2 CYS 37 1HB CYS 37 -3.474 -0.789 -1.135 224 HB3 CYS 37 2HB CYS 37 -1.866 -1.481 -1.053 225 H PHE 38 H PHE 38 -3.373 -2.891 2.523 226 HA PHE 38 HA PHE 38 -0.870 -4.281 2.655 227 HB2 PHE 38 1HB PHE 38 -1.314 -1.450 3.778 228 HB3 PHE 38 2HB PHE 38 0.059 -2.449 4.211 229 HD1 PHE 38 2HD PHE 38 1.142 -3.517 1.853 230 HD2 PHE 38 1HD PHE 38 -0.743 0.253 2.349 231 HE1 PHE 38 2HE PHE 38 2.414 -2.622 -0.117 232 HE2 PHE 38 1HE PHE 38 0.528 1.148 0.379 233 HZ PHE 38 HZ PHE 38 2.091 -0.300 -0.831 234 H ASP 39 H ASP 39 -0.262 -4.535 5.144 235 HA ASP 39 HA ASP 39 -2.801 -5.056 6.468 236 HB2 ASP 39 1HB ASP 39 -1.511 -7.085 6.100 237 HB3 ASP 39 2HB ASP 39 -0.047 -6.337 6.707 238 H VAL 40 H VAL 40 0.214 -5.366 8.249 239 HA VAL 40 HA VAL 40 -0.510 -3.028 9.831 240 HB VAL 40 HB VAL 40 -0.121 -5.388 10.749 241 HG11 VAL 40 1HG1 VAL 40 1.943 -5.880 9.511 242 HG12 VAL 40 2HG1 VAL 40 2.774 -4.553 10.358 243 HG13 VAL 40 3HG1 VAL 40 2.207 -5.973 11.269 244 HG21 VAL 40 3HG2 VAL 40 1.182 -2.893 11.853 245 HG22 VAL 40 1HG2 VAL 40 -0.371 -3.636 12.303 246 HG23 VAL 40 2HG2 VAL 40 1.158 -4.425 12.759 247 H VAL 41 H VAL 41 2.341 -4.536 8.170 248 HA VAL 41 HA VAL 41 3.959 -2.239 8.590 249 HB VAL 41 HB VAL 41 4.302 -4.492 6.605 250 HG11 VAL 41 1HG1 VAL 41 6.311 -2.652 7.950 251 HG12 VAL 41 2HG1 VAL 41 6.707 -4.008 6.867 252 HG13 VAL 41 3HG1 VAL 41 5.811 -2.602 6.243 253 HG21 VAL 41 3HG2 VAL 41 4.074 -5.693 8.570 254 HG22 VAL 41 1HG2 VAL 41 5.823 -5.362 8.561 255 HG23 VAL 41 2HG2 VAL 41 4.737 -4.384 9.577 256 H GLY 42 H GLY 42 2.958 -3.707 5.427 257 HA2 GLY 42 1HA GLY 42 3.400 -1.742 3.715 258 HA3 GLY 42 2HA GLY 42 1.937 -2.704 3.647 259 H GLU 43 H GLU 43 0.858 -1.692 6.245 260 HA GLU 43 HA GLU 43 -0.365 0.627 5.164 261 HB2 GLU 43 1HB GLU 43 -1.438 -1.218 6.636 262 HB3 GLU 43 2HB GLU 43 -0.679 -0.423 8.001 263 HG2 GLU 43 1HG GLU 43 -1.801 1.767 7.080 264 HG3 GLU 43 2HG GLU 43 -2.797 0.687 6.124 265 H GLN 44 H GLN 44 1.485 -0.024 8.236 266 HA GLN 44 HA GLN 44 1.738 2.688 8.828 267 HB2 GLN 44 1HB GLN 44 3.079 1.984 10.659 268 HB3 GLN 44 2HB GLN 44 1.955 0.665 10.403 269 HG2 GLN 44 1HG GLN 44 3.777 -0.693 10.299 270 HG3 GLN 44 2HG GLN 44 4.062 -0.019 8.706 271 HE21 GLN 44 1HE2 GLN 44 6.239 -0.068 8.737 272 HE22 GLN 44 2HE2 GLN 44 7.242 0.890 9.774 273 H ALA 45 H ALA 45 3.332 0.641 6.534 274 HA ALA 45 HA ALA 45 5.775 2.185 6.509 275 HB1 ALA 45 3HB ALA 45 5.795 -0.255 6.126 276 HB2 ALA 45 1HB ALA 45 4.742 -0.043 4.706 277 HB3 ALA 45 2HB ALA 45 6.392 0.624 4.698 278 H CYS 46 H CYS 46 2.887 1.605 4.395 279 HA CYS 46 HA CYS 46 3.709 3.406 2.418 280 HB2 CYS 46 1HB CYS 46 2.072 1.647 2.017 281 HB3 CYS 46 2HB CYS 46 0.948 2.398 3.132 282 H GLN 47 H GLN 47 2.127 3.703 5.576 283 HA GLN 47 HA GLN 47 0.854 6.107 5.238 284 HB2 GLN 47 1HB GLN 47 1.935 4.544 7.544 285 HB3 GLN 47 2HB GLN 47 1.629 6.241 7.856 286 HG2 GLN 47 1HG GLN 47 -0.687 5.713 6.607 287 HG3 GLN 47 2HG GLN 47 -0.325 4.068 7.091 288 HE21 GLN 47 1HE2 GLN 47 0.105 7.292 8.553 289 HE22 GLN 47 2HE2 GLN 47 -0.667 6.951 10.066 290 H MET 48 H MET 48 4.252 5.408 6.290 291 HA MET 48 HA MET 48 4.925 8.080 6.669 292 HB2 MET 48 1HB MET 48 6.550 5.561 6.037 293 HB3 MET 48 2HB MET 48 7.322 7.094 6.390 294 HG2 MET 48 1HG MET 48 5.616 6.970 8.519 295 HG3 MET 48 2HG MET 48 5.821 5.254 8.228 296 HE1 MET 48 3HE MET 48 8.719 4.060 8.815 297 HE2 MET 48 1HE MET 48 8.337 4.595 10.469 298 HE3 MET 48 2HE MET 48 7.026 4.122 9.361 299 H SER 49 H SER 49 5.384 5.838 3.857 300 HA SER 49 HA SER 49 6.714 7.748 2.312 301 HB2 SER 49 1HB SER 49 7.026 5.473 1.701 302 HB3 SER 49 2HB SER 49 5.307 5.130 1.720 303 HG SER 49 HG SER 49 6.881 6.038 -0.355 304 H ALA 50 H ALA 50 3.367 7.245 3.167 305 HA ALA 50 HA ALA 50 1.951 8.052 1.002 306 HB1 ALA 50 3HB ALA 50 1.425 9.087 3.806 307 HB2 ALA 50 1HB ALA 50 0.244 8.653 2.547 308 HB3 ALA 50 2HB ALA 50 1.185 7.380 3.361 309 H GLN 51 H GLN 51 2.886 9.563 -0.383 310 HA GLN 51 HA GLN 51 3.367 12.171 0.832 311 HB2 GLN 51 1HB GLN 51 5.357 11.059 -0.233 312 HB3 GLN 51 2HB GLN 51 4.511 11.057 -1.768 313 HG2 GLN 51 1HG GLN 51 4.619 13.403 -1.995 314 HG3 GLN 51 2HG GLN 51 4.775 13.670 -0.270 315 HE21 GLN 51 1HE2 GLN 51 6.420 12.180 -3.041 316 HE22 GLN 51 2HE2 GLN 51 8.044 12.543 -2.561 317 H CYS 52 H CYS 52 0.754 11.798 0.494 318 HA CYS 52 HA CYS 52 0.169 13.031 -2.101 319 HB2 CYS 52 1HB CYS 52 -2.232 12.019 -1.233 320 HB3 CYS 52 2HB CYS 52 -1.188 11.318 -2.454 Start of MODEL 9 1 H1 ASN 1 1H ASN 1 10.087 -6.584 -0.889 2 HA ASN 1 HA ASN 1 10.846 -5.589 1.197 3 HB2 ASN 1 1HB ASN 1 10.719 -3.236 -0.464 4 HB3 ASN 1 2HB ASN 1 9.540 -3.016 0.813 5 HD21 ASN 1 1HD2 ASN 1 12.080 -1.672 0.318 6 HD22 ASN 1 2HD2 ASN 1 13.053 -1.861 1.739 7 HA PRO 2 HA PRO 2 6.142 -4.734 1.190 8 HB2 PRO 2 1HB PRO 2 4.811 -4.495 -1.185 9 HB3 PRO 2 2HB PRO 2 5.390 -3.118 -0.269 10 HG2 PRO 2 1HG PRO 2 6.500 -4.297 -2.742 11 HG3 PRO 2 2HG PRO 2 6.787 -2.710 -2.057 12 HD2 PRO 2 1HD PRO 2 8.556 -4.966 -1.962 13 HD3 PRO 2 2HD PRO 2 8.791 -3.415 -1.179 14 H GLU 3 H GLU 3 7.831 -7.032 -0.352 15 HA GLU 3 HA GLU 3 5.854 -8.750 -1.214 16 HB2 GLU 3 1HB GLU 3 7.602 -10.512 -1.011 17 HB3 GLU 3 2HB GLU 3 8.213 -9.064 -1.785 18 HG2 GLU 3 1HG GLU 3 9.169 -8.308 0.413 19 HG3 GLU 3 2HG GLU 3 8.584 -9.780 1.162 20 H ASP 4 H ASP 4 7.155 -8.055 2.033 21 HA ASP 4 HA ASP 4 5.943 -10.335 3.196 22 HB2 ASP 4 1HB ASP 4 7.945 -8.671 3.968 23 HB3 ASP 4 2HB ASP 4 6.627 -7.902 4.830 24 H TRP 5 H TRP 5 5.129 -6.934 2.514 25 HA TRP 5 HA TRP 5 2.674 -7.175 4.096 26 HB2 TRP 5 1HB TRP 5 3.224 -4.590 2.858 27 HB3 TRP 5 2HB TRP 5 2.794 -4.990 4.509 28 HD1 TRP 5 HD TRP 5 5.244 -6.470 5.648 29 HE1 TRP 5 1HE TRP 5 7.668 -5.450 5.867 30 HE3 TRP 5 3HE TRP 5 4.628 -2.891 2.090 31 HZ2 TRP 5 2HZ TRP 5 9.025 -3.309 4.557 32 HZ3 TRP 5 3HZ TRP 5 6.552 -1.376 1.621 33 HH2 TRP 5 HH TRP 5 8.693 -1.543 2.788 34 H PHE 6 H PHE 6 1.272 -5.148 2.504 35 HA PHE 6 HA PHE 6 -0.124 -5.040 0.803 36 HB2 PHE 6 1HB PHE 6 1.808 -4.631 -0.600 37 HB3 PHE 6 2HB PHE 6 2.394 -6.272 -0.410 38 HD1 PHE 6 2HD PHE 6 -0.525 -4.431 -1.835 39 HD2 PHE 6 1HD PHE 6 2.089 -7.759 -2.151 40 HE1 PHE 6 2HE PHE 6 -1.598 -5.066 -4.013 41 HE2 PHE 6 1HE PHE 6 1.016 -8.394 -4.330 42 HZ PHE 6 HZ PHE 6 -0.814 -7.040 -5.235 43 H THR 7 H THR 7 -1.984 -6.194 0.649 44 HA THR 7 HA THR 7 -1.722 -9.121 0.455 45 HB THR 7 HB THR 7 -3.906 -9.159 1.625 46 HG1 THR 7 1HG THR 7 -4.622 -6.881 2.273 47 HG21 THR 7 3HG2 THR 7 -3.192 -8.476 3.751 48 HG22 THR 7 1HG2 THR 7 -1.621 -8.525 2.915 49 HG23 THR 7 2HG2 THR 7 -2.466 -6.973 3.132 50 HA PRO 8 HA PRO 8 -3.339 -8.232 -3.538 51 HB2 PRO 8 1HB PRO 8 -2.364 -10.476 -4.757 52 HB3 PRO 8 2HB PRO 8 -1.469 -8.972 -4.660 53 HG2 PRO 8 1HG PRO 8 -1.072 -11.468 -3.125 54 HG3 PRO 8 2HG PRO 8 0.039 -10.133 -3.357 55 HD2 PRO 8 1HD PRO 8 -1.507 -10.691 -1.006 56 HD3 PRO 8 2HD PRO 8 -0.485 -9.294 -1.281 57 H ASP 9 H ASP 9 -4.197 -10.260 -1.165 58 HA ASP 9 HA ASP 9 -5.997 -11.796 -2.790 59 HB2 ASP 9 1HB ASP 9 -5.531 -11.651 0.224 60 HB3 ASP 9 2HB ASP 9 -6.701 -12.725 -0.517 61 H THR 10 H THR 10 -5.853 -8.744 -1.205 62 HA THR 10 HA THR 10 -8.762 -8.475 -1.394 63 HB THR 10 HB THR 10 -8.319 -8.981 0.975 64 HG1 THR 10 1HG THR 10 -8.438 -6.089 0.498 65 HG21 THR 10 3HG2 THR 10 -6.187 -6.830 0.628 66 HG22 THR 10 1HG2 THR 10 -6.921 -7.144 2.218 67 HG23 THR 10 2HG2 THR 10 -6.021 -8.433 1.384 68 H CYS 11 H CYS 11 -7.009 -7.715 -3.384 69 HA CYS 11 HA CYS 11 -7.462 -4.886 -3.320 70 HB2 CYS 11 1HB CYS 11 -4.988 -5.711 -2.424 71 HB3 CYS 11 2HB CYS 11 -4.690 -5.404 -4.123 72 H ALA 12 H ALA 12 -7.442 -4.020 -5.516 73 HA ALA 12 HA ALA 12 -8.155 -5.911 -7.467 74 HB1 ALA 12 3HB ALA 12 -7.827 -2.965 -7.226 75 HB2 ALA 12 1HB ALA 12 -7.673 -3.624 -8.872 76 HB3 ALA 12 2HB ALA 12 -9.156 -3.916 -7.932 77 H TYR 13 H TYR 13 -5.105 -4.301 -6.563 78 HA TYR 13 HA TYR 13 -3.793 -5.294 -8.954 79 HB2 TYR 13 1HB TYR 13 -2.709 -3.920 -6.422 80 HB3 TYR 13 2HB TYR 13 -1.925 -3.957 -7.989 81 HD1 TYR 13 2HD TYR 13 -3.936 -3.145 -9.889 82 HD2 TYR 13 1HD TYR 13 -3.308 -1.743 -5.896 83 HE1 TYR 13 2HE TYR 13 -5.037 -0.933 -10.485 84 HE2 TYR 13 1HE TYR 13 -4.411 0.465 -6.506 85 HH TYR 13 HH TYR 13 -4.778 1.533 -9.484 86 H GLY 14 H GLY 14 -2.529 -7.105 -9.063 87 HA2 GLY 14 1HA GLY 14 -2.342 -8.723 -6.624 88 HA3 GLY 14 2HA GLY 14 -2.143 -9.269 -8.277 89 H ASP 15 H ASP 15 -0.571 -6.246 -7.772 90 HA ASP 15 HA ASP 15 1.937 -7.674 -7.348 91 HB2 ASP 15 1HB ASP 15 1.736 -4.982 -8.731 92 HB3 ASP 15 2HB ASP 15 3.028 -6.162 -8.836 93 H SER 16 H SER 16 3.404 -6.707 -5.814 94 HA SER 16 HA SER 16 2.152 -4.904 -4.007 95 HB2 SER 16 1HB SER 16 4.717 -5.130 -3.081 96 HB3 SER 16 2HB SER 16 3.440 -6.273 -2.716 97 HG SER 16 HG SER 16 5.193 -6.529 -5.006 98 H ASN 17 H ASN 17 4.601 -4.810 -6.590 99 HA ASN 17 HA ASN 17 5.785 -2.409 -5.882 100 HB2 ASN 17 1HB ASN 17 6.190 -4.292 -7.848 101 HB3 ASN 17 2HB ASN 17 5.452 -3.022 -8.804 102 HD21 ASN 17 1HD2 ASN 17 7.505 -2.920 -9.870 103 HD22 ASN 17 2HD2 ASN 17 8.806 -1.987 -9.209 104 H THR 18 H THR 18 3.313 -3.163 -8.467 105 HA THR 18 HA THR 18 2.713 -0.479 -9.027 106 HB THR 18 HB THR 18 2.271 -2.806 -10.280 107 HG1 THR 18 1HG THR 18 1.042 -1.418 -11.574 108 HG21 THR 18 3HG2 THR 18 0.074 -3.669 -10.058 109 HG22 THR 18 1HG2 THR 18 0.519 -3.372 -8.360 110 HG23 THR 18 2HG2 THR 18 -0.514 -2.209 -9.226 111 H ALA 19 H ALA 19 1.598 -2.697 -6.501 112 HA ALA 19 HA ALA 19 -0.740 -1.276 -5.847 113 HB1 ALA 19 3HB ALA 19 -0.330 -2.519 -3.603 114 HB2 ALA 19 1HB ALA 19 -0.584 -3.496 -5.069 115 HB3 ALA 19 2HB ALA 19 1.062 -3.256 -4.433 116 H TRP 20 H TRP 20 2.494 -1.380 -4.176 117 HA TRP 20 HA TRP 20 1.985 0.696 -2.434 118 HB2 TRP 20 1HB TRP 20 3.838 -0.775 -2.117 119 HB3 TRP 20 2HB TRP 20 4.558 -0.312 -3.646 120 HD1 TRP 20 HD TRP 20 5.175 2.566 -3.674 121 HE1 TRP 20 1HE TRP 20 6.432 3.992 -1.843 122 HE3 TRP 20 3HE TRP 20 4.313 -0.645 0.173 123 HZ2 TRP 20 2HZ TRP 20 6.914 3.624 0.945 124 HZ3 TRP 20 3HZ TRP 20 5.211 -0.037 2.417 125 HH2 TRP 20 HH TRP 20 6.473 2.014 2.836 126 H THR 21 H THR 21 3.397 0.693 -5.773 127 HA THR 21 HA THR 21 3.955 3.405 -5.937 128 HB THR 21 HB THR 21 3.434 1.109 -7.819 129 HG1 THR 21 1HG THR 21 5.631 1.474 -7.935 130 HG21 THR 21 3HG2 THR 21 2.577 2.530 -9.425 131 HG22 THR 21 1HG2 THR 21 3.030 3.984 -8.504 132 HG23 THR 21 2HG2 THR 21 4.243 3.153 -9.507 133 H THR 22 H THR 22 1.016 1.750 -7.287 134 HA THR 22 HA THR 22 -0.331 4.102 -7.876 135 HB THR 22 HB THR 22 -1.224 1.254 -7.211 136 HG1 THR 22 1HG THR 22 -1.126 2.898 -9.637 137 HG21 THR 22 3HG2 THR 22 -2.878 3.285 -8.753 138 HG22 THR 22 1HG2 THR 22 -3.403 1.752 -8.016 139 HG23 THR 22 2HG2 THR 22 -3.054 3.162 -6.986 140 H CYS 23 H CYS 23 0.371 2.660 -4.783 141 HA CYS 23 HA CYS 23 -1.834 3.958 -3.485 142 HB2 CYS 23 1HB CYS 23 0.207 1.993 -2.790 143 HB3 CYS 23 2HB CYS 23 -0.017 3.187 -1.527 144 H THR 24 H THR 24 1.733 4.339 -3.912 145 HA THR 24 HA THR 24 1.734 6.772 -2.337 146 HB THR 24 HB THR 24 4.220 6.651 -3.048 147 HG1 THR 24 1HG THR 24 4.022 5.349 -4.921 148 HG21 THR 24 3HG2 THR 24 3.024 5.356 -0.991 149 HG22 THR 24 1HG2 THR 24 3.462 3.936 -1.971 150 HG23 THR 24 2HG2 THR 24 4.727 5.056 -1.411 151 H THR 25 H THR 25 -0.010 7.676 -3.842 152 HA THR 25 HA THR 25 1.378 9.370 -5.743 153 HB THR 25 HB THR 25 -0.545 8.738 -7.434 154 HG1 THR 25 1HG THR 25 -1.498 6.735 -6.906 155 HG21 THR 25 3HG2 THR 25 1.839 8.073 -7.841 156 HG22 THR 25 1HG2 THR 25 1.620 6.675 -6.762 157 HG23 THR 25 2HG2 THR 25 0.719 6.767 -8.295 158 HA PRO 26 HA PRO 26 -1.504 12.214 -4.330 159 HB2 PRO 26 1HB PRO 26 -1.683 13.980 -6.409 160 HB3 PRO 26 2HB PRO 26 -0.355 13.976 -5.265 161 HG2 PRO 26 1HG PRO 26 -0.396 13.013 -8.060 162 HG3 PRO 26 2HG PRO 26 0.984 13.411 -7.056 163 HD2 PRO 26 1HD PRO 26 0.035 10.784 -7.706 164 HD3 PRO 26 2HD PRO 26 1.343 11.184 -6.611 165 H GLY 27 H GLY 27 -3.591 12.017 -3.848 166 HA2 GLY 27 1HA GLY 27 -5.537 12.167 -5.915 167 HA3 GLY 27 2HA GLY 27 -5.310 10.506 -5.401 168 H GLN 28 H GLN 28 -7.620 10.727 -4.665 169 HA GLN 28 HA GLN 28 -7.931 12.376 -2.322 170 HB2 GLN 28 1HB GLN 28 -9.763 10.932 -4.206 171 HB3 GLN 28 2HB GLN 28 -10.333 11.138 -2.562 172 HG2 GLN 28 1HG GLN 28 -10.904 13.274 -3.053 173 HG3 GLN 28 2HG GLN 28 -9.210 13.651 -3.297 174 HE21 GLN 28 1HE2 GLN 28 -9.709 15.119 -4.914 175 HE22 GLN 28 2HE2 GLN 28 -10.171 14.643 -6.514 176 H THR 29 H THR 29 -7.853 8.924 -3.329 177 HA THR 29 HA THR 29 -7.909 8.188 -0.476 178 HB THR 29 HB THR 29 -8.696 5.960 -1.383 179 HG1 THR 29 1HG THR 29 -9.299 6.166 -3.745 180 HG21 THR 29 3HG2 THR 29 -10.733 7.300 -2.795 181 HG22 THR 29 1HG2 THR 29 -10.757 6.912 -1.058 182 HG23 THR 29 2HG2 THR 29 -10.178 8.503 -1.605 183 H CYS 30 H CYS 30 -5.538 9.270 -1.401 184 HA CYS 30 HA CYS 30 -3.839 7.291 -2.464 185 HB2 CYS 30 1HB CYS 30 -3.107 9.444 -2.848 186 HB3 CYS 30 2HB CYS 30 -3.471 9.987 -1.222 187 H TYR 31 H TYR 31 -4.233 8.738 0.858 188 HA TYR 31 HA TYR 31 -2.538 6.798 2.058 189 HB2 TYR 31 1HB TYR 31 -2.961 9.122 2.917 190 HB3 TYR 31 2HB TYR 31 -4.678 8.790 3.032 191 HD1 TYR 31 1HD TYR 31 -5.567 7.355 4.834 192 HD2 TYR 31 2HD TYR 31 -1.407 8.328 4.610 193 HE1 TYR 31 1HE TYR 31 -5.253 6.597 7.241 194 HE2 TYR 31 2HE TYR 31 -1.107 7.567 7.017 195 HH TYR 31 HH TYR 31 -2.303 7.203 8.950 196 H THR 32 H THR 32 -5.948 6.939 1.187 197 HA THR 32 HA THR 32 -6.836 5.036 3.111 198 HB THR 32 HB THR 32 -7.940 6.201 0.510 199 HG1 THR 32 1HG THR 32 -8.474 6.342 3.395 200 HG21 THR 32 3HG2 THR 32 -9.001 4.023 2.309 201 HG22 THR 32 1HG2 THR 32 -10.142 5.287 1.791 202 HG23 THR 32 2HG2 THR 32 -9.300 4.297 0.576 203 H CYS 33 H CYS 33 -5.425 4.861 -0.158 204 HA CYS 33 HA CYS 33 -6.105 2.125 -0.486 205 HB2 CYS 33 1HB CYS 33 -5.808 3.077 -2.522 206 HB3 CYS 33 2HB CYS 33 -4.550 4.165 -1.970 207 H CYS 34 H CYS 34 -3.644 3.983 1.187 208 HA CYS 34 HA CYS 34 -1.607 2.045 1.149 209 HB2 CYS 34 1HB CYS 34 -2.182 4.427 2.901 210 HB3 CYS 34 2HB CYS 34 -0.829 3.360 3.220 211 H SER 35 H SER 35 -4.728 2.067 2.490 212 HA SER 35 HA SER 35 -3.877 0.236 4.595 213 HB2 SER 35 1HB SER 35 -4.956 2.159 5.590 214 HB3 SER 35 2HB SER 35 -6.272 2.107 4.434 215 HG SER 35 HG SER 35 -6.716 1.185 6.627 216 H SER 36 H SER 36 -4.987 0.302 1.496 217 HA SER 36 HA SER 36 -6.924 -1.823 1.937 218 HB2 SER 36 1HB SER 36 -7.661 0.140 0.573 219 HB3 SER 36 2HB SER 36 -6.370 -0.174 -0.570 220 HG SER 36 HG SER 36 -8.047 -2.381 -0.004 221 H CYS 37 H CYS 37 -4.020 -0.865 -0.008 222 HA CYS 37 HA CYS 37 -3.718 -3.620 -0.858 223 HB2 CYS 37 1HB CYS 37 -2.749 -0.992 -1.787 224 HB3 CYS 37 2HB CYS 37 -1.582 -2.293 -1.910 225 H PHE 38 H PHE 38 -3.464 -2.838 2.001 226 HA PHE 38 HA PHE 38 -0.892 -4.017 2.456 227 HB2 PHE 38 1HB PHE 38 -1.657 -1.150 3.255 228 HB3 PHE 38 2HB PHE 38 -0.362 -2.012 4.062 229 HD1 PHE 38 2HD PHE 38 1.080 -3.329 1.941 230 HD2 PHE 38 1HD PHE 38 -0.735 0.507 1.945 231 HE1 PHE 38 2HE PHE 38 2.690 -2.566 0.174 232 HE2 PHE 38 1HE PHE 38 0.876 1.270 0.177 233 HZ PHE 38 HZ PHE 38 2.569 -0.275 -0.687 234 H ASP 39 H ASP 39 -0.531 -4.244 4.947 235 HA ASP 39 HA ASP 39 -3.163 -4.733 6.096 236 HB2 ASP 39 1HB ASP 39 -1.899 -6.795 5.799 237 HB3 ASP 39 2HB ASP 39 -0.464 -6.087 6.513 238 H VAL 40 H VAL 40 -0.295 -5.141 8.078 239 HA VAL 40 HA VAL 40 -1.040 -2.776 9.606 240 HB VAL 40 HB VAL 40 -0.869 -5.014 10.665 241 HG11 VAL 40 1HG1 VAL 40 2.122 -4.742 10.232 242 HG12 VAL 40 2HG1 VAL 40 1.256 -6.083 11.019 243 HG13 VAL 40 3HG1 VAL 40 1.065 -5.803 9.271 244 HG21 VAL 40 3HG2 VAL 40 0.208 -4.251 12.658 245 HG22 VAL 40 1HG2 VAL 40 1.214 -3.097 11.750 246 HG23 VAL 40 2HG2 VAL 40 -0.540 -2.830 11.891 247 H VAL 41 H VAL 41 1.928 -4.387 8.260 248 HA VAL 41 HA VAL 41 3.515 -2.074 8.709 249 HB VAL 41 HB VAL 41 3.973 -4.518 6.986 250 HG11 VAL 41 1HG1 VAL 41 5.434 -2.587 6.423 251 HG12 VAL 41 2HG1 VAL 41 5.992 -2.549 8.114 252 HG13 VAL 41 3HG1 VAL 41 6.334 -3.969 7.095 253 HG21 VAL 41 3HG2 VAL 41 4.177 -4.018 9.908 254 HG22 VAL 41 1HG2 VAL 41 3.872 -5.528 9.017 255 HG23 VAL 41 2HG2 VAL 41 5.531 -4.900 9.161 256 H GLY 42 H GLY 42 2.232 -3.672 5.703 257 HA2 GLY 42 1HA GLY 42 3.035 -1.973 3.784 258 HA3 GLY 42 2HA GLY 42 1.450 -2.720 3.802 259 H GLU 43 H GLU 43 0.587 -1.318 6.315 260 HA GLU 43 HA GLU 43 -0.269 1.067 5.007 261 HB2 GLU 43 1HB GLU 43 -1.569 -0.569 6.654 262 HB3 GLU 43 2HB GLU 43 -0.868 0.443 7.901 263 HG2 GLU 43 1HG GLU 43 -2.089 1.936 5.623 264 HG3 GLU 43 2HG GLU 43 -3.224 1.005 6.580 265 H GLN 44 H GLN 44 1.503 0.257 8.078 266 HA GLN 44 HA GLN 44 2.063 2.910 8.686 267 HB2 GLN 44 1HB GLN 44 3.364 2.049 10.456 268 HB3 GLN 44 2HB GLN 44 2.178 0.789 10.180 269 HG2 GLN 44 1HG GLN 44 3.953 -0.628 10.009 270 HG3 GLN 44 2HG GLN 44 4.190 0.054 8.412 271 HE21 GLN 44 1HE2 GLN 44 6.248 -1.019 9.900 272 HE22 GLN 44 2HE2 GLN 44 7.373 0.215 10.357 273 H ALA 45 H ALA 45 3.371 0.746 6.304 274 HA ALA 45 HA ALA 45 5.921 2.105 6.168 275 HB1 ALA 45 3HB ALA 45 4.710 -0.005 4.339 276 HB2 ALA 45 1HB ALA 45 6.424 0.464 4.455 277 HB3 ALA 45 2HB ALA 45 5.635 -0.370 5.816 278 H CYS 46 H CYS 46 2.851 1.792 4.286 279 HA CYS 46 HA CYS 46 3.773 3.585 2.278 280 HB2 CYS 46 1HB CYS 46 2.164 1.795 1.807 281 HB3 CYS 46 2HB CYS 46 0.994 2.546 2.874 282 H GLN 47 H GLN 47 2.348 3.787 5.467 283 HA GLN 47 HA GLN 47 0.964 6.179 5.165 284 HB2 GLN 47 1HB GLN 47 1.962 4.501 7.417 285 HB3 GLN 47 2HB GLN 47 1.713 6.190 7.811 286 HG2 GLN 47 1HG GLN 47 -0.594 5.746 6.444 287 HG3 GLN 47 2HG GLN 47 -0.297 4.110 6.997 288 HE21 GLN 47 1HE2 GLN 47 0.265 7.341 8.392 289 HE22 GLN 47 2HE2 GLN 47 -0.588 7.090 9.878 290 H MET 48 H MET 48 4.349 5.433 6.211 291 HA MET 48 HA MET 48 4.978 8.130 6.674 292 HB2 MET 48 1HB MET 48 6.414 5.487 6.481 293 HB3 MET 48 2HB MET 48 7.410 6.912 6.261 294 HG2 MET 48 1HG MET 48 5.652 7.368 8.522 295 HG3 MET 48 2HG MET 48 6.425 5.809 8.728 296 HE1 MET 48 3HE MET 48 8.247 9.044 10.554 297 HE2 MET 48 1HE MET 48 6.541 8.752 10.138 298 HE3 MET 48 2HE MET 48 7.473 7.506 11.003 299 H SER 49 H SER 49 5.361 5.889 3.882 300 HA SER 49 HA SER 49 6.888 7.740 2.401 301 HB2 SER 49 1HB SER 49 7.010 5.296 2.020 302 HB3 SER 49 2HB SER 49 5.329 5.268 1.526 303 HG SER 49 HG SER 49 5.869 6.622 -0.290 304 H ALA 50 H ALA 50 3.437 7.046 2.877 305 HA ALA 50 HA ALA 50 2.274 8.038 0.643 306 HB1 ALA 50 3HB ALA 50 0.864 7.146 2.296 307 HB2 ALA 50 1HB ALA 50 1.565 8.160 3.580 308 HB3 ALA 50 2HB ALA 50 0.495 8.887 2.357 309 H GLN 51 H GLN 51 2.978 9.796 -0.494 310 HA GLN 51 HA GLN 51 3.569 12.178 1.067 311 HB2 GLN 51 1HB GLN 51 4.920 10.926 -1.084 312 HB3 GLN 51 2HB GLN 51 4.212 12.371 -1.779 313 HG2 GLN 51 1HG GLN 51 5.190 13.694 0.176 314 HG3 GLN 51 2HG GLN 51 6.025 12.237 0.674 315 HE21 GLN 51 1HE2 GLN 51 7.032 14.834 -0.245 316 HE22 GLN 51 2HE2 GLN 51 8.079 14.528 -1.591 317 H CYS 52 H CYS 52 0.923 11.834 1.077 318 HA CYS 52 HA CYS 52 -0.011 13.603 -1.064 319 HB2 CYS 52 1HB CYS 52 -2.288 12.359 -0.416 320 HB3 CYS 52 2HB CYS 52 -1.228 11.838 -1.711 Start of MODEL 10 1 H1 ASN 1 1H ASN 1 11.269 -5.468 1.247 2 HA ASN 1 HA ASN 1 9.865 -3.960 -0.757 3 HB2 ASN 1 1HB ASN 1 10.954 -6.718 -0.463 4 HB3 ASN 1 2HB ASN 1 9.416 -6.663 -1.300 5 HD21 ASN 1 1HD2 ASN 1 9.460 -6.350 -3.386 6 HD22 ASN 1 2HD2 ASN 1 10.722 -5.607 -4.312 7 HA PRO 2 HA PRO 2 5.972 -4.845 1.062 8 HB2 PRO 2 1HB PRO 2 4.298 -4.640 -1.088 9 HB3 PRO 2 2HB PRO 2 4.913 -3.250 -0.217 10 HG2 PRO 2 1HG PRO 2 5.727 -4.287 -2.863 11 HG3 PRO 2 2HG PRO 2 6.007 -2.701 -2.172 12 HD2 PRO 2 1HD PRO 2 7.913 -4.831 -2.409 13 HD3 PRO 2 2HD PRO 2 8.158 -3.288 -1.615 14 H GLU 3 H GLU 3 7.561 -6.980 -0.795 15 HA GLU 3 HA GLU 3 5.622 -8.808 -1.449 16 HB2 GLU 3 1HB GLU 3 7.449 -10.425 -1.603 17 HB3 GLU 3 2HB GLU 3 7.994 -8.876 -2.215 18 HG2 GLU 3 1HG GLU 3 8.989 -8.394 0.078 19 HG3 GLU 3 2HG GLU 3 8.561 -10.023 0.558 20 H ASP 4 H ASP 4 7.126 -8.020 1.665 21 HA ASP 4 HA ASP 4 6.179 -10.421 2.881 22 HB2 ASP 4 1HB ASP 4 7.046 -7.979 4.438 23 HB3 ASP 4 2HB ASP 4 7.298 -9.670 4.824 24 H TRP 5 H TRP 5 5.070 -7.168 2.175 25 HA TRP 5 HA TRP 5 2.818 -7.529 4.034 26 HB2 TRP 5 1HB TRP 5 3.256 -4.810 3.085 27 HB3 TRP 5 2HB TRP 5 2.959 -5.413 4.703 28 HD1 TRP 5 HD TRP 5 5.464 -6.875 5.589 29 HE1 TRP 5 1HE TRP 5 7.899 -5.865 5.707 30 HE3 TRP 5 3HE TRP 5 4.634 -3.120 2.263 31 HZ2 TRP 5 2HZ TRP 5 9.176 -3.659 4.424 32 HZ3 TRP 5 3HZ TRP 5 6.528 -1.582 1.751 33 HH2 TRP 5 HH TRP 5 8.738 -1.805 2.771 34 H PHE 6 H PHE 6 1.443 -5.229 2.677 35 HA PHE 6 HA PHE 6 -0.015 -4.907 1.056 36 HB2 PHE 6 1HB PHE 6 1.904 -4.607 -0.413 37 HB3 PHE 6 2HB PHE 6 2.295 -6.314 -0.374 38 HD1 PHE 6 2HD PHE 6 -0.636 -4.199 -1.346 39 HD2 PHE 6 1HD PHE 6 1.899 -7.459 -2.324 40 HE1 PHE 6 2HE PHE 6 -1.897 -4.536 -3.490 41 HE2 PHE 6 1HE PHE 6 0.638 -7.797 -4.467 42 HZ PHE 6 HZ PHE 6 -1.245 -6.331 -5.025 43 H THR 7 H THR 7 -1.976 -5.869 0.806 44 HA THR 7 HA THR 7 -1.982 -8.803 0.533 45 HB THR 7 HB THR 7 -4.205 -8.625 1.715 46 HG1 THR 7 1HG THR 7 -4.223 -6.241 0.864 47 HG21 THR 7 3HG2 THR 7 -1.796 -8.569 2.957 48 HG22 THR 7 1HG2 THR 7 -2.365 -6.946 3.414 49 HG23 THR 7 2HG2 THR 7 -3.316 -8.382 3.864 50 HA PRO 8 HA PRO 8 -3.641 -7.521 -3.353 51 HB2 PRO 8 1HB PRO 8 -2.739 -9.667 -4.784 52 HB3 PRO 8 2HB PRO 8 -1.819 -8.188 -4.593 53 HG2 PRO 8 1HG PRO 8 -1.411 -10.807 -3.284 54 HG3 PRO 8 2HG PRO 8 -0.288 -9.471 -3.440 55 HD2 PRO 8 1HD PRO 8 -1.767 -10.204 -1.094 56 HD3 PRO 8 2HD PRO 8 -0.734 -8.801 -1.286 57 H ASP 9 H ASP 9 -4.441 -9.749 -1.136 58 HA ASP 9 HA ASP 9 -6.330 -11.099 -2.827 59 HB2 ASP 9 1HB ASP 9 -4.949 -11.759 -0.480 60 HB3 ASP 9 2HB ASP 9 -6.576 -11.465 0.101 61 H THR 10 H THR 10 -6.102 -8.141 -1.214 62 HA THR 10 HA THR 10 -8.998 -7.855 -1.157 63 HB THR 10 HB THR 10 -8.403 -8.584 1.145 64 HG1 THR 10 1HG THR 10 -9.746 -6.931 1.769 65 HG21 THR 10 3HG2 THR 10 -7.021 -6.175 1.986 66 HG22 THR 10 1HG2 THR 10 -6.500 -7.866 2.181 67 HG23 THR 10 2HG2 THR 10 -6.066 -6.965 0.708 68 H CYS 11 H CYS 11 -7.311 -6.951 -3.145 69 HA CYS 11 HA CYS 11 -7.768 -4.151 -2.884 70 HB2 CYS 11 1HB CYS 11 -5.349 -4.893 -1.910 71 HB3 CYS 11 2HB CYS 11 -4.941 -4.663 -3.598 72 H ALA 12 H ALA 12 -7.154 -3.067 -5.068 73 HA ALA 12 HA ALA 12 -7.716 -5.007 -7.176 74 HB1 ALA 12 3HB ALA 12 -8.861 -3.321 -8.207 75 HB2 ALA 12 1HB ALA 12 -8.903 -2.639 -6.564 76 HB3 ALA 12 2HB ALA 12 -7.677 -2.081 -7.728 77 H TYR 13 H TYR 13 -5.191 -5.431 -6.339 78 HA TYR 13 HA TYR 13 -3.643 -4.330 -8.547 79 HB2 TYR 13 1HB TYR 13 -2.776 -4.434 -5.592 80 HB3 TYR 13 2HB TYR 13 -1.814 -3.788 -6.907 81 HD1 TYR 13 2HD TYR 13 -4.974 -3.237 -5.000 82 HD2 TYR 13 1HD TYR 13 -1.979 -1.513 -7.523 83 HE1 TYR 13 2HE TYR 13 -5.944 -0.924 -4.584 84 HE2 TYR 13 1HE TYR 13 -2.960 0.794 -7.098 85 HH TYR 13 HH TYR 13 -5.871 1.175 -5.101 86 H GLY 14 H GLY 14 -2.156 -5.784 -9.390 87 HA2 GLY 14 1HA GLY 14 -2.276 -8.483 -8.255 88 HA3 GLY 14 2HA GLY 14 -1.754 -8.029 -9.865 89 H ASP 15 H ASP 15 0.002 -5.807 -9.042 90 HA ASP 15 HA ASP 15 2.172 -7.464 -8.086 91 HB2 ASP 15 1HB ASP 15 2.226 -4.648 -9.267 92 HB3 ASP 15 2HB ASP 15 3.629 -5.647 -8.945 93 H SER 16 H SER 16 3.604 -6.614 -6.346 94 HA SER 16 HA SER 16 2.093 -5.099 -4.446 95 HB2 SER 16 1HB SER 16 3.987 -5.633 -2.911 96 HB3 SER 16 2HB SER 16 3.316 -7.065 -3.667 97 HG SER 16 HG SER 16 5.779 -5.702 -4.302 98 H ASN 17 H ASN 17 5.018 -4.779 -6.505 99 HA ASN 17 HA ASN 17 5.972 -2.455 -5.333 100 HB2 ASN 17 1HB ASN 17 7.178 -3.994 -6.999 101 HB3 ASN 17 2HB ASN 17 6.215 -3.275 -8.274 102 HD21 ASN 17 1HD2 ASN 17 8.817 -2.877 -6.039 103 HD22 ASN 17 2HD2 ASN 17 9.427 -1.359 -6.609 104 H THR 18 H THR 18 3.655 -3.153 -8.015 105 HA THR 18 HA THR 18 3.342 -0.418 -8.769 106 HB THR 18 HB THR 18 2.920 -2.784 -10.009 107 HG1 THR 18 1HG THR 18 2.460 -1.125 -11.397 108 HG21 THR 18 3HG2 THR 18 0.614 -3.397 -10.111 109 HG22 THR 18 1HG2 THR 18 0.901 -3.182 -8.368 110 HG23 THR 18 2HG2 THR 18 0.094 -1.899 -9.301 111 H ALA 19 H ALA 19 1.626 -2.682 -6.576 112 HA ALA 19 HA ALA 19 -0.610 -1.104 -6.127 113 HB1 ALA 19 3HB ALA 19 -0.372 -3.464 -5.448 114 HB2 ALA 19 1HB ALA 19 0.859 -3.000 -4.250 115 HB3 ALA 19 2HB ALA 19 -0.821 -2.443 -4.061 116 H TRP 20 H TRP 20 2.466 -1.327 -4.194 117 HA TRP 20 HA TRP 20 1.839 0.704 -2.422 118 HB2 TRP 20 1HB TRP 20 3.623 -0.810 -1.975 119 HB3 TRP 20 2HB TRP 20 4.478 -0.350 -3.434 120 HD1 TRP 20 HD TRP 20 5.045 2.583 -3.341 121 HE1 TRP 20 1HE TRP 20 6.238 3.920 -1.403 122 HE3 TRP 20 3HE TRP 20 4.094 -0.827 0.309 123 HZ2 TRP 20 2HZ TRP 20 6.641 3.413 1.376 124 HZ3 TRP 20 3HZ TRP 20 4.922 -0.329 2.608 125 HH2 TRP 20 HH TRP 20 6.155 1.705 3.168 126 H THR 21 H THR 21 3.492 0.746 -5.643 127 HA THR 21 HA THR 21 4.122 3.460 -5.671 128 HB THR 21 HB THR 21 3.842 1.186 -7.603 129 HG1 THR 21 1HG THR 21 5.821 1.939 -6.481 130 HG21 THR 21 3HG2 THR 21 2.906 2.605 -9.203 131 HG22 THR 21 1HG2 THR 21 3.437 4.076 -8.353 132 HG23 THR 21 2HG2 THR 21 4.597 3.144 -9.330 133 H THR 22 H THR 22 1.265 1.824 -7.207 134 HA THR 22 HA THR 22 0.011 4.193 -7.953 135 HB THR 22 HB THR 22 -1.067 1.410 -7.260 136 HG1 THR 22 1HG THR 22 -0.963 1.492 -9.736 137 HG21 THR 22 3HG2 THR 22 -2.907 2.046 -8.868 138 HG22 THR 22 1HG2 THR 22 -2.957 3.011 -7.373 139 HG23 THR 22 2HG2 THR 22 -2.291 3.717 -8.865 140 H CYS 23 H CYS 23 0.499 2.831 -4.797 141 HA CYS 23 HA CYS 23 -1.789 4.178 -3.687 142 HB2 CYS 23 1HB CYS 23 0.011 2.091 -2.872 143 HB3 CYS 23 2HB CYS 23 -0.011 3.343 -1.645 144 H THR 24 H THR 24 1.782 4.507 -3.970 145 HA THR 24 HA THR 24 1.781 6.909 -2.346 146 HB THR 24 HB THR 24 4.275 6.769 -2.965 147 HG1 THR 24 1HG THR 24 4.730 5.220 -4.496 148 HG21 THR 24 3HG2 THR 24 2.969 5.351 -1.040 149 HG22 THR 24 1HG2 THR 24 3.501 4.001 -2.072 150 HG23 THR 24 2HG2 THR 24 4.702 5.117 -1.376 151 H THR 25 H THR 25 -0.018 7.310 -4.366 152 HA THR 25 HA THR 25 1.422 9.308 -5.954 153 HB THR 25 HB THR 25 -0.127 8.544 -7.895 154 HG1 THR 25 1HG THR 25 -1.387 6.816 -7.318 155 HG21 THR 25 3HG2 THR 25 1.793 7.537 -8.617 156 HG22 THR 25 1HG2 THR 25 2.367 7.370 -6.940 157 HG23 THR 25 2HG2 THR 25 1.346 6.102 -7.662 158 HA PRO 26 HA PRO 26 -1.875 11.844 -4.909 159 HB2 PRO 26 1HB PRO 26 -2.034 13.563 -7.028 160 HB3 PRO 26 2HB PRO 26 -0.831 13.711 -5.762 161 HG2 PRO 26 1HG PRO 26 -0.498 12.726 -8.529 162 HG3 PRO 26 2HG PRO 26 0.728 13.277 -7.405 163 HD2 PRO 26 1HD PRO 26 0.129 10.558 -8.094 164 HD3 PRO 26 2HD PRO 26 1.274 11.105 -6.886 165 H GLY 27 H GLY 27 -3.931 11.298 -4.604 166 HA2 GLY 27 1HA GLY 27 -5.628 11.159 -6.938 167 HA3 GLY 27 2HA GLY 27 -5.358 9.614 -6.157 168 H GLN 28 H GLN 28 -7.337 9.225 -5.174 169 HA GLN 28 HA GLN 28 -8.314 11.360 -3.450 170 HB2 GLN 28 1HB GLN 28 -10.517 10.220 -3.588 171 HB3 GLN 28 2HB GLN 28 -9.919 10.668 -5.173 172 HG2 GLN 28 1HG GLN 28 -8.878 8.057 -4.632 173 HG3 GLN 28 2HG GLN 28 -10.563 8.023 -4.151 174 HE21 GLN 28 1HE2 GLN 28 -10.817 6.539 -5.911 175 HE22 GLN 28 2HE2 GLN 28 -11.049 7.110 -7.530 176 H THR 29 H THR 29 -7.200 7.993 -3.632 177 HA THR 29 HA THR 29 -7.377 7.872 -0.697 178 HB THR 29 HB THR 29 -7.858 5.395 -1.043 179 HG1 THR 29 1HG THR 29 -8.207 4.782 -3.230 180 HG21 THR 29 3HG2 THR 29 -10.183 5.789 -2.218 181 HG22 THR 29 1HG2 THR 29 -9.891 6.583 -0.652 182 HG23 THR 29 2HG2 THR 29 -9.738 7.512 -2.163 183 H CYS 30 H CYS 30 -5.162 8.992 -1.579 184 HA CYS 30 HA CYS 30 -3.210 7.154 -2.447 185 HB2 CYS 30 1HB CYS 30 -2.956 9.490 -2.918 186 HB3 CYS 30 2HB CYS 30 -3.016 9.905 -1.217 187 H TYR 31 H TYR 31 -4.514 8.260 0.685 188 HA TYR 31 HA TYR 31 -2.514 6.603 2.060 189 HB2 TYR 31 1HB TYR 31 -2.698 9.047 2.665 190 HB3 TYR 31 2HB TYR 31 -4.427 8.872 2.895 191 HD1 TYR 31 2HD TYR 31 -5.312 7.629 4.862 192 HD2 TYR 31 1HD TYR 31 -1.128 8.377 4.374 193 HE1 TYR 31 2HE TYR 31 -4.923 7.095 7.316 194 HE2 TYR 31 1HE TYR 31 -0.753 7.840 6.830 195 HH TYR 31 HH TYR 31 -1.654 6.956 8.635 196 H THR 32 H THR 32 -5.868 6.888 1.139 197 HA THR 32 HA THR 32 -6.830 5.229 3.300 198 HB THR 32 HB THR 32 -8.020 6.524 0.804 199 HG1 THR 32 1HG THR 32 -8.514 7.976 2.410 200 HG21 THR 32 3HG2 THR 32 -9.735 5.005 0.922 201 HG22 THR 32 1HG2 THR 32 -9.076 4.279 2.407 202 HG23 THR 32 2HG2 THR 32 -10.112 5.722 2.507 203 H CYS 33 H CYS 33 -5.477 4.817 0.085 204 HA CYS 33 HA CYS 33 -6.634 2.267 -0.348 205 HB2 CYS 33 1HB CYS 33 -5.174 2.106 -2.233 206 HB3 CYS 33 2HB CYS 33 -5.852 3.721 -2.170 207 H CYS 34 H CYS 34 -3.549 3.577 0.994 208 HA CYS 34 HA CYS 34 -2.206 1.173 1.236 209 HB2 CYS 34 1HB CYS 34 -2.030 3.679 2.920 210 HB3 CYS 34 2HB CYS 34 -0.903 2.341 3.020 211 H SER 35 H SER 35 -5.039 2.408 2.818 212 HA SER 35 HA SER 35 -4.631 0.814 5.174 213 HB2 SER 35 1HB SER 35 -5.706 2.834 5.703 214 HB3 SER 35 2HB SER 35 -6.683 2.822 4.249 215 HG SER 35 HG SER 35 -8.005 2.313 6.053 216 H SER 36 H SER 36 -5.416 0.132 2.040 217 HA SER 36 HA SER 36 -6.957 -2.159 2.882 218 HB2 SER 36 1HB SER 36 -7.857 -0.108 0.836 219 HB3 SER 36 2HB SER 36 -8.395 -1.772 0.719 220 HG SER 36 HG SER 36 -9.752 -1.468 2.351 221 H CYS 37 H CYS 37 -4.161 -1.298 1.811 222 HA CYS 37 HA CYS 37 -4.103 -3.315 -0.297 223 HB2 CYS 37 1HB CYS 37 -3.607 -0.520 -0.657 224 HB3 CYS 37 2HB CYS 37 -2.095 -1.380 -0.861 225 H PHE 38 H PHE 38 -3.472 -2.871 2.757 226 HA PHE 38 HA PHE 38 -0.999 -4.330 2.670 227 HB2 PHE 38 1HB PHE 38 -1.341 -1.575 4.000 228 HB3 PHE 38 2HB PHE 38 0.027 -2.625 4.314 229 HD1 PHE 38 2HD PHE 38 1.284 -3.430 2.093 230 HD2 PHE 38 1HD PHE 38 -1.074 0.082 2.423 231 HE1 PHE 38 2HE PHE 38 2.500 -2.430 0.138 232 HE2 PHE 38 1HE PHE 38 0.142 1.082 0.468 233 HZ PHE 38 HZ PHE 38 1.914 -0.186 -0.651 234 H ASP 39 H ASP 39 -0.275 -4.705 5.137 235 HA ASP 39 HA ASP 39 -2.742 -5.465 6.457 236 HB2 ASP 39 1HB ASP 39 -1.328 -7.356 6.212 237 HB3 ASP 39 2HB ASP 39 0.124 -6.435 6.547 238 H VAL 40 H VAL 40 0.556 -4.992 7.859 239 HA VAL 40 HA VAL 40 -0.481 -2.726 9.406 240 HB VAL 40 HB VAL 40 -0.462 -5.016 10.590 241 HG11 VAL 40 1HG1 VAL 40 2.500 -4.379 10.784 242 HG12 VAL 40 2HG1 VAL 40 1.640 -5.742 11.539 243 HG13 VAL 40 3HG1 VAL 40 1.804 -5.665 9.768 244 HG21 VAL 40 3HG2 VAL 40 -0.883 -3.236 11.996 245 HG22 VAL 40 1HG2 VAL 40 0.649 -3.839 12.673 246 HG23 VAL 40 2HG2 VAL 40 0.648 -2.418 11.602 247 H VAL 41 H VAL 41 2.330 -4.598 8.145 248 HA VAL 41 HA VAL 41 4.176 -2.510 8.738 249 HB VAL 41 HB VAL 41 4.556 -4.740 6.751 250 HG11 VAL 41 1HG1 VAL 41 6.312 -2.966 7.050 251 HG12 VAL 41 2HG1 VAL 41 6.493 -3.509 8.736 252 HG13 VAL 41 3HG1 VAL 41 6.865 -4.622 7.397 253 HG21 VAL 41 3HG2 VAL 41 4.213 -4.916 9.717 254 HG22 VAL 41 1HG2 VAL 41 3.783 -6.080 8.441 255 HG23 VAL 41 2HG2 VAL 41 5.478 -5.914 8.959 256 H GLY 42 H GLY 42 2.565 -3.747 5.730 257 HA2 GLY 42 1HA GLY 42 3.682 -1.847 3.992 258 HA3 GLY 42 2HA GLY 42 2.219 -2.776 3.733 259 H GLU 43 H GLU 43 0.775 -1.811 6.116 260 HA GLU 43 HA GLU 43 -0.235 0.554 4.955 261 HB2 GLU 43 1HB GLU 43 -1.748 -1.010 6.047 262 HB3 GLU 43 2HB GLU 43 -0.863 -0.903 7.555 263 HG2 GLU 43 1HG GLU 43 -1.405 1.644 7.498 264 HG3 GLU 43 2HG GLU 43 -2.554 1.256 6.234 265 H GLN 44 H GLN 44 1.659 -0.250 7.927 266 HA GLN 44 HA GLN 44 1.702 2.448 8.772 267 HB2 GLN 44 1HB GLN 44 2.932 1.666 10.626 268 HB3 GLN 44 2HB GLN 44 1.942 0.285 10.195 269 HG2 GLN 44 1HG GLN 44 3.922 -0.864 10.209 270 HG3 GLN 44 2HG GLN 44 4.136 -0.184 8.608 271 HE21 GLN 44 1HE2 GLN 44 6.405 -0.506 9.135 272 HE22 GLN 44 2HE2 GLN 44 7.278 0.726 9.984 273 H ALA 45 H ALA 45 3.596 0.439 6.591 274 HA ALA 45 HA ALA 45 5.894 2.178 6.679 275 HB1 ALA 45 3HB ALA 45 6.697 0.645 4.873 276 HB2 ALA 45 1HB ALA 45 6.199 -0.218 6.348 277 HB3 ALA 45 2HB ALA 45 5.127 -0.191 4.927 278 H CYS 46 H CYS 46 2.987 1.586 4.665 279 HA CYS 46 HA CYS 46 3.859 3.292 2.576 280 HB2 CYS 46 1HB CYS 46 2.261 1.444 2.249 281 HB3 CYS 46 2HB CYS 46 1.085 2.284 3.240 282 H GLN 47 H GLN 47 2.210 3.614 5.696 283 HA GLN 47 HA GLN 47 0.847 5.947 5.301 284 HB2 GLN 47 1HB GLN 47 2.019 4.509 7.640 285 HB3 GLN 47 2HB GLN 47 1.662 6.204 7.905 286 HG2 GLN 47 1HG GLN 47 -0.672 5.896 7.264 287 HG3 GLN 47 2HG GLN 47 -0.362 4.267 6.695 288 HE21 GLN 47 1HE2 GLN 47 0.176 6.258 9.603 289 HE22 GLN 47 2HE2 GLN 47 -0.310 5.076 10.772 290 H MET 48 H MET 48 4.263 5.487 6.453 291 HA MET 48 HA MET 48 4.771 8.228 6.603 292 HB2 MET 48 1HB MET 48 6.528 5.732 6.369 293 HB3 MET 48 2HB MET 48 7.234 7.328 6.525 294 HG2 MET 48 1HG MET 48 5.163 7.043 8.537 295 HG3 MET 48 2HG MET 48 6.210 5.639 8.615 296 HE1 MET 48 3HE MET 48 9.397 6.705 8.191 297 HE2 MET 48 1HE MET 48 9.359 6.611 9.968 298 HE3 MET 48 2HE MET 48 8.384 5.483 8.996 299 H SER 49 H SER 49 4.855 5.867 3.960 300 HA SER 49 HA SER 49 6.499 7.461 2.300 301 HB2 SER 49 1HB SER 49 5.548 4.820 2.289 302 HB3 SER 49 2HB SER 49 4.737 5.548 0.917 303 HG SER 49 HG SER 49 6.585 5.600 -0.167 304 H ALA 50 H ALA 50 2.991 7.019 2.869 305 HA ALA 50 HA ALA 50 1.883 8.122 0.660 306 HB1 ALA 50 3HB ALA 50 0.465 7.269 2.353 307 HB2 ALA 50 1HB ALA 50 1.189 8.308 3.604 308 HB3 ALA 50 2HB ALA 50 0.145 9.020 2.351 309 H GLN 51 H GLN 51 2.556 9.887 -0.462 310 HA GLN 51 HA GLN 51 3.147 12.249 1.147 311 HB2 GLN 51 1HB GLN 51 4.829 10.889 -0.700 312 HB3 GLN 51 2HB GLN 51 4.327 12.357 -1.515 313 HG2 GLN 51 1HG GLN 51 5.097 12.717 1.346 314 HG3 GLN 51 2HG GLN 51 6.404 12.213 0.293 315 HE21 GLN 51 1HE2 GLN 51 7.561 13.990 0.028 316 HE22 GLN 51 2HE2 GLN 51 6.995 15.504 -0.595 317 H CYS 52 H CYS 52 0.539 11.966 0.667 318 HA CYS 52 HA CYS 52 0.086 13.821 -1.540 319 HB2 CYS 52 1HB CYS 52 -1.850 11.587 -0.980 320 HB3 CYS 52 2HB CYS 52 -1.780 12.659 -2.365 Start of MODEL 11 1 H1 ASN 1 1H ASN 1 10.290 -6.151 -1.233 2 HA ASN 1 HA ASN 1 10.750 -5.145 0.756 3 HB2 ASN 1 1HB ASN 1 10.271 -2.762 -0.797 4 HB3 ASN 1 2HB ASN 1 9.213 -2.679 0.598 5 HD21 ASN 1 1HD2 ASN 1 10.187 -1.224 1.837 6 HD22 ASN 1 2HD2 ASN 1 11.793 -1.335 2.475 7 HA PRO 2 HA PRO 2 6.016 -4.681 1.236 8 HB2 PRO 2 1HB PRO 2 4.441 -4.480 -0.987 9 HB3 PRO 2 2HB PRO 2 4.998 -3.089 -0.078 10 HG2 PRO 2 1HG PRO 2 5.945 -4.095 -2.691 11 HG3 PRO 2 2HG PRO 2 6.173 -2.511 -1.977 12 HD2 PRO 2 1HD PRO 2 8.115 -4.616 -2.140 13 HD3 PRO 2 2HD PRO 2 8.304 -3.076 -1.325 14 H GLU 3 H GLU 3 7.726 -6.788 -0.525 15 HA GLU 3 HA GLU 3 5.832 -8.635 -1.287 16 HB2 GLU 3 1HB GLU 3 7.719 -10.258 -1.269 17 HB3 GLU 3 2HB GLU 3 8.164 -8.744 -2.030 18 HG2 GLU 3 1HG GLU 3 8.936 -8.110 0.467 19 HG3 GLU 3 2HG GLU 3 9.023 -9.852 0.643 20 H ASP 4 H ASP 4 7.239 -7.872 1.885 21 HA ASP 4 HA ASP 4 6.262 -10.286 3.045 22 HB2 ASP 4 1HB ASP 4 7.068 -7.848 4.644 23 HB3 ASP 4 2HB ASP 4 7.301 -9.540 5.039 24 H TRP 5 H TRP 5 5.033 -7.182 2.159 25 HA TRP 5 HA TRP 5 2.766 -7.526 4.001 26 HB2 TRP 5 1HB TRP 5 3.188 -4.796 3.081 27 HB3 TRP 5 2HB TRP 5 2.848 -5.413 4.685 28 HD1 TRP 5 HD TRP 5 5.373 -6.871 5.596 29 HE1 TRP 5 1HE TRP 5 7.774 -5.799 5.820 30 HE3 TRP 5 3HE TRP 5 4.527 -3.018 2.387 31 HZ2 TRP 5 2HZ TRP 5 9.022 -3.512 4.656 32 HZ3 TRP 5 3HZ TRP 5 6.390 -1.410 1.987 33 HH2 TRP 5 HH TRP 5 8.576 -1.610 3.061 34 H PHE 6 H PHE 6 1.387 -5.260 2.610 35 HA PHE 6 HA PHE 6 -0.024 -4.971 0.942 36 HB2 PHE 6 1HB PHE 6 1.906 -4.549 -0.461 37 HB3 PHE 6 2HB PHE 6 2.419 -6.224 -0.397 38 HD1 PHE 6 1HD PHE 6 -0.467 -4.188 -1.615 39 HD2 PHE 6 2HD PHE 6 2.055 -7.540 -2.255 40 HE1 PHE 6 1HE PHE 6 -1.599 -4.619 -3.813 41 HE2 PHE 6 2HE PHE 6 0.923 -7.971 -4.454 42 HZ PHE 6 HZ PHE 6 -0.890 -6.506 -5.207 43 H THR 7 H THR 7 -1.936 -6.019 0.686 44 HA THR 7 HA THR 7 -1.808 -8.938 0.309 45 HB THR 7 HB THR 7 -4.035 -8.916 1.457 46 HG1 THR 7 1HG THR 7 -4.507 -6.671 2.377 47 HG21 THR 7 3HG2 THR 7 -1.663 -8.637 2.759 48 HG22 THR 7 1HG2 THR 7 -2.409 -7.085 3.210 49 HG23 THR 7 2HG2 THR 7 -3.219 -8.616 3.623 50 HA PRO 8 HA PRO 8 -3.416 -7.700 -3.595 51 HB2 PRO 8 1HB PRO 8 -2.543 -9.887 -4.981 52 HB3 PRO 8 2HB PRO 8 -1.587 -8.431 -4.787 53 HG2 PRO 8 1HG PRO 8 -1.278 -11.044 -3.438 54 HG3 PRO 8 2HG PRO 8 -0.116 -9.741 -3.587 55 HD2 PRO 8 1HD PRO 8 -1.663 -10.404 -1.265 56 HD3 PRO 8 2HD PRO 8 -0.588 -9.033 -1.451 57 H ASP 9 H ASP 9 -4.338 -9.853 -1.362 58 HA ASP 9 HA ASP 9 -6.203 -11.210 -3.067 59 HB2 ASP 9 1HB ASP 9 -5.750 -11.260 -0.047 60 HB3 ASP 9 2HB ASP 9 -6.935 -12.259 -0.865 61 H THR 10 H THR 10 -5.938 -8.318 -1.156 62 HA THR 10 HA THR 10 -8.845 -7.928 -1.333 63 HB THR 10 HB THR 10 -8.405 -8.508 0.995 64 HG1 THR 10 1HG THR 10 -9.731 -6.633 0.771 65 HG21 THR 10 3HG2 THR 10 -5.837 -7.804 0.727 66 HG22 THR 10 1HG2 THR 10 -6.442 -6.214 1.250 67 HG23 THR 10 2HG2 THR 10 -6.647 -7.635 2.303 68 H CYS 11 H CYS 11 -6.945 -7.160 -3.289 69 HA CYS 11 HA CYS 11 -7.367 -4.311 -3.119 70 HB2 CYS 11 1HB CYS 11 -5.000 -5.047 -2.199 71 HB3 CYS 11 2HB CYS 11 -4.610 -5.162 -3.903 72 H ALA 12 H ALA 12 -7.375 -3.346 -5.278 73 HA ALA 12 HA ALA 12 -8.242 -5.126 -7.278 74 HB1 ALA 12 3HB ALA 12 -8.951 -3.209 -8.252 75 HB2 ALA 12 1HB ALA 12 -8.440 -2.423 -6.739 76 HB3 ALA 12 2HB ALA 12 -7.345 -2.451 -8.142 77 H TYR 13 H TYR 13 -5.125 -4.371 -6.105 78 HA TYR 13 HA TYR 13 -3.913 -5.017 -8.703 79 HB2 TYR 13 1HB TYR 13 -3.056 -3.622 -6.104 80 HB3 TYR 13 2HB TYR 13 -1.852 -4.144 -7.265 81 HD1 TYR 13 2HD TYR 13 -4.812 -1.925 -6.837 82 HD2 TYR 13 1HD TYR 13 -1.354 -2.839 -9.186 83 HE1 TYR 13 2HE TYR 13 -5.106 0.245 -8.128 84 HE2 TYR 13 1HE TYR 13 -1.660 -0.666 -10.469 85 HH TYR 13 HH TYR 13 -2.699 1.279 -10.487 86 H GLY 14 H GLY 14 -2.139 -6.562 -8.750 87 HA2 GLY 14 1HA GLY 14 -2.405 -8.579 -6.610 88 HA3 GLY 14 2HA GLY 14 -1.967 -8.896 -8.277 89 H ASP 15 H ASP 15 -0.224 -6.343 -8.286 90 HA ASP 15 HA ASP 15 2.089 -7.695 -7.265 91 HB2 ASP 15 1HB ASP 15 2.077 -4.931 -8.515 92 HB3 ASP 15 2HB ASP 15 3.356 -6.128 -8.547 93 H SER 16 H SER 16 3.519 -6.730 -5.642 94 HA SER 16 HA SER 16 2.098 -4.978 -3.866 95 HB2 SER 16 1HB SER 16 4.853 -5.705 -3.108 96 HB3 SER 16 2HB SER 16 3.357 -5.928 -2.222 97 HG SER 16 HG SER 16 4.181 -7.986 -2.735 98 H ASN 17 H ASN 17 4.844 -4.982 -6.130 99 HA ASN 17 HA ASN 17 6.026 -2.640 -5.166 100 HB2 ASN 17 1HB ASN 17 6.988 -4.457 -6.783 101 HB3 ASN 17 2HB ASN 17 6.121 -3.622 -8.057 102 HD21 ASN 17 1HD2 ASN 17 8.924 -3.966 -7.874 103 HD22 ASN 17 2HD2 ASN 17 9.678 -2.411 -7.755 104 H THR 18 H THR 18 3.899 -3.391 -8.033 105 HA THR 18 HA THR 18 3.589 -0.698 -8.818 106 HB THR 18 HB THR 18 3.106 -3.184 -9.904 107 HG1 THR 18 1HG THR 18 3.281 -0.878 -10.785 108 HG21 THR 18 3HG2 THR 18 0.721 -3.417 -10.302 109 HG22 THR 18 1HG2 THR 18 0.921 -3.305 -8.536 110 HG23 THR 18 2HG2 THR 18 0.373 -1.886 -9.462 111 H ALA 19 H ALA 19 1.695 -2.861 -6.660 112 HA ALA 19 HA ALA 19 -0.511 -1.221 -6.357 113 HB1 ALA 19 3HB ALA 19 -0.618 -2.422 -4.072 114 HB2 ALA 19 1HB ALA 19 -0.618 -3.439 -5.533 115 HB3 ALA 19 2HB ALA 19 0.874 -3.249 -4.580 116 H TRP 20 H TRP 20 2.472 -1.425 -4.282 117 HA TRP 20 HA TRP 20 1.821 0.651 -2.589 118 HB2 TRP 20 1HB TRP 20 3.599 -0.823 -2.055 119 HB3 TRP 20 2HB TRP 20 4.469 -0.440 -3.527 120 HD1 TRP 20 HD TRP 20 5.037 2.502 -3.564 121 HE1 TRP 20 1HE TRP 20 6.234 3.916 -1.685 122 HE3 TRP 20 3HE TRP 20 4.084 -0.752 0.225 123 HZ2 TRP 20 2HZ TRP 20 6.639 3.524 1.112 124 HZ3 TRP 20 3HZ TRP 20 4.915 -0.161 2.499 125 HH2 TRP 20 HH TRP 20 6.153 1.893 2.973 126 H THR 21 H THR 21 3.552 0.638 -5.771 127 HA THR 21 HA THR 21 4.195 3.332 -5.863 128 HB THR 21 HB THR 21 3.892 1.023 -7.729 129 HG1 THR 21 1HG THR 21 5.994 1.555 -7.169 130 HG21 THR 21 3HG2 THR 21 2.809 2.404 -9.299 131 HG22 THR 21 1HG2 THR 21 3.467 3.896 -8.585 132 HG23 THR 21 2HG2 THR 21 4.505 2.856 -9.591 133 H THR 22 H THR 22 1.245 1.706 -7.216 134 HA THR 22 HA THR 22 0.042 4.121 -7.997 135 HB THR 22 HB THR 22 -0.911 1.277 -7.444 136 HG1 THR 22 1HG THR 22 -0.757 1.303 -9.726 137 HG21 THR 22 3HG2 THR 22 -2.612 3.149 -9.046 138 HG22 THR 22 1HG2 THR 22 -3.101 1.803 -7.989 139 HG23 THR 22 2HG2 THR 22 -2.677 3.381 -7.282 140 H CYS 23 H CYS 23 0.266 2.463 -4.880 141 HA CYS 23 HA CYS 23 -1.917 3.839 -3.726 142 HB2 CYS 23 1HB CYS 23 -0.179 1.753 -2.995 143 HB3 CYS 23 2HB CYS 23 0.083 3.015 -1.807 144 H THR 24 H THR 24 1.639 4.328 -4.018 145 HA THR 24 HA THR 24 1.531 6.730 -2.399 146 HB THR 24 HB THR 24 4.044 6.688 -3.144 147 HG1 THR 24 1HG THR 24 3.367 5.199 -4.975 148 HG21 THR 24 3HG2 THR 24 4.404 5.517 -1.214 149 HG22 THR 24 1HG2 THR 24 2.656 5.188 -1.150 150 HG23 THR 24 2HG2 THR 24 3.749 4.036 -1.954 151 H THR 25 H THR 25 -0.159 7.722 -3.829 152 HA THR 25 HA THR 25 1.213 9.416 -5.736 153 HB THR 25 HB THR 25 -0.333 8.838 -7.577 154 HG1 THR 25 1HG THR 25 -2.207 8.122 -6.555 155 HG21 THR 25 3HG2 THR 25 0.362 6.573 -8.089 156 HG22 THR 25 1HG2 THR 25 1.715 7.305 -7.194 157 HG23 THR 25 2HG2 THR 25 0.600 6.191 -6.366 158 HA PRO 26 HA PRO 26 -1.609 12.267 -4.220 159 HB2 PRO 26 1HB PRO 26 -1.763 14.091 -6.250 160 HB3 PRO 26 2HB PRO 26 -0.432 14.034 -5.112 161 HG2 PRO 26 1HG PRO 26 -0.499 13.147 -7.931 162 HG3 PRO 26 2HG PRO 26 0.891 13.493 -6.923 163 HD2 PRO 26 1HD PRO 26 -0.106 10.901 -7.639 164 HD3 PRO 26 2HD PRO 26 1.212 11.250 -6.538 165 H GLY 27 H GLY 27 -3.682 11.997 -3.725 166 HA2 GLY 27 1HA GLY 27 -5.624 12.221 -5.824 167 HA3 GLY 27 2HA GLY 27 -5.442 10.574 -5.255 168 H GLN 28 H GLN 28 -7.590 10.566 -4.347 169 HA GLN 28 HA GLN 28 -7.925 12.394 -2.111 170 HB2 GLN 28 1HB GLN 28 -9.670 12.111 -4.040 171 HB3 GLN 28 2HB GLN 28 -10.089 10.601 -3.256 172 HG2 GLN 28 1HG GLN 28 -11.332 11.704 -1.717 173 HG3 GLN 28 2HG GLN 28 -9.933 12.631 -1.212 174 HE21 GLN 28 1HE2 GLN 28 -9.430 14.599 -2.259 175 HE22 GLN 28 2HE2 GLN 28 -10.640 15.538 -3.068 176 H THR 29 H THR 29 -8.068 8.918 -3.077 177 HA THR 29 HA THR 29 -8.016 8.232 -0.212 178 HB THR 29 HB THR 29 -9.015 6.055 -1.025 179 HG1 THR 29 1HG THR 29 -8.009 6.562 -3.244 180 HG21 THR 29 3HG2 THR 29 -10.961 7.194 -0.579 181 HG22 THR 29 1HG2 THR 29 -10.321 8.704 -1.271 182 HG23 THR 29 2HG2 THR 29 -11.042 7.473 -2.335 183 H CYS 30 H CYS 30 -5.646 9.135 -1.442 184 HA CYS 30 HA CYS 30 -4.152 7.049 -2.532 185 HB2 CYS 30 1HB CYS 30 -3.260 9.126 -2.935 186 HB3 CYS 30 2HB CYS 30 -3.536 9.698 -1.302 187 H TYR 31 H TYR 31 -4.190 8.482 0.821 188 HA TYR 31 HA TYR 31 -2.563 6.472 1.926 189 HB2 TYR 31 1HB TYR 31 -2.782 8.566 3.095 190 HB3 TYR 31 2HB TYR 31 -4.508 8.648 2.803 191 HD1 TYR 31 1HD TYR 31 -1.978 6.647 4.713 192 HD2 TYR 31 2HD TYR 31 -5.992 8.115 4.526 193 HE1 TYR 31 1HE TYR 31 -2.423 5.750 7.050 194 HE2 TYR 31 2HE TYR 31 -6.424 7.213 6.863 195 HH TYR 31 HH TYR 31 -4.928 6.716 8.904 196 H THR 32 H THR 32 -6.092 6.799 1.437 197 HA THR 32 HA THR 32 -6.835 4.725 3.202 198 HB THR 32 HB THR 32 -8.135 6.070 0.783 199 HG1 THR 32 1HG THR 32 -8.600 7.459 2.442 200 HG21 THR 32 3HG2 THR 32 -9.689 4.585 2.908 201 HG22 THR 32 1HG2 THR 32 -10.156 4.961 1.232 202 HG23 THR 32 2HG2 THR 32 -9.006 3.643 1.562 203 H CYS 33 H CYS 33 -5.691 4.779 -0.172 204 HA CYS 33 HA CYS 33 -6.513 2.195 -0.817 205 HB2 CYS 33 1HB CYS 33 -5.920 3.246 -2.710 206 HB3 CYS 33 2HB CYS 33 -4.695 4.224 -1.926 207 H CYS 34 H CYS 34 -3.617 3.575 0.814 208 HA CYS 34 HA CYS 34 -2.048 1.299 0.802 209 HB2 CYS 34 1HB CYS 34 -2.189 3.513 2.859 210 HB3 CYS 34 2HB CYS 34 -0.912 2.319 2.754 211 H SER 35 H SER 35 -4.775 2.379 2.864 212 HA SER 35 HA SER 35 -4.375 0.301 4.752 213 HB2 SER 35 1HB SER 35 -5.482 2.575 5.176 214 HB3 SER 35 2HB SER 35 -6.886 1.970 4.320 215 HG SER 35 HG SER 35 -5.849 1.219 6.865 216 H SER 36 H SER 36 -5.256 0.188 1.574 217 HA SER 36 HA SER 36 -7.003 -2.088 2.079 218 HB2 SER 36 1HB SER 36 -7.304 -0.361 -0.395 219 HB3 SER 36 2HB SER 36 -8.445 -1.509 0.276 220 HG SER 36 HG SER 36 -7.654 0.965 1.563 221 H CYS 37 H CYS 37 -3.987 -1.325 1.339 222 HA CYS 37 HA CYS 37 -3.785 -3.448 -0.642 223 HB2 CYS 37 1HB CYS 37 -3.354 -0.707 -1.241 224 HB3 CYS 37 2HB CYS 37 -1.778 -1.473 -1.195 225 H PHE 38 H PHE 38 -3.370 -2.837 2.390 226 HA PHE 38 HA PHE 38 -0.865 -4.221 2.563 227 HB2 PHE 38 1HB PHE 38 -1.345 -1.398 3.693 228 HB3 PHE 38 2HB PHE 38 0.022 -2.394 4.152 229 HD1 PHE 38 1HD PHE 38 1.144 -3.454 1.800 230 HD2 PHE 38 2HD PHE 38 -0.729 0.321 2.302 231 HE1 PHE 38 1HE PHE 38 2.458 -2.544 -0.136 232 HE2 PHE 38 2HE PHE 38 0.585 1.231 0.367 233 HZ PHE 38 HZ PHE 38 2.163 -0.213 -0.829 234 H ASP 39 H ASP 39 -0.310 -4.525 5.046 235 HA ASP 39 HA ASP 39 -2.872 -5.058 6.317 236 HB2 ASP 39 1HB ASP 39 -1.553 -7.072 5.963 237 HB3 ASP 39 2HB ASP 39 -0.112 -6.316 6.611 238 H VAL 40 H VAL 40 0.100 -5.359 8.169 239 HA VAL 40 HA VAL 40 -0.678 -3.038 9.749 240 HB VAL 40 HB VAL 40 -0.370 -5.295 10.765 241 HG11 VAL 40 1HG1 VAL 40 1.849 -6.207 11.085 242 HG12 VAL 40 2HG1 VAL 40 1.556 -5.988 9.343 243 HG13 VAL 40 3HG1 VAL 40 2.581 -4.831 10.226 244 HG21 VAL 40 3HG2 VAL 40 1.538 -3.158 11.775 245 HG22 VAL 40 1HG2 VAL 40 -0.213 -3.216 12.089 246 HG23 VAL 40 2HG2 VAL 40 0.848 -4.496 12.724 247 H VAL 41 H VAL 41 2.240 -4.514 8.172 248 HA VAL 41 HA VAL 41 3.815 -2.197 8.633 249 HB VAL 41 HB VAL 41 4.226 -4.466 6.677 250 HG11 VAL 41 1HG1 VAL 41 6.603 -3.930 6.891 251 HG12 VAL 41 2HG1 VAL 41 5.689 -2.515 6.317 252 HG13 VAL 41 3HG1 VAL 41 6.219 -2.604 8.014 253 HG21 VAL 41 3HG2 VAL 41 4.718 -4.271 9.646 254 HG22 VAL 41 1HG2 VAL 41 3.957 -5.581 8.712 255 HG23 VAL 41 2HG2 VAL 41 5.717 -5.326 8.618 256 H GLY 42 H GLY 42 2.916 -3.675 5.443 257 HA2 GLY 42 1HA GLY 42 3.385 -1.724 3.733 258 HA3 GLY 42 2HA GLY 42 1.916 -2.675 3.645 259 H GLU 43 H GLU 43 0.758 -1.661 6.185 260 HA GLU 43 HA GLU 43 -0.428 0.654 5.083 261 HB2 GLU 43 1HB GLU 43 -1.501 -1.171 6.588 262 HB3 GLU 43 2HB GLU 43 -0.759 -0.334 7.938 263 HG2 GLU 43 1HG GLU 43 -1.889 1.821 6.887 264 HG3 GLU 43 2HG GLU 43 -2.905 0.668 6.045 265 H GLN 44 H GLN 44 1.506 0.024 8.102 266 HA GLN 44 HA GLN 44 1.741 2.776 8.639 267 HB2 GLN 44 1HB GLN 44 2.938 2.121 10.555 268 HB3 GLN 44 2HB GLN 44 1.893 0.745 10.264 269 HG2 GLN 44 1HG GLN 44 3.874 -0.225 8.860 270 HG3 GLN 44 2HG GLN 44 4.856 1.009 9.625 271 HE21 GLN 44 1HE2 GLN 44 6.045 0.073 11.104 272 HE22 GLN 44 2HE2 GLN 44 5.513 -1.024 12.335 273 H ALA 45 H ALA 45 3.293 0.644 6.421 274 HA ALA 45 HA ALA 45 5.803 2.077 6.420 275 HB1 ALA 45 3HB ALA 45 6.132 0.486 4.383 276 HB2 ALA 45 1HB ALA 45 6.045 -0.228 6.011 277 HB3 ALA 45 2HB ALA 45 4.626 -0.283 4.938 278 H CYS 46 H CYS 46 2.859 1.675 4.361 279 HA CYS 46 HA CYS 46 3.822 3.421 2.360 280 HB2 CYS 46 1HB CYS 46 2.184 1.713 1.855 281 HB3 CYS 46 2HB CYS 46 1.040 2.413 2.983 282 H GLN 47 H GLN 47 2.154 3.729 5.470 283 HA GLN 47 HA GLN 47 0.899 6.130 5.131 284 HB2 GLN 47 1HB GLN 47 1.615 4.393 7.302 285 HB3 GLN 47 2HB GLN 47 2.051 6.022 7.778 286 HG2 GLN 47 1HG GLN 47 -0.417 6.481 6.647 287 HG3 GLN 47 2HG GLN 47 -0.649 4.855 7.258 288 HE21 GLN 47 1HE2 GLN 47 -1.698 4.945 9.088 289 HE22 GLN 47 2HE2 GLN 47 -1.380 5.993 10.430 290 H MET 48 H MET 48 4.306 5.454 6.170 291 HA MET 48 HA MET 48 4.965 8.134 6.526 292 HB2 MET 48 1HB MET 48 6.394 5.498 6.223 293 HB3 MET 48 2HB MET 48 7.369 6.926 5.938 294 HG2 MET 48 1HG MET 48 5.618 6.867 8.401 295 HG3 MET 48 2HG MET 48 7.084 5.907 8.405 296 HE1 MET 48 3HE MET 48 7.787 9.045 10.510 297 HE2 MET 48 1HE MET 48 6.176 9.388 9.836 298 HE3 MET 48 2HE MET 48 6.579 7.744 10.387 299 H SER 49 H SER 49 5.482 5.862 3.744 300 HA SER 49 HA SER 49 6.775 7.775 2.178 301 HB2 SER 49 1HB SER 49 5.556 5.068 1.753 302 HB3 SER 49 2HB SER 49 5.798 6.046 0.319 303 HG SER 49 HG SER 49 7.770 5.122 2.209 304 H ALA 50 H ALA 50 3.464 7.328 3.096 305 HA ALA 50 HA ALA 50 2.018 8.047 0.903 306 HB1 ALA 50 3HB ALA 50 1.362 7.470 3.376 307 HB2 ALA 50 1HB ALA 50 1.428 9.232 3.618 308 HB3 ALA 50 2HB ALA 50 0.307 8.539 2.422 309 H GLN 51 H GLN 51 2.981 9.523 -0.515 310 HA GLN 51 HA GLN 51 3.453 12.160 0.637 311 HB2 GLN 51 1HB GLN 51 5.434 11.065 -0.423 312 HB3 GLN 51 2HB GLN 51 4.562 10.958 -1.940 313 HG2 GLN 51 1HG GLN 51 4.740 13.232 -2.375 314 HG3 GLN 51 2HG GLN 51 4.668 13.676 -0.682 315 HE21 GLN 51 1HE2 GLN 51 6.418 14.984 -0.661 316 HE22 GLN 51 2HE2 GLN 51 8.053 14.453 -0.868 317 H CYS 52 H CYS 52 0.839 11.804 0.362 318 HA CYS 52 HA CYS 52 0.195 12.926 -2.269 319 HB2 CYS 52 1HB CYS 52 -2.200 12.055 -1.296 320 HB3 CYS 52 2HB CYS 52 -1.191 11.202 -2.447 Start of MODEL 12 1 H1 ASN 1 1H ASN 1 11.679 -5.006 0.774 2 HA ASN 1 HA ASN 1 9.851 -3.655 -0.704 3 HB2 ASN 1 1HB ASN 1 11.248 -6.128 -0.858 4 HB3 ASN 1 2HB ASN 1 9.561 -6.565 -1.042 5 HD21 ASN 1 1HD2 ASN 1 9.347 -6.951 -3.131 6 HD22 ASN 1 2HD2 ASN 1 9.709 -5.857 -4.424 7 HA PRO 2 HA PRO 2 6.000 -4.701 1.114 8 HB2 PRO 2 1HB PRO 2 4.287 -4.584 -1.012 9 HB3 PRO 2 2HB PRO 2 4.864 -3.161 -0.167 10 HG2 PRO 2 1HG PRO 2 5.674 -4.202 -2.813 11 HG3 PRO 2 2HG PRO 2 5.907 -2.598 -2.146 12 HD2 PRO 2 1HD PRO 2 7.885 -4.661 -2.387 13 HD3 PRO 2 2HD PRO 2 8.087 -3.100 -1.616 14 H GLU 3 H GLU 3 7.634 -6.800 -0.747 15 HA GLU 3 HA GLU 3 5.754 -8.705 -1.348 16 HB2 GLU 3 1HB GLU 3 7.632 -10.254 -1.521 17 HB3 GLU 3 2HB GLU 3 8.122 -8.691 -2.143 18 HG2 GLU 3 1HG GLU 3 9.804 -8.574 -0.630 19 HG3 GLU 3 2HG GLU 3 8.662 -8.713 0.692 20 H ASP 4 H ASP 4 7.150 -7.744 1.739 21 HA ASP 4 HA ASP 4 6.362 -10.190 3.003 22 HB2 ASP 4 1HB ASP 4 8.336 -8.416 3.548 23 HB3 ASP 4 2HB ASP 4 7.089 -7.717 4.561 24 H TRP 5 H TRP 5 5.040 -7.085 2.152 25 HA TRP 5 HA TRP 5 2.821 -7.503 4.037 26 HB2 TRP 5 1HB TRP 5 3.186 -4.763 3.088 27 HB3 TRP 5 2HB TRP 5 2.832 -5.373 4.692 28 HD1 TRP 5 HD TRP 5 5.324 -6.735 5.724 29 HE1 TRP 5 1HE TRP 5 7.724 -5.659 5.942 30 HE3 TRP 5 3HE TRP 5 4.565 -3.063 2.290 31 HZ2 TRP 5 2HZ TRP 5 9.007 -3.443 4.682 32 HZ3 TRP 5 3HZ TRP 5 6.442 -1.485 1.843 33 HH2 TRP 5 HH TRP 5 8.604 -1.631 2.974 34 H PHE 6 H PHE 6 1.364 -5.260 2.669 35 HA PHE 6 HA PHE 6 -0.089 -5.000 1.033 36 HB2 PHE 6 1HB PHE 6 1.816 -4.592 -0.418 37 HB3 PHE 6 2HB PHE 6 2.314 -6.272 -0.365 38 HD1 PHE 6 2HD PHE 6 -0.690 -4.308 -1.421 39 HD2 PHE 6 1HD PHE 6 1.982 -7.489 -2.285 40 HE1 PHE 6 2HE PHE 6 -1.894 -4.732 -3.583 41 HE2 PHE 6 1HE PHE 6 0.778 -7.913 -4.446 42 HZ PHE 6 HZ PHE 6 -1.145 -6.529 -5.070 43 H THR 7 H THR 7 -1.996 -6.044 0.671 44 HA THR 7 HA THR 7 -1.857 -8.974 0.376 45 HB THR 7 HB THR 7 -4.155 -8.859 1.522 46 HG1 THR 7 1HG THR 7 -4.104 -6.417 0.925 47 HG21 THR 7 3HG2 THR 7 -1.775 -9.094 2.748 48 HG22 THR 7 1HG2 THR 7 -2.175 -7.461 3.332 49 HG23 THR 7 2HG2 THR 7 -3.258 -8.826 3.696 50 HA PRO 8 HA PRO 8 -3.607 -7.720 -3.467 51 HB2 PRO 8 1HB PRO 8 -2.713 -9.862 -4.911 52 HB3 PRO 8 2HB PRO 8 -1.796 -8.380 -4.727 53 HG2 PRO 8 1HG PRO 8 -1.365 -10.999 -3.426 54 HG3 PRO 8 2HG PRO 8 -0.248 -9.659 -3.593 55 HD2 PRO 8 1HD PRO 8 -1.700 -10.400 -1.232 56 HD3 PRO 8 2HD PRO 8 -0.673 -8.994 -1.434 57 H ASP 9 H ASP 9 -4.384 -9.941 -1.240 58 HA ASP 9 HA ASP 9 -6.305 -11.270 -2.922 59 HB2 ASP 9 1HB ASP 9 -4.864 -11.967 -0.600 60 HB3 ASP 9 2HB ASP 9 -6.503 -11.750 -0.020 61 H THR 10 H THR 10 -6.038 -8.344 -1.296 62 HA THR 10 HA THR 10 -8.930 -8.088 -1.089 63 HB THR 10 HB THR 10 -8.248 -8.804 1.177 64 HG1 THR 10 1HG THR 10 -9.211 -6.944 2.111 65 HG21 THR 10 3HG2 THR 10 -5.861 -7.367 0.637 66 HG22 THR 10 1HG2 THR 10 -6.724 -6.385 1.846 67 HG23 THR 10 2HG2 THR 10 -6.329 -8.085 2.197 68 H CYS 11 H CYS 11 -7.335 -7.165 -3.155 69 HA CYS 11 HA CYS 11 -7.787 -4.359 -2.836 70 HB2 CYS 11 1HB CYS 11 -5.320 -5.095 -2.052 71 HB3 CYS 11 2HB CYS 11 -5.027 -4.933 -3.773 72 H ALA 12 H ALA 12 -7.241 -3.261 -5.071 73 HA ALA 12 HA ALA 12 -8.323 -4.990 -7.098 74 HB1 ALA 12 3HB ALA 12 -8.871 -2.497 -6.605 75 HB2 ALA 12 1HB ALA 12 -7.358 -2.145 -7.474 76 HB3 ALA 12 2HB ALA 12 -8.683 -2.996 -8.303 77 H TYR 13 H TYR 13 -5.186 -3.663 -6.102 78 HA TYR 13 HA TYR 13 -3.942 -4.349 -8.615 79 HB2 TYR 13 1HB TYR 13 -2.891 -3.523 -5.837 80 HB3 TYR 13 2HB TYR 13 -1.929 -3.517 -7.301 81 HD1 TYR 13 1HD TYR 13 -3.601 -2.234 -9.294 82 HD2 TYR 13 2HD TYR 13 -3.196 -1.332 -5.131 83 HE1 TYR 13 1HE TYR 13 -4.302 0.169 -9.739 84 HE2 TYR 13 2HE TYR 13 -3.898 1.068 -5.591 85 HH TYR 13 HH TYR 13 -5.487 2.034 -8.076 86 H GLY 14 H GLY 14 -2.504 -6.062 -8.991 87 HA2 GLY 14 1HA GLY 14 -2.697 -8.246 -7.032 88 HA3 GLY 14 2HA GLY 14 -2.332 -8.394 -8.740 89 H ASP 15 H ASP 15 -0.498 -5.874 -8.428 90 HA ASP 15 HA ASP 15 1.785 -7.449 -7.629 91 HB2 ASP 15 1HB ASP 15 1.970 -4.622 -8.681 92 HB3 ASP 15 2HB ASP 15 3.089 -5.952 -8.909 93 H SER 16 H SER 16 3.339 -6.596 -6.033 94 HA SER 16 HA SER 16 2.035 -4.937 -4.088 95 HB2 SER 16 1HB SER 16 3.622 -5.746 -2.549 96 HB3 SER 16 2HB SER 16 3.402 -7.105 -3.633 97 HG SER 16 HG SER 16 5.701 -6.193 -3.015 98 H ASN 17 H ASN 17 4.897 -4.922 -6.275 99 HA ASN 17 HA ASN 17 6.026 -2.598 -5.283 100 HB2 ASN 17 1HB ASN 17 6.359 -4.381 -7.589 101 HB3 ASN 17 2HB ASN 17 6.564 -2.713 -8.087 102 HD21 ASN 17 1HD2 ASN 17 8.245 -5.270 -7.272 103 HD22 ASN 17 2HD2 ASN 17 9.595 -4.599 -6.419 104 H THR 18 H THR 18 3.745 -3.275 -8.031 105 HA THR 18 HA THR 18 3.507 -0.545 -8.794 106 HB THR 18 HB THR 18 2.998 -2.978 -9.957 107 HG1 THR 18 1HG THR 18 3.151 -0.898 -11.024 108 HG21 THR 18 3HG2 THR 18 0.817 -3.009 -8.440 109 HG22 THR 18 1HG2 THR 18 0.239 -1.765 -9.574 110 HG23 THR 18 2HG2 THR 18 0.671 -3.384 -10.173 111 H ALA 19 H ALA 19 1.764 -2.696 -6.536 112 HA ALA 19 HA ALA 19 -0.479 -1.082 -6.187 113 HB1 ALA 19 3HB ALA 19 -0.648 -3.251 -5.337 114 HB2 ALA 19 1HB ALA 19 0.958 -3.186 -4.572 115 HB3 ALA 19 2HB ALA 19 -0.406 -2.295 -3.855 116 H TRP 20 H TRP 20 2.560 -1.302 -4.196 117 HA TRP 20 HA TRP 20 1.941 0.791 -2.495 118 HB2 TRP 20 1HB TRP 20 3.690 -0.745 -1.979 119 HB3 TRP 20 2HB TRP 20 4.580 -0.334 -3.432 120 HD1 TRP 20 HD TRP 20 5.155 2.612 -3.391 121 HE1 TRP 20 1HE TRP 20 6.346 3.970 -1.467 122 HE3 TRP 20 3HE TRP 20 4.168 -0.740 0.303 123 HZ2 TRP 20 2HZ TRP 20 6.732 3.501 1.321 124 HZ3 TRP 20 3HZ TRP 20 4.987 -0.213 2.598 125 HH2 TRP 20 HH TRP 20 6.229 1.822 3.135 126 H THR 21 H THR 21 3.758 0.726 -5.637 127 HA THR 21 HA THR 21 4.386 3.426 -5.738 128 HB THR 21 HB THR 21 4.158 1.096 -7.602 129 HG1 THR 21 1HG THR 21 6.322 1.588 -7.475 130 HG21 THR 21 3HG2 THR 21 3.829 3.972 -8.472 131 HG22 THR 21 1HG2 THR 21 4.939 2.939 -9.405 132 HG23 THR 21 2HG2 THR 21 3.225 2.487 -9.247 133 H THR 22 H THR 22 1.527 1.753 -7.224 134 HA THR 22 HA THR 22 0.335 4.137 -8.095 135 HB THR 22 HB THR 22 -0.873 1.410 -7.388 136 HG1 THR 22 1HG THR 22 -0.355 1.099 -9.684 137 HG21 THR 22 3HG2 THR 22 -1.766 3.564 -9.376 138 HG22 THR 22 1HG2 THR 22 -2.543 1.983 -9.124 139 HG23 THR 22 2HG2 THR 22 -2.588 3.211 -7.837 140 H CYS 23 H CYS 23 0.717 2.817 -4.914 141 HA CYS 23 HA CYS 23 -1.627 4.107 -3.883 142 HB2 CYS 23 1HB CYS 23 0.265 2.143 -2.976 143 HB3 CYS 23 2HB CYS 23 0.156 3.428 -1.789 144 H THR 24 H THR 24 1.922 4.622 -4.136 145 HA THR 24 HA THR 24 1.782 7.055 -2.569 146 HB THR 24 HB THR 24 4.306 7.008 -3.398 147 HG1 THR 24 1HG THR 24 4.008 5.412 -5.042 148 HG21 THR 24 3HG2 THR 24 4.874 5.195 -1.760 149 HG22 THR 24 1HG2 THR 24 3.683 6.329 -1.080 150 HG23 THR 24 2HG2 THR 24 3.154 4.741 -1.686 151 H THR 25 H THR 25 0.017 7.833 -4.153 152 HA THR 25 HA THR 25 1.342 9.677 -5.934 153 HB THR 25 HB THR 25 -0.201 8.896 -7.856 154 HG1 THR 25 1HG THR 25 -1.572 7.349 -7.047 155 HG21 THR 25 3HG2 THR 25 1.756 6.754 -6.883 156 HG22 THR 25 1HG2 THR 25 1.248 7.063 -8.560 157 HG23 THR 25 2HG2 THR 25 2.277 8.241 -7.711 158 HA PRO 26 HA PRO 26 -2.000 12.119 -4.810 159 HB2 PRO 26 1HB PRO 26 -2.285 13.818 -6.931 160 HB3 PRO 26 2HB PRO 26 -1.045 14.012 -5.708 161 HG2 PRO 26 1HG PRO 26 -0.776 13.019 -8.480 162 HG3 PRO 26 2HG PRO 26 0.470 13.615 -7.402 163 HD2 PRO 26 1HD PRO 26 -0.067 10.874 -8.055 164 HD3 PRO 26 2HD PRO 26 1.101 11.464 -6.889 165 H GLY 27 H GLY 27 -4.047 11.577 -4.441 166 HA2 GLY 27 1HA GLY 27 -5.826 11.381 -6.689 167 HA3 GLY 27 2HA GLY 27 -5.461 9.824 -5.972 168 H GLN 28 H GLN 28 -7.695 9.614 -5.271 169 HA GLN 28 HA GLN 28 -8.516 11.544 -3.278 170 HB2 GLN 28 1HB GLN 28 -10.139 10.955 -5.040 171 HB3 GLN 28 2HB GLN 28 -10.024 9.258 -4.619 172 HG2 GLN 28 1HG GLN 28 -10.872 9.797 -2.309 173 HG3 GLN 28 2HG GLN 28 -11.038 11.477 -2.779 174 HE21 GLN 28 1HE2 GLN 28 -12.832 9.011 -2.115 175 HE22 GLN 28 2HE2 GLN 28 -14.113 9.103 -3.277 176 H THR 29 H THR 29 -7.584 8.121 -3.708 177 HA THR 29 HA THR 29 -7.656 7.843 -0.777 178 HB THR 29 HB THR 29 -8.331 5.482 -1.157 179 HG1 THR 29 1HG THR 29 -8.464 6.386 -3.942 180 HG21 THR 29 3HG2 THR 29 -10.565 5.794 -2.077 181 HG22 THR 29 1HG2 THR 29 -10.170 7.280 -1.180 182 HG23 THR 29 2HG2 THR 29 -10.056 7.256 -2.956 183 H CYS 30 H CYS 30 -5.428 8.954 -1.644 184 HA CYS 30 HA CYS 30 -3.551 7.113 -2.662 185 HB2 CYS 30 1HB CYS 30 -3.113 9.378 -3.067 186 HB3 CYS 30 2HB CYS 30 -3.361 9.832 -1.393 187 H TYR 31 H TYR 31 -4.174 8.553 0.623 188 HA TYR 31 HA TYR 31 -2.393 6.601 1.817 189 HB2 TYR 31 1HB TYR 31 -2.341 8.913 2.638 190 HB3 TYR 31 2HB TYR 31 -4.090 9.014 2.661 191 HD1 TYR 31 2HD TYR 31 -5.381 7.756 4.432 192 HD2 TYR 31 1HD TYR 31 -1.119 8.121 4.531 193 HE1 TYR 31 2HE TYR 31 -5.377 7.132 6.897 194 HE2 TYR 31 1HE TYR 31 -1.130 7.495 6.995 195 HH TYR 31 HH TYR 31 -2.376 7.192 8.767 196 H THR 32 H THR 32 -5.620 6.668 0.800 197 HA THR 32 HA THR 32 -6.613 5.129 3.069 198 HB THR 32 HB THR 32 -7.835 6.374 0.561 199 HG1 THR 32 1HG THR 32 -8.009 7.904 2.150 200 HG21 THR 32 3HG2 THR 32 -9.312 4.897 2.796 201 HG22 THR 32 1HG2 THR 32 -10.014 5.606 1.322 202 HG23 THR 32 2HG2 THR 32 -8.984 4.158 1.210 203 H CYS 33 H CYS 33 -5.376 4.713 -0.213 204 HA CYS 33 HA CYS 33 -6.496 2.172 -0.631 205 HB2 CYS 33 1HB CYS 33 -4.950 1.977 -2.463 206 HB3 CYS 33 2HB CYS 33 -5.664 3.577 -2.445 207 H CYS 34 H CYS 34 -3.403 3.416 0.763 208 HA CYS 34 HA CYS 34 -2.092 1.016 1.034 209 HB2 CYS 34 1HB CYS 34 -1.982 3.412 2.880 210 HB3 CYS 34 2HB CYS 34 -0.807 2.114 2.821 211 H SER 35 H SER 35 -4.796 2.468 2.827 212 HA SER 35 HA SER 35 -4.537 0.666 5.013 213 HB2 SER 35 1HB SER 35 -6.235 1.897 6.006 214 HB3 SER 35 2HB SER 35 -5.614 3.091 4.884 215 HG SER 35 HG SER 35 -7.389 2.912 3.615 216 H SER 36 H SER 36 -5.354 0.181 1.848 217 HA SER 36 HA SER 36 -7.070 -2.032 2.589 218 HB2 SER 36 1HB SER 36 -7.783 0.249 0.804 219 HB3 SER 36 2HB SER 36 -8.168 -1.338 0.168 220 HG SER 36 HG SER 36 -9.834 -1.421 1.496 221 H CYS 37 H CYS 37 -4.162 -1.378 1.671 222 HA CYS 37 HA CYS 37 -4.123 -3.444 -0.374 223 HB2 CYS 37 1HB CYS 37 -3.629 -0.691 -0.920 224 HB3 CYS 37 2HB CYS 37 -2.097 -1.536 -1.022 225 H PHE 38 H PHE 38 -3.515 -2.872 2.646 226 HA PHE 38 HA PHE 38 -1.044 -4.332 2.651 227 HB2 PHE 38 1HB PHE 38 -1.386 -1.521 3.857 228 HB3 PHE 38 2HB PHE 38 -0.018 -2.558 4.212 229 HD1 PHE 38 1HD PHE 38 1.028 -3.559 1.850 230 HD2 PHE 38 2HD PHE 38 -0.911 0.177 2.389 231 HE1 PHE 38 1HE PHE 38 2.243 -2.640 -0.145 232 HE2 PHE 38 2HE PHE 38 0.304 1.095 0.394 233 HZ PHE 38 HZ PHE 38 1.866 -0.324 -0.849 234 H ASP 39 H ASP 39 -0.372 -4.773 5.053 235 HA ASP 39 HA ASP 39 -2.848 -5.373 6.421 236 HB2 ASP 39 1HB ASP 39 -1.434 -7.291 6.180 237 HB3 ASP 39 2HB ASP 39 0.007 -6.390 6.609 238 H VAL 40 H VAL 40 0.487 -4.888 7.751 239 HA VAL 40 HA VAL 40 -0.523 -2.601 9.284 240 HB VAL 40 HB VAL 40 -0.410 -4.901 10.485 241 HG11 VAL 40 1HG1 VAL 40 2.524 -4.112 10.483 242 HG12 VAL 40 2HG1 VAL 40 1.796 -5.372 11.509 243 HG13 VAL 40 3HG1 VAL 40 1.812 -5.564 9.740 244 HG21 VAL 40 3HG2 VAL 40 -0.910 -3.172 11.905 245 HG22 VAL 40 1HG2 VAL 40 0.701 -3.604 12.527 246 HG23 VAL 40 2HG2 VAL 40 0.514 -2.217 11.428 247 H VAL 41 H VAL 41 2.373 -4.508 8.220 248 HA VAL 41 HA VAL 41 4.114 -2.288 8.581 249 HB VAL 41 HB VAL 41 4.592 -4.747 6.903 250 HG11 VAL 41 1HG1 VAL 41 6.412 -3.294 6.669 251 HG12 VAL 41 2HG1 VAL 41 6.336 -2.766 8.367 252 HG13 VAL 41 3HG1 VAL 41 6.926 -4.397 7.967 253 HG21 VAL 41 3HG2 VAL 41 4.471 -4.471 9.904 254 HG22 VAL 41 1HG2 VAL 41 3.794 -5.742 8.858 255 HG23 VAL 41 2HG2 VAL 41 5.550 -5.661 9.138 256 H GLY 42 H GLY 42 2.258 -3.723 5.865 257 HA2 GLY 42 1HA GLY 42 3.449 -2.205 3.805 258 HA3 GLY 42 2HA GLY 42 1.893 -3.010 3.762 259 H GLU 43 H GLU 43 0.700 -1.623 6.062 260 HA GLU 43 HA GLU 43 0.014 0.777 4.662 261 HB2 GLU 43 1HB GLU 43 -1.617 -0.841 5.852 262 HB3 GLU 43 2HB GLU 43 -1.058 -0.139 7.357 263 HG2 GLU 43 1HG GLU 43 -1.604 2.174 6.207 264 HG3 GLU 43 2HG GLU 43 -2.556 1.215 5.092 265 H GLN 44 H GLN 44 1.528 -0.204 7.789 266 HA GLN 44 HA GLN 44 1.755 2.391 8.772 267 HB2 GLN 44 1HB GLN 44 3.307 -0.158 9.384 268 HB3 GLN 44 2HB GLN 44 3.515 1.327 10.291 269 HG2 GLN 44 1HG GLN 44 0.671 0.571 9.971 270 HG3 GLN 44 2HG GLN 44 1.606 -0.652 10.808 271 HE21 GLN 44 1HE2 GLN 44 2.006 -0.413 12.881 272 HE22 GLN 44 2HE2 GLN 44 1.806 1.029 13.818 273 H ALA 45 H ALA 45 3.652 0.486 6.469 274 HA ALA 45 HA ALA 45 5.915 2.274 6.626 275 HB1 ALA 45 3HB ALA 45 5.274 -0.026 4.735 276 HB2 ALA 45 1HB ALA 45 6.848 0.786 4.908 277 HB3 ALA 45 2HB ALA 45 6.184 -0.165 6.258 278 H CYS 46 H CYS 46 3.040 1.644 4.584 279 HA CYS 46 HA CYS 46 3.890 3.404 2.527 280 HB2 CYS 46 1HB CYS 46 2.359 1.523 2.134 281 HB3 CYS 46 2HB CYS 46 1.147 2.286 3.144 282 H GLN 47 H GLN 47 2.178 3.619 5.626 283 HA GLN 47 HA GLN 47 0.790 5.953 5.218 284 HB2 GLN 47 1HB GLN 47 1.798 4.411 7.557 285 HB3 GLN 47 2HB GLN 47 1.476 6.103 7.880 286 HG2 GLN 47 1HG GLN 47 -0.790 5.587 6.538 287 HG3 GLN 47 2HG GLN 47 -0.442 3.937 7.014 288 HE21 GLN 47 1HE2 GLN 47 -0.029 7.126 8.553 289 HE22 GLN 47 2HE2 GLN 47 -0.873 6.772 10.023 290 H MET 48 H MET 48 4.180 5.412 6.367 291 HA MET 48 HA MET 48 4.675 8.143 6.758 292 HB2 MET 48 1HB MET 48 6.323 5.601 6.520 293 HB3 MET 48 2HB MET 48 7.165 7.138 6.506 294 HG2 MET 48 1HG MET 48 5.460 7.508 8.649 295 HG3 MET 48 2HG MET 48 5.738 5.781 8.749 296 HE1 MET 48 3HE MET 48 8.965 5.411 10.352 297 HE2 MET 48 1HE MET 48 7.294 4.886 10.033 298 HE3 MET 48 2HE MET 48 8.521 4.780 8.747 299 H SER 49 H SER 49 5.450 5.827 4.079 300 HA SER 49 HA SER 49 6.837 7.696 2.561 301 HB2 SER 49 1HB SER 49 7.035 5.274 2.193 302 HB3 SER 49 2HB SER 49 5.343 5.165 1.747 303 HG SER 49 HG SER 49 7.403 5.608 0.115 304 H ALA 50 H ALA 50 3.399 7.032 3.057 305 HA ALA 50 HA ALA 50 2.280 7.986 0.748 306 HB1 ALA 50 3HB ALA 50 0.687 8.924 2.887 307 HB2 ALA 50 1HB ALA 50 0.526 7.380 2.016 308 HB3 ALA 50 2HB ALA 50 1.507 7.468 3.499 309 H GLN 51 H GLN 51 2.931 9.798 -0.326 310 HA GLN 51 HA GLN 51 3.390 12.158 1.316 311 HB2 GLN 51 1HB GLN 51 4.862 10.995 -0.837 312 HB3 GLN 51 2HB GLN 51 4.197 12.494 -1.453 313 HG2 GLN 51 1HG GLN 51 5.314 12.712 1.295 314 HG3 GLN 51 2HG GLN 51 6.501 12.287 0.078 315 HE21 GLN 51 1HE2 GLN 51 6.242 14.724 1.600 316 HE22 GLN 51 2HE2 GLN 51 6.055 16.035 0.483 317 H CYS 52 H CYS 52 0.756 11.707 1.154 318 HA CYS 52 HA CYS 52 -0.120 13.458 -1.028 319 HB2 CYS 52 1HB CYS 52 -2.383 12.102 -0.288 320 HB3 CYS 52 2HB CYS 52 -1.398 11.778 -1.700 Start of MODEL 13 1 H1 ASN 1 1H ASN 1 11.513 -5.791 1.765 2 HA ASN 1 HA ASN 1 10.186 -4.340 -0.215 3 HB2 ASN 1 1HB ASN 1 10.591 -7.317 0.317 4 HB3 ASN 1 2HB ASN 1 9.658 -6.773 -1.063 5 HD21 ASN 1 1HD2 ASN 1 10.648 -6.144 -2.854 6 HD22 ASN 1 2HD2 ASN 1 12.356 -5.942 -3.065 7 HA PRO 2 HA PRO 2 6.068 -4.820 1.220 8 HB2 PRO 2 1HB PRO 2 4.646 -4.536 -1.096 9 HB3 PRO 2 2HB PRO 2 5.292 -3.178 -0.196 10 HG2 PRO 2 1HG PRO 2 6.273 -4.363 -2.720 11 HG3 PRO 2 2HG PRO 2 6.622 -2.787 -2.038 12 HD2 PRO 2 1HD PRO 2 8.344 -5.081 -2.031 13 HD3 PRO 2 2HD PRO 2 8.645 -3.542 -1.249 14 H GLU 3 H GLU 3 7.644 -7.146 -0.389 15 HA GLU 3 HA GLU 3 5.628 -8.818 -1.216 16 HB2 GLU 3 1HB GLU 3 7.371 -10.649 -0.840 17 HB3 GLU 3 2HB GLU 3 7.876 -9.316 -1.860 18 HG2 GLU 3 1HG GLU 3 9.659 -9.042 -0.485 19 HG3 GLU 3 2HG GLU 3 8.548 -8.460 0.740 20 H ASP 4 H ASP 4 7.093 -8.307 2.027 21 HA ASP 4 HA ASP 4 5.763 -10.494 3.186 22 HB2 ASP 4 1HB ASP 4 6.561 -8.085 4.813 23 HB3 ASP 4 2HB ASP 4 6.750 -9.784 5.196 24 H TRP 5 H TRP 5 5.096 -7.022 2.631 25 HA TRP 5 HA TRP 5 2.638 -7.211 4.207 26 HB2 TRP 5 1HB TRP 5 3.277 -4.634 2.985 27 HB3 TRP 5 2HB TRP 5 2.834 -5.032 4.633 28 HD1 TRP 5 HD TRP 5 5.227 -6.624 5.748 29 HE1 TRP 5 1HE TRP 5 7.689 -5.701 5.975 30 HE3 TRP 5 3HE TRP 5 4.742 -2.977 2.238 31 HZ2 TRP 5 2HZ TRP 5 9.125 -3.596 4.689 32 HZ3 TRP 5 3HZ TRP 5 6.722 -1.532 1.784 33 HH2 TRP 5 HH TRP 5 8.857 -1.795 2.944 34 H PHE 6 H PHE 6 1.256 -5.144 2.681 35 HA PHE 6 HA PHE 6 -0.158 -4.967 1.000 36 HB2 PHE 6 1HB PHE 6 1.735 -4.568 -0.443 37 HB3 PHE 6 2HB PHE 6 2.327 -6.207 -0.261 38 HD1 PHE 6 2HD PHE 6 -0.586 -4.349 -1.670 39 HD2 PHE 6 1HD PHE 6 1.978 -7.717 -1.979 40 HE1 PHE 6 2HE PHE 6 -1.683 -4.986 -3.837 41 HE2 PHE 6 1HE PHE 6 0.881 -8.353 -4.145 42 HZ PHE 6 HZ PHE 6 -0.936 -6.980 -5.048 43 H THR 7 H THR 7 -2.043 -6.055 0.675 44 HA THR 7 HA THR 7 -1.867 -8.993 0.580 45 HB THR 7 HB THR 7 -4.213 -8.850 1.512 46 HG1 THR 7 1HG THR 7 -4.762 -6.589 2.186 47 HG21 THR 7 3HG2 THR 7 -3.512 -8.520 3.696 48 HG22 THR 7 1HG2 THR 7 -1.895 -8.496 2.953 49 HG23 THR 7 2HG2 THR 7 -2.733 -6.967 3.308 50 HA PRO 8 HA PRO 8 -3.181 -8.197 -3.539 51 HB2 PRO 8 1HB PRO 8 -2.229 -10.526 -4.607 52 HB3 PRO 8 2HB PRO 8 -1.276 -9.060 -4.503 53 HG2 PRO 8 1HG PRO 8 -1.096 -11.509 -2.856 54 HG3 PRO 8 2HG PRO 8 0.088 -10.232 -3.058 55 HD2 PRO 8 1HD PRO 8 -1.636 -10.632 -0.801 56 HD3 PRO 8 2HD PRO 8 -0.536 -9.292 -1.055 57 H ASP 9 H ASP 9 -4.293 -10.085 -1.159 58 HA ASP 9 HA ASP 9 -6.075 -11.564 -2.871 59 HB2 ASP 9 1HB ASP 9 -4.903 -12.060 -0.383 60 HB3 ASP 9 2HB ASP 9 -6.545 -11.632 0.056 61 H THR 10 H THR 10 -5.843 -8.508 -1.360 62 HA THR 10 HA THR 10 -8.701 -8.067 -1.685 63 HB THR 10 HB THR 10 -8.481 -8.734 0.687 64 HG1 THR 10 1HG THR 10 -9.904 -6.999 0.546 65 HG21 THR 10 3HG2 THR 10 -5.954 -7.426 0.538 66 HG22 THR 10 1HG2 THR 10 -6.965 -6.394 1.578 67 HG23 THR 10 2HG2 THR 10 -6.715 -8.105 1.997 68 H CYS 11 H CYS 11 -6.599 -7.343 -3.404 69 HA CYS 11 HA CYS 11 -6.703 -4.452 -3.007 70 HB2 CYS 11 1HB CYS 11 -4.486 -5.094 -2.321 71 HB3 CYS 11 2HB CYS 11 -4.257 -6.055 -3.769 72 H ALA 12 H ALA 12 -6.403 -3.289 -5.163 73 HA ALA 12 HA ALA 12 -8.017 -4.519 -7.124 74 HB1 ALA 12 3HB ALA 12 -6.552 -1.944 -6.732 75 HB2 ALA 12 1HB ALA 12 -6.959 -2.392 -8.406 76 HB3 ALA 12 2HB ALA 12 -8.248 -2.238 -7.187 77 H TYR 13 H TYR 13 -4.476 -3.812 -6.859 78 HA TYR 13 HA TYR 13 -4.055 -5.366 -9.299 79 HB2 TYR 13 1HB TYR 13 -2.058 -3.867 -7.512 80 HB3 TYR 13 2HB TYR 13 -1.864 -4.244 -9.212 81 HD1 TYR 13 1HD TYR 13 -3.261 -3.011 -10.922 82 HD2 TYR 13 2HD TYR 13 -3.132 -1.857 -6.804 83 HE1 TYR 13 1HE TYR 13 -4.179 -0.718 -11.528 84 HE2 TYR 13 2HE TYR 13 -4.051 0.431 -7.424 85 HH TYR 13 HH TYR 13 -4.155 1.524 -10.623 86 H GLY 14 H GLY 14 -2.165 -6.910 -9.312 87 HA2 GLY 14 1HA GLY 14 -2.182 -8.456 -6.804 88 HA3 GLY 14 2HA GLY 14 -1.880 -9.082 -8.412 89 H ASP 15 H ASP 15 -0.340 -6.098 -8.314 90 HA ASP 15 HA ASP 15 2.163 -7.431 -7.711 91 HB2 ASP 15 1HB ASP 15 2.406 -4.694 -8.712 92 HB3 ASP 15 2HB ASP 15 3.048 -6.176 -9.391 93 H SER 16 H SER 16 3.498 -6.657 -6.000 94 HA SER 16 HA SER 16 2.208 -4.923 -4.153 95 HB2 SER 16 1HB SER 16 4.522 -5.300 -2.934 96 HB3 SER 16 2HB SER 16 3.365 -6.612 -3.043 97 HG SER 16 HG SER 16 4.976 -7.697 -3.945 98 H ASN 17 H ASN 17 4.867 -4.782 -6.535 99 HA ASN 17 HA ASN 17 6.041 -2.452 -5.606 100 HB2 ASN 17 1HB ASN 17 6.802 -4.182 -7.455 101 HB3 ASN 17 2HB ASN 17 5.870 -3.189 -8.558 102 HD21 ASN 17 1HD2 ASN 17 8.808 -3.752 -8.126 103 HD22 ASN 17 2HD2 ASN 17 9.577 -2.201 -8.088 104 H THR 18 H THR 18 3.625 -3.086 -8.264 105 HA THR 18 HA THR 18 3.197 -0.340 -8.823 106 HB THR 18 HB THR 18 2.514 -2.920 -9.879 107 HG1 THR 18 1HG THR 18 2.002 -1.431 -11.658 108 HG21 THR 18 3HG2 THR 18 0.270 -2.721 -8.830 109 HG22 THR 18 1HG2 THR 18 0.125 -1.052 -9.431 110 HG23 THR 18 2HG2 THR 18 0.148 -2.413 -10.579 111 H ALA 19 H ALA 19 1.724 -2.684 -6.573 112 HA ALA 19 HA ALA 19 -0.577 -1.222 -6.002 113 HB1 ALA 19 3HB ALA 19 -0.314 -2.535 -3.756 114 HB2 ALA 19 1HB ALA 19 -0.536 -3.450 -5.266 115 HB3 ALA 19 2HB ALA 19 1.087 -3.288 -4.554 116 H TRP 20 H TRP 20 2.595 -1.354 -4.222 117 HA TRP 20 HA TRP 20 1.976 0.626 -2.390 118 HB2 TRP 20 1HB TRP 20 3.832 -0.832 -2.052 119 HB3 TRP 20 2HB TRP 20 4.605 -0.311 -3.536 120 HD1 TRP 20 HD TRP 20 5.105 2.619 -3.419 121 HE1 TRP 20 1HE TRP 20 6.314 3.972 -1.502 122 HE3 TRP 20 3HE TRP 20 4.345 -0.844 0.226 123 HZ2 TRP 20 2HZ TRP 20 6.805 3.454 1.261 124 HZ3 TRP 20 3HZ TRP 20 5.220 -0.342 2.506 125 HH2 TRP 20 HH TRP 20 6.414 1.720 3.050 126 H THR 21 H THR 21 3.572 0.791 -5.644 127 HA THR 21 HA THR 21 4.071 3.517 -5.666 128 HB THR 21 HB THR 21 3.864 1.248 -7.579 129 HG1 THR 21 1HG THR 21 5.967 1.943 -7.566 130 HG21 THR 21 3HG2 THR 21 3.398 4.146 -8.430 131 HG22 THR 21 1HG2 THR 21 4.134 2.943 -9.516 132 HG23 THR 21 2HG2 THR 21 2.473 2.707 -8.923 133 H THR 22 H THR 22 1.212 1.821 -7.130 134 HA THR 22 HA THR 22 -0.149 4.165 -7.763 135 HB THR 22 HB THR 22 -1.111 1.330 -7.110 136 HG1 THR 22 1HG THR 22 -0.620 2.846 -9.574 137 HG21 THR 22 3HG2 THR 22 -2.462 3.498 -8.796 138 HG22 THR 22 1HG2 THR 22 -3.091 1.871 -8.441 139 HG23 THR 22 2HG2 THR 22 -2.976 3.083 -7.143 140 H CYS 23 H CYS 23 0.375 2.597 -4.668 141 HA CYS 23 HA CYS 23 -1.876 3.839 -3.434 142 HB2 CYS 23 1HB CYS 23 0.167 1.913 -2.715 143 HB3 CYS 23 2HB CYS 23 -0.034 3.108 -1.450 144 H THR 24 H THR 24 1.671 4.396 -3.777 145 HA THR 24 HA THR 24 1.536 6.786 -2.143 146 HB THR 24 HB THR 24 4.048 6.781 -2.971 147 HG1 THR 24 1HG THR 24 4.529 4.535 -3.714 148 HG21 THR 24 3HG2 THR 24 4.679 5.077 -1.346 149 HG22 THR 24 1HG2 THR 24 3.242 5.901 -0.694 150 HG23 THR 24 2HG2 THR 24 3.080 4.303 -1.460 151 H THR 25 H THR 25 -0.298 7.395 -3.862 152 HA THR 25 HA THR 25 1.058 9.258 -5.669 153 HB THR 25 HB THR 25 -0.467 8.601 -7.499 154 HG1 THR 25 1HG THR 25 -2.049 6.978 -7.005 155 HG21 THR 25 3HG2 THR 25 0.180 5.836 -6.670 156 HG22 THR 25 1HG2 THR 25 0.731 6.737 -8.102 157 HG23 THR 25 2HG2 THR 25 1.580 6.928 -6.549 158 HA PRO 26 HA PRO 26 -1.837 12.020 -4.123 159 HB2 PRO 26 1HB PRO 26 -1.906 13.913 -6.092 160 HB3 PRO 26 2HB PRO 26 -0.632 13.826 -4.891 161 HG2 PRO 26 1HG PRO 26 -0.551 13.040 -7.740 162 HG3 PRO 26 2HG PRO 26 0.784 13.360 -6.651 163 HD2 PRO 26 1HD PRO 26 -0.152 10.788 -7.507 164 HD3 PRO 26 2HD PRO 26 1.106 11.107 -6.330 165 H GLY 27 H GLY 27 -3.964 11.956 -3.771 166 HA2 GLY 27 1HA GLY 27 -5.772 12.143 -5.963 167 HA3 GLY 27 2HA GLY 27 -5.638 10.488 -5.402 168 H GLN 28 H GLN 28 -7.673 10.275 -4.428 169 HA GLN 28 HA GLN 28 -8.206 12.185 -2.292 170 HB2 GLN 28 1HB GLN 28 -9.903 10.863 -4.309 171 HB3 GLN 28 2HB GLN 28 -10.551 10.711 -2.688 172 HG2 GLN 28 1HG GLN 28 -9.521 13.428 -3.337 173 HG3 GLN 28 2HG GLN 28 -10.881 12.924 -4.320 174 HE21 GLN 28 1HE2 GLN 28 -12.348 14.293 -3.441 175 HE22 GLN 28 2HE2 GLN 28 -12.964 14.173 -1.827 176 H THR 29 H THR 29 -7.574 8.823 -3.133 177 HA THR 29 HA THR 29 -7.916 8.117 -0.292 178 HB THR 29 HB THR 29 -8.499 5.811 -1.197 179 HG1 THR 29 1HG THR 29 -8.983 5.897 -3.558 180 HG21 THR 29 3HG2 THR 29 -10.455 7.406 -2.718 181 HG22 THR 29 1HG2 THR 29 -10.715 6.388 -1.281 182 HG23 THR 29 2HG2 THR 29 -10.182 8.076 -1.092 183 H CYS 30 H CYS 30 -5.561 9.319 -1.266 184 HA CYS 30 HA CYS 30 -3.678 7.539 -2.206 185 HB2 CYS 30 1HB CYS 30 -3.037 9.748 -2.295 186 HB3 CYS 30 2HB CYS 30 -3.572 10.095 -0.662 187 H TYR 31 H TYR 31 -3.997 8.739 1.223 188 HA TYR 31 HA TYR 31 -2.470 6.608 2.264 189 HB2 TYR 31 1HB TYR 31 -2.638 8.705 3.477 190 HB3 TYR 31 2HB TYR 31 -4.371 8.796 3.238 191 HD1 TYR 31 2HD TYR 31 -1.771 6.768 5.013 192 HD2 TYR 31 1HD TYR 31 -5.821 8.147 4.958 193 HE1 TYR 31 2HE TYR 31 -2.148 5.776 7.323 194 HE2 TYR 31 1HE TYR 31 -6.184 7.150 7.268 195 HH TYR 31 HH TYR 31 -4.707 6.600 9.242 196 H THR 32 H THR 32 -5.898 7.025 1.489 197 HA THR 32 HA THR 32 -6.908 5.053 3.234 198 HB THR 32 HB THR 32 -7.859 6.335 0.627 199 HG1 THR 32 1HG THR 32 -7.830 7.692 2.505 200 HG21 THR 32 3HG2 THR 32 -10.141 5.502 1.364 201 HG22 THR 32 1HG2 THR 32 -9.066 4.193 0.817 202 HG23 THR 32 2HG2 THR 32 -9.326 4.462 2.557 203 H CYS 33 H CYS 33 -5.284 4.911 0.081 204 HA CYS 33 HA CYS 33 -6.076 2.196 -0.342 205 HB2 CYS 33 1HB CYS 33 -5.769 3.231 -2.351 206 HB3 CYS 33 2HB CYS 33 -4.435 4.216 -1.782 207 H CYS 34 H CYS 34 -3.570 4.006 1.334 208 HA CYS 34 HA CYS 34 -1.580 2.020 1.287 209 HB2 CYS 34 1HB CYS 34 -2.089 4.418 3.038 210 HB3 CYS 34 2HB CYS 34 -0.760 3.319 3.352 211 H SER 35 H SER 35 -4.691 2.127 2.654 212 HA SER 35 HA SER 35 -3.871 0.260 4.741 213 HB2 SER 35 1HB SER 35 -5.594 1.039 6.139 214 HB3 SER 35 2HB SER 35 -5.013 2.512 5.387 215 HG SER 35 HG SER 35 -7.463 1.976 5.453 216 H SER 36 H SER 36 -5.025 0.384 1.662 217 HA SER 36 HA SER 36 -7.044 -1.658 2.121 218 HB2 SER 36 1HB SER 36 -7.295 0.553 0.612 219 HB3 SER 36 2HB SER 36 -6.540 -0.465 -0.598 220 HG SER 36 HG SER 36 -8.248 -1.952 -0.459 221 H CYS 37 H CYS 37 -4.148 -0.832 0.096 222 HA CYS 37 HA CYS 37 -3.960 -3.613 -0.702 223 HB2 CYS 37 1HB CYS 37 -2.520 -1.109 -1.575 224 HB3 CYS 37 2HB CYS 37 -2.004 -2.710 -2.068 225 H PHE 38 H PHE 38 -3.604 -2.814 2.129 226 HA PHE 38 HA PHE 38 -1.041 -4.037 2.527 227 HB2 PHE 38 1HB PHE 38 -1.742 -1.148 3.296 228 HB3 PHE 38 2HB PHE 38 -0.472 -2.022 4.128 229 HD1 PHE 38 2HD PHE 38 0.812 -3.467 1.892 230 HD2 PHE 38 1HD PHE 38 -0.635 0.516 2.111 231 HE1 PHE 38 2HE PHE 38 2.449 -2.775 0.119 232 HE2 PHE 38 1HE PHE 38 1.002 1.208 0.338 233 HZ PHE 38 HZ PHE 38 2.524 -0.446 -0.637 234 H ASP 39 H ASP 39 -0.625 -4.282 4.999 235 HA ASP 39 HA ASP 39 -3.236 -4.705 6.222 236 HB2 ASP 39 1HB ASP 39 -2.041 -6.801 5.885 237 HB3 ASP 39 2HB ASP 39 -0.564 -6.135 6.554 238 H VAL 40 H VAL 40 -0.314 -5.192 8.110 239 HA VAL 40 HA VAL 40 -0.943 -2.802 9.656 240 HB VAL 40 HB VAL 40 -0.844 -5.046 10.717 241 HG11 VAL 40 1HG1 VAL 40 1.257 -6.180 11.051 242 HG12 VAL 40 2HG1 VAL 40 1.025 -5.926 9.305 243 HG13 VAL 40 3HG1 VAL 40 2.145 -4.884 10.215 244 HG21 VAL 40 3HG2 VAL 40 -0.444 -3.857 12.559 245 HG22 VAL 40 1HG2 VAL 40 1.305 -3.946 12.235 246 HG23 VAL 40 2HG2 VAL 40 0.347 -2.592 11.588 247 H VAL 41 H VAL 41 1.907 -4.535 8.215 248 HA VAL 41 HA VAL 41 3.620 -2.312 8.647 249 HB VAL 41 HB VAL 41 3.962 -4.667 6.784 250 HG11 VAL 41 1HG1 VAL 41 6.404 -4.284 7.378 251 HG12 VAL 41 2HG1 VAL 41 5.646 -3.046 6.347 252 HG13 VAL 41 3HG1 VAL 41 5.896 -2.730 8.081 253 HG21 VAL 41 3HG2 VAL 41 4.221 -4.446 9.771 254 HG22 VAL 41 1HG2 VAL 41 3.537 -5.758 8.782 255 HG23 VAL 41 2HG2 VAL 41 5.301 -5.534 8.867 256 H GLY 42 H GLY 42 2.032 -3.750 5.712 257 HA2 GLY 42 1HA GLY 42 2.904 -2.035 3.787 258 HA3 GLY 42 2HA GLY 42 1.307 -2.756 3.823 259 H GLU 43 H GLU 43 0.585 -1.391 6.427 260 HA GLU 43 HA GLU 43 -0.300 1.028 5.199 261 HB2 GLU 43 1HB GLU 43 -1.626 -0.564 6.792 262 HB3 GLU 43 2HB GLU 43 -0.764 0.235 8.092 263 HG2 GLU 43 1HG GLU 43 -1.578 2.455 6.821 264 HG3 GLU 43 2HG GLU 43 -2.803 1.379 6.180 265 H GLN 44 H GLN 44 1.483 0.192 8.264 266 HA GLN 44 HA GLN 44 2.163 2.829 8.800 267 HB2 GLN 44 1HB GLN 44 3.403 1.960 10.600 268 HB3 GLN 44 2HB GLN 44 2.194 0.720 10.334 269 HG2 GLN 44 1HG GLN 44 3.959 -0.389 8.751 270 HG3 GLN 44 2HG GLN 44 5.119 0.690 9.500 271 HE21 GLN 44 1HE2 GLN 44 2.414 -1.429 10.451 272 HE22 GLN 44 2HE2 GLN 44 3.189 -2.179 11.807 273 H ALA 45 H ALA 45 3.352 0.574 6.452 274 HA ALA 45 HA ALA 45 5.973 1.785 6.291 275 HB1 ALA 45 3HB ALA 45 4.601 -0.284 4.527 276 HB2 ALA 45 1HB ALA 45 6.333 0.124 4.530 277 HB3 ALA 45 2HB ALA 45 5.600 -0.656 5.952 278 H CYS 46 H CYS 46 2.882 1.643 4.422 279 HA CYS 46 HA CYS 46 3.886 3.350 2.389 280 HB2 CYS 46 1HB CYS 46 2.130 1.686 1.980 281 HB3 CYS 46 2HB CYS 46 1.048 2.543 3.060 282 H GLN 47 H GLN 47 2.320 3.674 5.550 283 HA GLN 47 HA GLN 47 1.167 6.134 5.292 284 HB2 GLN 47 1HB GLN 47 2.101 4.403 7.481 285 HB3 GLN 47 2HB GLN 47 2.210 6.101 7.897 286 HG2 GLN 47 1HG GLN 47 -0.262 6.103 6.749 287 HG3 GLN 47 2HG GLN 47 -0.219 4.441 7.302 288 HE21 GLN 47 1HE2 GLN 47 0.251 7.798 8.302 289 HE22 GLN 47 2HE2 GLN 47 -0.206 7.612 9.962 290 H MET 48 H MET 48 4.585 5.263 6.074 291 HA MET 48 HA MET 48 5.312 7.995 6.358 292 HB2 MET 48 1HB MET 48 6.807 5.333 6.220 293 HB3 MET 48 2HB MET 48 7.690 6.845 6.280 294 HG2 MET 48 1HG MET 48 6.193 7.389 8.374 295 HG3 MET 48 2HG MET 48 5.829 5.675 8.381 296 HE1 MET 48 3HE MET 48 7.359 7.806 10.334 297 HE2 MET 48 1HE MET 48 9.084 7.446 10.583 298 HE3 MET 48 2HE MET 48 8.570 8.406 9.176 299 H SER 49 H SER 49 4.421 6.255 3.681 300 HA SER 49 HA SER 49 6.286 7.762 2.020 301 HB2 SER 49 1HB SER 49 5.452 4.893 1.900 302 HB3 SER 49 2HB SER 49 5.537 5.724 0.359 303 HG SER 49 HG SER 49 7.627 5.195 2.249 304 H ALA 50 H ALA 50 3.273 7.822 3.192 305 HA ALA 50 HA ALA 50 1.592 7.769 0.954 306 HB1 ALA 50 3HB ALA 50 1.302 9.390 3.513 307 HB2 ALA 50 1HB ALA 50 -0.002 8.849 2.428 308 HB3 ALA 50 2HB ALA 50 0.921 7.657 3.375 309 H GLN 51 H GLN 51 2.823 8.853 -0.734 310 HA GLN 51 HA GLN 51 3.383 11.630 -0.310 311 HB2 GLN 51 1HB GLN 51 4.457 9.616 -1.935 312 HB3 GLN 51 2HB GLN 51 3.604 10.636 -3.076 313 HG2 GLN 51 1HG GLN 51 4.799 12.601 -1.674 314 HG3 GLN 51 2HG GLN 51 5.930 11.322 -1.283 315 HE21 GLN 51 1HE2 GLN 51 6.637 9.957 -3.182 316 HE22 GLN 51 2HE2 GLN 51 7.048 10.780 -4.650 317 H CYS 52 H CYS 52 0.954 11.977 0.171 318 HA CYS 52 HA CYS 52 -0.663 12.011 -2.230 319 HB2 CYS 52 1HB CYS 52 -1.714 13.086 0.328 320 HB3 CYS 52 2HB CYS 52 -2.497 12.104 -0.894 Start of MODEL 14 1 H1 ASN 1 1H ASN 1 10.338 -6.265 -1.604 2 HA ASN 1 HA ASN 1 10.737 -5.179 0.292 3 HB2 ASN 1 1HB ASN 1 10.372 -2.929 -1.381 4 HB3 ASN 1 2HB ASN 1 9.174 -2.703 -0.122 5 HD21 ASN 1 1HD2 ASN 1 12.134 -1.852 -0.972 6 HD22 ASN 1 2HD2 ASN 1 12.932 -1.673 0.555 7 HA PRO 2 HA PRO 2 6.049 -4.585 1.016 8 HB2 PRO 2 1HB PRO 2 4.345 -4.521 -1.119 9 HB3 PRO 2 2HB PRO 2 4.977 -3.077 -0.354 10 HG2 PRO 2 1HG PRO 2 5.749 -4.296 -2.934 11 HG3 PRO 2 2HG PRO 2 6.044 -2.668 -2.358 12 HD2 PRO 2 1HD PRO 2 7.940 -4.817 -2.474 13 HD3 PRO 2 2HD PRO 2 8.202 -3.225 -1.791 14 H GLU 3 H GLU 3 7.618 -6.854 -0.670 15 HA GLU 3 HA GLU 3 5.687 -8.717 -1.216 16 HB2 GLU 3 1HB GLU 3 7.513 -10.361 -1.167 17 HB3 GLU 3 2HB GLU 3 8.056 -8.881 -1.933 18 HG2 GLU 3 1HG GLU 3 9.806 -8.952 -0.476 19 HG3 GLU 3 2HG GLU 3 8.668 -8.386 0.731 20 H ASP 4 H ASP 4 7.202 -7.768 1.866 21 HA ASP 4 HA ASP 4 6.258 -10.041 3.253 22 HB2 ASP 4 1HB ASP 4 6.904 -7.412 4.604 23 HB3 ASP 4 2HB ASP 4 7.222 -9.039 5.172 24 H TRP 5 H TRP 5 5.080 -6.810 2.374 25 HA TRP 5 HA TRP 5 2.726 -7.215 4.088 26 HB2 TRP 5 1HB TRP 5 3.135 -4.541 2.965 27 HB3 TRP 5 2HB TRP 5 2.684 -5.038 4.584 28 HD1 TRP 5 HD TRP 5 5.079 -6.279 5.900 29 HE1 TRP 5 1HE TRP 5 7.476 -5.208 6.168 30 HE3 TRP 5 3HE TRP 5 4.603 -2.965 2.072 31 HZ2 TRP 5 2HZ TRP 5 8.872 -3.141 4.781 32 HZ3 TRP 5 3HZ TRP 5 6.530 -1.457 1.596 33 HH2 TRP 5 HH TRP 5 8.610 -1.508 2.878 34 H PHE 6 H PHE 6 1.300 -5.087 2.528 35 HA PHE 6 HA PHE 6 -0.100 -4.955 0.831 36 HB2 PHE 6 1HB PHE 6 1.898 -4.604 -0.536 37 HB3 PHE 6 2HB PHE 6 2.350 -6.294 -0.430 38 HD1 PHE 6 2HD PHE 6 -0.459 -4.183 -1.701 39 HD2 PHE 6 1HD PHE 6 1.935 -7.643 -2.254 40 HE1 PHE 6 2HE PHE 6 -1.606 -4.627 -3.888 41 HE2 PHE 6 1HE PHE 6 0.787 -8.087 -4.442 42 HZ PHE 6 HZ PHE 6 -0.970 -6.574 -5.233 43 H THR 7 H THR 7 -1.980 -6.072 0.644 44 HA THR 7 HA THR 7 -1.767 -9.004 0.432 45 HB THR 7 HB THR 7 -4.032 -8.941 1.581 46 HG1 THR 7 1HG THR 7 -4.167 -6.566 0.755 47 HG21 THR 7 3HG2 THR 7 -3.157 -8.689 3.734 48 HG22 THR 7 1HG2 THR 7 -1.628 -8.798 2.831 49 HG23 THR 7 2HG2 THR 7 -2.269 -7.207 3.305 50 HA PRO 8 HA PRO 8 -3.500 -7.934 -3.484 51 HB2 PRO 8 1HB PRO 8 -2.457 -10.053 -4.859 52 HB3 PRO 8 2HB PRO 8 -1.634 -8.513 -4.702 53 HG2 PRO 8 1HG PRO 8 -1.064 -11.067 -3.327 54 HG3 PRO 8 2HG PRO 8 -0.028 -9.666 -3.515 55 HD2 PRO 8 1HD PRO 8 -1.466 -10.434 -1.155 56 HD3 PRO 8 2HD PRO 8 -0.524 -8.974 -1.379 57 H ASP 9 H ASP 9 -4.182 -10.129 -1.206 58 HA ASP 9 HA ASP 9 -5.997 -11.613 -2.881 59 HB2 ASP 9 1HB ASP 9 -4.569 -12.116 -0.460 60 HB3 ASP 9 2HB ASP 9 -6.264 -12.112 -0.016 61 H THR 10 H THR 10 -5.914 -8.652 -1.287 62 HA THR 10 HA THR 10 -8.818 -8.555 -1.125 63 HB THR 10 HB THR 10 -8.103 -9.223 1.158 64 HG1 THR 10 1HG THR 10 -9.771 -7.710 1.272 65 HG21 THR 10 3HG2 THR 10 -6.328 -8.277 2.270 66 HG22 THR 10 1HG2 THR 10 -5.811 -7.687 0.672 67 HG23 THR 10 2HG2 THR 10 -6.775 -6.638 1.738 68 H CYS 11 H CYS 11 -7.107 -7.565 -3.134 69 HA CYS 11 HA CYS 11 -7.662 -4.746 -2.763 70 HB2 CYS 11 1HB CYS 11 -5.130 -5.558 -2.262 71 HB3 CYS 11 2HB CYS 11 -5.026 -5.307 -3.993 72 H ALA 12 H ALA 12 -6.847 -3.716 -5.137 73 HA ALA 12 HA ALA 12 -8.314 -5.351 -7.051 74 HB1 ALA 12 3HB ALA 12 -7.997 -2.521 -6.473 75 HB2 ALA 12 1HB ALA 12 -7.613 -2.859 -8.178 76 HB3 ALA 12 2HB ALA 12 -9.193 -3.333 -7.511 77 H TYR 13 H TYR 13 -5.101 -3.925 -6.382 78 HA TYR 13 HA TYR 13 -4.091 -4.814 -8.946 79 HB2 TYR 13 1HB TYR 13 -3.125 -3.358 -6.432 80 HB3 TYR 13 2HB TYR 13 -1.938 -3.928 -7.588 81 HD1 TYR 13 2HD TYR 13 -5.245 -2.714 -8.679 82 HD2 TYR 13 1HD TYR 13 -1.129 -1.698 -8.106 83 HE1 TYR 13 2HE TYR 13 -5.567 -0.601 -10.057 84 HE2 TYR 13 1HE TYR 13 -1.465 0.411 -9.486 85 HH TYR 13 HH TYR 13 -4.575 1.541 -10.322 86 H GLY 14 H GLY 14 -2.515 -6.445 -9.256 87 HA2 GLY 14 1HA GLY 14 -2.456 -8.436 -7.092 88 HA3 GLY 14 2HA GLY 14 -2.176 -8.727 -8.797 89 H ASP 15 H ASP 15 -0.604 -5.854 -8.282 90 HA ASP 15 HA ASP 15 1.884 -7.278 -7.842 91 HB2 ASP 15 1HB ASP 15 1.440 -4.428 -8.843 92 HB3 ASP 15 2HB ASP 15 2.960 -5.301 -8.856 93 H SER 16 H SER 16 3.486 -6.315 -6.322 94 HA SER 16 HA SER 16 2.133 -4.860 -4.217 95 HB2 SER 16 1HB SER 16 4.068 -5.540 -2.814 96 HB3 SER 16 2HB SER 16 3.287 -6.921 -3.558 97 HG SER 16 HG SER 16 5.801 -6.589 -3.633 98 H ASN 17 H ASN 17 4.804 -4.669 -6.579 99 HA ASN 17 HA ASN 17 6.000 -2.406 -5.437 100 HB2 ASN 17 1HB ASN 17 6.869 -4.146 -7.260 101 HB3 ASN 17 2HB ASN 17 6.120 -3.052 -8.406 102 HD21 ASN 17 1HD2 ASN 17 6.917 -1.002 -8.724 103 HD22 ASN 17 2HD2 ASN 17 8.469 -0.477 -8.161 104 H THR 18 H THR 18 3.572 -3.033 -8.044 105 HA THR 18 HA THR 18 3.338 -0.263 -8.749 106 HB THR 18 HB THR 18 2.813 -2.702 -9.965 107 HG1 THR 18 1HG THR 18 2.787 -1.042 -11.426 108 HG21 THR 18 3HG2 THR 18 0.473 -2.984 -10.257 109 HG22 THR 18 1HG2 THR 18 0.594 -2.654 -8.512 110 HG23 THR 18 2HG2 THR 18 0.109 -1.358 -9.632 111 H ALA 19 H ALA 19 1.656 -2.547 -6.576 112 HA ALA 19 HA ALA 19 -0.606 -0.981 -6.128 113 HB1 ALA 19 3HB ALA 19 -0.531 -2.315 -3.879 114 HB2 ALA 19 1HB ALA 19 -0.715 -3.210 -5.407 115 HB3 ALA 19 2HB ALA 19 0.873 -3.133 -4.606 116 H TRP 20 H TRP 20 2.493 -1.236 -4.243 117 HA TRP 20 HA TRP 20 1.872 0.723 -2.387 118 HB2 TRP 20 1HB TRP 20 3.676 -0.739 -1.972 119 HB3 TRP 20 2HB TRP 20 4.478 -0.323 -3.474 120 HD1 TRP 20 HD TRP 20 5.094 2.598 -3.474 121 HE1 TRP 20 1HE TRP 20 6.375 3.965 -1.615 122 HE3 TRP 20 3HE TRP 20 4.222 -0.701 0.296 123 HZ2 TRP 20 2HZ TRP 20 6.868 3.524 1.161 124 HZ3 TRP 20 3HZ TRP 20 5.138 -0.157 2.550 125 HH2 TRP 20 HH TRP 20 6.421 1.871 3.012 126 H THR 21 H THR 21 3.637 0.924 -5.557 127 HA THR 21 HA THR 21 4.132 3.653 -5.501 128 HB THR 21 HB THR 21 4.042 1.417 -7.474 129 HG1 THR 21 1HG THR 21 6.083 2.055 -6.799 130 HG21 THR 21 3HG2 THR 21 2.951 2.783 -9.042 131 HG22 THR 21 1HG2 THR 21 3.447 4.285 -8.225 132 HG23 THR 21 2HG2 THR 21 4.617 3.385 -9.221 133 H THR 22 H THR 22 1.366 1.949 -7.124 134 HA THR 22 HA THR 22 0.047 4.288 -7.860 135 HB THR 22 HB THR 22 -0.858 1.423 -7.290 136 HG1 THR 22 1HG THR 22 -0.428 3.115 -9.652 137 HG21 THR 22 3HG2 THR 22 -2.350 3.646 -8.780 138 HG22 THR 22 1HG2 THR 22 -2.877 1.954 -8.608 139 HG23 THR 22 2HG2 THR 22 -2.826 3.019 -7.183 140 H CYS 23 H CYS 23 0.548 2.919 -4.719 141 HA CYS 23 HA CYS 23 -1.805 4.210 -3.646 142 HB2 CYS 23 1HB CYS 23 0.052 2.135 -2.780 143 HB3 CYS 23 2HB CYS 23 -0.254 3.313 -1.519 144 H THR 24 H THR 24 1.775 4.496 -3.800 145 HA THR 24 HA THR 24 1.763 6.825 -2.076 146 HB THR 24 HB THR 24 4.295 6.662 -2.849 147 HG1 THR 24 1HG THR 24 4.678 4.548 -3.780 148 HG21 THR 24 3HG2 THR 24 3.212 4.170 -1.467 149 HG22 THR 24 1HG2 THR 24 4.763 4.998 -1.188 150 HG23 THR 24 2HG2 THR 24 3.245 5.741 -0.630 151 H THR 25 H THR 25 0.023 7.571 -3.884 152 HA THR 25 HA THR 25 1.538 9.507 -5.456 153 HB THR 25 HB THR 25 -0.170 8.910 -7.372 154 HG1 THR 25 1HG THR 25 -1.026 6.790 -7.086 155 HG21 THR 25 3HG2 THR 25 2.429 7.850 -6.730 156 HG22 THR 25 1HG2 THR 25 1.427 6.490 -7.293 157 HG23 THR 25 2HG2 THR 25 1.651 7.920 -8.330 158 HA PRO 26 HA PRO 26 -1.588 12.148 -4.177 159 HB2 PRO 26 1HB PRO 26 -1.610 14.047 -6.142 160 HB3 PRO 26 2HB PRO 26 -0.415 14.008 -4.861 161 HG2 PRO 26 1HG PRO 26 -0.115 13.240 -7.700 162 HG3 PRO 26 2HG PRO 26 1.132 13.612 -6.525 163 HD2 PRO 26 1HD PRO 26 0.364 11.007 -7.447 164 HD3 PRO 26 2HD PRO 26 1.528 11.372 -6.190 165 H GLY 27 H GLY 27 -3.728 11.983 -3.963 166 HA2 GLY 27 1HA GLY 27 -5.386 12.085 -6.286 167 HA3 GLY 27 2HA GLY 27 -5.236 10.449 -5.676 168 H GLN 28 H GLN 28 -7.396 10.270 -4.932 169 HA GLN 28 HA GLN 28 -8.126 12.183 -2.865 170 HB2 GLN 28 1HB GLN 28 -10.459 11.285 -3.214 171 HB3 GLN 28 2HB GLN 28 -9.777 12.068 -4.626 172 HG2 GLN 28 1HG GLN 28 -9.371 9.998 -5.738 173 HG3 GLN 28 2HG GLN 28 -9.465 9.072 -4.253 174 HE21 GLN 28 1HE2 GLN 28 -11.035 7.685 -4.840 175 HE22 GLN 28 2HE2 GLN 28 -12.680 8.120 -5.164 176 H THR 29 H THR 29 -7.586 8.732 -3.607 177 HA THR 29 HA THR 29 -7.881 8.172 -0.728 178 HB THR 29 HB THR 29 -8.600 5.852 -1.545 179 HG1 THR 29 1HG THR 29 -8.417 5.634 -3.738 180 HG21 THR 29 3HG2 THR 29 -10.174 8.372 -2.134 181 HG22 THR 29 1HG2 THR 29 -10.805 6.815 -2.721 182 HG23 THR 29 2HG2 THR 29 -10.539 7.068 -0.979 183 H CYS 30 H CYS 30 -5.493 9.158 -1.436 184 HA CYS 30 HA CYS 30 -3.727 7.250 -2.485 185 HB2 CYS 30 1HB CYS 30 -2.963 9.422 -2.630 186 HB3 CYS 30 2HB CYS 30 -3.443 9.827 -0.994 187 H TYR 31 H TYR 31 -3.832 8.579 0.905 188 HA TYR 31 HA TYR 31 -2.517 6.312 1.964 189 HB2 TYR 31 1HB TYR 31 -2.320 8.380 3.167 190 HB3 TYR 31 2HB TYR 31 -3.992 8.813 2.869 191 HD1 TYR 31 1HD TYR 31 -1.820 6.553 4.885 192 HD2 TYR 31 2HD TYR 31 -5.673 8.368 4.480 193 HE1 TYR 31 1HE TYR 31 -2.448 5.757 7.216 194 HE2 TYR 31 2HE TYR 31 -6.288 7.566 6.813 195 HH TYR 31 HH TYR 31 -4.699 5.206 8.383 196 H THR 32 H THR 32 -5.816 6.940 1.067 197 HA THR 32 HA THR 32 -7.081 5.334 3.029 198 HB THR 32 HB THR 32 -7.813 6.426 0.274 199 HG1 THR 32 1HG THR 32 -9.139 7.722 1.778 200 HG21 THR 32 3HG2 THR 32 -10.158 5.795 0.806 201 HG22 THR 32 1HG2 THR 32 -9.152 4.333 0.673 202 HG23 THR 32 2HG2 THR 32 -9.608 4.957 2.277 203 H CYS 33 H CYS 33 -5.381 4.644 -0.003 204 HA CYS 33 HA CYS 33 -6.399 1.938 0.009 205 HB2 CYS 33 1HB CYS 33 -5.362 1.665 -2.089 206 HB3 CYS 33 2HB CYS 33 -6.125 3.243 -2.100 207 H CYS 34 H CYS 34 -3.849 3.853 1.349 208 HA CYS 34 HA CYS 34 -1.766 1.985 1.298 209 HB2 CYS 34 1HB CYS 34 -2.383 4.409 2.957 210 HB3 CYS 34 2HB CYS 34 -1.040 3.371 3.389 211 H SER 35 H SER 35 -4.833 1.952 2.795 212 HA SER 35 HA SER 35 -3.834 0.140 4.852 213 HB2 SER 35 1HB SER 35 -5.647 0.780 6.270 214 HB3 SER 35 2HB SER 35 -5.012 2.278 5.620 215 HG SER 35 HG SER 35 -6.817 2.603 4.446 216 H SER 36 H SER 36 -5.118 0.180 1.819 217 HA SER 36 HA SER 36 -6.952 -2.012 2.378 218 HB2 SER 36 1HB SER 36 -6.741 -0.024 0.099 219 HB3 SER 36 2HB SER 36 -7.595 -1.537 -0.128 220 HG SER 36 HG SER 36 -9.162 -0.940 1.306 221 H CYS 37 H CYS 37 -4.203 -0.897 0.315 222 HA CYS 37 HA CYS 37 -3.903 -3.588 -0.720 223 HB2 CYS 37 1HB CYS 37 -3.185 -0.916 -1.601 224 HB3 CYS 37 2HB CYS 37 -1.807 -1.997 -1.670 225 H PHE 38 H PHE 38 -3.528 -2.968 2.173 226 HA PHE 38 HA PHE 38 -0.925 -4.141 2.438 227 HB2 PHE 38 1HB PHE 38 -1.691 -1.348 3.466 228 HB3 PHE 38 2HB PHE 38 -0.340 -2.239 4.138 229 HD1 PHE 38 2HD PHE 38 1.270 -3.225 2.156 230 HD2 PHE 38 1HD PHE 38 -1.137 0.262 1.928 231 HE1 PHE 38 2HE PHE 38 2.767 -2.309 0.362 232 HE2 PHE 38 1HE PHE 38 0.360 1.178 0.134 233 HZ PHE 38 HZ PHE 38 2.294 -0.118 -0.628 234 H ASP 39 H ASP 39 -0.447 -4.346 4.976 235 HA ASP 39 HA ASP 39 -3.018 -5.040 6.163 236 HB2 ASP 39 1HB ASP 39 -1.690 -7.036 5.739 237 HB3 ASP 39 2HB ASP 39 -0.256 -6.301 6.427 238 H VAL 40 H VAL 40 -0.057 -5.405 8.019 239 HA VAL 40 HA VAL 40 -0.851 -3.153 9.687 240 HB VAL 40 HB VAL 40 0.461 -5.746 10.044 241 HG11 VAL 40 1HG1 VAL 40 1.666 -3.259 11.247 242 HG12 VAL 40 2HG1 VAL 40 1.701 -4.804 12.130 243 HG13 VAL 40 3HG1 VAL 40 2.474 -4.674 10.532 244 HG21 VAL 40 3HG2 VAL 40 -0.650 -5.707 12.146 245 HG22 VAL 40 1HG2 VAL 40 -0.827 -3.937 12.104 246 HG23 VAL 40 2HG2 VAL 40 -1.763 -4.951 10.981 247 H VAL 41 H VAL 41 2.293 -4.570 8.524 248 HA VAL 41 HA VAL 41 3.631 -2.101 8.839 249 HB VAL 41 HB VAL 41 4.381 -4.582 7.279 250 HG11 VAL 41 1HG1 VAL 41 5.689 -2.536 6.699 251 HG12 VAL 41 2HG1 VAL 41 6.178 -2.409 8.406 252 HG13 VAL 41 3HG1 VAL 41 6.670 -3.822 7.441 253 HG21 VAL 41 3HG2 VAL 41 4.598 -3.847 10.189 254 HG22 VAL 41 1HG2 VAL 41 4.098 -5.382 9.439 255 HG23 VAL 41 2HG2 VAL 41 5.815 -4.911 9.444 256 H GLY 42 H GLY 42 2.181 -3.864 6.042 257 HA2 GLY 42 1HA GLY 42 3.042 -2.342 3.946 258 HA3 GLY 42 2HA GLY 42 1.461 -3.089 4.054 259 H GLU 43 H GLU 43 0.614 -1.521 6.455 260 HA GLU 43 HA GLU 43 -0.191 0.805 4.990 261 HB2 GLU 43 1HB GLU 43 -1.736 -0.631 6.438 262 HB3 GLU 43 2HB GLU 43 -0.923 0.028 7.844 263 HG2 GLU 43 1HG GLU 43 -1.472 2.375 6.801 264 HG3 GLU 43 2HG GLU 43 -2.605 1.503 5.787 265 H GLN 44 H GLN 44 1.534 0.029 8.087 266 HA GLN 44 HA GLN 44 2.027 2.681 8.742 267 HB2 GLN 44 1HB GLN 44 3.302 1.823 10.511 268 HB3 GLN 44 2HB GLN 44 2.223 0.487 10.161 269 HG2 GLN 44 1HG GLN 44 4.206 -0.695 10.137 270 HG3 GLN 44 2HG GLN 44 4.209 -0.188 8.459 271 HE21 GLN 44 1HE2 GLN 44 5.604 0.183 11.597 272 HE22 GLN 44 2HE2 GLN 44 6.931 1.214 11.177 273 H ALA 45 H ALA 45 3.417 0.572 6.342 274 HA ALA 45 HA ALA 45 5.906 2.043 6.211 275 HB1 ALA 45 3HB ALA 45 4.745 -0.191 4.495 276 HB2 ALA 45 1HB ALA 45 6.406 0.442 4.392 277 HB3 ALA 45 2HB ALA 45 5.863 -0.397 5.865 278 H CYS 46 H CYS 46 2.782 1.711 4.466 279 HA CYS 46 HA CYS 46 3.615 3.407 2.343 280 HB2 CYS 46 1HB CYS 46 1.887 1.628 2.135 281 HB3 CYS 46 2HB CYS 46 0.819 2.579 3.148 282 H GLN 47 H GLN 47 2.079 3.715 5.542 283 HA GLN 47 HA GLN 47 0.885 6.155 5.260 284 HB2 GLN 47 1HB GLN 47 1.885 4.480 7.485 285 HB3 GLN 47 2HB GLN 47 1.855 6.190 7.868 286 HG2 GLN 47 1HG GLN 47 -0.592 5.654 6.495 287 HG3 GLN 47 2HG GLN 47 -0.376 4.331 7.624 288 HE21 GLN 47 1HE2 GLN 47 -1.610 4.725 9.301 289 HE22 GLN 47 2HE2 GLN 47 -1.685 6.192 10.220 290 H MET 48 H MET 48 4.300 5.359 6.168 291 HA MET 48 HA MET 48 5.034 8.033 6.530 292 HB2 MET 48 1HB MET 48 6.563 5.443 5.966 293 HB3 MET 48 2HB MET 48 7.407 6.961 6.203 294 HG2 MET 48 1HG MET 48 5.368 5.982 8.239 295 HG3 MET 48 2HG MET 48 7.024 5.411 8.284 296 HE1 MET 48 3HE MET 48 4.911 9.036 8.492 297 HE2 MET 48 1HE MET 48 4.594 7.542 9.406 298 HE3 MET 48 2HE MET 48 5.380 8.925 10.205 299 H SER 49 H SER 49 5.070 5.801 3.717 300 HA SER 49 HA SER 49 6.412 7.787 2.133 301 HB2 SER 49 1HB SER 49 5.573 4.920 1.759 302 HB3 SER 49 2HB SER 49 5.810 5.894 0.321 303 HG SER 49 HG SER 49 7.710 5.082 2.297 304 H ALA 50 H ALA 50 3.452 7.786 3.345 305 HA ALA 50 HA ALA 50 1.741 7.801 1.104 306 HB1 ALA 50 3HB ALA 50 0.145 8.811 2.683 307 HB2 ALA 50 1HB ALA 50 1.007 7.452 3.444 308 HB3 ALA 50 2HB ALA 50 1.467 9.127 3.833 309 H GLN 51 H GLN 51 3.270 9.057 -0.348 310 HA GLN 51 HA GLN 51 3.456 11.846 0.273 311 HB2 GLN 51 1HB GLN 51 4.772 9.962 -1.519 312 HB3 GLN 51 2HB GLN 51 4.277 11.388 -2.410 313 HG2 GLN 51 1HG GLN 51 6.500 11.809 -1.527 314 HG3 GLN 51 2HG GLN 51 5.378 12.825 -0.643 315 HE21 GLN 51 1HE2 GLN 51 6.548 13.020 1.189 316 HE22 GLN 51 2HE2 GLN 51 6.883 11.728 2.294 317 H CYS 52 H CYS 52 0.944 11.880 0.373 318 HA CYS 52 HA CYS 52 -0.211 12.007 -2.294 319 HB2 CYS 52 1HB CYS 52 -1.949 12.530 0.021 320 HB3 CYS 52 2HB CYS 52 -2.204 11.515 -1.384 Start of MODEL 15 1 H1 ASN 1 1H ASN 1 9.974 -3.317 0.775 2 HA ASN 1 HA ASN 1 9.866 -4.880 -1.297 3 HB2 ASN 1 1HB ASN 1 11.322 -6.351 0.879 4 HB3 ASN 1 2HB ASN 1 10.070 -7.267 0.064 5 HD21 ASN 1 1HD2 ASN 1 13.248 -6.562 0.063 6 HD22 ASN 1 2HD2 ASN 1 13.671 -6.838 -1.594 7 HA PRO 2 HA PRO 2 6.101 -4.800 1.125 8 HB2 PRO 2 1HB PRO 2 4.374 -4.489 -0.969 9 HB3 PRO 2 2HB PRO 2 5.120 -3.141 -0.134 10 HG2 PRO 2 1HG PRO 2 5.763 -4.258 -2.795 11 HG3 PRO 2 2HG PRO 2 6.184 -2.691 -2.131 12 HD2 PRO 2 1HD PRO 2 7.917 -4.960 -2.409 13 HD3 PRO 2 2HD PRO 2 8.304 -3.433 -1.640 14 H GLU 3 H GLU 3 7.477 -7.072 -0.718 15 HA GLU 3 HA GLU 3 5.410 -8.757 -1.336 16 HB2 GLU 3 1HB GLU 3 7.069 -10.426 -1.645 17 HB3 GLU 3 2HB GLU 3 7.910 -8.918 -1.944 18 HG2 GLU 3 1HG GLU 3 8.578 -8.974 0.567 19 HG3 GLU 3 2HG GLU 3 8.009 -10.631 0.573 20 H ASP 4 H ASP 4 7.160 -8.239 1.754 21 HA ASP 4 HA ASP 4 6.034 -10.468 3.023 22 HB2 ASP 4 1HB ASP 4 8.069 -8.779 3.613 23 HB3 ASP 4 2HB ASP 4 6.826 -8.020 4.587 24 H TRP 5 H TRP 5 4.982 -7.194 2.258 25 HA TRP 5 HA TRP 5 2.679 -7.510 4.061 26 HB2 TRP 5 1HB TRP 5 3.140 -4.829 3.014 27 HB3 TRP 5 2HB TRP 5 2.804 -5.368 4.647 28 HD1 TRP 5 HD TRP 5 5.300 -6.833 5.606 29 HE1 TRP 5 1HE TRP 5 7.729 -5.813 5.755 30 HE3 TRP 5 3HE TRP 5 4.519 -3.128 2.213 31 HZ2 TRP 5 2HZ TRP 5 9.022 -3.620 4.465 32 HZ3 TRP 5 3HZ TRP 5 6.416 -1.590 1.715 33 HH2 TRP 5 HH TRP 5 8.608 -1.791 2.779 34 H PHE 6 H PHE 6 1.302 -5.282 2.613 35 HA PHE 6 HA PHE 6 -0.143 -5.035 0.967 36 HB2 PHE 6 1HB PHE 6 1.761 -4.702 -0.495 37 HB3 PHE 6 2HB PHE 6 2.247 -6.381 -0.377 38 HD1 PHE 6 2HD PHE 6 -0.602 -4.320 -1.630 39 HD2 PHE 6 1HD PHE 6 1.787 -7.787 -2.151 40 HE1 PHE 6 2HE PHE 6 -1.793 -4.817 -3.783 41 HE2 PHE 6 1HE PHE 6 0.596 -8.284 -4.303 42 HZ PHE 6 HZ PHE 6 -1.179 -6.793 -5.094 43 H THR 7 H THR 7 -2.075 -6.049 0.690 44 HA THR 7 HA THR 7 -2.011 -8.990 0.544 45 HB THR 7 HB THR 7 -4.352 -8.742 1.525 46 HG1 THR 7 1HG THR 7 -4.323 -6.410 0.652 47 HG21 THR 7 3HG2 THR 7 -3.658 -8.141 3.781 48 HG22 THR 7 1HG2 THR 7 -2.282 -8.989 3.035 49 HG23 THR 7 2HG2 THR 7 -2.270 -7.213 3.164 50 HA PRO 8 HA PRO 8 -3.430 -8.070 -3.514 51 HB2 PRO 8 1HB PRO 8 -2.598 -10.410 -4.655 52 HB3 PRO 8 2HB PRO 8 -1.590 -8.980 -4.557 53 HG2 PRO 8 1HG PRO 8 -1.443 -11.464 -2.961 54 HG3 PRO 8 2HG PRO 8 -0.222 -10.227 -3.181 55 HD2 PRO 8 1HD PRO 8 -1.883 -10.609 -0.874 56 HD3 PRO 8 2HD PRO 8 -0.744 -9.304 -1.141 57 H ASP 9 H ASP 9 -4.420 -10.158 -1.170 58 HA ASP 9 HA ASP 9 -6.334 -11.483 -2.831 59 HB2 ASP 9 1HB ASP 9 -5.146 -11.921 -0.281 60 HB3 ASP 9 2HB ASP 9 -6.845 -11.649 0.047 61 H THR 10 H THR 10 -5.989 -8.467 -1.226 62 HA THR 10 HA THR 10 -8.837 -7.936 -1.515 63 HB THR 10 HB THR 10 -8.587 -8.692 0.838 64 HG1 THR 10 1HG THR 10 -9.835 -6.686 0.105 65 HG21 THR 10 3HG2 THR 10 -6.819 -8.090 2.157 66 HG22 THR 10 1HG2 THR 10 -6.058 -7.403 0.702 67 HG23 THR 10 2HG2 THR 10 -7.051 -6.370 1.759 68 H CYS 11 H CYS 11 -6.788 -7.206 -3.258 69 HA CYS 11 HA CYS 11 -6.771 -4.332 -2.747 70 HB2 CYS 11 1HB CYS 11 -4.557 -5.088 -2.158 71 HB3 CYS 11 2HB CYS 11 -4.407 -5.983 -3.657 72 H ALA 12 H ALA 12 -6.476 -3.101 -4.873 73 HA ALA 12 HA ALA 12 -8.187 -4.219 -6.831 74 HB1 ALA 12 3HB ALA 12 -6.683 -1.680 -6.363 75 HB2 ALA 12 1HB ALA 12 -7.136 -2.047 -8.045 76 HB3 ALA 12 2HB ALA 12 -8.393 -1.935 -6.789 77 H TYR 13 H TYR 13 -4.630 -3.591 -6.612 78 HA TYR 13 HA TYR 13 -4.290 -5.010 -9.144 79 HB2 TYR 13 1HB TYR 13 -2.308 -3.578 -7.272 80 HB3 TYR 13 2HB TYR 13 -2.007 -4.005 -8.945 81 HD1 TYR 13 2HD TYR 13 -3.726 -2.939 -10.689 82 HD2 TYR 13 1HD TYR 13 -2.934 -1.394 -6.779 83 HE1 TYR 13 2HE TYR 13 -4.562 -0.650 -11.416 84 HE2 TYR 13 1HE TYR 13 -3.772 0.890 -7.519 85 HH TYR 13 HH TYR 13 -4.700 2.038 -9.098 86 H GLY 14 H GLY 14 -2.539 -6.651 -9.310 87 HA2 GLY 14 1HA GLY 14 -2.513 -8.319 -6.887 88 HA3 GLY 14 2HA GLY 14 -2.263 -8.857 -8.536 89 H ASP 15 H ASP 15 -0.657 -5.881 -8.103 90 HA ASP 15 HA ASP 15 1.823 -7.338 -7.656 91 HB2 ASP 15 1HB ASP 15 1.622 -4.526 -8.782 92 HB3 ASP 15 2HB ASP 15 2.934 -5.672 -8.967 93 H SER 16 H SER 16 3.290 -6.526 -6.032 94 HA SER 16 HA SER 16 2.026 -4.828 -4.106 95 HB2 SER 16 1HB SER 16 4.101 -5.346 -2.751 96 HB3 SER 16 2HB SER 16 3.184 -6.756 -3.240 97 HG SER 16 HG SER 16 5.127 -6.012 -5.114 98 H ASN 17 H ASN 17 4.670 -4.742 -6.508 99 HA ASN 17 HA ASN 17 5.909 -2.450 -5.548 100 HB2 ASN 17 1HB ASN 17 6.210 -4.252 -7.736 101 HB3 ASN 17 2HB ASN 17 6.003 -2.678 -8.477 102 HD21 ASN 17 1HD2 ASN 17 7.585 -1.210 -8.416 103 HD22 ASN 17 2HD2 ASN 17 9.123 -1.412 -7.644 104 H THR 18 H THR 18 3.499 -3.025 -8.224 105 HA THR 18 HA THR 18 3.152 -0.267 -8.790 106 HB THR 18 HB THR 18 2.663 -2.591 -10.111 107 HG1 THR 18 1HG THR 18 1.809 -1.069 -11.544 108 HG21 THR 18 3HG2 THR 18 0.603 -2.850 -8.407 109 HG22 THR 18 1HG2 THR 18 -0.143 -1.646 -9.486 110 HG23 THR 18 2HG2 THR 18 0.394 -3.214 -10.136 111 H ALA 19 H ALA 19 1.639 -2.554 -6.522 112 HA ALA 19 HA ALA 19 -0.647 -1.040 -5.985 113 HB1 ALA 19 3HB ALA 19 -0.411 -2.356 -3.726 114 HB2 ALA 19 1HB ALA 19 -0.691 -3.255 -5.236 115 HB3 ALA 19 2HB ALA 19 0.947 -3.162 -4.547 116 H TRP 20 H TRP 20 2.504 -1.256 -4.175 117 HA TRP 20 HA TRP 20 1.924 0.739 -2.349 118 HB2 TRP 20 1HB TRP 20 3.743 -0.767 -2.006 119 HB3 TRP 20 2HB TRP 20 4.539 -0.255 -3.482 120 HD1 TRP 20 HD TRP 20 5.124 2.652 -3.349 121 HE1 TRP 20 1HE TRP 20 6.340 3.971 -1.414 122 HE3 TRP 20 3HE TRP 20 4.209 -0.788 0.283 123 HZ2 TRP 20 2HZ TRP 20 6.773 3.440 1.356 124 HZ3 TRP 20 3HZ TRP 20 5.063 -0.310 2.576 125 HH2 TRP 20 HH TRP 20 6.306 1.718 3.139 126 H THR 21 H THR 21 3.644 0.888 -5.548 127 HA THR 21 HA THR 21 4.126 3.619 -5.549 128 HB THR 21 HB THR 21 3.988 1.355 -7.500 129 HG1 THR 21 1HG THR 21 6.122 2.143 -7.689 130 HG21 THR 21 3HG2 THR 21 3.476 4.239 -8.253 131 HG22 THR 21 1HG2 THR 21 4.614 3.303 -9.250 132 HG23 THR 21 2HG2 THR 21 2.932 2.752 -9.066 133 H THR 22 H THR 22 1.371 1.895 -7.173 134 HA THR 22 HA THR 22 0.027 4.205 -7.912 135 HB THR 22 HB THR 22 -1.006 1.409 -7.198 136 HG1 THR 22 1HG THR 22 0.579 1.393 -8.882 137 HG21 THR 22 3HG2 THR 22 -2.175 3.707 -8.846 138 HG22 THR 22 1HG2 THR 22 -2.706 2.018 -9.028 139 HG23 THR 22 2HG2 THR 22 -2.942 2.863 -7.479 140 H CYS 23 H CYS 23 0.554 2.891 -4.749 141 HA CYS 23 HA CYS 23 -1.795 4.173 -3.672 142 HB2 CYS 23 1HB CYS 23 0.158 2.195 -2.765 143 HB3 CYS 23 2HB CYS 23 -0.212 3.390 -1.538 144 H THR 24 H THR 24 1.779 4.542 -3.874 145 HA THR 24 HA THR 24 1.722 6.930 -2.236 146 HB THR 24 HB THR 24 4.224 6.830 -2.808 147 HG1 THR 24 1HG THR 24 3.707 5.641 -4.863 148 HG21 THR 24 3HG2 THR 24 4.691 5.007 -1.362 149 HG22 THR 24 1HG2 THR 24 3.040 5.454 -0.872 150 HG23 THR 24 2HG2 THR 24 3.301 4.065 -1.952 151 H THR 25 H THR 25 -0.021 7.721 -3.917 152 HA THR 25 HA THR 25 1.397 9.632 -5.557 153 HB THR 25 HB THR 25 -0.104 8.910 -7.560 154 HG1 THR 25 1HG THR 25 -0.765 6.637 -7.293 155 HG21 THR 25 3HG2 THR 25 2.375 8.358 -7.451 156 HG22 THR 25 1HG2 THR 25 1.953 6.855 -6.596 157 HG23 THR 25 2HG2 THR 25 1.414 7.106 -8.274 158 HA PRO 26 HA PRO 26 -1.965 12.035 -4.410 159 HB2 PRO 26 1HB PRO 26 -1.966 13.976 -6.334 160 HB3 PRO 26 2HB PRO 26 -0.866 13.979 -4.970 161 HG2 PRO 26 1HG PRO 26 -0.315 13.301 -7.794 162 HG3 PRO 26 2HG PRO 26 0.818 13.720 -6.525 163 HD2 PRO 26 1HD PRO 26 0.285 11.095 -7.552 164 HD3 PRO 26 2HD PRO 26 1.331 11.502 -6.205 165 H GLY 27 H GLY 27 -4.013 11.390 -4.324 166 HA2 GLY 27 1HA GLY 27 -5.547 11.560 -6.770 167 HA3 GLY 27 2HA GLY 27 -5.303 9.926 -6.184 168 H GLN 28 H GLN 28 -7.175 9.273 -5.202 169 HA GLN 28 HA GLN 28 -8.402 11.207 -3.397 170 HB2 GLN 28 1HB GLN 28 -9.583 8.975 -5.083 171 HB3 GLN 28 2HB GLN 28 -10.462 9.633 -3.717 172 HG2 GLN 28 1HG GLN 28 -9.527 11.906 -5.132 173 HG3 GLN 28 2HG GLN 28 -10.046 10.788 -6.378 174 HE21 GLN 28 1HE2 GLN 28 -10.985 13.135 -4.217 175 HE22 GLN 28 2HE2 GLN 28 -12.700 12.892 -4.203 176 H THR 29 H THR 29 -7.047 7.956 -3.810 177 HA THR 29 HA THR 29 -7.371 7.550 -0.913 178 HB THR 29 HB THR 29 -7.638 5.077 -1.534 179 HG1 THR 29 1HG THR 29 -7.962 4.714 -3.793 180 HG21 THR 29 3HG2 THR 29 -9.832 6.370 -3.082 181 HG22 THR 29 1HG2 THR 29 -9.931 5.292 -1.668 182 HG23 THR 29 2HG2 THR 29 -9.611 7.028 -1.443 183 H CYS 30 H CYS 30 -5.197 8.868 -1.490 184 HA CYS 30 HA CYS 30 -3.081 7.269 -2.450 185 HB2 CYS 30 1HB CYS 30 -2.928 9.641 -2.642 186 HB3 CYS 30 2HB CYS 30 -3.165 9.870 -0.921 187 H TYR 31 H TYR 31 -4.476 8.097 0.764 188 HA TYR 31 HA TYR 31 -2.543 6.267 2.005 189 HB2 TYR 31 1HB TYR 31 -2.508 8.423 3.080 190 HB3 TYR 31 2HB TYR 31 -4.213 8.696 2.781 191 HD1 TYR 31 1HD TYR 31 -1.895 6.580 4.817 192 HD2 TYR 31 2HD TYR 31 -5.784 8.332 4.486 193 HE1 TYR 31 1HE TYR 31 -2.437 5.843 7.189 194 HE2 TYR 31 2HE TYR 31 -6.312 7.589 6.859 195 HH TYR 31 HH TYR 31 -5.630 6.516 8.600 196 H THR 32 H THR 32 -5.920 6.786 1.170 197 HA THR 32 HA THR 32 -7.054 5.100 3.134 198 HB THR 32 HB THR 32 -7.925 6.145 0.397 199 HG1 THR 32 1HG THR 32 -7.621 7.482 2.447 200 HG21 THR 32 3HG2 THR 32 -10.229 5.540 1.825 201 HG22 THR 32 1HG2 THR 32 -9.585 4.545 0.497 202 HG23 THR 32 2HG2 THR 32 -9.201 4.131 2.185 203 H CYS 33 H CYS 33 -5.386 4.502 0.073 204 HA CYS 33 HA CYS 33 -6.337 1.781 0.011 205 HB2 CYS 33 1HB CYS 33 -5.210 1.571 -2.052 206 HB3 CYS 33 2HB CYS 33 -6.008 3.131 -2.055 207 H CYS 34 H CYS 34 -3.786 3.713 1.392 208 HA CYS 34 HA CYS 34 -1.736 1.811 1.411 209 HB2 CYS 34 1HB CYS 34 -2.324 4.225 3.117 210 HB3 CYS 34 2HB CYS 34 -0.926 3.207 3.404 211 H SER 35 H SER 35 -4.821 1.888 2.888 212 HA SER 35 HA SER 35 -3.883 0.092 4.987 213 HB2 SER 35 1HB SER 35 -5.853 0.735 6.292 214 HB3 SER 35 2HB SER 35 -4.957 2.171 5.837 215 HG SER 35 HG SER 35 -6.913 2.812 5.179 216 H SER 36 H SER 36 -5.117 0.081 1.939 217 HA SER 36 HA SER 36 -6.975 -2.087 2.529 218 HB2 SER 36 1HB SER 36 -7.416 0.176 1.015 219 HB3 SER 36 2HB SER 36 -6.920 -0.959 -0.225 220 HG SER 36 HG SER 36 -9.125 -1.196 1.624 221 H CYS 37 H CYS 37 -4.226 -0.975 0.476 222 HA CYS 37 HA CYS 37 -3.949 -3.665 -0.580 223 HB2 CYS 37 1HB CYS 37 -2.696 -1.017 -1.283 224 HB3 CYS 37 2HB CYS 37 -2.051 -2.529 -1.888 225 H PHE 38 H PHE 38 -3.513 -2.928 2.316 226 HA PHE 38 HA PHE 38 -0.937 -4.165 2.565 227 HB2 PHE 38 1HB PHE 38 -1.605 -1.314 3.499 228 HB3 PHE 38 2HB PHE 38 -0.262 -2.215 4.175 229 HD1 PHE 38 1HD PHE 38 0.866 -3.518 1.787 230 HD2 PHE 38 2HD PHE 38 -0.639 0.417 2.294 231 HE1 PHE 38 1HE PHE 38 2.343 -2.713 -0.076 232 HE2 PHE 38 2HE PHE 38 0.837 1.222 0.431 233 HZ PHE 38 HZ PHE 38 2.311 -0.353 -0.732 234 H ASP 39 H ASP 39 -0.418 -4.506 4.998 235 HA ASP 39 HA ASP 39 -2.970 -5.013 6.303 236 HB2 ASP 39 1HB ASP 39 -1.695 -7.049 5.908 237 HB3 ASP 39 2HB ASP 39 -0.230 -6.326 6.543 238 H VAL 40 H VAL 40 0.021 -5.392 8.107 239 HA VAL 40 HA VAL 40 -0.682 -3.066 9.716 240 HB VAL 40 HB VAL 40 -0.386 -5.372 10.675 241 HG11 VAL 40 1HG1 VAL 40 2.567 -4.847 10.206 242 HG12 VAL 40 2HG1 VAL 40 1.837 -6.259 11.006 243 HG13 VAL 40 3HG1 VAL 40 1.581 -5.991 9.264 244 HG21 VAL 40 3HG2 VAL 40 1.286 -3.053 11.678 245 HG22 VAL 40 1HG2 VAL 40 -0.356 -3.527 12.176 246 HG23 VAL 40 2HG2 VAL 40 1.035 -4.549 12.611 247 H VAL 41 H VAL 41 2.160 -4.584 8.048 248 HA VAL 41 HA VAL 41 3.828 -2.347 8.530 249 HB VAL 41 HB VAL 41 4.109 -4.477 6.407 250 HG11 VAL 41 1HG1 VAL 41 5.743 -2.778 6.103 251 HG12 VAL 41 2HG1 VAL 41 6.063 -2.668 7.851 252 HG13 VAL 41 3HG1 VAL 41 6.568 -4.113 6.943 253 HG21 VAL 41 3HG2 VAL 41 3.867 -5.874 8.203 254 HG22 VAL 41 1HG2 VAL 41 5.594 -5.483 8.383 255 HG23 VAL 41 2HG2 VAL 41 4.382 -4.641 9.378 256 H GLY 42 H GLY 42 2.625 -3.635 5.350 257 HA2 GLY 42 1HA GLY 42 3.139 -1.633 3.690 258 HA3 GLY 42 2HA GLY 42 1.618 -2.503 3.645 259 H GLU 43 H GLU 43 0.728 -1.523 6.339 260 HA GLU 43 HA GLU 43 -0.468 0.853 5.399 261 HB2 GLU 43 1HB GLU 43 -1.149 -1.080 7.238 262 HB3 GLU 43 2HB GLU 43 -0.658 0.221 8.303 263 HG2 GLU 43 1HG GLU 43 -2.391 1.622 7.636 264 HG3 GLU 43 2HG GLU 43 -2.425 0.990 6.002 265 H GLN 44 H GLN 44 1.594 0.171 8.328 266 HA GLN 44 HA GLN 44 2.045 2.898 8.772 267 HB2 GLN 44 1HB GLN 44 3.340 2.203 10.613 268 HB3 GLN 44 2HB GLN 44 2.198 0.887 10.419 269 HG2 GLN 44 1HG GLN 44 3.881 -0.422 9.144 270 HG3 GLN 44 2HG GLN 44 5.019 0.907 9.245 271 HE21 GLN 44 1HE2 GLN 44 6.591 0.131 10.470 272 HE22 GLN 44 2HE2 GLN 44 6.430 -0.487 12.080 273 H ALA 45 H ALA 45 3.338 0.649 6.499 274 HA ALA 45 HA ALA 45 5.911 1.950 6.304 275 HB1 ALA 45 3HB ALA 45 5.667 -0.493 6.000 276 HB2 ALA 45 1HB ALA 45 4.584 -0.211 4.617 277 HB3 ALA 45 2HB ALA 45 6.290 0.286 4.526 278 H CYS 46 H CYS 46 2.794 1.720 4.500 279 HA CYS 46 HA CYS 46 3.725 3.387 2.401 280 HB2 CYS 46 1HB CYS 46 1.978 1.712 2.061 281 HB3 CYS 46 2HB CYS 46 0.922 2.553 3.178 282 H GLN 47 H GLN 47 2.050 3.757 5.537 283 HA GLN 47 HA GLN 47 0.997 6.252 5.209 284 HB2 GLN 47 1HB GLN 47 1.860 4.560 7.497 285 HB3 GLN 47 2HB GLN 47 1.787 6.274 7.854 286 HG2 GLN 47 1HG GLN 47 -0.384 5.020 8.270 287 HG3 GLN 47 2HG GLN 47 -0.542 6.412 7.218 288 HE21 GLN 47 1HE2 GLN 47 -1.318 3.242 7.632 289 HE22 GLN 47 2HE2 GLN 47 -1.692 2.771 6.008 290 H MET 48 H MET 48 4.361 5.244 5.939 291 HA MET 48 HA MET 48 5.206 7.894 6.472 292 HB2 MET 48 1HB MET 48 6.717 5.304 5.819 293 HB3 MET 48 2HB MET 48 7.511 6.779 6.336 294 HG2 MET 48 1HG MET 48 5.262 5.907 8.093 295 HG3 MET 48 2HG MET 48 6.620 4.800 8.049 296 HE1 MET 48 3HE MET 48 9.284 6.577 7.768 297 HE2 MET 48 1HE MET 48 9.536 6.621 9.530 298 HE3 MET 48 2HE MET 48 8.848 5.169 8.766 299 H SER 49 H SER 49 4.713 5.935 3.606 300 HA SER 49 HA SER 49 6.495 7.569 2.049 301 HB2 SER 49 1HB SER 49 5.402 4.931 1.833 302 HB3 SER 49 2HB SER 49 4.818 5.831 0.447 303 HG SER 49 HG SER 49 7.599 5.749 1.252 304 H ALA 50 H ALA 50 3.079 7.253 2.892 305 HA ALA 50 HA ALA 50 1.778 8.349 0.783 306 HB1 ALA 50 3HB ALA 50 0.044 8.667 2.275 307 HB2 ALA 50 1HB ALA 50 1.072 7.584 3.244 308 HB3 ALA 50 2HB ALA 50 1.106 9.339 3.535 309 H GLN 51 H GLN 51 2.640 9.979 -0.456 310 HA GLN 51 HA GLN 51 3.332 12.403 1.016 311 HB2 GLN 51 1HB GLN 51 5.275 11.287 -0.123 312 HB3 GLN 51 2HB GLN 51 4.457 11.468 -1.662 313 HG2 GLN 51 1HG GLN 51 4.312 14.028 -0.989 314 HG3 GLN 51 2HG GLN 51 5.594 13.627 0.136 315 HE21 GLN 51 1HE2 GLN 51 7.295 14.591 -0.753 316 HE22 GLN 51 2HE2 GLN 51 7.944 14.268 -2.327 317 H CYS 52 H CYS 52 0.703 12.196 0.601 318 HA CYS 52 HA CYS 52 0.275 13.982 -1.664 319 HB2 CYS 52 1HB CYS 52 -1.858 11.987 -1.100 320 HB3 CYS 52 2HB CYS 52 -1.440 12.803 -2.594 Start of MODEL 16 1 H1 ASN 1 1H ASN 1 10.103 -5.570 2.643 2 HA ASN 1 HA ASN 1 9.910 -3.942 0.398 3 HB2 ASN 1 1HB ASN 1 10.830 -6.673 -0.104 4 HB3 ASN 1 2HB ASN 1 9.249 -6.449 -0.825 5 HD21 ASN 1 1HD2 ASN 1 10.924 -6.880 -2.647 6 HD22 ASN 1 2HD2 ASN 1 11.520 -5.478 -3.470 7 HA PRO 2 HA PRO 2 5.696 -4.883 1.208 8 HB2 PRO 2 1HB PRO 2 4.424 -4.843 -1.210 9 HB3 PRO 2 2HB PRO 2 4.886 -3.390 -0.347 10 HG2 PRO 2 1HG PRO 2 6.142 -4.610 -2.729 11 HG3 PRO 2 2HG PRO 2 6.308 -2.976 -2.116 12 HD2 PRO 2 1HD PRO 2 8.213 -5.106 -1.862 13 HD3 PRO 2 2HD PRO 2 8.326 -3.509 -1.151 14 H GLU 3 H GLU 3 7.575 -7.139 -0.151 15 HA GLU 3 HA GLU 3 5.749 -9.021 -0.998 16 HB2 GLU 3 1HB GLU 3 7.617 -10.667 -0.506 17 HB3 GLU 3 2HB GLU 3 8.082 -9.307 -1.509 18 HG2 GLU 3 1HG GLU 3 9.170 -8.185 0.338 19 HG3 GLU 3 2HG GLU 3 8.449 -9.266 1.515 20 H ASP 4 H ASP 4 6.980 -8.191 2.268 21 HA ASP 4 HA ASP 4 5.732 -10.440 3.457 22 HB2 ASP 4 1HB ASP 4 6.488 -7.954 5.000 23 HB3 ASP 4 2HB ASP 4 6.627 -9.630 5.490 24 H TRP 5 H TRP 5 4.998 -7.013 2.766 25 HA TRP 5 HA TRP 5 2.505 -7.220 4.291 26 HB2 TRP 5 1HB TRP 5 3.123 -4.634 3.095 27 HB3 TRP 5 2HB TRP 5 2.669 -5.046 4.737 28 HD1 TRP 5 HD TRP 5 5.038 -6.496 5.972 29 HE1 TRP 5 1HE TRP 5 7.492 -5.553 6.196 30 HE3 TRP 5 3HE TRP 5 4.622 -3.068 2.240 31 HZ2 TRP 5 2HZ TRP 5 8.951 -3.524 4.818 32 HZ3 TRP 5 3HZ TRP 5 6.608 -1.646 1.743 33 HH2 TRP 5 HH TRP 5 8.718 -1.832 2.963 34 H PHE 6 H PHE 6 1.288 -5.064 2.618 35 HA PHE 6 HA PHE 6 -0.049 -4.891 0.875 36 HB2 PHE 6 1HB PHE 6 2.002 -4.719 -0.443 37 HB3 PHE 6 2HB PHE 6 2.343 -6.428 -0.262 38 HD1 PHE 6 2HD PHE 6 -0.511 -4.377 -1.550 39 HD2 PHE 6 1HD PHE 6 2.124 -7.639 -2.198 40 HE1 PHE 6 2HE PHE 6 -1.617 -4.832 -3.756 41 HE2 PHE 6 1HE PHE 6 1.018 -8.094 -4.405 42 HZ PHE 6 HZ PHE 6 -0.839 -6.685 -5.158 43 H THR 7 H THR 7 -1.998 -5.884 0.714 44 HA THR 7 HA THR 7 -1.982 -8.826 0.552 45 HB THR 7 HB THR 7 -4.299 -8.528 1.636 46 HG1 THR 7 1HG THR 7 -4.860 -6.391 1.720 47 HG21 THR 7 3HG2 THR 7 -2.454 -7.111 3.509 48 HG22 THR 7 1HG2 THR 7 -3.384 -8.609 3.757 49 HG23 THR 7 2HG2 THR 7 -1.834 -8.658 2.883 50 HA PRO 8 HA PRO 8 -3.607 -7.686 -3.395 51 HB2 PRO 8 1HB PRO 8 -2.652 -9.860 -4.749 52 HB3 PRO 8 2HB PRO 8 -1.759 -8.361 -4.593 53 HG2 PRO 8 1HG PRO 8 -1.324 -10.931 -3.199 54 HG3 PRO 8 2HG PRO 8 -0.221 -9.582 -3.383 55 HD2 PRO 8 1HD PRO 8 -1.716 -10.267 -1.033 56 HD3 PRO 8 2HD PRO 8 -0.703 -8.854 -1.257 57 H ASP 9 H ASP 9 -4.172 -10.194 -1.255 58 HA ASP 9 HA ASP 9 -6.042 -11.559 -2.859 59 HB2 ASP 9 1HB ASP 9 -4.789 -11.922 -0.349 60 HB3 ASP 9 2HB ASP 9 -6.489 -11.754 0.042 61 H THR 10 H THR 10 -6.016 -8.491 -1.413 62 HA THR 10 HA THR 10 -8.917 -8.312 -1.571 63 HB THR 10 HB THR 10 -8.370 -8.905 0.816 64 HG1 THR 10 1HG THR 10 -10.093 -7.346 0.136 65 HG21 THR 10 3HG2 THR 10 -7.350 -6.283 1.557 66 HG22 THR 10 1HG2 THR 10 -6.661 -7.881 1.933 67 HG23 THR 10 2HG2 THR 10 -6.214 -7.052 0.423 68 H CYS 11 H CYS 11 -6.944 -7.464 -3.415 69 HA CYS 11 HA CYS 11 -7.516 -4.638 -3.302 70 HB2 CYS 11 1HB CYS 11 -5.096 -5.402 -2.328 71 HB3 CYS 11 2HB CYS 11 -4.706 -5.198 -4.024 72 H ALA 12 H ALA 12 -6.952 -3.634 -5.519 73 HA ALA 12 HA ALA 12 -7.500 -5.648 -7.561 74 HB1 ALA 12 3HB ALA 12 -7.736 -3.202 -8.778 75 HB2 ALA 12 1HB ALA 12 -9.070 -4.054 -7.964 76 HB3 ALA 12 2HB ALA 12 -8.157 -2.795 -7.097 77 H TYR 13 H TYR 13 -4.961 -6.000 -6.747 78 HA TYR 13 HA TYR 13 -3.463 -4.951 -9.009 79 HB2 TYR 13 1HB TYR 13 -2.529 -4.886 -6.075 80 HB3 TYR 13 2HB TYR 13 -1.650 -4.231 -7.442 81 HD1 TYR 13 1HD TYR 13 -4.833 -3.814 -5.523 82 HD2 TYR 13 2HD TYR 13 -1.906 -1.976 -8.045 83 HE1 TYR 13 1HE TYR 13 -5.921 -1.547 -5.146 84 HE2 TYR 13 2HE TYR 13 -3.004 0.285 -7.659 85 HH TYR 13 HH TYR 13 -5.941 0.547 -5.677 86 H GLY 14 H GLY 14 -1.818 -6.347 -9.717 87 HA2 GLY 14 1HA GLY 14 -1.904 -9.014 -8.494 88 HA3 GLY 14 2HA GLY 14 -1.350 -8.604 -10.106 89 H ASP 15 H ASP 15 0.225 -6.213 -9.110 90 HA ASP 15 HA ASP 15 2.459 -7.782 -8.123 91 HB2 ASP 15 1HB ASP 15 2.402 -4.995 -9.373 92 HB3 ASP 15 2HB ASP 15 3.853 -5.874 -8.934 93 H SER 16 H SER 16 3.811 -6.807 -6.367 94 HA SER 16 HA SER 16 2.154 -5.337 -4.544 95 HB2 SER 16 1HB SER 16 3.999 -5.781 -2.922 96 HB3 SER 16 2HB SER 16 3.405 -7.246 -3.677 97 HG SER 16 HG SER 16 5.268 -7.498 -4.802 98 H ASN 17 H ASN 17 5.115 -4.941 -6.524 99 HA ASN 17 HA ASN 17 5.989 -2.592 -5.349 100 HB2 ASN 17 1HB ASN 17 7.418 -3.901 -6.871 101 HB3 ASN 17 2HB ASN 17 6.293 -3.676 -8.196 102 HD21 ASN 17 1HD2 ASN 17 6.419 -1.936 -9.454 103 HD22 ASN 17 2HD2 ASN 17 7.504 -0.603 -9.242 104 H THR 18 H THR 18 3.709 -3.349 -8.045 105 HA THR 18 HA THR 18 3.335 -0.632 -8.820 106 HB THR 18 HB THR 18 2.980 -2.959 -10.082 107 HG1 THR 18 1HG THR 18 2.584 -0.933 -11.095 108 HG21 THR 18 3HG2 THR 18 0.131 -2.324 -9.203 109 HG22 THR 18 1HG2 THR 18 0.714 -3.741 -10.108 110 HG23 THR 18 2HG2 THR 18 1.088 -3.577 -8.375 111 H ALA 19 H ALA 19 1.631 -2.912 -6.626 112 HA ALA 19 HA ALA 19 -0.615 -1.361 -6.177 113 HB1 ALA 19 3HB ALA 19 0.894 -3.236 -4.310 114 HB2 ALA 19 1HB ALA 19 -0.778 -2.674 -4.074 115 HB3 ALA 19 2HB ALA 19 -0.373 -3.700 -5.472 116 H TRP 20 H TRP 20 2.465 -1.516 -4.245 117 HA TRP 20 HA TRP 20 1.822 0.501 -2.476 118 HB2 TRP 20 1HB TRP 20 3.661 -0.954 -2.066 119 HB3 TRP 20 2HB TRP 20 4.471 -0.470 -3.543 120 HD1 TRP 20 HD TRP 20 4.909 2.499 -3.453 121 HE1 TRP 20 1HE TRP 20 6.115 3.868 -1.547 122 HE3 TRP 20 3HE TRP 20 4.236 -0.980 0.193 123 HZ2 TRP 20 2HZ TRP 20 6.641 3.354 1.211 124 HZ3 TRP 20 3HZ TRP 20 5.126 -0.468 2.465 125 HH2 TRP 20 HH TRP 20 6.294 1.611 3.001 126 H THR 21 H THR 21 3.549 0.626 -5.669 127 HA THR 21 HA THR 21 4.018 3.359 -5.706 128 HB THR 21 HB THR 21 3.901 1.066 -7.615 129 HG1 THR 21 1HG THR 21 6.011 1.697 -7.413 130 HG21 THR 21 3HG2 THR 21 3.309 3.918 -8.428 131 HG22 THR 21 1HG2 THR 21 4.454 2.984 -9.420 132 HG23 THR 21 2HG2 THR 21 2.788 2.399 -9.198 133 H THR 22 H THR 22 1.196 1.550 -7.093 134 HA THR 22 HA THR 22 -0.147 3.886 -7.898 135 HB THR 22 HB THR 22 -1.234 1.110 -7.188 136 HG1 THR 22 1HG THR 22 -0.779 0.927 -9.589 137 HG21 THR 22 3HG2 THR 22 -2.810 1.660 -9.101 138 HG22 THR 22 1HG2 THR 22 -3.060 2.695 -7.674 139 HG23 THR 22 2HG2 THR 22 -2.176 3.323 -9.085 140 H CYS 23 H CYS 23 0.421 2.533 -4.760 141 HA CYS 23 HA CYS 23 -1.956 3.665 -3.624 142 HB2 CYS 23 1HB CYS 23 0.098 1.814 -2.813 143 HB3 CYS 23 2HB CYS 23 -0.088 3.060 -1.595 144 H THR 24 H THR 24 1.562 4.372 -3.936 145 HA THR 24 HA THR 24 1.304 6.788 -2.356 146 HB THR 24 HB THR 24 3.811 6.896 -3.066 147 HG1 THR 24 1HG THR 24 4.485 4.887 -4.072 148 HG21 THR 24 3HG2 THR 24 4.410 4.786 -1.717 149 HG22 THR 24 1HG2 THR 24 3.358 5.947 -0.871 150 HG23 THR 24 2HG2 THR 24 2.662 4.475 -1.591 151 H THR 25 H THR 25 -0.538 7.281 -4.100 152 HA THR 25 HA THR 25 0.767 9.114 -5.984 153 HB THR 25 HB THR 25 -1.031 8.406 -7.655 154 HG1 THR 25 1HG THR 25 -2.303 6.632 -6.992 155 HG21 THR 25 3HG2 THR 25 -0.085 5.877 -7.768 156 HG22 THR 25 1HG2 THR 25 0.922 7.259 -8.261 157 HG23 THR 25 2HG2 THR 25 1.121 6.545 -6.642 158 HA PRO 26 HA PRO 26 -2.097 11.949 -4.517 159 HB2 PRO 26 1HB PRO 26 -2.377 13.659 -6.630 160 HB3 PRO 26 2HB PRO 26 -1.009 13.703 -5.537 161 HG2 PRO 26 1HG PRO 26 -1.138 12.670 -8.304 162 HG3 PRO 26 2HG PRO 26 0.272 13.112 -7.362 163 HD2 PRO 26 1HD PRO 26 -0.661 10.456 -7.912 164 HD3 PRO 26 2HD PRO 26 0.680 10.903 -6.876 165 H GLY 27 H GLY 27 -4.191 11.902 -3.992 166 HA2 GLY 27 1HA GLY 27 -6.190 11.903 -5.989 167 HA3 GLY 27 2HA GLY 27 -5.943 10.268 -5.411 168 H GLN 28 H GLN 28 -8.145 10.354 -4.516 169 HA GLN 28 HA GLN 28 -8.410 12.152 -2.260 170 HB2 GLN 28 1HB GLN 28 -10.800 11.560 -2.317 171 HB3 GLN 28 2HB GLN 28 -10.263 12.087 -3.900 172 HG2 GLN 28 1HG GLN 28 -9.813 9.248 -3.753 173 HG3 GLN 28 2HG GLN 28 -11.431 9.547 -3.148 174 HE21 GLN 28 1HE2 GLN 28 -12.110 8.393 -5.043 175 HE22 GLN 28 2HE2 GLN 28 -12.282 9.207 -6.562 176 H THR 29 H THR 29 -7.493 8.935 -3.033 177 HA THR 29 HA THR 29 -7.809 8.183 -0.212 178 HB THR 29 HB THR 29 -8.416 5.868 -1.049 179 HG1 THR 29 1HG THR 29 -8.673 7.419 -3.527 180 HG21 THR 29 3HG2 THR 29 -10.183 7.842 -0.654 181 HG22 THR 29 1HG2 THR 29 -10.331 7.768 -2.427 182 HG23 THR 29 2HG2 THR 29 -10.694 6.330 -1.442 183 H CYS 30 H CYS 30 -5.530 9.411 -1.160 184 HA CYS 30 HA CYS 30 -3.670 7.622 -2.227 185 HB2 CYS 30 1HB CYS 30 -3.100 9.848 -2.456 186 HB3 CYS 30 2HB CYS 30 -3.517 10.248 -0.802 187 H TYR 31 H TYR 31 -4.016 8.918 1.166 188 HA TYR 31 HA TYR 31 -2.314 6.911 2.234 189 HB2 TYR 31 1HB TYR 31 -2.649 9.186 3.216 190 HB3 TYR 31 2HB TYR 31 -4.377 8.917 3.329 191 HD1 TYR 31 2HD TYR 31 -5.275 7.280 5.014 192 HD2 TYR 31 1HD TYR 31 -1.155 8.430 4.929 193 HE1 TYR 31 2HE TYR 31 -4.976 6.413 7.385 194 HE2 TYR 31 1HE TYR 31 -0.871 7.560 7.301 195 HH TYR 31 HH TYR 31 -3.627 6.138 9.041 196 H THR 32 H THR 32 -5.736 7.104 1.455 197 HA THR 32 HA THR 32 -6.622 5.184 3.353 198 HB THR 32 HB THR 32 -7.714 6.390 0.769 199 HG1 THR 32 1HG THR 32 -8.450 7.771 2.338 200 HG21 THR 32 3HG2 THR 32 -9.398 4.833 2.754 201 HG22 THR 32 1HG2 THR 32 -9.767 5.256 1.065 202 HG23 THR 32 2HG2 THR 32 -8.600 3.961 1.424 203 H CYS 33 H CYS 33 -5.415 5.010 -0.027 204 HA CYS 33 HA CYS 33 -6.043 2.288 -0.325 205 HB2 CYS 33 1HB CYS 33 -5.757 3.381 -2.328 206 HB3 CYS 33 2HB CYS 33 -4.348 4.269 -1.783 207 H CYS 34 H CYS 34 -3.481 4.123 1.263 208 HA CYS 34 HA CYS 34 -1.508 2.131 1.230 209 HB2 CYS 34 1HB CYS 34 -2.000 4.592 2.874 210 HB3 CYS 34 2HB CYS 34 -0.740 3.468 3.343 211 H SER 35 H SER 35 -4.600 2.269 2.651 212 HA SER 35 HA SER 35 -3.755 0.415 4.739 213 HB2 SER 35 1HB SER 35 -4.738 2.381 5.752 214 HB3 SER 35 2HB SER 35 -6.089 2.365 4.636 215 HG SER 35 HG SER 35 -6.765 1.481 6.638 216 H SER 36 H SER 36 -4.950 0.509 1.672 217 HA SER 36 HA SER 36 -6.928 -1.564 2.182 218 HB2 SER 36 1HB SER 36 -7.172 0.689 0.641 219 HB3 SER 36 2HB SER 36 -6.616 -0.448 -0.571 220 HG SER 36 HG SER 36 -8.399 -1.901 0.460 221 H CYS 37 H CYS 37 -4.037 -0.660 0.210 222 HA CYS 37 HA CYS 37 -3.864 -3.389 -0.755 223 HB2 CYS 37 1HB CYS 37 -2.932 -0.780 -1.659 224 HB3 CYS 37 2HB CYS 37 -1.654 -1.978 -1.692 225 H PHE 38 H PHE 38 -3.535 -2.674 2.137 226 HA PHE 38 HA PHE 38 -1.034 -4.019 2.526 227 HB2 PHE 38 1HB PHE 38 -1.614 -1.146 3.460 228 HB3 PHE 38 2HB PHE 38 -0.311 -2.107 4.130 229 HD1 PHE 38 1HD PHE 38 1.210 -3.227 2.155 230 HD2 PHE 38 2HD PHE 38 -0.993 0.389 1.870 231 HE1 PHE 38 1HE PHE 38 2.733 -2.444 0.319 232 HE2 PHE 38 2HE PHE 38 0.530 1.172 0.035 233 HZ PHE 38 HZ PHE 38 2.374 -0.253 -0.719 234 H ASP 39 H ASP 39 -0.639 -4.194 5.062 235 HA ASP 39 HA ASP 39 -3.280 -4.660 6.198 236 HB2 ASP 39 1HB ASP 39 -2.006 -6.726 5.925 237 HB3 ASP 39 2HB ASP 39 -0.588 -6.013 6.668 238 H VAL 40 H VAL 40 -0.455 -5.069 8.227 239 HA VAL 40 HA VAL 40 -1.168 -2.638 9.675 240 HB VAL 40 HB VAL 40 -1.153 -4.848 10.805 241 HG11 VAL 40 1HG1 VAL 40 0.791 -5.778 9.520 242 HG12 VAL 40 2HG1 VAL 40 1.863 -4.735 10.485 243 HG13 VAL 40 3HG1 VAL 40 0.903 -6.004 11.282 244 HG21 VAL 40 3HG2 VAL 40 0.227 -4.097 12.773 245 HG22 VAL 40 1HG2 VAL 40 0.797 -2.737 11.776 246 HG23 VAL 40 2HG2 VAL 40 -0.932 -2.889 12.168 247 H VAL 41 H VAL 41 1.772 -4.437 8.516 248 HA VAL 41 HA VAL 41 3.451 -2.190 8.958 249 HB VAL 41 HB VAL 41 3.858 -4.708 7.331 250 HG11 VAL 41 1HG1 VAL 41 5.827 -2.650 8.377 251 HG12 VAL 41 2HG1 VAL 41 6.287 -4.244 7.732 252 HG13 VAL 41 3HG1 VAL 41 5.484 -3.055 6.678 253 HG21 VAL 41 3HG2 VAL 41 3.672 -5.681 9.361 254 HG22 VAL 41 1HG2 VAL 41 5.312 -5.039 9.615 255 HG23 VAL 41 2HG2 VAL 41 3.901 -4.147 10.234 256 H GLY 42 H GLY 42 2.061 -3.772 5.998 257 HA2 GLY 42 1HA GLY 42 3.080 -2.176 4.046 258 HA3 GLY 42 2HA GLY 42 1.471 -2.870 4.017 259 H GLU 43 H GLU 43 0.583 -1.364 6.476 260 HA GLU 43 HA GLU 43 -0.147 1.011 5.067 261 HB2 GLU 43 1HB GLU 43 -1.660 -0.462 6.580 262 HB3 GLU 43 2HB GLU 43 -0.871 0.318 7.936 263 HG2 GLU 43 1HG GLU 43 -1.507 2.571 6.877 264 HG3 GLU 43 2HG GLU 43 -2.478 1.675 5.726 265 H GLN 44 H GLN 44 1.508 0.197 8.199 266 HA GLN 44 HA GLN 44 2.114 2.839 8.804 267 HB2 GLN 44 1HB GLN 44 3.351 1.960 10.610 268 HB3 GLN 44 2HB GLN 44 2.146 0.723 10.312 269 HG2 GLN 44 1HG GLN 44 3.915 -0.717 10.221 270 HG3 GLN 44 2HG GLN 44 4.161 -0.090 8.604 271 HE21 GLN 44 1HE2 GLN 44 6.042 0.756 8.132 272 HE22 GLN 44 2HE2 GLN 44 7.241 1.327 9.244 273 H ALA 45 H ALA 45 3.486 0.570 6.527 274 HA ALA 45 HA ALA 45 6.033 1.936 6.416 275 HB1 ALA 45 3HB ALA 45 5.097 -0.105 4.411 276 HB2 ALA 45 1HB ALA 45 6.717 0.145 5.105 277 HB3 ALA 45 2HB ALA 45 5.441 -0.624 6.078 278 H CYS 46 H CYS 46 2.964 1.638 4.561 279 HA CYS 46 HA CYS 46 3.924 3.208 2.404 280 HB2 CYS 46 1HB CYS 46 2.124 1.516 2.207 281 HB3 CYS 46 2HB CYS 46 1.079 2.532 3.181 282 H GLN 47 H GLN 47 2.420 3.748 5.571 283 HA GLN 47 HA GLN 47 1.292 6.201 5.177 284 HB2 GLN 47 1HB GLN 47 2.434 4.718 7.515 285 HB3 GLN 47 2HB GLN 47 2.184 6.438 7.739 286 HG2 GLN 47 1HG GLN 47 -0.196 5.840 6.583 287 HG3 GLN 47 2HG GLN 47 0.157 4.266 7.268 288 HE21 GLN 47 1HE2 GLN 47 -1.018 4.057 9.018 289 HE22 GLN 47 2HE2 GLN 47 -1.151 5.183 10.328 290 H MET 48 H MET 48 4.720 5.307 5.808 291 HA MET 48 HA MET 48 5.573 7.959 6.146 292 HB2 MET 48 1HB MET 48 6.885 5.273 5.573 293 HB3 MET 48 2HB MET 48 7.863 6.725 5.499 294 HG2 MET 48 1HG MET 48 6.130 6.518 7.921 295 HG3 MET 48 2HG MET 48 7.376 5.292 7.809 296 HE1 MET 48 3HE MET 48 7.725 6.676 10.145 297 HE2 MET 48 1HE MET 48 9.244 5.957 9.558 298 HE3 MET 48 2HE MET 48 9.230 7.627 10.176 299 H SER 49 H SER 49 5.241 5.761 3.335 300 HA SER 49 HA SER 49 6.664 7.519 1.620 301 HB2 SER 49 1HB SER 49 5.358 4.874 1.451 302 HB3 SER 49 2HB SER 49 5.158 5.821 -0.010 303 HG SER 49 HG SER 49 7.760 5.740 1.155 304 H ALA 50 H ALA 50 3.363 7.138 2.780 305 HA ALA 50 HA ALA 50 1.820 8.097 0.773 306 HB1 ALA 50 3HB ALA 50 1.220 7.366 3.166 307 HB2 ALA 50 1HB ALA 50 1.563 9.046 3.644 308 HB3 ALA 50 2HB ALA 50 0.269 8.701 2.471 309 H GLN 51 H GLN 51 2.518 9.674 -0.631 310 HA GLN 51 HA GLN 51 3.568 12.095 0.581 311 HB2 GLN 51 1HB GLN 51 4.833 10.855 -1.270 312 HB3 GLN 51 2HB GLN 51 3.558 11.339 -2.370 313 HG2 GLN 51 1HG GLN 51 4.007 13.771 -1.556 314 HG3 GLN 51 2HG GLN 51 5.474 13.141 -0.836 315 HE21 GLN 51 1HE2 GLN 51 3.656 13.433 -3.847 316 HE22 GLN 51 2HE2 GLN 51 5.002 13.393 -4.937 317 H CYS 52 H CYS 52 0.969 12.018 1.162 318 HA CYS 52 HA CYS 52 -0.265 13.691 -0.905 319 HB2 CYS 52 1HB CYS 52 -2.392 12.728 0.509 320 HB3 CYS 52 2HB CYS 52 -1.839 12.132 -1.043 Start of MODEL 17 1 H1 ASN 1 1H ASN 1 11.144 -4.957 2.059 2 HA ASN 1 HA ASN 1 9.926 -3.718 -0.246 3 HB2 ASN 1 1HB ASN 1 10.988 -6.459 0.442 4 HB3 ASN 1 2HB ASN 1 9.721 -6.380 -0.766 5 HD21 ASN 1 1HD2 ASN 1 11.554 -7.287 -2.030 6 HD22 ASN 1 2HD2 ASN 1 12.604 -6.192 -2.866 7 HA PRO 2 HA PRO 2 5.949 -4.682 1.352 8 HB2 PRO 2 1HB PRO 2 4.435 -4.416 -0.908 9 HB3 PRO 2 2HB PRO 2 4.951 -3.053 0.065 10 HG2 PRO 2 1HG PRO 2 5.984 -3.957 -2.553 11 HG3 PRO 2 2HG PRO 2 6.175 -2.397 -1.777 12 HD2 PRO 2 1HD PRO 2 8.142 -4.477 -1.959 13 HD3 PRO 2 2HD PRO 2 8.292 -2.966 -1.084 14 H GLU 3 H GLU 3 7.727 -6.706 -0.444 15 HA GLU 3 HA GLU 3 5.856 -8.544 -1.301 16 HB2 GLU 3 1HB GLU 3 7.710 -10.056 -1.561 17 HB3 GLU 3 2HB GLU 3 8.320 -8.448 -1.899 18 HG2 GLU 3 1HG GLU 3 9.214 -8.285 0.425 19 HG3 GLU 3 2HG GLU 3 8.577 -9.876 0.791 20 H ASP 4 H ASP 4 7.165 -7.830 1.906 21 HA ASP 4 HA ASP 4 6.216 -10.320 2.962 22 HB2 ASP 4 1HB ASP 4 7.046 -7.986 4.689 23 HB3 ASP 4 2HB ASP 4 7.305 -9.698 4.959 24 H TRP 5 H TRP 5 4.988 -7.212 2.167 25 HA TRP 5 HA TRP 5 2.745 -7.582 4.031 26 HB2 TRP 5 1HB TRP 5 3.200 -4.826 3.195 27 HB3 TRP 5 2HB TRP 5 2.839 -5.488 4.777 28 HD1 TRP 5 HD TRP 5 5.338 -7.019 5.650 29 HE1 TRP 5 1HE TRP 5 7.752 -5.991 5.928 30 HE3 TRP 5 3HE TRP 5 4.567 -3.040 2.579 31 HZ2 TRP 5 2HZ TRP 5 9.040 -3.681 4.856 32 HZ3 TRP 5 3HZ TRP 5 6.455 -1.446 2.249 33 HH2 TRP 5 HH TRP 5 8.631 -1.716 3.329 34 H PHE 6 H PHE 6 1.429 -5.213 2.696 35 HA PHE 6 HA PHE 6 0.030 -4.833 1.036 36 HB2 PHE 6 1HB PHE 6 1.920 -4.497 -0.417 37 HB3 PHE 6 2HB PHE 6 2.415 -6.174 -0.304 38 HD1 PHE 6 1HD PHE 6 -0.479 -4.166 -1.554 39 HD2 PHE 6 2HD PHE 6 2.057 -7.518 -2.140 40 HE1 PHE 6 1HE PHE 6 -1.623 -4.651 -3.735 41 HE2 PHE 6 2HE PHE 6 0.913 -8.002 -4.321 42 HZ PHE 6 HZ PHE 6 -0.914 -6.563 -5.093 43 H THR 7 H THR 7 -1.924 -5.740 0.542 44 HA THR 7 HA THR 7 -1.986 -8.681 0.381 45 HB THR 7 HB THR 7 -4.395 -8.297 1.190 46 HG1 THR 7 1HG THR 7 -4.565 -6.046 2.125 47 HG21 THR 7 3HG2 THR 7 -3.734 -8.339 3.406 48 HG22 THR 7 1HG2 THR 7 -2.097 -8.450 2.718 49 HG23 THR 7 2HG2 THR 7 -2.742 -6.871 3.229 50 HA PRO 8 HA PRO 8 -3.106 -7.654 -3.746 51 HB2 PRO 8 1HB PRO 8 -2.292 -10.009 -4.868 52 HB3 PRO 8 2HB PRO 8 -1.240 -8.620 -4.686 53 HG2 PRO 8 1HG PRO 8 -1.285 -11.128 -3.122 54 HG3 PRO 8 2HG PRO 8 -0.007 -9.935 -3.247 55 HD2 PRO 8 1HD PRO 8 -1.822 -10.282 -1.053 56 HD3 PRO 8 2HD PRO 8 -0.622 -9.018 -1.230 57 H ASP 9 H ASP 9 -4.422 -9.531 -1.465 58 HA ASP 9 HA ASP 9 -6.252 -10.823 -3.275 59 HB2 ASP 9 1HB ASP 9 -5.962 -10.845 -0.236 60 HB3 ASP 9 2HB ASP 9 -7.224 -11.720 -1.080 61 H THR 10 H THR 10 -5.852 -7.866 -1.561 62 HA THR 10 HA THR 10 -8.649 -7.183 -2.007 63 HB THR 10 HB THR 10 -8.604 -7.987 0.330 64 HG1 THR 10 1HG THR 10 -9.506 -6.022 1.055 65 HG21 THR 10 3HG2 THR 10 -6.866 -7.577 1.759 66 HG22 THR 10 1HG2 THR 10 -5.973 -6.905 0.373 67 HG23 THR 10 2HG2 THR 10 -6.940 -5.832 1.414 68 H CYS 11 H CYS 11 -6.490 -6.516 -3.624 69 HA CYS 11 HA CYS 11 -6.341 -3.661 -3.028 70 HB2 CYS 11 1HB CYS 11 -4.197 -4.752 -2.400 71 HB3 CYS 11 2HB CYS 11 -4.018 -5.306 -4.053 72 H ALA 12 H ALA 12 -5.685 -2.451 -5.163 73 HA ALA 12 HA ALA 12 -7.511 -3.188 -7.156 74 HB1 ALA 12 3HB ALA 12 -5.915 -1.402 -8.404 75 HB2 ALA 12 1HB ALA 12 -7.121 -0.929 -7.183 76 HB3 ALA 12 2HB ALA 12 -5.411 -1.110 -6.722 77 H TYR 13 H TYR 13 -4.029 -3.809 -6.643 78 HA TYR 13 HA TYR 13 -4.076 -5.418 -9.107 79 HB2 TYR 13 1HB TYR 13 -1.784 -3.951 -7.657 80 HB3 TYR 13 2HB TYR 13 -1.610 -4.828 -9.165 81 HD1 TYR 13 1HD TYR 13 -3.315 -3.995 -11.090 82 HD2 TYR 13 2HD TYR 13 -1.973 -1.643 -7.778 83 HE1 TYR 13 1HE TYR 13 -3.836 -1.868 -12.381 84 HE2 TYR 13 2HE TYR 13 -2.498 0.476 -9.080 85 HH TYR 13 HH TYR 13 -2.818 1.237 -11.222 86 H GLY 14 H GLY 14 -2.160 -7.118 -8.999 87 HA2 GLY 14 1HA GLY 14 -2.501 -8.524 -6.438 88 HA3 GLY 14 2HA GLY 14 -2.080 -9.239 -7.981 89 H ASP 15 H ASP 15 -0.308 -6.448 -8.005 90 HA ASP 15 HA ASP 15 1.990 -7.876 -6.974 91 HB2 ASP 15 1HB ASP 15 2.169 -5.211 -8.383 92 HB3 ASP 15 2HB ASP 15 3.308 -6.543 -8.406 93 H SER 16 H SER 16 3.443 -6.805 -5.429 94 HA SER 16 HA SER 16 2.043 -4.990 -3.732 95 HB2 SER 16 1HB SER 16 4.898 -5.521 -3.141 96 HB3 SER 16 2HB SER 16 3.493 -5.695 -2.109 97 HG SER 16 HG SER 16 4.862 -7.645 -3.340 98 H ASN 17 H ASN 17 4.541 -4.909 -6.232 99 HA ASN 17 HA ASN 17 5.678 -2.469 -5.455 100 HB2 ASN 17 1HB ASN 17 6.805 -4.095 -6.986 101 HB3 ASN 17 2HB ASN 17 5.560 -3.841 -8.193 102 HD21 ASN 17 1HD2 ASN 17 8.301 -3.456 -8.608 103 HD22 ASN 17 2HD2 ASN 17 8.610 -1.785 -8.943 104 H THR 18 H THR 18 3.603 -3.349 -8.332 105 HA THR 18 HA THR 18 2.976 -0.749 -9.069 106 HB THR 18 HB THR 18 2.628 -3.191 -10.154 107 HG1 THR 18 1HG THR 18 2.143 -1.512 -11.532 108 HG21 THR 18 3HG2 THR 18 0.761 -3.785 -8.519 109 HG22 THR 18 1HG2 THR 18 -0.165 -2.411 -9.170 110 HG23 THR 18 2HG2 THR 18 0.248 -3.786 -10.223 111 H ALA 19 H ALA 19 1.521 -2.867 -6.591 112 HA ALA 19 HA ALA 19 -0.786 -1.304 -6.213 113 HB1 ALA 19 3HB ALA 19 -0.740 -3.571 -5.439 114 HB2 ALA 19 1HB ALA 19 0.735 -3.286 -4.484 115 HB3 ALA 19 2HB ALA 19 -0.804 -2.545 -3.986 116 H TRP 20 H TRP 20 2.282 -1.532 -4.266 117 HA TRP 20 HA TRP 20 1.716 0.556 -2.559 118 HB2 TRP 20 1HB TRP 20 3.491 -0.941 -2.081 119 HB3 TRP 20 2HB TRP 20 4.318 -0.570 -3.581 120 HD1 TRP 20 HD TRP 20 4.968 2.338 -3.652 121 HE1 TRP 20 1HE TRP 20 6.226 3.748 -1.811 122 HE3 TRP 20 3HE TRP 20 3.987 -0.836 0.197 123 HZ2 TRP 20 2HZ TRP 20 6.660 3.387 0.986 124 HZ3 TRP 20 3HZ TRP 20 4.865 -0.233 2.451 125 HH2 TRP 20 HH TRP 20 6.160 1.795 2.878 126 H THR 21 H THR 21 3.195 0.499 -5.850 127 HA THR 21 HA THR 21 3.920 3.193 -5.956 128 HB THR 21 HB THR 21 3.458 0.901 -7.835 129 HG1 THR 21 1HG THR 21 5.633 1.755 -8.384 130 HG21 THR 21 3HG2 THR 21 4.207 2.782 -9.633 131 HG22 THR 21 1HG2 THR 21 2.495 2.359 -9.393 132 HG23 THR 21 2HG2 THR 21 3.173 3.804 -8.606 133 H THR 22 H THR 22 0.859 1.561 -6.996 134 HA THR 22 HA THR 22 -0.343 4.001 -7.796 135 HB THR 22 HB THR 22 -1.278 1.156 -7.225 136 HG1 THR 22 1HG THR 22 -0.016 1.937 -9.181 137 HG21 THR 22 3HG2 THR 22 -3.006 3.229 -8.606 138 HG22 THR 22 1HG2 THR 22 -3.490 1.687 -7.861 139 HG23 THR 22 2HG2 THR 22 -3.086 3.083 -6.834 140 H CYS 23 H CYS 23 0.276 2.557 -4.698 141 HA CYS 23 HA CYS 23 -1.934 3.871 -3.429 142 HB2 CYS 23 1HB CYS 23 -0.147 1.773 -2.782 143 HB3 CYS 23 2HB CYS 23 0.111 3.032 -1.590 144 H THR 24 H THR 24 1.623 4.270 -3.874 145 HA THR 24 HA THR 24 1.629 6.695 -2.286 146 HB THR 24 HB THR 24 4.116 6.578 -3.112 147 HG1 THR 24 1HG THR 24 4.484 4.291 -3.886 148 HG21 THR 24 3HG2 THR 24 3.169 4.031 -1.728 149 HG22 THR 24 1HG2 THR 24 4.703 4.903 -1.495 150 HG23 THR 24 2HG2 THR 24 3.184 5.592 -0.874 151 H THR 25 H THR 25 -0.233 7.258 -4.052 152 HA THR 25 HA THR 25 1.131 9.145 -5.815 153 HB THR 25 HB THR 25 -0.589 8.397 -7.623 154 HG1 THR 25 1HG THR 25 -1.575 6.401 -7.133 155 HG21 THR 25 3HG2 THR 25 0.733 6.140 -8.027 156 HG22 THR 25 1HG2 THR 25 1.616 7.681 -8.153 157 HG23 THR 25 2HG2 THR 25 1.747 6.698 -6.675 158 HA PRO 26 HA PRO 26 -2.008 11.767 -4.528 159 HB2 PRO 26 1HB PRO 26 -2.207 13.532 -6.605 160 HB3 PRO 26 2HB PRO 26 -0.941 13.613 -5.396 161 HG2 PRO 26 1HG PRO 26 -0.775 12.671 -8.194 162 HG3 PRO 26 2HG PRO 26 0.522 13.157 -7.120 163 HD2 PRO 26 1HD PRO 26 -0.206 10.474 -7.828 164 HD3 PRO 26 2HD PRO 26 1.014 10.957 -6.667 165 H GLY 27 H GLY 27 -4.127 11.558 -4.181 166 HA2 GLY 27 1HA GLY 27 -5.907 11.436 -6.416 167 HA3 GLY 27 2HA GLY 27 -5.680 9.863 -5.677 168 H GLN 28 H GLN 28 -7.756 9.660 -4.758 169 HA GLN 28 HA GLN 28 -8.462 11.751 -2.861 170 HB2 GLN 28 1HB GLN 28 -10.756 10.991 -3.058 171 HB3 GLN 28 2HB GLN 28 -10.112 11.190 -4.675 172 HG2 GLN 28 1HG GLN 28 -9.469 8.621 -4.440 173 HG3 GLN 28 2HG GLN 28 -10.674 8.623 -3.167 174 HE21 GLN 28 1HE2 GLN 28 -12.688 8.267 -3.703 175 HE22 GLN 28 2HE2 GLN 28 -13.399 8.433 -5.273 176 H THR 29 H THR 29 -7.758 8.280 -3.275 177 HA THR 29 HA THR 29 -7.875 8.008 -0.344 178 HB THR 29 HB THR 29 -8.420 5.517 -1.027 179 HG1 THR 29 1HG THR 29 -8.670 5.364 -3.220 180 HG21 THR 29 3HG2 THR 29 -10.883 6.193 -1.583 181 HG22 THR 29 1HG2 THR 29 -10.241 6.704 -0.004 182 HG23 THR 29 2HG2 THR 29 -10.334 7.870 -1.346 183 H CYS 30 H CYS 30 -5.584 9.013 -1.294 184 HA CYS 30 HA CYS 30 -3.787 7.110 -2.274 185 HB2 CYS 30 1HB CYS 30 -3.118 9.286 -2.617 186 HB3 CYS 30 2HB CYS 30 -3.558 9.804 -1.002 187 H TYR 31 H TYR 31 -3.931 8.638 1.035 188 HA TYR 31 HA TYR 31 -2.340 6.646 2.217 189 HB2 TYR 31 1HB TYR 31 -2.667 8.947 3.113 190 HB3 TYR 31 2HB TYR 31 -4.403 8.717 3.180 191 HD1 TYR 31 2HD TYR 31 -5.406 7.241 4.925 192 HD2 TYR 31 1HD TYR 31 -1.228 8.162 4.880 193 HE1 TYR 31 2HE TYR 31 -5.203 6.469 7.339 194 HE2 TYR 31 1HE TYR 31 -1.039 7.388 7.294 195 HH TYR 31 HH TYR 31 -2.535 5.607 8.735 196 H THR 32 H THR 32 -5.796 6.873 1.497 197 HA THR 32 HA THR 32 -6.592 4.915 3.420 198 HB THR 32 HB THR 32 -7.946 6.038 0.909 199 HG1 THR 32 1HG THR 32 -7.619 7.718 2.402 200 HG21 THR 32 3HG2 THR 32 -8.829 3.865 2.327 201 HG22 THR 32 1HG2 THR 32 -9.462 5.176 3.351 202 HG23 THR 32 2HG2 THR 32 -9.932 5.079 1.637 203 H CYS 33 H CYS 33 -5.688 4.880 -0.059 204 HA CYS 33 HA CYS 33 -6.466 2.310 -0.619 205 HB2 CYS 33 1HB CYS 33 -5.819 3.322 -2.519 206 HB3 CYS 33 2HB CYS 33 -4.558 4.255 -1.736 207 H CYS 34 H CYS 34 -3.553 3.616 1.037 208 HA CYS 34 HA CYS 34 -2.029 1.321 1.066 209 HB2 CYS 34 1HB CYS 34 -2.200 3.471 3.187 210 HB3 CYS 34 2HB CYS 34 -0.909 2.297 3.022 211 H SER 35 H SER 35 -4.803 2.410 3.061 212 HA SER 35 HA SER 35 -4.489 0.300 4.929 213 HB2 SER 35 1HB SER 35 -5.540 2.228 5.805 214 HB3 SER 35 2HB SER 35 -6.572 2.428 4.404 215 HG SER 35 HG SER 35 -8.038 1.455 5.635 216 H SER 36 H SER 36 -5.271 0.239 1.724 217 HA SER 36 HA SER 36 -7.018 -2.049 2.140 218 HB2 SER 36 1HB SER 36 -7.949 0.312 1.086 219 HB3 SER 36 2HB SER 36 -7.431 -0.503 -0.376 220 HG SER 36 HG SER 36 -8.760 -2.342 0.245 221 H CYS 37 H CYS 37 -4.013 -1.282 1.475 222 HA CYS 37 HA CYS 37 -3.793 -3.289 -0.618 223 HB2 CYS 37 1HB CYS 37 -2.798 -0.471 -0.784 224 HB3 CYS 37 2HB CYS 37 -1.834 -1.752 -1.491 225 H PHE 38 H PHE 38 -3.376 -2.737 2.457 226 HA PHE 38 HA PHE 38 -0.912 -4.192 2.598 227 HB2 PHE 38 1HB PHE 38 -1.296 -1.373 3.772 228 HB3 PHE 38 2HB PHE 38 0.050 -2.414 4.191 229 HD1 PHE 38 2HD PHE 38 1.185 -3.433 1.871 230 HD2 PHE 38 1HD PHE 38 -0.738 0.322 2.329 231 HE1 PHE 38 2HE PHE 38 2.491 -2.527 -0.072 232 HE2 PHE 38 1HE PHE 38 0.567 1.228 0.386 233 HZ PHE 38 HZ PHE 38 2.166 -0.208 -0.791 234 H ASP 39 H ASP 39 -0.355 -4.573 5.057 235 HA ASP 39 HA ASP 39 -2.919 -5.057 6.336 236 HB2 ASP 39 1HB ASP 39 -1.609 -7.077 5.978 237 HB3 ASP 39 2HB ASP 39 -0.167 -6.332 6.639 238 H VAL 40 H VAL 40 0.043 -5.384 8.199 239 HA VAL 40 HA VAL 40 -0.717 -3.046 9.768 240 HB VAL 40 HB VAL 40 -0.481 -5.297 10.805 241 HG11 VAL 40 1HG1 VAL 40 1.750 -6.228 11.184 242 HG12 VAL 40 2HG1 VAL 40 1.404 -6.114 9.442 243 HG13 VAL 40 3HG1 VAL 40 2.476 -4.922 10.215 244 HG21 VAL 40 3HG2 VAL 40 -0.354 -3.456 12.284 245 HG22 VAL 40 1HG2 VAL 40 1.040 -4.485 12.695 246 HG23 VAL 40 2HG2 VAL 40 1.276 -3.011 11.724 247 H VAL 41 H VAL 41 2.161 -4.584 8.186 248 HA VAL 41 HA VAL 41 3.805 -2.320 8.685 249 HB VAL 41 HB VAL 41 4.160 -4.571 6.699 250 HG11 VAL 41 1HG1 VAL 41 5.707 -2.736 6.325 251 HG12 VAL 41 2HG1 VAL 41 6.148 -2.714 8.049 252 HG13 VAL 41 3HG1 VAL 41 6.577 -4.115 7.038 253 HG21 VAL 41 3HG2 VAL 41 4.549 -4.454 9.677 254 HG22 VAL 41 1HG2 VAL 41 3.890 -5.762 8.665 255 HG23 VAL 41 2HG2 VAL 41 5.642 -5.448 8.685 256 H GLY 42 H GLY 42 2.899 -3.733 5.470 257 HA2 GLY 42 1HA GLY 42 3.421 -1.765 3.795 258 HA3 GLY 42 2HA GLY 42 1.938 -2.690 3.676 259 H GLU 43 H GLU 43 0.766 -1.696 6.217 260 HA GLU 43 HA GLU 43 -0.364 0.659 5.137 261 HB2 GLU 43 1HB GLU 43 -1.446 -1.206 6.635 262 HB3 GLU 43 2HB GLU 43 -0.775 -0.307 7.982 263 HG2 GLU 43 1HG GLU 43 -1.927 1.783 7.012 264 HG3 GLU 43 2HG GLU 43 -2.752 0.714 5.895 265 H GLN 44 H GLN 44 1.442 -0.041 8.223 266 HA GLN 44 HA GLN 44 1.727 2.676 8.822 267 HB2 GLN 44 1HB GLN 44 2.943 1.951 10.710 268 HB3 GLN 44 2HB GLN 44 1.868 0.605 10.385 269 HG2 GLN 44 1HG GLN 44 3.833 -0.341 8.923 270 HG3 GLN 44 2HG GLN 44 4.834 0.830 9.758 271 HE21 GLN 44 1HE2 GLN 44 6.040 -0.746 10.764 272 HE22 GLN 44 2HE2 GLN 44 5.456 -1.704 12.083 273 H ALA 45 H ALA 45 3.326 0.576 6.580 274 HA ALA 45 HA ALA 45 5.807 2.060 6.611 275 HB1 ALA 45 3HB ALA 45 6.608 0.371 5.220 276 HB2 ALA 45 1HB ALA 45 5.370 -0.501 6.155 277 HB3 ALA 45 2HB ALA 45 5.008 0.057 4.504 278 H CYS 46 H CYS 46 2.920 1.575 4.483 279 HA CYS 46 HA CYS 46 3.834 3.290 2.470 280 HB2 CYS 46 1HB CYS 46 2.122 1.641 2.053 281 HB3 CYS 46 2HB CYS 46 1.046 2.390 3.215 282 H GLN 47 H GLN 47 2.408 3.752 5.656 283 HA GLN 47 HA GLN 47 1.167 6.166 5.321 284 HB2 GLN 47 1HB GLN 47 2.430 4.702 7.609 285 HB3 GLN 47 2HB GLN 47 2.113 6.407 7.859 286 HG2 GLN 47 1HG GLN 47 -0.262 5.645 6.709 287 HG3 GLN 47 2HG GLN 47 0.185 4.149 7.506 288 HE21 GLN 47 1HE2 GLN 47 -1.182 4.103 9.164 289 HE22 GLN 47 2HE2 GLN 47 -1.291 5.282 10.428 290 H MET 48 H MET 48 4.627 5.448 6.131 291 HA MET 48 HA MET 48 5.367 8.121 6.344 292 HB2 MET 48 1HB MET 48 6.821 5.494 5.814 293 HB3 MET 48 2HB MET 48 7.719 6.998 5.791 294 HG2 MET 48 1HG MET 48 6.098 7.094 8.144 295 HG3 MET 48 2HG MET 48 6.766 5.475 8.088 296 HE1 MET 48 3HE MET 48 7.356 9.024 7.376 297 HE2 MET 48 1HE MET 48 8.760 9.488 8.366 298 HE3 MET 48 2HE MET 48 9.002 8.859 6.719 299 H SER 49 H SER 49 5.392 5.790 3.588 300 HA SER 49 HA SER 49 6.648 7.654 1.868 301 HB2 SER 49 1HB SER 49 5.543 4.889 1.680 302 HB3 SER 49 2HB SER 49 5.519 5.801 0.184 303 HG SER 49 HG SER 49 7.938 6.073 1.544 304 H ALA 50 H ALA 50 3.531 7.420 3.189 305 HA ALA 50 HA ALA 50 1.875 7.959 1.021 306 HB1 ALA 50 3HB ALA 50 0.257 8.477 2.659 307 HB2 ALA 50 1HB ALA 50 1.348 7.340 3.486 308 HB3 ALA 50 2HB ALA 50 1.477 9.086 3.803 309 H GLN 51 H GLN 51 2.980 9.416 -0.405 310 HA GLN 51 HA GLN 51 3.406 12.066 0.700 311 HB2 GLN 51 1HB GLN 51 5.287 11.006 -0.540 312 HB3 GLN 51 2HB GLN 51 4.281 10.871 -1.968 313 HG2 GLN 51 1HG GLN 51 4.271 13.614 -0.902 314 HG3 GLN 51 2HG GLN 51 5.899 13.070 -1.255 315 HE21 GLN 51 1HE2 GLN 51 4.645 15.118 -2.630 316 HE22 GLN 51 2HE2 GLN 51 4.376 14.659 -4.279 317 H CYS 52 H CYS 52 0.789 11.764 0.683 318 HA CYS 52 HA CYS 52 -0.264 12.451 -1.923 319 HB2 CYS 52 1HB CYS 52 -2.107 12.471 0.360 320 HB3 CYS 52 2HB CYS 52 -2.248 11.697 -1.206 Start of MODEL 18 1 H1 ASN 1 1H ASN 1 11.873 -5.341 1.156 2 HA ASN 1 HA ASN 1 10.190 -3.897 -0.370 3 HB2 ASN 1 1HB ASN 1 10.821 -6.866 -0.234 4 HB3 ASN 1 2HB ASN 1 9.618 -6.308 -1.380 5 HD21 ASN 1 1HD2 ASN 1 10.620 -6.517 -3.263 6 HD22 ASN 1 2HD2 ASN 1 12.103 -5.751 -3.725 7 HA PRO 2 HA PRO 2 6.196 -4.705 1.250 8 HB2 PRO 2 1HB PRO 2 4.601 -4.378 -0.945 9 HB3 PRO 2 2HB PRO 2 5.240 -3.036 -0.017 10 HG2 PRO 2 1HG PRO 2 6.099 -4.034 -2.664 11 HG3 PRO 2 2HG PRO 2 6.417 -2.479 -1.921 12 HD2 PRO 2 1HD PRO 2 8.247 -4.675 -2.156 13 HD3 PRO 2 2HD PRO 2 8.525 -3.164 -1.312 14 H GLU 3 H GLU 3 7.766 -6.854 -0.597 15 HA GLU 3 HA GLU 3 5.773 -8.587 -1.363 16 HB2 GLU 3 1HB GLU 3 7.521 -10.222 -1.621 17 HB3 GLU 3 2HB GLU 3 8.225 -8.664 -2.006 18 HG2 GLU 3 1HG GLU 3 9.164 -8.510 0.306 19 HG3 GLU 3 2HG GLU 3 8.447 -10.058 0.705 20 H ASP 4 H ASP 4 7.207 -7.924 1.808 21 HA ASP 4 HA ASP 4 6.227 -10.331 2.953 22 HB2 ASP 4 1HB ASP 4 6.957 -7.860 4.545 23 HB3 ASP 4 2HB ASP 4 7.188 -9.542 4.978 24 H TRP 5 H TRP 5 5.203 -6.944 2.492 25 HA TRP 5 HA TRP 5 2.838 -7.428 4.160 26 HB2 TRP 5 1HB TRP 5 3.267 -4.712 3.163 27 HB3 TRP 5 2HB TRP 5 2.869 -5.283 4.772 28 HD1 TRP 5 HD TRP 5 5.316 -6.678 5.873 29 HE1 TRP 5 1HE TRP 5 7.731 -5.643 6.121 30 HE3 TRP 5 3HE TRP 5 4.691 -3.047 2.369 31 HZ2 TRP 5 2HZ TRP 5 9.078 -3.471 4.853 32 HZ3 TRP 5 3HZ TRP 5 6.605 -1.511 1.935 33 HH2 TRP 5 HH TRP 5 8.742 -1.679 3.110 34 H PHE 6 H PHE 6 1.453 -5.169 2.721 35 HA PHE 6 HA PHE 6 0.026 -4.914 1.062 36 HB2 PHE 6 1HB PHE 6 1.944 -4.588 -0.385 37 HB3 PHE 6 2HB PHE 6 2.420 -6.270 -0.266 38 HD1 PHE 6 2HD PHE 6 -0.465 -4.236 -1.493 39 HD2 PHE 6 1HD PHE 6 2.021 -7.623 -2.088 40 HE1 PHE 6 2HE PHE 6 -1.644 -4.722 -3.656 41 HE2 PHE 6 1HE PHE 6 0.843 -8.108 -4.250 42 HZ PHE 6 HZ PHE 6 -0.975 -6.652 -5.009 43 H THR 7 H THR 7 -1.907 -5.922 0.771 44 HA THR 7 HA THR 7 -1.842 -8.860 0.543 45 HB THR 7 HB THR 7 -4.138 -8.666 1.651 46 HG1 THR 7 1HG THR 7 -4.105 -6.275 0.914 47 HG21 THR 7 3HG2 THR 7 -3.165 -8.791 3.726 48 HG22 THR 7 1HG2 THR 7 -1.617 -8.534 2.887 49 HG23 THR 7 2HG2 THR 7 -2.493 -7.149 3.582 50 HA PRO 8 HA PRO 8 -3.476 -7.717 -3.382 51 HB2 PRO 8 1HB PRO 8 -2.642 -9.954 -4.712 52 HB3 PRO 8 2HB PRO 8 -1.669 -8.502 -4.573 53 HG2 PRO 8 1HG PRO 8 -1.370 -11.076 -3.151 54 HG3 PRO 8 2HG PRO 8 -0.197 -9.790 -3.352 55 HD2 PRO 8 1HD PRO 8 -1.722 -10.368 -0.993 56 HD3 PRO 8 2HD PRO 8 -0.636 -9.014 -1.233 57 H ASP 9 H ASP 9 -4.386 -9.803 -1.077 58 HA ASP 9 HA ASP 9 -6.291 -11.183 -2.720 59 HB2 ASP 9 1HB ASP 9 -5.764 -11.166 0.287 60 HB3 ASP 9 2HB ASP 9 -7.006 -12.149 -0.462 61 H THR 10 H THR 10 -5.973 -8.189 -1.067 62 HA THR 10 HA THR 10 -8.868 -7.781 -1.177 63 HB THR 10 HB THR 10 -8.396 -8.367 1.168 64 HG1 THR 10 1HG THR 10 -9.709 -6.398 0.497 65 HG21 THR 10 3HG2 THR 10 -6.879 -6.716 2.456 66 HG22 THR 10 1HG2 THR 10 -6.030 -7.915 1.452 67 HG23 THR 10 2HG2 THR 10 -6.218 -6.243 0.873 68 H CYS 11 H CYS 11 -7.210 -7.041 -3.212 69 HA CYS 11 HA CYS 11 -7.509 -4.206 -3.068 70 HB2 CYS 11 1HB CYS 11 -5.133 -4.974 -2.111 71 HB3 CYS 11 2HB CYS 11 -4.738 -4.998 -3.818 72 H ALA 12 H ALA 12 -7.319 -3.266 -5.272 73 HA ALA 12 HA ALA 12 -8.221 -5.068 -7.247 74 HB1 ALA 12 3HB ALA 12 -8.898 -3.135 -8.178 75 HB2 ALA 12 1HB ALA 12 -8.175 -2.289 -6.789 76 HB3 ALA 12 2HB ALA 12 -7.226 -2.531 -8.276 77 H TYR 13 H TYR 13 -5.052 -3.754 -6.301 78 HA TYR 13 HA TYR 13 -3.802 -4.677 -8.733 79 HB2 TYR 13 1HB TYR 13 -2.536 -3.822 -6.072 80 HB3 TYR 13 2HB TYR 13 -1.858 -3.618 -7.675 81 HD1 TYR 13 2HD TYR 13 -4.424 -2.505 -8.987 82 HD2 TYR 13 1HD TYR 13 -2.384 -1.550 -5.350 83 HE1 TYR 13 2HE TYR 13 -5.358 -0.142 -9.076 84 HE2 TYR 13 1HE TYR 13 -3.324 0.810 -5.451 85 HH TYR 13 HH TYR 13 -4.410 2.263 -6.649 86 H GLY 14 H GLY 14 -2.176 -6.336 -8.846 87 HA2 GLY 14 1HA GLY 14 -2.526 -8.392 -6.756 88 HA3 GLY 14 2HA GLY 14 -2.132 -8.688 -8.438 89 H ASP 15 H ASP 15 -0.268 -6.180 -8.321 90 HA ASP 15 HA ASP 15 1.990 -7.709 -7.412 91 HB2 ASP 15 1HB ASP 15 2.013 -4.917 -8.628 92 HB3 ASP 15 2HB ASP 15 3.331 -6.070 -8.592 93 H SER 16 H SER 16 3.725 -6.483 -6.082 94 HA SER 16 HA SER 16 2.346 -4.932 -4.062 95 HB2 SER 16 1HB SER 16 4.577 -5.345 -2.797 96 HB3 SER 16 2HB SER 16 3.509 -6.713 -3.042 97 HG SER 16 HG SER 16 4.830 -7.508 -4.680 98 H ASN 17 H ASN 17 5.132 -4.874 -6.340 99 HA ASN 17 HA ASN 17 6.209 -2.485 -5.447 100 HB2 ASN 17 1HB ASN 17 6.304 -4.052 -8.043 101 HB3 ASN 17 2HB ASN 17 7.001 -2.445 -8.012 102 HD21 ASN 17 1HD2 ASN 17 8.594 -1.959 -6.356 103 HD22 ASN 17 2HD2 ASN 17 9.678 -3.193 -5.808 104 H THR 18 H THR 18 3.882 -3.313 -8.117 105 HA THR 18 HA THR 18 3.508 -0.605 -8.911 106 HB THR 18 HB THR 18 3.096 -3.069 -10.041 107 HG1 THR 18 1HG THR 18 1.808 -1.675 -11.562 108 HG21 THR 18 3HG2 THR 18 0.780 -3.579 -10.222 109 HG22 THR 18 1HG2 THR 18 0.957 -3.216 -8.489 110 HG23 THR 18 2HG2 THR 18 0.290 -1.988 -9.592 111 H ALA 19 H ALA 19 1.885 -2.821 -6.621 112 HA ALA 19 HA ALA 19 -0.409 -1.283 -6.242 113 HB1 ALA 19 3HB ALA 19 -0.291 -2.509 -3.928 114 HB2 ALA 19 1HB ALA 19 -0.484 -3.471 -5.413 115 HB3 ALA 19 2HB ALA 19 1.114 -3.340 -4.639 116 H TRP 20 H TRP 20 2.673 -1.407 -4.311 117 HA TRP 20 HA TRP 20 2.013 0.635 -2.567 118 HB2 TRP 20 1HB TRP 20 3.847 -0.842 -2.142 119 HB3 TRP 20 2HB TRP 20 4.680 -0.334 -3.597 120 HD1 TRP 20 HD TRP 20 5.159 2.605 -3.481 121 HE1 TRP 20 1HE TRP 20 6.293 3.972 -1.530 122 HE3 TRP 20 3HE TRP 20 4.288 -0.846 0.150 123 HZ2 TRP 20 2HZ TRP 20 6.691 3.468 1.251 124 HZ3 TRP 20 3HZ TRP 20 5.082 -0.330 2.456 125 HH2 TRP 20 HH TRP 20 6.246 1.740 3.032 126 H THR 21 H THR 21 3.753 0.699 -5.754 127 HA THR 21 HA THR 21 4.244 3.428 -5.829 128 HB THR 21 HB THR 21 4.108 1.110 -7.712 129 HG1 THR 21 1HG THR 21 6.095 1.851 -6.786 130 HG21 THR 21 3HG2 THR 21 3.576 3.964 -8.552 131 HG22 THR 21 1HG2 THR 21 4.726 3.011 -9.520 132 HG23 THR 21 2HG2 THR 21 3.049 2.449 -9.324 133 H THR 22 H THR 22 1.362 1.586 -7.003 134 HA THR 22 HA THR 22 0.049 3.932 -7.916 135 HB THR 22 HB THR 22 -1.008 1.147 -7.193 136 HG1 THR 22 1HG THR 22 -0.145 0.662 -9.201 137 HG21 THR 22 3HG2 THR 22 -2.697 3.097 -7.677 138 HG22 THR 22 1HG2 THR 22 -2.036 3.061 -9.330 139 HG23 THR 22 2HG2 THR 22 -2.840 1.620 -8.661 140 H CYS 23 H CYS 23 0.548 2.518 -4.768 141 HA CYS 23 HA CYS 23 -1.795 3.723 -3.647 142 HB2 CYS 23 1HB CYS 23 0.035 1.719 -2.882 143 HB3 CYS 23 2HB CYS 23 0.203 2.998 -1.696 144 H THR 24 H THR 24 1.743 4.338 -3.924 145 HA THR 24 HA THR 24 1.535 6.751 -2.330 146 HB THR 24 HB THR 24 4.045 6.801 -2.977 147 HG1 THR 24 1HG THR 24 3.456 5.378 -4.908 148 HG21 THR 24 3HG2 THR 24 3.082 5.598 -0.875 149 HG22 THR 24 1HG2 THR 24 3.185 4.103 -1.836 150 HG23 THR 24 2HG2 THR 24 4.661 5.028 -1.466 151 H THR 25 H THR 25 -0.236 7.499 -3.924 152 HA THR 25 HA THR 25 1.106 9.294 -5.780 153 HB THR 25 HB THR 25 -0.745 8.579 -7.501 154 HG1 THR 25 1HG THR 25 -1.813 7.244 -5.800 155 HG21 THR 25 3HG2 THR 25 0.571 6.494 -8.190 156 HG22 THR 25 1HG2 THR 25 1.570 7.955 -7.995 157 HG23 THR 25 2HG2 THR 25 1.552 6.712 -6.721 158 HA PRO 26 HA PRO 26 -1.904 12.000 -4.362 159 HB2 PRO 26 1HB PRO 26 -2.062 13.815 -6.399 160 HB3 PRO 26 2HB PRO 26 -0.778 13.823 -5.206 161 HG2 PRO 26 1HG PRO 26 -0.685 12.936 -8.025 162 HG3 PRO 26 2HG PRO 26 0.644 13.349 -6.960 163 HD2 PRO 26 1HD PRO 26 -0.195 10.712 -7.713 164 HD3 PRO 26 2HD PRO 26 1.058 11.123 -6.559 165 H GLY 27 H GLY 27 -4.039 11.952 -4.012 166 HA2 GLY 27 1HA GLY 27 -5.887 12.022 -6.131 167 HA3 GLY 27 2HA GLY 27 -5.647 10.354 -5.652 168 H GLN 28 H GLN 28 -7.758 10.112 -4.756 169 HA GLN 28 HA GLN 28 -8.331 11.862 -2.511 170 HB2 GLN 28 1HB GLN 28 -9.965 11.233 -4.543 171 HB3 GLN 28 2HB GLN 28 -10.309 9.837 -3.540 172 HG2 GLN 28 1HG GLN 28 -10.853 11.355 -1.621 173 HG3 GLN 28 2HG GLN 28 -10.519 12.747 -2.632 174 HE21 GLN 28 1HE2 GLN 28 -12.598 13.526 -2.404 175 HE22 GLN 28 2HE2 GLN 28 -13.967 12.842 -3.215 176 H THR 29 H THR 29 -7.496 8.557 -3.432 177 HA THR 29 HA THR 29 -7.685 7.795 -0.592 178 HB THR 29 HB THR 29 -8.334 5.548 -1.359 179 HG1 THR 29 1HG THR 29 -8.193 6.803 -4.005 180 HG21 THR 29 3HG2 THR 29 -10.485 6.290 -1.565 181 HG22 THR 29 1HG2 THR 29 -9.911 7.908 -2.035 182 HG23 THR 29 2HG2 THR 29 -10.148 6.653 -3.275 183 H CYS 30 H CYS 30 -5.442 9.092 -1.230 184 HA CYS 30 HA CYS 30 -3.490 7.383 -2.368 185 HB2 CYS 30 1HB CYS 30 -3.138 9.707 -2.572 186 HB3 CYS 30 2HB CYS 30 -3.370 9.986 -0.857 187 H TYR 31 H TYR 31 -4.366 8.483 0.983 188 HA TYR 31 HA TYR 31 -2.490 6.600 2.127 189 HB2 TYR 31 1HB TYR 31 -2.862 8.892 3.066 190 HB3 TYR 31 2HB TYR 31 -4.589 8.609 3.150 191 HD1 TYR 31 2HD TYR 31 -5.480 6.905 4.808 192 HD2 TYR 31 1HD TYR 31 -1.418 8.248 4.846 193 HE1 TYR 31 2HE TYR 31 -5.219 6.071 7.195 194 HE2 TYR 31 1HE TYR 31 -1.171 7.409 7.234 195 HH TYR 31 HH TYR 31 -3.207 5.275 8.612 196 H THR 32 H THR 32 -5.877 6.761 1.226 197 HA THR 32 HA THR 32 -6.749 4.791 3.120 198 HB THR 32 HB THR 32 -7.957 6.060 0.608 199 HG1 THR 32 1HG THR 32 -7.563 7.359 2.589 200 HG21 THR 32 3HG2 THR 32 -8.836 3.677 1.765 201 HG22 THR 32 1HG2 THR 32 -9.738 4.904 2.686 202 HG23 THR 32 2HG2 THR 32 -9.884 4.837 0.913 203 H CYS 33 H CYS 33 -5.633 4.812 -0.290 204 HA CYS 33 HA CYS 33 -6.377 2.255 -0.951 205 HB2 CYS 33 1HB CYS 33 -5.607 3.360 -2.766 206 HB3 CYS 33 2HB CYS 33 -4.340 4.188 -1.881 207 H CYS 34 H CYS 34 -3.438 3.513 0.748 208 HA CYS 34 HA CYS 34 -2.067 1.123 0.906 209 HB2 CYS 34 1HB CYS 34 -2.071 3.394 2.905 210 HB3 CYS 34 2HB CYS 34 -0.855 2.138 2.776 211 H SER 35 H SER 35 -4.822 2.460 2.733 212 HA SER 35 HA SER 35 -4.619 0.523 4.798 213 HB2 SER 35 1HB SER 35 -6.938 2.360 4.051 214 HB3 SER 35 2HB SER 35 -6.789 1.470 5.553 215 HG SER 35 HG SER 35 -5.422 3.799 4.680 216 H SER 36 H SER 36 -5.318 0.199 1.590 217 HA SER 36 HA SER 36 -7.086 -2.032 2.154 218 HB2 SER 36 1HB SER 36 -8.645 -1.478 0.492 219 HB3 SER 36 2HB SER 36 -8.285 0.087 1.194 220 HG SER 36 HG SER 36 -8.250 0.002 -1.201 221 H CYS 37 H CYS 37 -4.104 -1.325 1.414 222 HA CYS 37 HA CYS 37 -3.931 -3.394 -0.625 223 HB2 CYS 37 1HB CYS 37 -3.429 -0.638 -1.134 224 HB3 CYS 37 2HB CYS 37 -1.883 -1.464 -1.136 225 H PHE 38 H PHE 38 -3.499 -2.807 2.432 226 HA PHE 38 HA PHE 38 -1.037 -4.273 2.583 227 HB2 PHE 38 1HB PHE 38 -1.433 -1.457 3.762 228 HB3 PHE 38 2HB PHE 38 -0.083 -2.494 4.176 229 HD1 PHE 38 2HD PHE 38 1.113 -3.474 1.903 230 HD2 PHE 38 1HD PHE 38 -0.940 0.221 2.276 231 HE1 PHE 38 2HE PHE 38 2.415 -2.554 -0.037 232 HE2 PHE 38 1HE PHE 38 0.361 1.140 0.337 233 HZ PHE 38 HZ PHE 38 2.023 -0.259 -0.797 234 H ASP 39 H ASP 39 -0.525 -4.806 4.965 235 HA ASP 39 HA ASP 39 -3.068 -5.338 6.219 236 HB2 ASP 39 1HB ASP 39 -1.295 -6.620 7.812 237 HB3 ASP 39 2HB ASP 39 -1.912 -7.326 6.332 238 H VAL 40 H VAL 40 0.198 -4.913 7.727 239 HA VAL 40 HA VAL 40 -0.854 -2.614 9.213 240 HB VAL 40 HB VAL 40 -0.931 -4.806 10.479 241 HG11 VAL 40 1HG1 VAL 40 1.162 -5.774 9.656 242 HG12 VAL 40 2HG1 VAL 40 2.087 -4.464 10.429 243 HG13 VAL 40 3HG1 VAL 40 1.186 -5.628 11.430 244 HG21 VAL 40 3HG2 VAL 40 -0.149 -3.803 12.554 245 HG22 VAL 40 1HG2 VAL 40 0.815 -2.613 11.648 246 HG23 VAL 40 2HG2 VAL 40 -0.962 -2.574 11.555 247 H VAL 41 H VAL 41 2.003 -4.534 8.116 248 HA VAL 41 HA VAL 41 3.812 -2.401 8.666 249 HB VAL 41 HB VAL 41 4.211 -4.807 6.886 250 HG11 VAL 41 1HG1 VAL 41 6.033 -3.296 6.673 251 HG12 VAL 41 2HG1 VAL 41 6.080 -2.986 8.425 252 HG13 VAL 41 3HG1 VAL 41 6.577 -4.572 7.788 253 HG21 VAL 41 3HG2 VAL 41 5.189 -5.803 9.071 254 HG22 VAL 41 1HG2 VAL 41 4.181 -4.589 9.895 255 HG23 VAL 41 2HG2 VAL 41 3.423 -5.810 8.845 256 H GLY 42 H GLY 42 2.175 -3.745 5.735 257 HA2 GLY 42 1HA GLY 42 3.396 -2.096 3.843 258 HA3 GLY 42 2HA GLY 42 1.828 -2.864 3.698 259 H GLU 43 H GLU 43 0.500 -1.604 5.949 260 HA GLU 43 HA GLU 43 -0.160 0.830 4.670 261 HB2 GLU 43 1HB GLU 43 -1.701 -0.807 5.983 262 HB3 GLU 43 2HB GLU 43 -1.090 -0.032 7.431 263 HG2 GLU 43 1HG GLU 43 -1.737 2.220 6.222 264 HG3 GLU 43 2HG GLU 43 -2.709 1.202 5.178 265 H GLN 44 H GLN 44 1.353 -0.085 7.838 266 HA GLN 44 HA GLN 44 1.710 2.549 8.665 267 HB2 GLN 44 1HB GLN 44 2.880 1.633 10.493 268 HB3 GLN 44 2HB GLN 44 1.801 0.334 10.025 269 HG2 GLN 44 1HG GLN 44 3.710 -0.936 10.021 270 HG3 GLN 44 2HG GLN 44 3.948 -0.251 8.425 271 HE21 GLN 44 1HE2 GLN 44 6.199 -0.717 8.913 272 HE22 GLN 44 2HE2 GLN 44 7.158 0.445 9.768 273 H ALA 45 H ALA 45 3.488 0.443 6.461 274 HA ALA 45 HA ALA 45 5.872 2.066 6.565 275 HB1 ALA 45 3HB ALA 45 6.681 0.471 4.874 276 HB2 ALA 45 1HB ALA 45 5.969 -0.390 6.260 277 HB3 ALA 45 2HB ALA 45 5.051 -0.233 4.743 278 H CYS 46 H CYS 46 2.921 1.653 4.595 279 HA CYS 46 HA CYS 46 3.890 3.240 2.453 280 HB2 CYS 46 1HB CYS 46 2.165 1.530 2.150 281 HB3 CYS 46 2HB CYS 46 1.072 2.421 3.191 282 H GLN 47 H GLN 47 2.285 3.745 5.579 283 HA GLN 47 HA GLN 47 1.117 6.173 5.151 284 HB2 GLN 47 1HB GLN 47 2.249 4.741 7.534 285 HB3 GLN 47 2HB GLN 47 1.885 6.444 7.732 286 HG2 GLN 47 1HG GLN 47 -0.412 5.713 6.509 287 HG3 GLN 47 2HG GLN 47 0.011 4.151 7.183 288 HE21 GLN 47 1HE2 GLN 47 -1.208 3.847 8.889 289 HE22 GLN 47 2HE2 GLN 47 -1.448 4.941 10.210 290 H MET 48 H MET 48 4.524 5.400 6.097 291 HA MET 48 HA MET 48 5.296 8.061 6.371 292 HB2 MET 48 1HB MET 48 6.634 5.373 6.033 293 HB3 MET 48 2HB MET 48 7.636 6.784 5.756 294 HG2 MET 48 1HG MET 48 6.323 7.480 8.108 295 HG3 MET 48 2HG MET 48 6.499 5.747 8.300 296 HE1 MET 48 3HE MET 48 7.634 6.621 10.342 297 HE2 MET 48 1HE MET 48 8.741 5.274 9.980 298 HE3 MET 48 2HE MET 48 9.395 6.865 10.438 299 H SER 49 H SER 49 5.042 5.870 3.571 300 HA SER 49 HA SER 49 6.579 7.579 1.902 301 HB2 SER 49 1HB SER 49 5.428 4.926 1.770 302 HB3 SER 49 2HB SER 49 4.933 5.820 0.346 303 HG SER 49 HG SER 49 7.651 6.119 1.046 304 H ALA 50 H ALA 50 3.191 7.182 2.857 305 HA ALA 50 HA ALA 50 1.809 8.237 0.779 306 HB1 ALA 50 3HB ALA 50 0.832 7.379 2.878 307 HB2 ALA 50 1HB ALA 50 1.440 8.808 3.748 308 HB3 ALA 50 2HB ALA 50 0.196 8.995 2.489 309 H GLN 51 H GLN 51 2.720 9.853 -0.477 310 HA GLN 51 HA GLN 51 3.452 12.275 0.968 311 HB2 GLN 51 1HB GLN 51 5.234 11.199 -0.437 312 HB3 GLN 51 2HB GLN 51 4.227 11.415 -1.855 313 HG2 GLN 51 1HG GLN 51 4.170 13.957 -1.112 314 HG3 GLN 51 2HG GLN 51 5.579 13.535 -0.159 315 HE21 GLN 51 1HE2 GLN 51 4.404 14.439 -3.172 316 HE22 GLN 51 2HE2 GLN 51 5.817 14.183 -4.142 317 H CYS 52 H CYS 52 0.798 12.104 0.896 318 HA CYS 52 HA CYS 52 0.090 13.932 -1.264 319 HB2 CYS 52 1HB CYS 52 -1.885 11.851 -0.400 320 HB3 CYS 52 2HB CYS 52 -1.852 12.816 -1.862 Start of MODEL 19 1 H1 ASN 1 1H ASN 1 11.695 -4.172 1.539 2 HA ASN 1 HA ASN 1 10.156 -4.541 -0.400 3 HB2 ASN 1 1HB ASN 1 10.602 -6.858 1.557 4 HB3 ASN 1 2HB ASN 1 10.249 -7.040 -0.150 5 HD21 ASN 1 1HD2 ASN 1 11.867 -7.187 -1.509 6 HD22 ASN 1 2HD2 ASN 1 13.516 -6.742 -1.222 7 HA PRO 2 HA PRO 2 6.051 -4.643 1.285 8 HB2 PRO 2 1HB PRO 2 4.697 -4.323 -1.067 9 HB3 PRO 2 2HB PRO 2 5.307 -2.979 -0.123 10 HG2 PRO 2 1HG PRO 2 6.371 -4.111 -2.638 11 HG3 PRO 2 2HG PRO 2 6.691 -2.546 -1.916 12 HD2 PRO 2 1HD PRO 2 8.425 -4.831 -1.899 13 HD3 PRO 2 2HD PRO 2 8.693 -3.305 -1.080 14 H GLU 3 H GLU 3 7.692 -6.934 -0.295 15 HA GLU 3 HA GLU 3 5.714 -8.601 -1.224 16 HB2 GLU 3 1HB GLU 3 7.406 -10.385 -1.055 17 HB3 GLU 3 2HB GLU 3 8.124 -8.914 -1.679 18 HG2 GLU 3 1HG GLU 3 8.808 -8.372 0.755 19 HG3 GLU 3 2HG GLU 3 8.335 -10.011 1.157 20 H ASP 4 H ASP 4 7.146 -8.240 2.069 21 HA ASP 4 HA ASP 4 5.750 -10.415 3.138 22 HB2 ASP 4 1HB ASP 4 7.816 -8.947 4.010 23 HB3 ASP 4 2HB ASP 4 6.556 -8.023 4.804 24 H TRP 5 H TRP 5 5.093 -6.944 2.613 25 HA TRP 5 HA TRP 5 2.609 -7.145 4.146 26 HB2 TRP 5 1HB TRP 5 3.263 -4.557 2.961 27 HB3 TRP 5 2HB TRP 5 2.801 -4.972 4.600 28 HD1 TRP 5 HD TRP 5 5.202 -6.608 5.685 29 HE1 TRP 5 1HE TRP 5 7.652 -5.669 5.966 30 HE3 TRP 5 3HE TRP 5 4.708 -2.839 2.308 31 HZ2 TRP 5 2HZ TRP 5 9.077 -3.504 4.772 32 HZ3 TRP 5 3HZ TRP 5 6.676 -1.358 1.924 33 HH2 TRP 5 HH TRP 5 8.805 -1.642 3.092 34 H PHE 6 H PHE 6 1.200 -5.115 2.651 35 HA PHE 6 HA PHE 6 -0.197 -4.938 0.956 36 HB2 PHE 6 1HB PHE 6 1.709 -4.417 -0.434 37 HB3 PHE 6 2HB PHE 6 2.351 -6.043 -0.308 38 HD1 PHE 6 1HD PHE 6 -0.541 -4.172 -1.730 39 HD2 PHE 6 2HD PHE 6 2.017 -7.543 -2.049 40 HE1 PHE 6 1HE PHE 6 -1.585 -4.755 -3.937 41 HE2 PHE 6 2HE PHE 6 0.973 -8.126 -4.256 42 HZ PHE 6 HZ PHE 6 -0.815 -6.725 -5.174 43 H THR 7 H THR 7 -2.036 -6.123 0.801 44 HA THR 7 HA THR 7 -1.723 -9.022 0.386 45 HB THR 7 HB THR 7 -3.812 -9.228 1.659 46 HG1 THR 7 1HG THR 7 -4.646 -7.017 2.427 47 HG21 THR 7 3HG2 THR 7 -1.477 -8.257 2.832 48 HG22 THR 7 1HG2 THR 7 -2.680 -7.040 3.322 49 HG23 THR 7 2HG2 THR 7 -2.930 -8.753 3.733 50 HA PRO 8 HA PRO 8 -3.506 -7.865 -3.466 51 HB2 PRO 8 1HB PRO 8 -2.525 -9.980 -4.893 52 HB3 PRO 8 2HB PRO 8 -1.663 -8.465 -4.709 53 HG2 PRO 8 1HG PRO 8 -1.149 -11.061 -3.392 54 HG3 PRO 8 2HG PRO 8 -0.079 -9.683 -3.557 55 HD2 PRO 8 1HD PRO 8 -1.522 -10.464 -1.204 56 HD3 PRO 8 2HD PRO 8 -0.544 -9.024 -1.404 57 H ASP 9 H ASP 9 -4.040 -10.360 -1.340 58 HA ASP 9 HA ASP 9 -5.886 -11.755 -2.967 59 HB2 ASP 9 1HB ASP 9 -5.356 -11.725 0.038 60 HB3 ASP 9 2HB ASP 9 -6.542 -12.782 -0.700 61 H THR 10 H THR 10 -5.866 -8.860 -1.006 62 HA THR 10 HA THR 10 -8.796 -8.711 -1.210 63 HB THR 10 HB THR 10 -8.231 -9.242 1.125 64 HG1 THR 10 1HG THR 10 -9.621 -7.583 1.588 65 HG21 THR 10 3HG2 THR 10 -6.008 -8.605 1.587 66 HG22 THR 10 1HG2 THR 10 -6.155 -7.080 0.681 67 HG23 THR 10 2HG2 THR 10 -6.898 -7.234 2.291 68 H CYS 11 H CYS 11 -7.040 -7.804 -3.207 69 HA CYS 11 HA CYS 11 -7.647 -4.985 -3.017 70 HB2 CYS 11 1HB CYS 11 -5.107 -5.759 -2.361 71 HB3 CYS 11 2HB CYS 11 -4.945 -5.472 -4.082 72 H ALA 12 H ALA 12 -6.981 -3.995 -5.346 73 HA ALA 12 HA ALA 12 -8.194 -5.792 -7.262 74 HB1 ALA 12 3HB ALA 12 -7.346 -2.870 -7.388 75 HB2 ALA 12 1HB ALA 12 -8.208 -3.738 -8.681 76 HB3 ALA 12 2HB ALA 12 -8.990 -3.488 -7.101 77 H TYR 13 H TYR 13 -5.047 -4.271 -6.502 78 HA TYR 13 HA TYR 13 -3.885 -5.221 -8.971 79 HB2 TYR 13 1HB TYR 13 -3.022 -3.767 -6.410 80 HB3 TYR 13 2HB TYR 13 -1.814 -4.283 -7.570 81 HD1 TYR 13 1HD TYR 13 -2.503 -3.581 -10.131 82 HD2 TYR 13 2HD TYR 13 -3.686 -1.556 -6.553 83 HE1 TYR 13 1HE TYR 13 -2.870 -1.441 -11.455 84 HE2 TYR 13 2HE TYR 13 -4.049 0.577 -7.889 85 HH TYR 13 HH TYR 13 -2.851 1.000 -10.968 86 H GLY 14 H GLY 14 -2.024 -6.681 -9.040 87 HA2 GLY 14 1HA GLY 14 -2.151 -8.684 -6.869 88 HA3 GLY 14 2HA GLY 14 -1.807 -9.028 -8.553 89 H ASP 15 H ASP 15 -0.252 -6.175 -8.252 90 HA ASP 15 HA ASP 15 2.201 -7.528 -7.488 91 HB2 ASP 15 1HB ASP 15 2.023 -4.808 -8.826 92 HB3 ASP 15 2HB ASP 15 3.364 -5.935 -8.846 93 H SER 16 H SER 16 3.646 -6.469 -5.941 94 HA SER 16 HA SER 16 2.225 -4.755 -4.140 95 HB2 SER 16 1HB SER 16 4.603 -4.980 -2.938 96 HB3 SER 16 2HB SER 16 3.427 -6.279 -2.886 97 HG SER 16 HG SER 16 5.227 -7.335 -3.570 98 H ASN 17 H ASN 17 4.850 -4.618 -6.546 99 HA ASN 17 HA ASN 17 5.969 -2.222 -5.721 100 HB2 ASN 17 1HB ASN 17 5.766 -3.510 -8.493 101 HB3 ASN 17 2HB ASN 17 6.766 -2.110 -8.161 102 HD21 ASN 17 1HD2 ASN 17 7.096 -5.136 -8.794 103 HD22 ASN 17 2HD2 ASN 17 8.366 -5.653 -7.735 104 H THR 18 H THR 18 3.584 -3.001 -8.374 105 HA THR 18 HA THR 18 3.047 -0.298 -8.995 106 HB THR 18 HB THR 18 2.680 -2.642 -10.266 107 HG1 THR 18 1HG THR 18 1.994 -1.008 -11.587 108 HG21 THR 18 3HG2 THR 18 0.414 -3.406 -10.242 109 HG22 THR 18 1HG2 THR 18 0.805 -3.224 -8.515 110 HG23 THR 18 2HG2 THR 18 -0.147 -1.972 -9.349 111 H ALA 19 H ALA 19 1.670 -2.605 -6.649 112 HA ALA 19 HA ALA 19 -0.653 -1.140 -6.098 113 HB1 ALA 19 3HB ALA 19 1.006 -3.176 -4.583 114 HB2 ALA 19 1HB ALA 19 -0.471 -2.465 -3.890 115 HB3 ALA 19 2HB ALA 19 -0.559 -3.404 -5.400 116 H TRP 20 H TRP 20 2.504 -1.317 -4.293 117 HA TRP 20 HA TRP 20 1.922 0.658 -2.461 118 HB2 TRP 20 1HB TRP 20 3.784 -0.772 -2.133 119 HB3 TRP 20 2HB TRP 20 4.522 -0.298 -3.650 120 HD1 TRP 20 HD TRP 20 5.105 2.602 -3.634 121 HE1 TRP 20 1HE TRP 20 6.361 3.999 -1.781 122 HE3 TRP 20 3HE TRP 20 4.290 -0.696 0.149 123 HZ2 TRP 20 2HZ TRP 20 6.861 3.578 0.996 124 HZ3 TRP 20 3HZ TRP 20 5.196 -0.127 2.401 125 HH2 TRP 20 HH TRP 20 6.443 1.925 2.855 126 H THR 21 H THR 21 3.491 0.864 -5.729 127 HA THR 21 HA THR 21 3.971 3.592 -5.730 128 HB THR 21 HB THR 21 3.668 1.362 -7.711 129 HG1 THR 21 1HG THR 21 5.821 1.963 -7.823 130 HG21 THR 21 3HG2 THR 21 4.272 3.388 -9.416 131 HG22 THR 21 1HG2 THR 21 2.605 2.798 -9.216 132 HG23 THR 21 2HG2 THR 21 3.141 4.259 -8.352 133 H THR 22 H THR 22 1.134 1.928 -7.273 134 HA THR 22 HA THR 22 -0.248 4.267 -7.827 135 HB THR 22 HB THR 22 -1.140 1.393 -7.271 136 HG1 THR 22 1HG THR 22 0.354 2.097 -9.105 137 HG21 THR 22 3HG2 THR 22 -3.105 2.096 -8.771 138 HG22 THR 22 1HG2 THR 22 -3.164 2.742 -7.114 139 HG23 THR 22 2HG2 THR 22 -2.635 3.784 -8.457 140 H CYS 23 H CYS 23 0.421 2.785 -4.763 141 HA CYS 23 HA CYS 23 -1.882 3.948 -3.500 142 HB2 CYS 23 1HB CYS 23 0.150 1.997 -2.825 143 HB3 CYS 23 2HB CYS 23 -0.030 3.174 -1.539 144 H THR 24 H THR 24 1.672 4.484 -3.828 145 HA THR 24 HA THR 24 1.529 6.870 -2.181 146 HB THR 24 HB THR 24 4.070 6.812 -3.018 147 HG1 THR 24 1HG THR 24 3.410 4.019 -3.195 148 HG21 THR 24 3HG2 THR 24 4.534 4.868 -1.393 149 HG22 THR 24 1HG2 THR 24 3.611 6.224 -0.702 150 HG23 THR 24 2HG2 THR 24 2.771 4.732 -1.190 151 H THR 25 H THR 25 -0.259 7.433 -4.007 152 HA THR 25 HA THR 25 1.161 9.324 -5.736 153 HB THR 25 HB THR 25 -0.584 8.644 -7.536 154 HG1 THR 25 1HG THR 25 -1.775 7.412 -5.766 155 HG21 THR 25 3HG2 THR 25 0.683 6.151 -7.568 156 HG22 THR 25 1HG2 THR 25 1.326 7.631 -8.319 157 HG23 THR 25 2HG2 THR 25 1.842 7.168 -6.679 158 HA PRO 26 HA PRO 26 -1.850 12.043 -4.345 159 HB2 PRO 26 1HB PRO 26 -1.865 13.925 -6.326 160 HB3 PRO 26 2HB PRO 26 -0.645 13.866 -5.069 161 HG2 PRO 26 1HG PRO 26 -0.424 13.068 -7.907 162 HG3 PRO 26 2HG PRO 26 0.856 13.417 -6.762 163 HD2 PRO 26 1HD PRO 26 0.004 10.824 -7.645 164 HD3 PRO 26 2HD PRO 26 1.203 11.171 -6.415 165 H GLY 27 H GLY 27 -3.982 11.886 -4.077 166 HA2 GLY 27 1HA GLY 27 -5.689 12.028 -6.368 167 HA3 GLY 27 2HA GLY 27 -5.563 10.393 -5.748 168 H GLN 28 H GLN 28 -7.522 10.065 -4.724 169 HA GLN 28 HA GLN 28 -8.251 12.093 -2.759 170 HB2 GLN 28 1HB GLN 28 -9.949 10.184 -4.406 171 HB3 GLN 28 2HB GLN 28 -10.585 10.985 -2.983 172 HG2 GLN 28 1HG GLN 28 -10.723 13.020 -4.029 173 HG3 GLN 28 2HG GLN 28 -9.169 12.832 -4.817 174 HE21 GLN 28 1HE2 GLN 28 -9.030 11.407 -6.674 175 HE22 GLN 28 2HE2 GLN 28 -10.377 11.251 -7.752 176 H THR 29 H THR 29 -7.437 8.720 -3.381 177 HA THR 29 HA THR 29 -7.762 8.188 -0.504 178 HB THR 29 HB THR 29 -8.645 6.007 -1.029 179 HG1 THR 29 1HG THR 29 -7.792 6.814 -3.720 180 HG21 THR 29 3HG2 THR 29 -9.954 8.298 -2.086 181 HG22 THR 29 1HG2 THR 29 -9.981 7.098 -3.400 182 HG23 THR 29 2HG2 THR 29 -10.680 6.696 -1.813 183 H CYS 30 H CYS 30 -5.439 9.305 -1.236 184 HA CYS 30 HA CYS 30 -3.555 7.493 -2.244 185 HB2 CYS 30 1HB CYS 30 -2.916 9.698 -2.427 186 HB3 CYS 30 2HB CYS 30 -3.444 10.112 -0.808 187 H TYR 31 H TYR 31 -3.893 8.830 1.133 188 HA TYR 31 HA TYR 31 -2.348 6.764 2.269 189 HB2 TYR 31 1HB TYR 31 -2.703 9.056 3.227 190 HB3 TYR 31 2HB TYR 31 -4.433 8.785 3.297 191 HD1 TYR 31 1HD TYR 31 -5.374 7.153 4.959 192 HD2 TYR 31 2HD TYR 31 -1.249 8.288 4.972 193 HE1 TYR 31 1HE TYR 31 -5.134 6.282 7.335 194 HE2 TYR 31 2HE TYR 31 -1.023 7.413 7.349 195 HH TYR 31 HH TYR 31 -2.812 5.358 8.688 196 H THR 32 H THR 32 -5.754 7.064 1.400 197 HA THR 32 HA THR 32 -6.732 5.125 3.225 198 HB THR 32 HB THR 32 -7.709 6.471 0.674 199 HG1 THR 32 1HG THR 32 -7.666 7.514 2.842 200 HG21 THR 32 3HG2 THR 32 -8.697 4.124 0.800 201 HG22 THR 32 1HG2 THR 32 -9.287 4.522 2.431 202 HG23 THR 32 2HG2 THR 32 -9.900 5.417 1.021 203 H CYS 33 H CYS 33 -5.484 4.983 -0.146 204 HA CYS 33 HA CYS 33 -6.144 2.270 -0.476 205 HB2 CYS 33 1HB CYS 33 -5.835 3.246 -2.497 206 HB3 CYS 33 2HB CYS 33 -4.558 4.304 -1.932 207 H CYS 34 H CYS 34 -3.608 4.048 1.187 208 HA CYS 34 HA CYS 34 -1.648 2.024 1.118 209 HB2 CYS 34 1HB CYS 34 -2.080 4.485 2.789 210 HB3 CYS 34 2HB CYS 34 -0.811 3.346 3.193 211 H SER 35 H SER 35 -4.737 2.174 2.497 212 HA SER 35 HA SER 35 -3.921 0.366 4.636 213 HB2 SER 35 1HB SER 35 -4.949 2.417 5.515 214 HB3 SER 35 2HB SER 35 -6.335 2.220 4.461 215 HG SER 35 HG SER 35 -7.174 1.189 6.149 216 H SER 36 H SER 36 -5.062 0.400 1.545 217 HA SER 36 HA SER 36 -7.046 -1.667 2.054 218 HB2 SER 36 1HB SER 36 -6.980 0.552 0.258 219 HB3 SER 36 2HB SER 36 -6.854 -0.884 -0.738 220 HG SER 36 HG SER 36 -9.071 -0.357 -0.394 221 H CYS 37 H CYS 37 -4.155 -0.807 0.045 222 HA CYS 37 HA CYS 37 -3.932 -3.582 -0.765 223 HB2 CYS 37 1HB CYS 37 -2.982 -0.997 -1.785 224 HB3 CYS 37 2HB CYS 37 -1.775 -2.265 -1.848 225 H PHE 38 H PHE 38 -3.608 -2.769 2.074 226 HA PHE 38 HA PHE 38 -1.048 -3.987 2.498 227 HB2 PHE 38 1HB PHE 38 -1.751 -1.093 3.249 228 HB3 PHE 38 2HB PHE 38 -0.480 -1.964 4.084 229 HD1 PHE 38 2HD PHE 38 0.907 -3.379 1.963 230 HD2 PHE 38 1HD PHE 38 -0.748 0.528 1.947 231 HE1 PHE 38 2HE PHE 38 2.543 -2.694 0.188 232 HE2 PHE 38 1HE PHE 38 0.889 1.213 0.171 233 HZ PHE 38 HZ PHE 38 2.515 -0.406 -0.687 234 H ASP 39 H ASP 39 -0.651 -4.226 4.970 235 HA ASP 39 HA ASP 39 -3.270 -4.618 6.186 236 HB2 ASP 39 1HB ASP 39 -2.106 -6.731 5.857 237 HB3 ASP 39 2HB ASP 39 -0.619 -6.084 6.523 238 H VAL 40 H VAL 40 -0.358 -5.140 8.079 239 HA VAL 40 HA VAL 40 -0.960 -2.740 9.622 240 HB VAL 40 HB VAL 40 -0.890 -4.977 10.692 241 HG11 VAL 40 1HG1 VAL 40 2.101 -4.876 10.189 242 HG12 VAL 40 2HG1 VAL 40 1.181 -6.160 11.010 243 HG13 VAL 40 3HG1 VAL 40 0.963 -5.885 9.264 244 HG21 VAL 40 3HG2 VAL 40 1.081 -2.855 11.575 245 HG22 VAL 40 1HG2 VAL 40 -0.589 -3.116 12.132 246 HG23 VAL 40 2HG2 VAL 40 0.686 -4.279 12.567 247 H VAL 41 H VAL 41 1.900 -4.518 8.249 248 HA VAL 41 HA VAL 41 3.597 -2.267 8.634 249 HB VAL 41 HB VAL 41 4.054 -4.652 6.845 250 HG11 VAL 41 1HG1 VAL 41 5.682 -2.757 6.766 251 HG12 VAL 41 2HG1 VAL 41 6.001 -3.013 8.499 252 HG13 VAL 41 3HG1 VAL 41 6.392 -4.291 7.324 253 HG21 VAL 41 3HG2 VAL 41 5.172 -5.591 8.999 254 HG22 VAL 41 1HG2 VAL 41 4.093 -4.462 9.853 255 HG23 VAL 41 2HG2 VAL 41 3.408 -5.731 8.808 256 H GLY 42 H GLY 42 1.946 -3.799 5.796 257 HA2 GLY 42 1HA GLY 42 2.886 -2.277 3.749 258 HA3 GLY 42 2HA GLY 42 1.243 -2.876 3.862 259 H GLU 43 H GLU 43 0.419 -1.372 6.224 260 HA GLU 43 HA GLU 43 -0.033 1.122 4.891 261 HB2 GLU 43 1HB GLU 43 -1.785 -0.299 6.170 262 HB3 GLU 43 2HB GLU 43 -1.055 0.318 7.639 263 HG2 GLU 43 1HG GLU 43 -1.363 2.669 6.290 264 HG3 GLU 43 2HG GLU 43 -2.678 1.762 5.570 265 H GLN 44 H GLN 44 1.594 -0.138 7.845 266 HA GLN 44 HA GLN 44 2.180 2.364 8.911 267 HB2 GLN 44 1HB GLN 44 3.432 -0.385 9.264 268 HB3 GLN 44 2HB GLN 44 4.003 1.011 10.156 269 HG2 GLN 44 1HG GLN 44 1.064 0.774 10.240 270 HG3 GLN 44 2HG GLN 44 1.855 -0.654 10.875 271 HE21 GLN 44 1HE2 GLN 44 1.262 2.735 11.246 272 HE22 GLN 44 2HE2 GLN 44 1.930 2.947 12.830 273 H ALA 45 H ALA 45 3.620 0.442 6.324 274 HA ALA 45 HA ALA 45 6.075 1.970 6.355 275 HB1 ALA 45 3HB ALA 45 4.956 -0.285 4.658 276 HB2 ALA 45 1HB ALA 45 6.492 0.529 4.276 277 HB3 ALA 45 2HB ALA 45 6.306 -0.342 5.817 278 H CYS 46 H CYS 46 3.079 1.594 4.371 279 HA CYS 46 HA CYS 46 3.889 3.436 2.413 280 HB2 CYS 46 1HB CYS 46 2.112 1.669 2.192 281 HB3 CYS 46 2HB CYS 46 1.061 2.679 3.166 282 H GLN 47 H GLN 47 2.280 3.628 5.597 283 HA GLN 47 HA GLN 47 1.166 6.111 5.404 284 HB2 GLN 47 1HB GLN 47 2.134 4.349 7.603 285 HB3 GLN 47 2HB GLN 47 1.994 6.044 8.028 286 HG2 GLN 47 1HG GLN 47 -0.371 5.668 6.658 287 HG3 GLN 47 2HG GLN 47 -0.145 4.075 7.354 288 HE21 GLN 47 1HE2 GLN 47 -1.325 3.887 9.092 289 HE22 GLN 47 2HE2 GLN 47 -1.492 5.033 10.380 290 H MET 48 H MET 48 4.565 5.147 6.035 291 HA MET 48 HA MET 48 5.372 7.777 6.678 292 HB2 MET 48 1HB MET 48 6.772 5.156 5.984 293 HB3 MET 48 2HB MET 48 7.711 6.623 6.181 294 HG2 MET 48 1HG MET 48 6.201 6.771 8.451 295 HG3 MET 48 2HG MET 48 6.215 5.031 8.242 296 HE1 MET 48 3HE MET 48 8.629 6.451 10.938 297 HE2 MET 48 1HE MET 48 8.785 7.877 9.885 298 HE3 MET 48 2HE MET 48 7.179 7.181 10.208 299 H SER 49 H SER 49 5.176 5.797 3.712 300 HA SER 49 HA SER 49 6.618 7.821 2.250 301 HB2 SER 49 1HB SER 49 5.669 5.019 1.696 302 HB3 SER 49 2HB SER 49 5.898 6.083 0.322 303 HG SER 49 HG SER 49 7.847 5.221 2.265 304 H ALA 50 H ALA 50 3.638 7.742 3.501 305 HA ALA 50 HA ALA 50 1.893 7.999 1.331 306 HB1 ALA 50 3HB ALA 50 0.345 8.826 2.967 307 HB2 ALA 50 1HB ALA 50 1.354 7.610 3.788 308 HB3 ALA 50 2HB ALA 50 1.662 9.344 4.047 309 H GLN 51 H GLN 51 2.916 9.292 -0.290 310 HA GLN 51 HA GLN 51 3.459 12.025 0.498 311 HB2 GLN 51 1HB GLN 51 4.761 10.242 -1.232 312 HB3 GLN 51 2HB GLN 51 3.939 11.338 -2.325 313 HG2 GLN 51 1HG GLN 51 5.428 12.519 0.022 314 HG3 GLN 51 2HG GLN 51 6.364 11.913 -1.330 315 HE21 GLN 51 1HE2 GLN 51 6.686 14.441 -0.929 316 HE22 GLN 51 2HE2 GLN 51 5.824 15.453 -2.039 317 H CYS 52 H CYS 52 0.939 12.074 0.813 318 HA CYS 52 HA CYS 52 -0.429 12.388 -1.727 319 HB2 CYS 52 1HB CYS 52 -1.838 12.839 0.850 320 HB3 CYS 52 2HB CYS 52 -2.397 12.076 -0.625 Start of MODEL 20 1 H1 ASN 1 1H ASN 1 9.632 -3.265 2.035 2 HA ASN 1 HA ASN 1 10.005 -4.569 -0.339 3 HB2 ASN 1 1HB ASN 1 11.555 -5.810 1.669 4 HB3 ASN 1 2HB ASN 1 10.109 -6.798 1.606 5 HD21 ASN 1 1HD2 ASN 1 12.552 -7.791 0.893 6 HD22 ASN 1 2HD2 ASN 1 12.617 -8.119 -0.807 7 HA PRO 2 HA PRO 2 5.832 -4.797 1.234 8 HB2 PRO 2 1HB PRO 2 4.563 -4.710 -1.185 9 HB3 PRO 2 2HB PRO 2 5.012 -3.274 -0.287 10 HG2 PRO 2 1HG PRO 2 6.282 -4.426 -2.695 11 HG3 PRO 2 2HG PRO 2 6.433 -2.806 -2.043 12 HD2 PRO 2 1HD PRO 2 8.355 -4.926 -1.838 13 HD3 PRO 2 2HD PRO 2 8.454 -3.345 -1.087 14 H GLU 3 H GLU 3 7.728 -7.002 -0.200 15 HA GLU 3 HA GLU 3 5.954 -8.879 -1.114 16 HB2 GLU 3 1HB GLU 3 7.810 -10.528 -0.563 17 HB3 GLU 3 2HB GLU 3 8.300 -9.157 -1.538 18 HG2 GLU 3 1HG GLU 3 9.927 -8.790 0.007 19 HG3 GLU 3 2HG GLU 3 8.660 -8.209 1.069 20 H ASP 4 H ASP 4 7.089 -8.155 2.220 21 HA ASP 4 HA ASP 4 5.797 -10.418 3.311 22 HB2 ASP 4 1HB ASP 4 7.783 -8.886 4.215 23 HB3 ASP 4 2HB ASP 4 6.483 -7.934 4.902 24 H TRP 5 H TRP 5 5.140 -6.887 2.932 25 HA TRP 5 HA TRP 5 2.577 -7.170 4.278 26 HB2 TRP 5 1HB TRP 5 3.152 -4.580 3.091 27 HB3 TRP 5 2HB TRP 5 2.736 -5.004 4.740 28 HD1 TRP 5 HD TRP 5 5.163 -6.425 5.913 29 HE1 TRP 5 1HE TRP 5 7.599 -5.427 6.100 30 HE3 TRP 5 3HE TRP 5 4.593 -2.961 2.234 31 HZ2 TRP 5 2HZ TRP 5 8.983 -3.348 4.719 32 HZ3 TRP 5 3HZ TRP 5 6.536 -1.487 1.716 33 HH2 TRP 5 HH TRP 5 8.674 -1.639 2.891 34 H PHE 6 H PHE 6 1.361 -5.032 2.581 35 HA PHE 6 HA PHE 6 0.045 -4.879 0.820 36 HB2 PHE 6 1HB PHE 6 2.115 -4.696 -0.469 37 HB3 PHE 6 2HB PHE 6 2.461 -6.404 -0.283 38 HD1 PHE 6 1HD PHE 6 -0.288 -4.279 -1.671 39 HD2 PHE 6 2HD PHE 6 2.174 -7.701 -2.157 40 HE1 PHE 6 1HE PHE 6 -1.366 -4.739 -3.891 41 HE2 PHE 6 2HE PHE 6 1.097 -8.161 -4.377 42 HZ PHE 6 HZ PHE 6 -0.660 -6.675 -5.217 43 H THR 7 H THR 7 -1.895 -5.897 0.714 44 HA THR 7 HA THR 7 -1.845 -8.836 0.496 45 HB THR 7 HB THR 7 -4.111 -8.627 1.661 46 HG1 THR 7 1HG THR 7 -4.774 -6.530 1.966 47 HG21 THR 7 3HG2 THR 7 -2.984 -8.878 3.631 48 HG22 THR 7 1HG2 THR 7 -1.501 -8.317 2.823 49 HG23 THR 7 2HG2 THR 7 -2.572 -7.147 3.630 50 HA PRO 8 HA PRO 8 -3.574 -7.627 -3.388 51 HB2 PRO 8 1HB PRO 8 -2.607 -9.746 -4.817 52 HB3 PRO 8 2HB PRO 8 -1.741 -8.233 -4.642 53 HG2 PRO 8 1HG PRO 8 -1.223 -10.828 -3.325 54 HG3 PRO 8 2HG PRO 8 -0.151 -9.452 -3.499 55 HD2 PRO 8 1HD PRO 8 -1.579 -10.226 -1.135 56 HD3 PRO 8 2HD PRO 8 -0.600 -8.788 -1.344 57 H ASP 9 H ASP 9 -4.000 -10.257 -1.337 58 HA ASP 9 HA ASP 9 -5.883 -11.606 -2.919 59 HB2 ASP 9 1HB ASP 9 -4.589 -11.970 -0.421 60 HB3 ASP 9 2HB ASP 9 -6.294 -11.884 -0.026 61 H THR 10 H THR 10 -5.897 -8.591 -1.308 62 HA THR 10 HA THR 10 -8.813 -8.481 -1.437 63 HB THR 10 HB THR 10 -8.163 -9.087 0.926 64 HG1 THR 10 1HG THR 10 -9.951 -7.771 1.046 65 HG21 THR 10 3HG2 THR 10 -7.249 -6.464 1.721 66 HG22 THR 10 1HG2 THR 10 -6.427 -8.024 1.960 67 HG23 THR 10 2HG2 THR 10 -6.132 -7.080 0.480 68 H CYS 11 H CYS 11 -6.962 -7.554 -3.344 69 HA CYS 11 HA CYS 11 -7.516 -4.719 -3.086 70 HB2 CYS 11 1HB CYS 11 -5.023 -5.553 -2.443 71 HB3 CYS 11 2HB CYS 11 -4.833 -5.344 -4.173 72 H ALA 12 H ALA 12 -6.898 -3.677 -5.385 73 HA ALA 12 HA ALA 12 -8.212 -5.348 -7.331 74 HB1 ALA 12 3HB ALA 12 -8.999 -3.262 -7.722 75 HB2 ALA 12 1HB ALA 12 -7.623 -2.490 -6.897 76 HB3 ALA 12 2HB ALA 12 -7.469 -3.003 -8.595 77 H TYR 13 H TYR 13 -4.958 -3.994 -6.647 78 HA TYR 13 HA TYR 13 -3.921 -5.067 -9.126 79 HB2 TYR 13 1HB TYR 13 -2.507 -3.892 -6.661 80 HB3 TYR 13 2HB TYR 13 -1.883 -3.918 -8.298 81 HD1 TYR 13 2HD TYR 13 -3.573 -2.701 -10.065 82 HD2 TYR 13 1HD TYR 13 -3.276 -1.852 -5.882 83 HE1 TYR 13 2HE TYR 13 -4.531 -0.379 -10.461 84 HE2 TYR 13 1HE TYR 13 -4.235 0.466 -6.292 85 HH TYR 13 HH TYR 13 -4.888 1.592 -9.580 86 H GLY 14 H GLY 14 -2.224 -6.665 -9.245 87 HA2 GLY 14 1HA GLY 14 -2.340 -8.569 -6.995 88 HA3 GLY 14 2HA GLY 14 -2.018 -8.964 -8.671 89 H ASP 15 H ASP 15 -0.334 -6.221 -8.575 90 HA ASP 15 HA ASP 15 2.078 -7.630 -7.861 91 HB2 ASP 15 1HB ASP 15 1.945 -4.807 -8.965 92 HB3 ASP 15 2HB ASP 15 3.235 -5.980 -9.143 93 H SER 16 H SER 16 3.551 -6.800 -6.234 94 HA SER 16 HA SER 16 2.253 -5.184 -4.273 95 HB2 SER 16 1HB SER 16 4.351 -5.630 -2.948 96 HB3 SER 16 2HB SER 16 3.533 -7.082 -3.491 97 HG SER 16 HG SER 16 5.348 -7.640 -4.460 98 H ASN 17 H ASN 17 4.955 -4.945 -6.627 99 HA ASN 17 HA ASN 17 6.014 -2.578 -5.653 100 HB2 ASN 17 1HB ASN 17 5.969 -3.762 -8.477 101 HB3 ASN 17 2HB ASN 17 6.940 -2.370 -8.040 102 HD21 ASN 17 1HD2 ASN 17 8.279 -4.387 -9.021 103 HD22 ASN 17 2HD2 ASN 17 9.162 -5.278 -7.826 104 H THR 18 H THR 18 3.671 -3.312 -8.345 105 HA THR 18 HA THR 18 3.191 -0.593 -8.979 106 HB THR 18 HB THR 18 2.780 -3.003 -10.202 107 HG1 THR 18 1HG THR 18 2.664 -0.686 -10.970 108 HG21 THR 18 3HG2 THR 18 -0.036 -2.047 -9.590 109 HG22 THR 18 1HG2 THR 18 0.489 -3.605 -10.272 110 HG23 THR 18 2HG2 THR 18 0.721 -3.269 -8.540 111 H ALA 19 H ALA 19 1.737 -2.903 -6.678 112 HA ALA 19 HA ALA 19 -0.589 -1.460 -6.160 113 HB1 ALA 19 3HB ALA 19 1.095 -3.461 -4.643 114 HB2 ALA 19 1HB ALA 19 -0.331 -2.713 -3.883 115 HB3 ALA 19 2HB ALA 19 -0.515 -3.671 -5.372 116 H TRP 20 H TRP 20 2.549 -1.522 -4.314 117 HA TRP 20 HA TRP 20 1.885 0.512 -2.561 118 HB2 TRP 20 1HB TRP 20 3.737 -0.915 -2.126 119 HB3 TRP 20 2HB TRP 20 4.536 -0.462 -3.619 120 HD1 TRP 20 HD TRP 20 5.027 2.476 -3.620 121 HE1 TRP 20 1HE TRP 20 6.211 3.909 -1.746 122 HE3 TRP 20 3HE TRP 20 4.228 -0.837 0.154 123 HZ2 TRP 20 2HZ TRP 20 6.669 3.505 1.041 124 HZ3 TRP 20 3HZ TRP 20 5.076 -0.240 2.421 125 HH2 TRP 20 HH TRP 20 6.260 1.845 2.895 126 H THR 21 H THR 21 3.555 0.587 -5.782 127 HA THR 21 HA THR 21 4.032 3.319 -5.870 128 HB THR 21 HB THR 21 3.810 1.013 -7.779 129 HG1 THR 21 1HG THR 21 5.810 1.707 -6.768 130 HG21 THR 21 3HG2 THR 21 4.510 2.957 -9.528 131 HG22 THR 21 1HG2 THR 21 2.822 2.418 -9.368 132 HG23 THR 21 2HG2 THR 21 3.366 3.898 -8.541 133 H THR 22 H THR 22 1.203 1.510 -7.250 134 HA THR 22 HA THR 22 -0.156 3.828 -8.039 135 HB THR 22 HB THR 22 -1.186 1.041 -7.285 136 HG1 THR 22 1HG THR 22 0.144 0.695 -9.038 137 HG21 THR 22 3HG2 THR 22 -2.325 3.359 -8.906 138 HG22 THR 22 1HG2 THR 22 -2.798 1.677 -9.244 139 HG23 THR 22 2HG2 THR 22 -3.136 2.393 -7.650 140 H CYS 23 H CYS 23 0.463 2.536 -4.888 141 HA CYS 23 HA CYS 23 -1.888 3.740 -3.748 142 HB2 CYS 23 1HB CYS 23 0.108 1.816 -2.928 143 HB3 CYS 23 2HB CYS 23 -0.075 3.061 -1.708 144 H THR 24 H THR 24 1.642 4.307 -4.121 145 HA THR 24 HA THR 24 1.526 6.711 -2.507 146 HB THR 24 HB THR 24 4.010 6.735 -3.267 147 HG1 THR 24 1HG THR 24 3.865 5.412 -5.125 148 HG21 THR 24 3HG2 THR 24 4.647 5.110 -1.679 149 HG22 THR 24 1HG2 THR 24 2.980 5.451 -1.159 150 HG23 THR 24 2HG2 THR 24 3.328 4.006 -2.138 151 H THR 25 H THR 25 -0.301 7.486 -4.025 152 HA THR 25 HA THR 25 0.983 9.291 -5.911 153 HB THR 25 HB THR 25 -0.864 8.613 -7.610 154 HG1 THR 25 1HG THR 25 -1.417 6.241 -7.063 155 HG21 THR 25 3HG2 THR 25 1.705 7.619 -7.324 156 HG22 THR 25 1HG2 THR 25 0.738 6.129 -7.198 157 HG23 THR 25 2HG2 THR 25 0.603 7.159 -8.644 158 HA PRO 26 HA PRO 26 -1.965 11.992 -4.362 159 HB2 PRO 26 1HB PRO 26 -2.172 13.837 -6.367 160 HB3 PRO 26 2HB PRO 26 -0.853 13.820 -5.214 161 HG2 PRO 26 1HG PRO 26 -0.849 12.972 -8.046 162 HG3 PRO 26 2HG PRO 26 0.513 13.363 -7.014 163 HD2 PRO 26 1HD PRO 26 -0.363 10.742 -7.780 164 HD3 PRO 26 2HD PRO 26 0.926 11.130 -6.657 165 H GLY 27 H GLY 27 -4.046 11.706 -3.905 166 HA2 GLY 27 1HA GLY 27 -5.979 11.893 -5.985 167 HA3 GLY 27 2HA GLY 27 -5.715 10.222 -5.530 168 H GLN 28 H GLN 28 -7.966 10.214 -4.736 169 HA GLN 28 HA GLN 28 -8.475 11.886 -2.458 170 HB2 GLN 28 1HB GLN 28 -10.123 9.908 -4.063 171 HB3 GLN 28 2HB GLN 28 -10.711 10.520 -2.530 172 HG2 GLN 28 1HG GLN 28 -11.474 12.348 -3.633 173 HG3 GLN 28 2HG GLN 28 -9.806 12.828 -3.879 174 HE21 GLN 28 1HE2 GLN 28 -12.693 11.850 -5.311 175 HE22 GLN 28 2HE2 GLN 28 -12.158 11.615 -6.942 176 H THR 29 H THR 29 -7.581 8.540 -3.246 177 HA THR 29 HA THR 29 -7.641 7.929 -0.362 178 HB THR 29 HB THR 29 -8.024 5.555 -1.120 179 HG1 THR 29 1HG THR 29 -8.076 5.227 -3.361 180 HG21 THR 29 3HG2 THR 29 -9.982 7.530 -2.410 181 HG22 THR 29 1HG2 THR 29 -10.319 5.824 -2.027 182 HG23 THR 29 2HG2 THR 29 -10.054 6.996 -0.713 183 H CYS 30 H CYS 30 -5.490 9.344 -1.133 184 HA CYS 30 HA CYS 30 -3.437 7.784 -2.235 185 HB2 CYS 30 1HB CYS 30 -3.138 10.085 -2.389 186 HB3 CYS 30 2HB CYS 30 -3.549 10.364 -0.708 187 H TYR 31 H TYR 31 -4.260 8.788 1.167 188 HA TYR 31 HA TYR 31 -2.323 6.917 2.216 189 HB2 TYR 31 1HB TYR 31 -2.682 9.147 3.250 190 HB3 TYR 31 2HB TYR 31 -4.415 8.893 3.303 191 HD1 TYR 31 1HD TYR 31 -5.390 7.266 4.943 192 HD2 TYR 31 2HD TYR 31 -1.246 8.327 4.991 193 HE1 TYR 31 1HE TYR 31 -5.179 6.363 7.310 194 HE2 TYR 31 2HE TYR 31 -1.049 7.421 7.358 195 HH TYR 31 HH TYR 31 -2.674 5.429 8.663 196 H THR 32 H THR 32 -5.758 7.047 1.461 197 HA THR 32 HA THR 32 -6.576 5.065 3.329 198 HB THR 32 HB THR 32 -7.762 6.212 0.751 199 HG1 THR 32 1HG THR 32 -8.171 6.473 3.648 200 HG21 THR 32 3HG2 THR 32 -9.552 4.807 0.970 201 HG22 THR 32 1HG2 THR 32 -8.591 3.858 2.129 202 HG23 THR 32 2HG2 THR 32 -9.658 5.158 2.712 203 H CYS 33 H CYS 33 -5.489 4.998 -0.102 204 HA CYS 33 HA CYS 33 -6.053 2.287 -0.469 205 HB2 CYS 33 1HB CYS 33 -5.772 3.440 -2.437 206 HB3 CYS 33 2HB CYS 33 -4.375 4.328 -1.861 207 H CYS 34 H CYS 34 -3.492 4.085 1.169 208 HA CYS 34 HA CYS 34 -1.524 2.084 1.078 209 HB2 CYS 34 1HB CYS 34 -1.987 4.533 2.744 210 HB3 CYS 34 2HB CYS 34 -0.744 3.391 3.215 211 H SER 35 H SER 35 -4.607 2.189 2.497 212 HA SER 35 HA SER 35 -3.755 0.332 4.580 213 HB2 SER 35 1HB SER 35 -4.784 2.347 5.527 214 HB3 SER 35 2HB SER 35 -6.175 2.183 4.475 215 HG SER 35 HG SER 35 -7.055 0.906 5.938 216 H SER 36 H SER 36 -4.930 0.429 1.504 217 HA SER 36 HA SER 36 -6.901 -1.656 1.985 218 HB2 SER 36 1HB SER 36 -7.325 0.520 0.540 219 HB3 SER 36 2HB SER 36 -6.433 -0.339 -0.700 220 HG SER 36 HG SER 36 -8.376 -1.161 -1.139 221 H CYS 37 H CYS 37 -3.998 -0.756 0.021 222 HA CYS 37 HA CYS 37 -3.787 -3.505 -0.878 223 HB2 CYS 37 1HB CYS 37 -2.873 -0.903 -1.838 224 HB3 CYS 37 2HB CYS 37 -1.601 -2.108 -1.864 225 H PHE 38 H PHE 38 -3.483 -2.782 1.989 226 HA PHE 38 HA PHE 38 -0.939 -4.034 2.399 227 HB2 PHE 38 1HB PHE 38 -1.624 -1.173 3.295 228 HB3 PHE 38 2HB PHE 38 -0.312 -2.085 4.014 229 HD1 PHE 38 2HD PHE 38 1.271 -3.206 2.071 230 HD2 PHE 38 1HD PHE 38 -0.983 0.373 1.725 231 HE1 PHE 38 2HE PHE 38 2.819 -2.406 0.264 232 HE2 PHE 38 1HE PHE 38 0.565 1.173 -0.082 233 HZ PHE 38 HZ PHE 38 2.447 -0.226 -0.791 234 H ASP 39 H ASP 39 -0.554 -4.169 4.945 235 HA ASP 39 HA ASP 39 -3.188 -4.696 6.076 236 HB2 ASP 39 1HB ASP 39 -1.905 -6.752 5.780 237 HB3 ASP 39 2HB ASP 39 -0.486 -6.037 6.519 238 H VAL 40 H VAL 40 -0.345 -5.102 8.083 239 HA VAL 40 HA VAL 40 -1.062 -2.682 9.550 240 HB VAL 40 HB VAL 40 -1.053 -4.893 10.673 241 HG11 VAL 40 1HG1 VAL 40 0.993 -6.069 11.133 242 HG12 VAL 40 2HG1 VAL 40 0.883 -5.827 9.373 243 HG13 VAL 40 3HG1 VAL 40 1.963 -4.800 10.348 244 HG21 VAL 40 3HG2 VAL 40 -0.869 -3.209 12.229 245 HG22 VAL 40 1HG2 VAL 40 0.646 -4.090 12.539 246 HG23 VAL 40 2HG2 VAL 40 0.666 -2.603 11.560 247 H VAL 41 H VAL 41 1.880 -4.482 8.395 248 HA VAL 41 HA VAL 41 3.555 -2.231 8.837 249 HB VAL 41 HB VAL 41 4.026 -4.703 7.161 250 HG11 VAL 41 1HG1 VAL 41 5.981 -2.845 8.558 251 HG12 VAL 41 2HG1 VAL 41 6.394 -4.293 7.609 252 HG13 VAL 41 3HG1 VAL 41 5.656 -2.885 6.808 253 HG21 VAL 41 3HG2 VAL 41 3.583 -5.725 9.155 254 HG22 VAL 41 1HG2 VAL 41 5.284 -5.289 9.450 255 HG23 VAL 41 2HG2 VAL 41 3.978 -4.278 10.114 256 H GLY 42 H GLY 42 1.973 -3.741 5.956 257 HA2 GLY 42 1HA GLY 42 3.065 -2.179 3.965 258 HA3 GLY 42 2HA GLY 42 1.458 -2.879 3.945 259 H GLU 43 H GLU 43 0.531 -1.395 6.377 260 HA GLU 43 HA GLU 43 -0.157 1.004 4.981 261 HB2 GLU 43 1HB GLU 43 -1.660 -0.558 6.501 262 HB3 GLU 43 2HB GLU 43 -0.996 0.384 7.821 263 HG2 GLU 43 1HG GLU 43 -1.956 2.001 5.507 264 HG3 GLU 43 2HG GLU 43 -3.212 1.109 6.342 265 H GLN 44 H GLN 44 1.464 0.089 8.096 266 HA GLN 44 HA GLN 44 2.012 2.714 8.830 267 HB2 GLN 44 1HB GLN 44 3.219 1.777 10.617 268 HB3 GLN 44 2HB GLN 44 2.072 0.512 10.227 269 HG2 GLN 44 1HG GLN 44 3.947 -0.814 10.184 270 HG3 GLN 44 2HG GLN 44 4.092 -0.211 8.546 271 HE21 GLN 44 1HE2 GLN 44 6.242 -0.180 8.332 272 HE22 GLN 44 2HE2 GLN 44 7.335 0.795 9.258 273 H ALA 45 H ALA 45 3.481 0.533 6.509 274 HA ALA 45 HA ALA 45 5.982 1.985 6.466 275 HB1 ALA 45 3HB ALA 45 6.630 0.326 4.821 276 HB2 ALA 45 1HB ALA 45 5.801 -0.506 6.159 277 HB3 ALA 45 2HB ALA 45 4.943 -0.207 4.628 278 H CYS 46 H CYS 46 2.941 1.649 4.582 279 HA CYS 46 HA CYS 46 3.895 3.303 2.473 280 HB2 CYS 46 1HB CYS 46 2.165 1.514 2.226 281 HB3 CYS 46 2HB CYS 46 1.049 2.518 3.130 282 H GLN 47 H GLN 47 2.342 3.685 5.626 283 HA GLN 47 HA GLN 47 1.070 6.076 5.282 284 HB2 GLN 47 1HB GLN 47 2.237 4.568 7.573 285 HB3 GLN 47 2HB GLN 47 1.995 6.279 7.861 286 HG2 GLN 47 1HG GLN 47 -0.392 5.693 6.670 287 HG3 GLN 47 2HG GLN 47 -0.035 4.127 7.370 288 HE21 GLN 47 1HE2 GLN 47 -1.114 3.890 9.168 289 HE22 GLN 47 2HE2 GLN 47 -1.286 5.041 10.451 290 H MET 48 H MET 48 4.443 5.552 6.557 291 HA MET 48 HA MET 48 5.051 8.266 6.542 292 HB2 MET 48 1HB MET 48 6.729 5.706 6.500 293 HB3 MET 48 2HB MET 48 7.480 7.286 6.604 294 HG2 MET 48 1HG MET 48 5.718 7.620 8.607 295 HG3 MET 48 2HG MET 48 5.753 5.869 8.636 296 HE1 MET 48 3HE MET 48 9.431 4.999 9.333 297 HE2 MET 48 1HE MET 48 7.763 4.456 9.637 298 HE3 MET 48 2HE MET 48 8.295 4.810 7.976 299 H SER 49 H SER 49 4.534 6.146 3.940 300 HA SER 49 HA SER 49 6.471 7.494 2.262 301 HB2 SER 49 1HB SER 49 6.220 5.722 0.730 302 HB3 SER 49 2HB SER 49 6.065 4.924 2.283 303 HG SER 49 HG SER 49 3.869 5.787 0.598 304 H ALA 50 H ALA 50 3.001 7.207 2.963 305 HA ALA 50 HA ALA 50 1.857 8.137 0.669 306 HB1 ALA 50 3HB ALA 50 0.988 7.480 3.140 307 HB2 ALA 50 1HB ALA 50 0.862 9.251 3.257 308 HB3 ALA 50 2HB ALA 50 -0.013 8.379 1.975 309 H GLN 51 H GLN 51 2.644 9.784 -0.571 310 HA GLN 51 HA GLN 51 3.529 12.160 0.844 311 HB2 GLN 51 1HB GLN 51 4.721 10.752 -1.204 312 HB3 GLN 51 2HB GLN 51 3.892 12.005 -2.107 313 HG2 GLN 51 1HG GLN 51 5.431 12.837 0.349 314 HG3 GLN 51 2HG GLN 51 6.352 12.386 -1.073 315 HE21 GLN 51 1HE2 GLN 51 6.726 13.867 -2.538 316 HE22 GLN 51 2HE2 GLN 51 5.882 15.364 -2.752 317 H CYS 52 H CYS 52 0.882 12.077 1.095 318 HA CYS 52 HA CYS 52 -0.310 13.382 -1.206 319 HB2 CYS 52 1HB CYS 52 -2.010 13.057 1.141 320 HB3 CYS 52 2HB CYS 52 -2.268 12.568 -0.522
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