NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10464 | 1ps2 | 4933 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 HT2 GLU 1 5.656 -17.762 -17.762 2 2H GLU 1 HT1 GLU 1 6.979 -18.827 -18.827 3 3H GLU 1 HT3 GLU 1 7.189 -17.248 -17.248 4 HA GLU 1 HA GLU 1 7.880 -16.774 -16.774 5 1HB GLU 1 HB2 GLU 1 7.348 -18.255 -18.255 6 2HB GLU 1 HB1 GLU 1 8.099 -19.122 -19.122 7 1HG GLU 1 HG2 GLU 1 6.143 -20.226 -20.226 8 2HG GLU 1 HG1 GLU 1 5.112 -18.945 -18.945 9 H ALA 2 HN ALA 2 6.993 -15.586 -15.586 10 HA ALA 2 HA ALA 2 4.138 -15.465 -15.465 11 1HB ALA 2 HB2 ALA 2 5.548 -13.363 -13.363 12 2HB ALA 2 HB1 ALA 2 4.142 -12.944 -12.944 13 3HB ALA 2 HB3 ALA 2 3.997 -14.144 -14.144 14 H GLN 3 HN GLN 3 3.607 -13.679 -13.679 15 HA GLN 3 HA GLN 3 5.953 -13.283 -13.283 16 1HB GLN 3 HB2 GLN 3 3.000 -13.590 -13.590 17 2HB GLN 3 HB1 GLN 3 4.136 -12.981 -12.981 18 1HG GLN 3 HG2 GLN 3 4.349 -15.196 -15.196 19 2HG GLN 3 HG1 GLN 3 5.476 -15.188 -15.188 20 1HE2 GLN 3 HE22 GLN 3 1.696 -16.696 -16.696 21 2HE2 GLN 3 HE21 GLN 3 1.904 -15.475 -15.475 22 H THR 4 HN THR 4 5.646 -11.230 -11.230 23 HA THR 4 HA THR 4 4.396 -9.063 -9.063 24 HB THR 4 HB THR 4 6.395 -7.651 -7.651 25 HG1 THR 4 HG1 THR 4 7.071 -10.174 -10.174 26 1HG2 THR 4 HG22 THR 4 6.766 -9.961 -9.961 27 2HG2 THR 4 HG21 THR 4 7.851 -8.573 -8.573 28 3HG2 THR 4 HG23 THR 4 6.171 -8.345 -8.345 29 H GLU 5 HN GLU 5 3.448 -7.403 -7.403 30 HA GLU 5 HA GLU 5 2.955 -8.092 -8.092 31 1HB GLU 5 HB2 GLU 5 1.894 -6.043 -6.043 32 2HB GLU 5 HB1 GLU 5 1.603 -5.860 -5.860 33 1HG GLU 5 HG2 GLU 5 0.915 -8.436 -8.436 34 2HG GLU 5 HG1 GLU 5 0.568 -7.926 -7.926 35 H THR 6 HN THR 6 3.833 -7.010 -7.010 36 HA THR 6 HA THR 6 5.296 -4.508 -4.508 37 HB THR 6 HB THR 6 6.706 -6.773 -6.773 38 HG1 THR 6 HG1 THR 6 7.831 -6.898 -6.898 39 1HG2 THR 6 HG22 THR 6 7.448 -4.112 -4.112 40 2HG2 THR 6 HG21 THR 6 8.670 -5.352 -5.352 41 3HG2 THR 6 HG23 THR 6 7.740 -4.703 -4.703 42 H CYS 7 HN CYS 7 4.777 -3.158 -3.158 43 HA CYS 7 HA CYS 7 3.935 -4.411 -4.411 44 1HB CYS 7 HB2 CYS 7 3.171 -1.726 -1.726 45 2HB CYS 7 HB1 CYS 7 2.634 -2.338 -2.338 46 H THR 8 HN THR 8 6.314 -2.447 -2.447 47 HA THR 8 HA THR 8 7.016 -0.808 -0.808 48 HB THR 8 HB THR 8 7.722 -0.125 -0.125 49 HG1 THR 8 HG1 THR 8 10.089 -1.085 -1.085 50 1HG2 THR 8 HG22 THR 8 8.398 -2.941 -2.941 51 2HG2 THR 8 HG21 THR 8 9.753 -1.918 -1.918 52 3HG2 THR 8 HG23 THR 8 8.186 -1.728 -1.728 53 H VAL 9 HN VAL 9 7.309 -2.077 -2.077 54 HA VAL 9 HA VAL 9 9.527 -4.049 -4.049 55 HB VAL 9 HB VAL 9 7.204 -4.022 -4.022 56 1HG1 VAL 9 HG12 VAL 9 9.661 -5.684 -5.684 57 2HG1 VAL 9 HG11 VAL 9 8.183 -6.504 -6.504 58 3HG1 VAL 9 HG13 VAL 9 8.845 -5.204 -5.204 59 1HG2 VAL 9 HG23 VAL 9 7.642 -5.367 -5.367 60 2HG2 VAL 9 HG22 VAL 9 6.159 -4.699 -4.699 61 3HG2 VAL 9 HG21 VAL 9 6.776 -6.246 -6.246 62 H ALA 10 HN ALA 10 10.657 -4.264 -4.264 63 HA ALA 10 HA ALA 10 11.631 -1.715 -1.715 64 1HB ALA 10 HB2 ALA 10 12.120 -4.506 -4.506 65 2HB ALA 10 HB1 ALA 10 12.246 -3.455 -3.455 66 3HB ALA 10 HB3 ALA 10 13.242 -3.147 -3.147 67 HA PRO 11 HA PRO 11 8.175 -0.142 -0.142 68 1HB PRO 11 HB2 PRO 11 10.264 0.987 0.987 69 2HB PRO 11 HB1 PRO 11 9.006 1.811 1.811 70 1HG PRO 11 HG2 PRO 11 11.761 1.509 1.509 71 2HG PRO 11 HG1 PRO 11 10.496 2.310 2.310 72 1HD PRO 11 HD2 PRO 11 11.812 -0.035 -0.035 73 2HD PRO 11 HD1 PRO 11 10.280 0.539 0.539 74 H ARG 12 HN ARG 12 11.089 -1.384 -1.384 75 HA ARG 12 HA ARG 12 9.557 -2.108 -2.108 76 1HB ARG 12 HB2 ARG 12 12.385 -2.512 -2.512 77 2HB ARG 12 HB1 ARG 12 11.780 -3.434 -3.434 78 1HG ARG 12 HG2 ARG 12 11.680 -1.599 -1.599 79 2HG ARG 12 HG1 ARG 12 11.159 -0.536 -0.536 80 1HD ARG 12 HD2 ARG 12 13.703 -1.130 -1.130 81 2HD ARG 12 HD1 ARG 12 13.888 -1.153 -1.153 82 HE ARG 12 HE ARG 12 12.475 1.155 1.155 83 1HH1 ARG 12 HH11 ARG 12 15.442 -0.238 -0.238 84 2HH1 ARG 12 HH12 ARG 12 16.181 1.294 1.294 85 1HH2 ARG 12 HH21 ARG 12 13.463 3.150 3.150 86 2HH2 ARG 12 HH22 ARG 12 15.064 3.203 3.203 87 H GLU 13 HN GLU 13 10.856 -3.847 -3.847 88 HA GLU 13 HA GLU 13 9.849 -6.395 -6.395 89 1HB GLU 13 HB2 GLU 13 11.334 -5.475 -5.475 90 2HB GLU 13 HB1 GLU 13 10.526 -7.042 -7.042 91 1HG GLU 13 HG2 GLU 13 11.752 -7.703 -7.703 92 2HG GLU 13 HG1 GLU 13 12.561 -6.135 -6.135 93 H ARG 14 HN ARG 14 7.830 -4.343 -4.343 94 HA ARG 14 HA ARG 14 6.336 -5.250 -5.250 95 1HB ARG 14 HB2 ARG 14 6.287 -2.776 -2.776 96 2HB ARG 14 HB1 ARG 14 4.814 -3.260 -3.260 97 1HG ARG 14 HG2 ARG 14 6.473 -3.534 -3.534 98 2HG ARG 14 HG1 ARG 14 7.444 -2.383 -2.383 99 1HD ARG 14 HD2 ARG 14 5.241 -1.019 -1.019 100 2HD ARG 14 HD1 ARG 14 4.675 -2.023 -2.023 101 HE ARG 14 HE ARG 14 7.034 -1.160 -1.160 102 1HH1 ARG 14 HH11 ARG 14 4.454 0.509 0.509 103 2HH1 ARG 14 HH12 ARG 14 4.751 2.021 2.021 104 1HH2 ARG 14 HH21 ARG 14 7.407 0.831 0.831 105 2HH2 ARG 14 HH22 ARG 14 6.418 2.201 2.201 106 H GLN 15 HN GLN 15 4.238 -6.154 -6.154 107 HA GLN 15 HA GLN 15 3.705 -7.210 -7.210 108 1HB GLN 15 HB2 GLN 15 2.694 -7.888 -7.888 109 2HB GLN 15 HB1 GLN 15 1.934 -8.537 -8.537 110 1HG GLN 15 HG2 GLN 15 3.524 -10.184 -10.184 111 2HG GLN 15 HG1 GLN 15 4.334 -9.245 -9.245 112 1HE2 GLN 15 HE22 GLN 15 6.970 -8.313 -8.313 113 2HE2 GLN 15 HE21 GLN 15 6.382 -8.478 -8.478 114 H ASN 16 HN ASN 16 2.262 -6.148 -6.148 115 HA ASN 16 HA ASN 16 0.737 -3.932 -3.932 116 1HB ASN 16 HB2 ASN 16 1.478 -4.501 -4.501 117 2HB ASN 16 HB1 ASN 16 0.102 -5.604 -5.604 118 1HD2 ASN 16 HD22 ASN 16 -0.940 -1.682 -1.682 119 2HD2 ASN 16 HD21 ASN 16 0.311 -2.376 -2.376 120 H CYS 17 HN CYS 17 -1.081 -3.965 -3.965 121 HA CYS 17 HA CYS 17 -2.624 -6.465 -6.465 122 1HB CYS 17 HB2 CYS 17 -1.909 -5.273 -5.273 123 2HB CYS 17 HB1 CYS 17 -2.885 -3.890 -3.890 124 H GLY 18 HN GLY 18 -2.730 -3.354 -3.354 125 1HA GLY 18 HA2 GLY 18 -5.019 -3.927 -3.927 126 2HA GLY 18 HA1 GLY 18 -5.530 -2.950 -2.950 127 H PHE 19 HN PHE 19 -5.928 -1.714 -1.714 128 HA PHE 19 HA PHE 19 -3.687 -0.316 -0.316 129 1HB PHE 19 HB2 PHE 19 -5.486 1.291 1.291 130 2HB PHE 19 HB1 PHE 19 -5.622 -0.389 -0.389 131 HD1 PHE 19 HD1 PHE 19 -7.262 -1.911 -1.911 132 HD2 PHE 19 HD2 PHE 19 -7.199 2.338 2.338 133 HE1 PHE 19 HE1 PHE 19 -9.557 -2.018 -2.018 134 HE2 PHE 19 HE2 PHE 19 -9.499 2.227 2.227 135 HZ PHE 19 HZ PHE 19 -10.674 0.051 0.051 136 HA PRO 20 HA PRO 20 -3.138 2.951 2.951 137 1HB PRO 20 HB2 PRO 20 -2.557 5.081 5.081 138 2HB PRO 20 HB1 PRO 20 -1.413 3.845 3.845 139 1HG PRO 20 HG2 PRO 20 -2.455 4.270 4.270 140 2HG PRO 20 HG1 PRO 20 -1.284 3.058 3.058 141 1HD PRO 20 HD2 PRO 20 -4.136 2.736 2.736 142 2HD PRO 20 HD1 PRO 20 -2.883 1.495 1.495 143 H GLY 21 HN GLY 21 -5.386 3.721 3.721 144 1HA GLY 21 HA2 GLY 21 -6.477 6.102 6.102 145 2HA GLY 21 HA1 GLY 21 -7.330 4.981 4.981 146 H VAL 22 HN VAL 22 -6.509 2.984 2.984 147 HA VAL 22 HA VAL 22 -9.108 2.821 2.821 148 HB VAL 22 HB VAL 22 -7.997 1.436 1.436 149 1HG1 VAL 22 HG13 VAL 22 -8.718 0.539 0.539 150 2HG1 VAL 22 HG12 VAL 22 -7.059 0.764 0.764 151 3HG1 VAL 22 HG11 VAL 22 -7.405 -0.365 -0.365 152 1HG2 VAL 22 HG21 VAL 22 -5.543 2.410 2.410 153 2HG2 VAL 22 HG23 VAL 22 -5.869 2.472 2.472 154 3HG2 VAL 22 HG22 VAL 22 -5.531 0.926 0.926 155 H THR 23 HN THR 23 -9.224 2.901 2.901 156 HA THR 23 HA THR 23 -8.018 5.442 5.442 157 HB THR 23 HB THR 23 -10.306 5.950 5.950 158 HG1 THR 23 HG1 THR 23 -11.883 4.663 4.663 159 1HG2 THR 23 HG23 THR 23 -9.673 6.068 6.068 160 2HG2 THR 23 HG22 THR 23 -11.209 6.695 6.695 161 3HG2 THR 23 HG21 THR 23 -9.691 7.375 7.375 162 HA PRO 24 HA PRO 24 -6.926 3.712 3.712 163 1HB PRO 24 HB2 PRO 24 -8.904 5.362 5.362 164 2HB PRO 24 HB1 PRO 24 -7.138 5.388 5.388 165 1HG PRO 24 HG2 PRO 24 -8.871 7.145 7.145 166 2HG PRO 24 HG1 PRO 24 -7.113 7.230 7.230 167 1HD PRO 24 HD2 PRO 24 -8.389 6.667 6.667 168 2HD PRO 24 HD1 PRO 24 -6.718 6.200 6.200 169 H SER 25 HN SER 25 -10.432 4.149 4.149 170 HA SER 25 HA SER 25 -11.239 2.181 2.181 171 1HB SER 25 HB2 SER 25 -12.751 3.982 3.982 172 2HB SER 25 HB1 SER 25 -12.731 3.309 3.309 173 HG SER 25 HG SER 25 -14.537 2.589 2.589 174 H GLN 26 HN GLN 26 -10.881 2.166 2.166 175 HA GLN 26 HA GLN 26 -11.735 -0.493 -0.493 176 1HB GLN 26 HB2 GLN 26 -10.011 1.441 1.441 177 2HB GLN 26 HB1 GLN 26 -10.062 -0.243 -0.243 178 1HG GLN 26 HG2 GLN 26 -12.594 -0.062 -0.062 179 2HG GLN 26 HG1 GLN 26 -12.390 1.675 1.675 180 1HE2 GLN 26 HE22 GLN 26 -12.250 2.016 2.016 181 2HE2 GLN 26 HE21 GLN 26 -12.999 2.477 2.477 182 H CYS 27 HN CYS 27 -8.412 0.820 0.820 183 HA CYS 27 HA CYS 27 -7.132 -1.718 -1.718 184 1HB CYS 27 HB2 CYS 27 -6.112 0.676 0.676 185 2HB CYS 27 HB1 CYS 27 -6.101 0.584 0.584 186 H ALA 28 HN ALA 28 -8.851 0.011 0.011 187 HA ALA 28 HA ALA 28 -7.858 -1.805 -1.805 188 1HB ALA 28 HB1 ALA 28 -8.265 0.578 0.578 189 2HB ALA 28 HB3 ALA 28 -9.968 0.369 0.369 190 3HB ALA 28 HB2 ALA 28 -9.281 -0.483 -0.483 191 H ASN 29 HN ASN 29 -10.216 -1.947 -1.947 192 HA ASN 29 HA ASN 29 -12.360 -3.170 -3.170 193 1HB ASN 29 HB2 ASN 29 -12.275 -2.128 -2.128 194 2HB ASN 29 HB1 ASN 29 -11.850 -3.779 -3.779 195 1HD2 ASN 29 HD22 ASN 29 -15.515 -3.259 -3.259 196 2HD2 ASN 29 HD21 ASN 29 -14.202 -2.312 -2.312 197 H LYS 30 HN LYS 30 -9.704 -4.495 -4.495 198 HA LYS 30 HA LYS 30 -10.392 -7.210 -7.210 199 1HB LYS 30 HB2 LYS 30 -8.283 -7.763 -7.763 200 2HB LYS 30 HB1 LYS 30 -9.584 -7.010 -7.010 201 1HG LYS 30 HG2 LYS 30 -7.928 -4.939 -4.939 202 2HG LYS 30 HG1 LYS 30 -6.899 -6.099 -6.099 203 1HD LYS 30 HD2 LYS 30 -8.516 -5.931 -5.931 204 2HD LYS 30 HD1 LYS 30 -9.244 -4.557 -4.557 205 1HE LYS 30 HE2 LYS 30 -7.563 -3.184 -3.184 206 2HE LYS 30 HE1 LYS 30 -6.335 -4.335 -4.335 207 1HZ LYS 30 HZ1 LYS 30 -6.848 -5.583 -5.583 208 2HZ LYS 30 HZ3 LYS 30 -7.770 -4.253 -4.253 209 3HZ LYS 30 HZ2 LYS 30 -6.102 -4.073 -4.073 210 H GLY 31 HN GLY 31 -7.709 -4.884 -4.884 211 1HA GLY 31 HA2 GLY 31 -6.975 -4.890 -4.890 212 2HA GLY 31 HA1 GLY 31 -6.854 -6.639 -6.639 213 H CYS 32 HN CYS 32 -5.922 -4.351 -4.351 214 HA CYS 32 HA CYS 32 -3.206 -5.469 -5.469 215 1HB CYS 32 HB2 CYS 32 -4.866 -4.023 -4.023 216 2HB CYS 32 HB1 CYS 32 -3.119 -3.795 -3.795 217 H CYS 33 HN CYS 33 -1.344 -4.184 -4.184 218 HA CYS 33 HA CYS 33 -1.689 -1.939 -1.939 219 1HB CYS 33 HB2 CYS 33 0.792 -2.772 -2.772 220 2HB CYS 33 HB1 CYS 33 0.741 -1.735 -1.735 221 H PHE 34 HN PHE 34 -2.384 0.054 0.054 222 HA PHE 34 HA PHE 34 -1.871 0.861 0.861 223 1HB PHE 34 HB2 PHE 34 -4.159 1.097 1.097 224 2HB PHE 34 HB1 PHE 34 -3.484 2.280 2.280 225 HD1 PHE 34 HD1 PHE 34 -4.188 1.565 1.565 226 HD2 PHE 34 HD2 PHE 34 -2.922 4.509 4.509 227 HE1 PHE 34 HE1 PHE 34 -4.436 3.335 3.335 228 HE2 PHE 34 HE2 PHE 34 -3.170 6.281 6.281 229 HZ PHE 34 HZ PHE 34 -3.927 5.694 5.694 230 H ASP 35 HN ASP 35 -0.338 2.400 2.400 231 HA ASP 35 HA ASP 35 0.653 4.169 4.169 232 1HB ASP 35 HB2 ASP 35 2.083 2.046 2.046 233 2HB ASP 35 HB1 ASP 35 2.568 2.642 2.642 234 H ASP 36 HN ASP 36 0.264 6.160 6.160 235 HA ASP 36 HA ASP 36 0.932 6.497 6.497 236 1HB ASP 36 HB2 ASP 36 -0.687 8.397 8.397 237 2HB ASP 36 HB1 ASP 36 -1.445 6.845 6.845 238 H THR 37 HN THR 37 3.205 6.771 6.771 239 HA THR 37 HA THR 37 3.510 9.555 9.555 240 HB THR 37 HB THR 37 5.677 8.747 8.747 241 HG1 THR 37 HG1 THR 37 6.295 6.756 6.756 242 1HG2 THR 37 HG21 THR 37 3.062 7.484 7.484 243 2HG2 THR 37 HG23 THR 37 4.538 7.175 7.175 244 3HG2 THR 37 HG22 THR 37 3.921 8.821 8.821 245 H VAL 38 HN VAL 38 4.820 7.058 7.058 246 HA VAL 38 HA VAL 38 6.337 9.207 9.207 247 HB VAL 38 HB VAL 38 6.760 6.207 6.207 248 1HG1 VAL 38 HG13 VAL 38 8.052 8.603 8.603 249 2HG1 VAL 38 HG12 VAL 38 9.064 7.221 7.221 250 3HG1 VAL 38 HG11 VAL 38 7.714 7.021 7.021 251 1HG2 VAL 38 HG21 VAL 38 8.105 8.380 8.380 252 2HG2 VAL 38 HG23 VAL 38 7.342 6.904 6.904 253 3HG2 VAL 38 HG22 VAL 38 8.858 6.813 6.813 254 H ARG 39 HN ARG 39 6.500 8.814 8.814 255 HA ARG 39 HA ARG 39 3.859 7.876 7.876 256 1HB ARG 39 HB2 ARG 39 4.860 10.384 10.384 257 2HB ARG 39 HB1 ARG 39 5.516 9.658 9.658 258 1HG ARG 39 HG2 ARG 39 3.094 8.742 8.742 259 2HG ARG 39 HG1 ARG 39 2.638 10.005 10.005 260 1HD ARG 39 HD2 ARG 39 4.450 10.810 10.810 261 2HD ARG 39 HD1 ARG 39 2.781 10.447 10.447 262 HE ARG 39 HE ARG 39 2.625 12.103 12.103 263 1HH1 ARG 39 HH21 ARG 39 3.988 12.238 12.238 264 2HH1 ARG 39 HH22 ARG 39 3.798 13.953 13.953 265 1HH2 ARG 39 HH11 ARG 39 2.387 14.350 14.350 266 2HH2 ARG 39 HH12 ARG 39 2.896 15.142 15.142 267 H GLY 40 HN GLY 40 4.089 7.294 7.294 268 1HA GLY 40 HA2 GLY 40 5.162 6.057 6.057 269 2HA GLY 40 HA1 GLY 40 6.641 6.102 6.102 270 H VAL 41 HN VAL 41 5.496 5.069 5.069 271 HA VAL 41 HA VAL 41 5.323 2.237 2.237 272 HB VAL 41 HB VAL 41 5.676 1.852 1.852 273 1HG1 VAL 41 HG12 VAL 41 7.514 2.431 2.431 274 2HG1 VAL 41 HG11 VAL 41 7.774 3.823 3.823 275 3HG1 VAL 41 HG13 VAL 41 7.954 2.189 2.189 276 1HG2 VAL 41 HG23 VAL 41 4.578 4.003 4.003 277 2HG2 VAL 41 HG22 VAL 41 6.152 3.738 3.738 278 3HG2 VAL 41 HG21 VAL 41 5.996 4.866 4.866 279 HA PRO 42 HA PRO 42 1.038 1.933 1.933 280 1HB PRO 42 HB2 PRO 42 1.044 -0.640 -0.640 281 2HB PRO 42 HB1 PRO 42 0.955 -0.245 -0.245 282 1HG PRO 42 HG2 PRO 42 3.082 -1.525 -1.525 283 2HG PRO 42 HG1 PRO 42 3.004 -1.095 -1.095 284 1HD PRO 42 HD2 PRO 42 4.384 0.291 0.291 285 2HD PRO 42 HD1 PRO 42 4.666 0.395 0.395 286 H TRP 43 HN TRP 43 -0.291 2.423 2.423 287 HA TRP 43 HA TRP 43 1.056 2.673 2.673 288 1HB TRP 43 HB2 TRP 43 -1.751 3.482 3.482 289 2HB TRP 43 HB1 TRP 43 -0.894 3.978 3.978 290 HD1 TRP 43 HD1 TRP 43 1.922 4.658 4.658 291 HE1 TRP 43 HE1 TRP 43 2.188 6.737 6.737 292 HE3 TRP 43 HE3 TRP 43 -2.936 5.358 5.358 293 HZ2 TRP 43 HZ2 TRP 43 0.558 8.466 8.466 294 HZ3 TRP 43 HZ3 TRP 43 -3.550 7.226 7.226 295 HH2 TRP 43 HH2 TRP 43 -1.812 8.781 8.781 296 H CYS 44 HN CYS 44 -1.752 0.946 0.946 297 HA CYS 44 HA CYS 44 -2.247 -0.384 -0.384 298 1HB CYS 44 HB2 CYS 44 -4.087 0.380 0.380 299 2HB CYS 44 HB1 CYS 44 -3.583 -0.922 -0.922 300 H PHE 45 HN PHE 45 -0.763 -1.992 -1.992 301 HA PHE 45 HA PHE 45 -0.362 -4.049 -4.049 302 1HB PHE 45 HB2 PHE 45 2.009 -4.223 -4.223 303 2HB PHE 45 HB1 PHE 45 1.642 -2.573 -2.573 304 HD1 PHE 45 HD1 PHE 45 0.966 -0.936 -0.936 305 HD2 PHE 45 HD2 PHE 45 3.191 -4.572 -4.572 306 HE1 PHE 45 HE1 PHE 45 1.853 -0.103 -0.103 307 HE2 PHE 45 HE2 PHE 45 4.078 -3.745 -3.745 308 HZ PHE 45 HZ PHE 45 3.410 -1.509 -1.509 309 H TYR 46 HN TYR 46 0.720 -6.086 -6.086 310 HA TYR 46 HA TYR 46 -1.010 -6.760 -6.760 311 1HB TYR 46 HB2 TYR 46 1.109 -8.333 -8.333 312 2HB TYR 46 HB1 TYR 46 0.085 -9.003 -9.003 313 HD1 TYR 46 HD2 TYR 46 -2.454 -8.891 -8.891 314 HD2 TYR 46 HD1 TYR 46 0.323 -8.162 -8.162 315 HE1 TYR 46 HE2 TYR 46 -4.257 -9.284 -9.284 316 HE2 TYR 46 HE1 TYR 46 -1.480 -8.555 -8.555 317 HH TYR 46 HH TYR 46 -4.786 -9.396 -9.396 318 HA PRO 47 HA PRO 47 2.095 -6.328 -6.328 319 1HB PRO 47 HB2 PRO 47 1.143 -8.262 -8.262 320 2HB PRO 47 HB1 PRO 47 0.468 -6.638 -6.638 321 1HG PRO 47 HG2 PRO 47 -0.749 -9.128 -9.128 322 2HG PRO 47 HG1 PRO 47 -1.405 -7.499 -7.499 323 1HD PRO 47 HD2 PRO 47 -0.113 -9.274 -9.274 324 2HD PRO 47 HD1 PRO 47 -1.234 -7.921 -7.921 325 H ASN 48 HN ASN 48 3.855 -7.466 -7.466 326 HA ASN 48 HA ASN 48 4.501 -10.147 -10.147 327 1HB ASN 48 HB2 ASN 48 6.053 -7.619 -7.619 328 2HB ASN 48 HB1 ASN 48 6.968 -9.078 -9.078 329 1HD2 ASN 48 HD22 ASN 48 6.985 -9.682 -9.682 330 2HD2 ASN 48 HD21 ASN 48 7.914 -9.289 -9.289 331 H THR 49 HN THR 49 4.205 -11.234 -11.234 332 HA THR 49 HA THR 49 5.160 -10.113 -10.113 333 HB THR 49 HB THR 49 4.518 -12.358 -12.358 334 HG1 THR 49 HG1 THR 49 4.541 -12.888 -12.888 335 1HG2 THR 49 HG21 THR 49 2.870 -10.521 -10.521 336 2HG2 THR 49 HG23 THR 49 2.462 -11.074 -11.074 337 3HG2 THR 49 HG22 THR 49 2.115 -12.098 -12.098 338 H ILE 50 HN ILE 50 7.311 -10.080 -10.080 339 HA ILE 50 HA ILE 50 9.060 -12.126 -12.126 340 HB ILE 50 HB ILE 50 9.802 -9.629 -9.629 341 1HG1 ILE 50 HG12 ILE 50 9.855 -10.052 -10.052 342 2HG1 ILE 50 HG11 ILE 50 8.524 -9.249 -9.249 343 1HG2 ILE 50 HG23 ILE 50 11.511 -11.452 -11.452 344 2HG2 ILE 50 HG22 ILE 50 11.431 -11.392 -11.392 345 3HG2 ILE 50 HG21 ILE 50 12.018 -9.996 -9.996 346 1HD1 ILE 50 HD12 ILE 50 10.236 -7.669 -7.669 347 2HD1 ILE 50 HD11 ILE 50 11.421 -8.376 -8.376 348 3HD1 ILE 50 HD13 ILE 50 10.019 -7.520 -7.520 349 H ASP 51 HN ASP 51 10.320 -13.528 -13.528 350 HA ASP 51 HA ASP 51 9.254 -14.015 -14.015 351 1HB ASP 51 HB2 ASP 51 10.898 -15.902 -15.902 352 2HB ASP 51 HB1 ASP 51 9.817 -15.923 -15.923 353 H VAL 52 HN VAL 52 10.142 -13.290 -13.290 354 HA VAL 52 HA VAL 52 12.905 -12.216 -12.216 355 HB VAL 52 HB VAL 52 12.164 -10.485 -10.485 356 1HG1 VAL 52 HG11 VAL 52 12.248 -10.028 -10.028 357 2HG1 VAL 52 HG13 VAL 52 10.562 -10.529 -10.529 358 3HG1 VAL 52 HG12 VAL 52 10.987 -9.097 -9.097 359 1HG2 VAL 52 HG21 VAL 52 9.599 -11.979 -11.979 360 2HG2 VAL 52 HG23 VAL 52 10.251 -11.192 -11.192 361 3HG2 VAL 52 HG22 VAL 52 9.501 -10.227 -10.227 362 HA PRO 53 HA PRO 53 12.775 -15.976 -15.976 363 1HB PRO 53 HB2 PRO 53 15.632 -15.296 -15.296 364 2HB PRO 53 HB1 PRO 53 14.847 -16.810 -16.810 365 1HG PRO 53 HG2 PRO 53 15.884 -14.742 -14.742 366 2HG PRO 53 HG1 PRO 53 15.159 -16.288 -16.288 367 1HD PRO 53 HD2 PRO 53 14.022 -13.812 -13.812 368 2HD PRO 53 HD1 PRO 53 13.121 -15.340 -15.340 369 HA PRO 54 HA PRO 54 14.579 -13.098 -13.098 370 1HB PRO 54 HB2 PRO 54 15.805 -10.750 -10.750 371 2HB PRO 54 HB1 PRO 54 16.639 -12.292 -12.292 372 1HG PRO 54 HG2 PRO 54 16.236 -10.888 -10.888 373 2HG PRO 54 HG1 PRO 54 17.044 -12.444 -12.444 374 1HD PRO 54 HD2 PRO 54 14.280 -11.893 -11.893 375 2HD PRO 54 HD1 PRO 54 15.296 -13.324 -13.324 376 H GLU 55 HN GLU 55 12.878 -12.145 -12.145 377 HA GLU 55 HA GLU 55 11.064 -10.362 -10.362 378 1HB GLU 55 HB2 GLU 55 10.625 -12.135 -12.135 379 2HB GLU 55 HB1 GLU 55 10.958 -10.735 -10.735 380 1HG GLU 55 HG2 GLU 55 9.138 -9.521 -9.521 381 2HG GLU 55 HG1 GLU 55 9.046 -10.501 -10.501 382 H GLU 56 HN GLU 56 10.869 -8.120 -8.120 383 HA GLU 56 HA GLU 56 13.115 -6.874 -6.874 384 1HB GLU 56 HB2 GLU 56 12.502 -4.841 -4.841 385 2HB GLU 56 HB1 GLU 56 12.955 -6.213 -6.213 386 1HG GLU 56 HG2 GLU 56 10.647 -6.724 -6.724 387 2HG GLU 56 HG1 GLU 56 10.089 -5.551 -5.551 388 H GLU 57 HN GLU 57 12.403 -4.576 -4.576 389 HA GLU 57 HA GLU 57 9.928 -5.050 -5.050 390 1HB GLU 57 HB2 GLU 57 12.453 -3.490 -3.490 391 2HB GLU 57 HB1 GLU 57 10.982 -3.304 -3.304 392 1HG GLU 57 HG2 GLU 57 11.081 -5.489 -5.489 393 2HG GLU 57 HG1 GLU 57 12.077 -6.055 -6.055 394 H SER 58 HN SER 58 8.325 -3.439 -3.439 395 HA SER 58 HA SER 58 8.867 -0.990 -0.990 396 1HB SER 58 HB2 SER 58 6.351 -1.341 -1.341 397 2HB SER 58 HB1 SER 58 7.644 -2.156 -2.156 398 HG SER 58 HG SER 58 7.261 -3.992 -3.992 399 H GLU 59 HN GLU 59 6.739 0.507 0.507 400 HA GLU 59 HA GLU 59 6.610 0.981 0.981 401 1HB GLU 59 HB2 GLU 59 6.607 2.785 2.785 402 2HB GLU 59 HB1 GLU 59 4.970 2.280 2.280 403 1HG GLU 59 HG2 GLU 59 4.200 2.760 2.760 404 2HG GLU 59 HG1 GLU 59 5.842 3.167 3.167 405 H PHE 60 HN PHE 60 4.920 0.480 0.480 406 HA PHE 60 HA PHE 60 2.630 -0.978 -0.978 407 1HB PHE 60 HB2 PHE 60 4.306 -2.257 -2.257 408 2HB PHE 60 HB1 PHE 60 3.603 -1.340 -1.340 409 HD1 PHE 60 HD2 PHE 60 2.970 -3.888 -3.888 410 HD2 PHE 60 HD1 PHE 60 1.297 -1.696 -1.696 411 HE1 PHE 60 HE2 PHE 60 1.051 -5.459 -5.459 412 HE2 PHE 60 HE1 PHE 60 -0.620 -3.268 -3.268 413 HZ PHE 60 HZ PHE 60 -0.742 -5.149 -5.149 Start of MODEL 2 1 1H GLU 1 HT2 GLU 1 9.702 -10.444 -10.444 2 2H GLU 1 HT1 GLU 1 9.920 -9.686 -9.686 3 3H GLU 1 HT3 GLU 1 9.589 -11.346 -11.346 4 HA GLU 1 HA GLU 1 7.411 -11.027 -11.027 5 1HB GLU 1 HB2 GLU 1 8.331 -9.057 -9.057 6 2HB GLU 1 HB1 GLU 1 6.624 -9.247 -9.247 7 1HG GLU 1 HG2 GLU 1 6.586 -11.500 -11.500 8 2HG GLU 1 HG1 GLU 1 8.344 -11.632 -11.632 9 H ALA 2 HN ALA 2 7.635 -10.236 -10.236 10 HA ALA 2 HA ALA 2 6.472 -7.586 -7.586 11 1HB ALA 2 HB2 ALA 2 9.220 -8.211 -8.211 12 2HB ALA 2 HB1 ALA 2 8.250 -6.822 -6.822 13 3HB ALA 2 HB3 ALA 2 8.819 -6.962 -6.962 14 H GLN 3 HN GLN 3 5.703 -10.365 -10.365 15 HA GLN 3 HA GLN 3 5.928 -10.598 -10.598 16 1HB GLN 3 HB2 GLN 3 4.686 -12.250 -12.250 17 2HB GLN 3 HB1 GLN 3 4.305 -12.571 -12.571 18 1HG GLN 3 HG2 GLN 3 6.154 -13.961 -13.961 19 2HG GLN 3 HG1 GLN 3 6.907 -12.511 -12.511 20 1HE2 GLN 3 HE22 GLN 3 8.863 -12.004 -12.004 21 2HE2 GLN 3 HE21 GLN 3 8.630 -11.726 -11.726 22 H THR 4 HN THR 4 4.722 -9.018 -9.018 23 HA THR 4 HA THR 4 1.816 -9.117 -9.117 24 HB THR 4 HB THR 4 1.796 -6.563 -6.563 25 HG1 THR 4 HG1 THR 4 4.082 -6.129 -6.129 26 1HG2 THR 4 HG22 THR 4 1.353 -7.866 -7.866 27 2HG2 THR 4 HG21 THR 4 3.082 -7.886 -7.886 28 3HG2 THR 4 HG23 THR 4 2.199 -6.359 -6.359 29 H GLU 5 HN GLU 5 1.053 -7.091 -7.091 30 HA GLU 5 HA GLU 5 1.893 -8.218 -8.218 31 1HB GLU 5 HB2 GLU 5 -0.294 -6.409 -6.409 32 2HB GLU 5 HB1 GLU 5 0.171 -6.340 -6.340 33 1HG GLU 5 HG2 GLU 5 -0.311 -9.008 -9.008 34 2HG GLU 5 HG1 GLU 5 -1.685 -8.038 -8.038 35 H THR 6 HN THR 6 3.189 -7.164 -7.164 36 HA THR 6 HA THR 6 4.026 -4.400 -4.400 37 HB THR 6 HB THR 6 5.929 -6.277 -6.277 38 HG1 THR 6 HG1 THR 6 6.221 -7.410 -7.410 39 1HG2 THR 6 HG23 THR 6 6.423 -3.857 -3.857 40 2HG2 THR 6 HG22 THR 6 6.275 -4.069 -4.069 41 3HG2 THR 6 HG21 THR 6 7.566 -4.886 -4.886 42 H CYS 7 HN CYS 7 4.372 -3.019 -3.019 43 HA CYS 7 HA CYS 7 3.617 -4.189 -4.189 44 1HB CYS 7 HB2 CYS 7 2.863 -1.447 -1.447 45 2HB CYS 7 HB1 CYS 7 2.416 -2.116 -2.116 46 H THR 8 HN THR 8 6.293 -3.710 -3.710 47 HA THR 8 HA THR 8 7.277 -1.403 -1.403 48 HB THR 8 HB THR 8 8.090 -1.608 -1.608 49 HG1 THR 8 HG1 THR 8 10.054 -2.371 -2.371 50 1HG2 THR 8 HG22 THR 8 7.802 -4.227 -4.227 51 2HG2 THR 8 HG21 THR 8 9.492 -4.171 -4.171 52 3HG2 THR 8 HG23 THR 8 9.020 -3.538 -3.538 53 H VAL 9 HN VAL 9 7.948 -1.772 -1.772 54 HA VAL 9 HA VAL 9 9.514 -4.182 -4.182 55 HB VAL 9 HB VAL 9 7.049 -3.485 -3.485 56 1HG1 VAL 9 HG12 VAL 9 9.129 -5.677 -5.677 57 2HG1 VAL 9 HG11 VAL 9 7.567 -5.797 -5.797 58 3HG1 VAL 9 HG13 VAL 9 8.694 -4.517 -4.517 59 1HG2 VAL 9 HG23 VAL 9 7.558 -5.675 -5.675 60 2HG2 VAL 9 HG22 VAL 9 6.344 -4.400 -4.400 61 3HG2 VAL 9 HG21 VAL 9 6.193 -5.671 -5.671 62 H ALA 10 HN ALA 10 10.717 -3.972 -3.972 63 HA ALA 10 HA ALA 10 11.507 -1.252 -1.252 64 1HB ALA 10 HB2 ALA 10 12.229 -3.905 -3.905 65 2HB ALA 10 HB1 ALA 10 12.881 -2.380 -2.380 66 3HB ALA 10 HB3 ALA 10 13.219 -2.894 -2.894 67 HA PRO 11 HA PRO 11 8.541 0.277 0.277 68 1HB PRO 11 HB2 PRO 11 10.810 0.920 0.920 69 2HB PRO 11 HB1 PRO 11 9.626 2.001 2.001 70 1HG PRO 11 HG2 PRO 11 12.303 1.443 1.443 71 2HG PRO 11 HG1 PRO 11 11.129 2.551 2.551 72 1HD PRO 11 HD2 PRO 11 12.053 0.227 0.227 73 2HD PRO 11 HD1 PRO 11 10.539 1.049 1.049 74 H ARG 12 HN ARG 12 11.306 -1.653 -1.653 75 HA ARG 12 HA ARG 12 9.827 -2.464 -2.464 76 1HB ARG 12 HB2 ARG 12 12.527 -3.084 -3.084 77 2HB ARG 12 HB1 ARG 12 11.875 -4.095 -4.095 78 1HG ARG 12 HG2 ARG 12 11.628 -2.162 -2.162 79 2HG ARG 12 HG1 ARG 12 12.123 -1.077 -1.077 80 1HD ARG 12 HD2 ARG 12 14.347 -1.721 -1.721 81 2HD ARG 12 HD1 ARG 12 13.959 -3.316 -3.316 82 HE ARG 12 HE ARG 12 13.276 -1.159 -1.159 83 1HH1 ARG 12 HH11 ARG 12 15.793 -3.287 -3.287 84 2HH1 ARG 12 HH12 ARG 12 16.717 -3.191 -3.191 85 1HH2 ARG 12 HH21 ARG 12 14.503 -1.046 -1.046 86 2HH2 ARG 12 HH22 ARG 12 15.988 -1.927 -1.927 87 H GLU 13 HN GLU 13 10.887 -4.012 -4.012 88 HA GLU 13 HA GLU 13 9.641 -6.528 -6.528 89 1HB GLU 13 HB2 GLU 13 10.493 -5.454 -5.454 90 2HB GLU 13 HB1 GLU 13 10.181 -7.141 -7.141 91 1HG GLU 13 HG2 GLU 13 11.995 -6.812 -6.812 92 2HG GLU 13 HG1 GLU 13 12.453 -5.380 -5.380 93 H ARG 14 HN ARG 14 8.139 -3.697 -3.697 94 HA ARG 14 HA ARG 14 6.165 -4.385 -4.385 95 1HB ARG 14 HB2 ARG 14 6.505 -2.130 -2.130 96 2HB ARG 14 HB1 ARG 14 5.002 -2.328 -2.328 97 1HG ARG 14 HG2 ARG 14 6.699 -2.561 -2.561 98 2HG ARG 14 HG1 ARG 14 7.725 -1.596 -1.596 99 1HD ARG 14 HD2 ARG 14 6.166 0.186 0.186 100 2HD ARG 14 HD1 ARG 14 4.860 -0.821 -0.821 101 HE ARG 14 HE ARG 14 6.709 -0.851 -0.851 102 1HH1 ARG 14 HH11 ARG 14 5.136 1.652 1.652 103 2HH1 ARG 14 HH12 ARG 14 5.179 2.810 2.810 104 1HH2 ARG 14 HH21 ARG 14 6.753 0.677 0.677 105 2HH2 ARG 14 HH22 ARG 14 6.091 2.259 2.259 106 H GLN 15 HN GLN 15 4.413 -5.680 -5.680 107 HA GLN 15 HA GLN 15 3.807 -6.402 -6.402 108 1HB GLN 15 HB2 GLN 15 2.560 -7.478 -7.478 109 2HB GLN 15 HB1 GLN 15 2.486 -8.195 -8.195 110 1HG GLN 15 HG2 GLN 15 5.020 -7.805 -7.805 111 2HG GLN 15 HG1 GLN 15 4.164 -9.333 -9.333 112 1HE2 GLN 15 HE22 GLN 15 4.977 -9.327 -9.327 113 2HE2 GLN 15 HE21 GLN 15 3.556 -9.389 -9.389 114 H ASN 16 HN ASN 16 2.121 -5.476 -5.476 115 HA ASN 16 HA ASN 16 0.538 -3.451 -3.451 116 1HB ASN 16 HB2 ASN 16 1.261 -3.928 -3.928 117 2HB ASN 16 HB1 ASN 16 -0.377 -4.578 -4.578 118 1HD2 ASN 16 HD22 ASN 16 -0.570 -0.909 -0.909 119 2HD2 ASN 16 HD21 ASN 16 0.186 -2.237 -2.237 120 H CYS 17 HN CYS 17 -1.168 -3.878 -3.878 121 HA CYS 17 HA CYS 17 -2.511 -6.464 -6.464 122 1HB CYS 17 HB2 CYS 17 -1.942 -4.882 -4.882 123 2HB CYS 17 HB1 CYS 17 -3.509 -4.190 -4.190 124 H GLY 18 HN GLY 18 -2.792 -3.529 -3.529 125 1HA GLY 18 HA2 GLY 18 -5.075 -4.214 -4.214 126 2HA GLY 18 HA1 GLY 18 -5.604 -3.165 -3.165 127 H PHE 19 HN PHE 19 -5.904 -2.151 -2.151 128 HA PHE 19 HA PHE 19 -3.644 -0.749 -0.749 129 1HB PHE 19 HB2 PHE 19 -5.425 0.751 0.751 130 2HB PHE 19 HB1 PHE 19 -5.464 -0.960 -0.960 131 HD1 PHE 19 HD1 PHE 19 -7.122 -2.474 -2.474 132 HD2 PHE 19 HD2 PHE 19 -7.274 1.809 1.809 133 HE1 PHE 19 HE1 PHE 19 -9.476 -2.614 -2.614 134 HE2 PHE 19 HE2 PHE 19 -9.630 1.666 1.666 135 HZ PHE 19 HZ PHE 19 -10.728 -0.544 -0.544 136 HA PRO 20 HA PRO 20 -3.350 2.721 2.721 137 1HB PRO 20 HB2 PRO 20 -2.729 4.754 4.754 138 2HB PRO 20 HB1 PRO 20 -1.586 3.591 3.591 139 1HG PRO 20 HG2 PRO 20 -2.481 3.810 3.810 140 2HG PRO 20 HG1 PRO 20 -1.318 2.666 2.666 141 1HD PRO 20 HD2 PRO 20 -4.127 2.237 2.237 142 2HD PRO 20 HD1 PRO 20 -2.860 1.043 1.043 143 H GLY 21 HN GLY 21 -5.481 3.229 3.229 144 1HA GLY 21 HA2 GLY 21 -6.686 5.646 5.646 145 2HA GLY 21 HA1 GLY 21 -7.443 4.441 4.441 146 H VAL 22 HN VAL 22 -6.686 2.630 2.630 147 HA VAL 22 HA VAL 22 -9.338 2.417 2.417 148 HB VAL 22 HB VAL 22 -8.319 1.163 1.163 149 1HG1 VAL 22 HG11 VAL 22 -7.149 0.542 0.542 150 2HG1 VAL 22 HG13 VAL 22 -7.288 -0.598 -0.598 151 3HG1 VAL 22 HG12 VAL 22 -8.740 0.044 0.044 152 1HG2 VAL 22 HG23 VAL 22 -5.891 2.524 2.524 153 2HG2 VAL 22 HG22 VAL 22 -6.292 2.077 2.077 154 3HG2 VAL 22 HG21 VAL 22 -5.692 0.855 0.855 155 H THR 23 HN THR 23 -9.546 2.622 2.622 156 HA THR 23 HA THR 23 -8.590 5.312 5.312 157 HB THR 23 HB THR 23 -10.941 5.651 5.651 158 HG1 THR 23 HG1 THR 23 -12.514 4.364 4.364 159 1HG2 THR 23 HG23 THR 23 -10.234 5.690 5.690 160 2HG2 THR 23 HG22 THR 23 -11.852 6.166 6.166 161 3HG2 THR 23 HG21 THR 23 -10.444 7.043 7.043 162 HA PRO 24 HA PRO 24 -7.449 3.903 3.903 163 1HB PRO 24 HB2 PRO 24 -9.559 5.447 5.447 164 2HB PRO 24 HB1 PRO 24 -7.805 5.659 5.659 165 1HG PRO 24 HG2 PRO 24 -9.739 7.116 7.116 166 2HG PRO 24 HG1 PRO 24 -8.011 7.434 7.434 167 1HD PRO 24 HD2 PRO 24 -9.142 6.596 6.596 168 2HD PRO 24 HD1 PRO 24 -7.443 6.331 6.331 169 H SER 25 HN SER 25 -10.999 4.135 4.135 170 HA SER 25 HA SER 25 -11.674 2.170 2.170 171 1HB SER 25 HB2 SER 25 -13.885 2.187 2.187 172 2HB SER 25 HB1 SER 25 -13.297 3.823 3.823 173 HG SER 25 HG SER 25 -13.739 3.970 3.970 174 H GLN 26 HN GLN 26 -11.174 2.021 2.021 175 HA GLN 26 HA GLN 26 -11.889 -0.718 -0.718 176 1HB GLN 26 HB2 GLN 26 -10.104 1.077 1.077 177 2HB GLN 26 HB1 GLN 26 -10.555 -0.562 -0.562 178 1HG GLN 26 HG2 GLN 26 -12.719 1.355 1.355 179 2HG GLN 26 HG1 GLN 26 -11.997 1.500 1.500 180 1HE2 GLN 26 HE22 GLN 26 -13.902 -1.165 -1.165 181 2HE2 GLN 26 HE21 GLN 26 -13.069 0.283 0.283 182 H CYS 27 HN CYS 27 -8.634 0.837 0.837 183 HA CYS 27 HA CYS 27 -7.188 -1.594 -1.594 184 1HB CYS 27 HB2 CYS 27 -6.269 0.740 0.740 185 2HB CYS 27 HB1 CYS 27 -6.361 0.996 0.996 186 H ALA 28 HN ALA 28 -9.111 0.007 0.007 187 HA ALA 28 HA ALA 28 -7.829 -1.561 -1.561 188 1HB ALA 28 HB2 ALA 28 -9.840 0.699 0.699 189 2HB ALA 28 HB1 ALA 28 -9.341 -0.178 -0.178 190 3HB ALA 28 HB3 ALA 28 -8.159 0.759 0.759 191 H ASN 29 HN ASN 29 -10.318 -1.915 -1.915 192 HA ASN 29 HA ASN 29 -12.345 -3.039 -3.039 193 1HB ASN 29 HB2 ASN 29 -12.759 -2.099 -2.099 194 2HB ASN 29 HB1 ASN 29 -11.917 -3.498 -3.498 195 1HD2 ASN 29 HD22 ASN 29 -15.479 -4.220 -4.220 196 2HD2 ASN 29 HD21 ASN 29 -14.474 -2.972 -2.972 197 H LYS 30 HN LYS 30 -9.749 -4.431 -4.431 198 HA LYS 30 HA LYS 30 -10.442 -7.129 -7.129 199 1HB LYS 30 HB2 LYS 30 -9.495 -6.353 -6.353 200 2HB LYS 30 HB1 LYS 30 -7.937 -6.438 -6.438 201 1HG LYS 30 HG2 LYS 30 -7.972 -8.713 -8.713 202 2HG LYS 30 HG1 LYS 30 -9.701 -8.769 -8.769 203 1HD LYS 30 HD2 LYS 30 -10.173 -8.272 -8.272 204 2HD LYS 30 HD1 LYS 30 -8.440 -8.278 -8.278 205 1HE LYS 30 HE2 LYS 30 -9.544 -10.659 -10.659 206 2HE LYS 30 HE1 LYS 30 -9.965 -10.474 -10.474 207 1HZ LYS 30 HZ1 LYS 30 -7.240 -10.419 -10.419 208 2HZ LYS 30 HZ3 LYS 30 -7.942 -11.718 -11.718 209 3HZ LYS 30 HZ2 LYS 30 -7.647 -10.254 -10.254 210 H GLY 31 HN GLY 31 -7.811 -4.752 -4.752 211 1HA GLY 31 HA2 GLY 31 -6.989 -4.761 -4.761 212 2HA GLY 31 HA1 GLY 31 -6.769 -6.497 -6.497 213 H CYS 32 HN CYS 32 -6.153 -4.466 -4.466 214 HA CYS 32 HA CYS 32 -3.378 -5.286 -5.286 215 1HB CYS 32 HB2 CYS 32 -4.828 -3.306 -3.306 216 2HB CYS 32 HB1 CYS 32 -3.272 -4.063 -4.063 217 H CYS 33 HN CYS 33 -1.572 -4.002 -4.002 218 HA CYS 33 HA CYS 33 -1.945 -1.810 -1.810 219 1HB CYS 33 HB2 CYS 33 0.525 -2.649 -2.649 220 2HB CYS 33 HB1 CYS 33 0.502 -1.550 -1.550 221 H PHE 34 HN PHE 34 -2.428 0.287 0.287 222 HA PHE 34 HA PHE 34 -2.098 1.138 1.138 223 1HB PHE 34 HB2 PHE 34 -4.295 1.477 1.477 224 2HB PHE 34 HB1 PHE 34 -3.497 2.525 2.525 225 HD1 PHE 34 HD2 PHE 34 -2.545 4.696 4.696 226 HD2 PHE 34 HD1 PHE 34 -4.699 2.210 2.210 227 HE1 PHE 34 HE2 PHE 34 -2.756 6.611 6.611 228 HE2 PHE 34 HE1 PHE 34 -4.910 4.126 4.126 229 HZ PHE 34 HZ PHE 34 -3.937 6.328 6.328 230 H ASP 35 HN ASP 35 -0.865 3.026 3.026 231 HA ASP 35 HA ASP 35 0.479 4.537 4.537 232 1HB ASP 35 HB2 ASP 35 1.831 2.407 2.407 233 2HB ASP 35 HB1 ASP 35 2.182 2.843 2.843 234 H ASP 36 HN ASP 36 0.979 6.568 6.568 235 HA ASP 36 HA ASP 36 1.116 6.864 6.864 236 1HB ASP 36 HB2 ASP 36 -0.187 8.987 8.987 237 2HB ASP 36 HB1 ASP 36 -1.127 7.549 7.549 238 H THR 37 HN THR 37 3.311 6.709 6.709 239 HA THR 37 HA THR 37 4.182 9.353 9.353 240 HB THR 37 HB THR 37 6.328 8.268 8.268 241 HG1 THR 37 HG1 THR 37 6.656 6.150 6.150 242 1HG2 THR 37 HG22 THR 37 3.836 6.760 6.760 243 2HG2 THR 37 HG21 THR 37 5.423 6.382 6.382 244 3HG2 THR 37 HG23 THR 37 4.714 7.976 7.976 245 H VAL 38 HN VAL 38 5.391 7.045 7.045 246 HA VAL 38 HA VAL 38 6.361 9.408 9.408 247 HB VAL 38 HB VAL 38 7.221 6.512 6.512 248 1HG1 VAL 38 HG11 VAL 38 7.454 8.171 8.171 249 2HG1 VAL 38 HG13 VAL 38 8.668 8.974 8.974 250 3HG1 VAL 38 HG12 VAL 38 8.901 7.296 7.296 251 1HG2 VAL 38 HG23 VAL 38 8.531 8.857 8.857 252 2HG2 VAL 38 HG22 VAL 38 7.856 7.423 7.423 253 3HG2 VAL 38 HG21 VAL 38 9.282 7.281 7.281 254 H ARG 39 HN ARG 39 5.615 9.735 9.735 255 HA ARG 39 HA ARG 39 3.314 8.146 8.146 256 1HB ARG 39 HB2 ARG 39 3.239 9.779 9.779 257 2HB ARG 39 HB1 ARG 39 3.205 10.554 10.554 258 1HG ARG 39 HG2 ARG 39 5.521 11.151 11.151 259 2HG ARG 39 HG1 ARG 39 5.766 10.124 10.124 260 1HD ARG 39 HD2 ARG 39 5.093 11.758 11.758 261 2HD ARG 39 HD1 ARG 39 3.628 12.046 12.046 262 HE ARG 39 HE ARG 39 4.773 13.721 13.721 263 1HH1 ARG 39 HH21 ARG 39 6.851 12.019 12.019 264 2HH1 ARG 39 HH22 ARG 39 8.138 13.172 13.172 265 1HH2 ARG 39 HH11 ARG 39 6.472 15.219 15.219 266 2HH2 ARG 39 HH12 ARG 39 7.923 14.975 14.975 267 H GLY 40 HN GLY 40 3.320 7.699 7.699 268 1HA GLY 40 HA2 GLY 40 4.350 6.661 6.661 269 2HA GLY 40 HA1 GLY 40 5.908 6.861 6.861 270 H VAL 41 HN VAL 41 5.451 5.589 5.589 271 HA VAL 41 HA VAL 41 5.465 2.801 2.801 272 HB VAL 41 HB VAL 41 6.038 2.386 2.386 273 1HG1 VAL 41 HG13 VAL 41 7.584 4.328 4.328 274 2HG1 VAL 41 HG12 VAL 41 8.196 3.857 3.857 275 3HG1 VAL 41 HG11 VAL 41 7.933 2.633 2.633 276 1HG2 VAL 41 HG23 VAL 41 4.737 4.593 4.593 277 2HG2 VAL 41 HG22 VAL 41 6.152 4.114 4.114 278 3HG2 VAL 41 HG21 VAL 41 6.295 5.362 5.362 279 HA PRO 42 HA PRO 42 1.327 1.651 1.651 280 1HB PRO 42 HB2 PRO 42 1.795 -0.653 -0.653 281 2HB PRO 42 HB1 PRO 42 1.659 -0.581 -0.581 282 1HG PRO 42 HG2 PRO 42 4.066 -0.787 -0.787 283 2HG PRO 42 HG1 PRO 42 3.786 -1.373 -1.373 284 1HD PRO 42 HD2 PRO 42 5.297 0.830 0.830 285 2HD PRO 42 HD1 PRO 42 4.426 0.610 0.610 286 H TRP 43 HN TRP 43 -0.030 2.453 2.453 287 HA TRP 43 HA TRP 43 1.099 3.113 3.113 288 1HB TRP 43 HB2 TRP 43 -1.553 3.688 3.688 289 2HB TRP 43 HB1 TRP 43 -1.213 4.140 4.140 290 HD1 TRP 43 HD1 TRP 43 1.846 4.449 4.449 291 HE1 TRP 43 HE1 TRP 43 2.285 6.920 6.920 292 HE3 TRP 43 HE3 TRP 43 -2.601 6.505 6.505 293 HZ2 TRP 43 HZ2 TRP 43 0.934 9.433 9.433 294 HZ3 TRP 43 HZ3 TRP 43 -2.996 8.939 8.939 295 HH2 TRP 43 HH2 TRP 43 -1.236 10.404 10.404 296 H CYS 44 HN CYS 44 -1.586 1.145 1.145 297 HA CYS 44 HA CYS 44 -2.074 -0.032 -0.032 298 1HB CYS 44 HB2 CYS 44 -3.926 0.590 0.590 299 2HB CYS 44 HB1 CYS 44 -3.366 -0.723 -0.723 300 H PHE 45 HN PHE 45 -0.609 -1.622 -1.622 301 HA PHE 45 HA PHE 45 -0.003 -3.690 -3.690 302 1HB PHE 45 HB2 PHE 45 2.329 -3.765 -3.765 303 2HB PHE 45 HB1 PHE 45 1.932 -2.151 -2.151 304 HD1 PHE 45 HD1 PHE 45 0.944 -0.525 -0.525 305 HD2 PHE 45 HD2 PHE 45 3.438 -3.948 -3.948 306 HE1 PHE 45 HE1 PHE 45 1.609 0.415 0.415 307 HE2 PHE 45 HE2 PHE 45 4.104 -3.007 -3.007 308 HZ PHE 45 HZ PHE 45 3.190 -0.824 -0.824 309 H TYR 46 HN TYR 46 1.144 -5.644 -5.644 310 HA TYR 46 HA TYR 46 -0.712 -6.454 -6.454 311 1HB TYR 46 HB2 TYR 46 1.476 -7.766 -7.766 312 2HB TYR 46 HB1 TYR 46 0.916 -8.528 -8.528 313 HD1 TYR 46 HD1 TYR 46 -1.630 -8.909 -8.909 314 HD2 TYR 46 HD2 TYR 46 0.264 -8.022 -8.022 315 HE1 TYR 46 HE1 TYR 46 -3.593 -9.819 -9.819 316 HE2 TYR 46 HE2 TYR 46 -1.701 -8.933 -8.933 317 HH TYR 46 HH TYR 46 -3.731 -10.886 -10.886 318 HA PRO 47 HA PRO 47 2.130 -5.852 -5.852 319 1HB PRO 47 HB2 PRO 47 1.286 -7.903 -7.903 320 2HB PRO 47 HB1 PRO 47 0.413 -6.381 -6.381 321 1HG PRO 47 HG2 PRO 47 -0.374 -9.016 -9.016 322 2HG PRO 47 HG1 PRO 47 -1.261 -7.496 -7.496 323 1HD PRO 47 HD2 PRO 47 0.362 -8.972 -8.972 324 2HD PRO 47 HD1 PRO 47 -0.899 -7.748 -7.748 325 H ASN 48 HN ASN 48 3.310 -7.633 -7.633 326 HA ASN 48 HA ASN 48 4.561 -9.820 -9.820 327 1HB ASN 48 HB2 ASN 48 5.895 -7.192 -7.192 328 2HB ASN 48 HB1 ASN 48 6.863 -8.616 -8.616 329 1HD2 ASN 48 HD22 ASN 48 7.161 -9.640 -9.640 330 2HD2 ASN 48 HD21 ASN 48 7.451 -10.039 -10.039 331 H THR 49 HN THR 49 4.038 -11.243 -11.243 332 HA THR 49 HA THR 49 4.474 -10.504 -10.504 333 HB THR 49 HB THR 49 3.814 -12.904 -12.904 334 HG1 THR 49 HG1 THR 49 3.702 -14.209 -14.209 335 1HG2 THR 49 HG22 THR 49 2.211 -10.902 -10.902 336 2HG2 THR 49 HG21 THR 49 1.883 -11.574 -11.574 337 3HG2 THR 49 HG23 THR 49 1.526 -12.521 -12.521 338 H ILE 50 HN ILE 50 6.701 -10.182 -10.182 339 HA ILE 50 HA ILE 50 8.357 -12.617 -12.617 340 HB ILE 50 HB ILE 50 9.284 -9.816 -9.816 341 1HG1 ILE 50 HG12 ILE 50 8.773 -12.169 -12.169 342 2HG1 ILE 50 HG11 ILE 50 7.647 -10.828 -10.828 343 1HG2 ILE 50 HG22 ILE 50 10.585 -12.485 -12.485 344 2HG2 ILE 50 HG21 ILE 50 11.107 -11.473 -11.473 345 3HG2 ILE 50 HG23 ILE 50 11.242 -10.878 -10.878 346 1HD1 ILE 50 HD12 ILE 50 9.780 -9.359 -9.359 347 2HD1 ILE 50 HD11 ILE 50 10.353 -10.842 -10.842 348 3HD1 ILE 50 HD13 ILE 50 8.858 -10.086 -10.086 349 H ASP 51 HN ASP 51 10.366 -12.451 -12.451 350 HA ASP 51 HA ASP 51 9.662 -10.970 -10.970 351 1HB ASP 51 HB2 ASP 51 10.150 -13.635 -13.635 352 2HB ASP 51 HB1 ASP 51 11.772 -13.052 -13.052 353 H VAL 52 HN VAL 52 12.151 -10.993 -10.993 354 HA VAL 52 HA VAL 52 13.903 -9.529 -9.529 355 HB VAL 52 HB VAL 52 14.400 -7.937 -7.937 356 1HG1 VAL 52 HG13 VAL 52 11.610 -8.230 -8.230 357 2HG1 VAL 52 HG12 VAL 52 12.026 -6.881 -6.881 358 3HG1 VAL 52 HG11 VAL 52 12.868 -7.090 -7.090 359 1HG2 VAL 52 HG21 VAL 52 12.146 -9.484 -9.484 360 2HG2 VAL 52 HG23 VAL 52 13.792 -9.279 -9.279 361 3HG2 VAL 52 HG22 VAL 52 12.691 -7.902 -7.902 362 HA PRO 53 HA PRO 53 17.118 -11.918 -11.918 363 1HB PRO 53 HB2 PRO 53 19.268 -10.404 -10.404 364 2HB PRO 53 HB1 PRO 53 18.386 -11.551 -11.551 365 1HG PRO 53 HG2 PRO 53 18.503 -8.701 -8.701 366 2HG PRO 53 HG1 PRO 53 17.645 -9.854 -9.854 367 1HD PRO 53 HD2 PRO 53 16.595 -8.173 -8.173 368 2HD PRO 53 HD1 PRO 53 15.734 -8.927 -8.927 369 HA PRO 54 HA PRO 54 18.347 -10.678 -10.678 370 1HB PRO 54 HB2 PRO 54 21.188 -10.827 -10.827 371 2HB PRO 54 HB1 PRO 54 20.285 -11.786 -11.786 372 1HG PRO 54 HG2 PRO 54 21.027 -12.493 -12.493 373 2HG PRO 54 HG1 PRO 54 20.199 -13.478 -13.478 374 1HD PRO 54 HD2 PRO 54 19.027 -12.573 -12.573 375 2HD PRO 54 HD1 PRO 54 18.128 -13.027 -13.027 376 H GLU 55 HN GLU 55 20.412 -9.270 -9.270 377 HA GLU 55 HA GLU 55 20.058 -6.634 -6.634 378 1HB GLU 55 HB2 GLU 55 22.345 -7.756 -7.756 379 2HB GLU 55 HB1 GLU 55 22.665 -7.466 -7.466 380 1HG GLU 55 HG2 GLU 55 22.627 -5.145 -5.145 381 2HG GLU 55 HG1 GLU 55 21.657 -5.219 -5.219 382 H GLU 56 HN GLU 56 20.591 -4.815 -4.815 383 HA GLU 56 HA GLU 56 19.773 -5.652 -5.652 384 1HB GLU 56 HB2 GLU 56 18.409 -3.975 -3.975 385 2HB GLU 56 HB1 GLU 56 19.560 -2.815 -2.815 386 1HG GLU 56 HG2 GLU 56 17.684 -2.809 -2.809 387 2HG GLU 56 HG1 GLU 56 18.951 -3.726 -3.726 388 H GLU 57 HN GLU 57 21.445 -5.591 -5.591 389 HA GLU 57 HA GLU 57 23.305 -3.310 -3.310 390 1HB GLU 57 HB2 GLU 57 24.146 -5.531 -5.531 391 2HB GLU 57 HB1 GLU 57 24.451 -6.034 -6.034 392 1HG GLU 57 HG2 GLU 57 25.975 -4.274 -4.274 393 2HG GLU 57 HG1 GLU 57 25.397 -3.355 -3.355 394 H SER 58 HN SER 58 22.882 -2.412 -2.412 395 HA SER 58 HA SER 58 23.235 -4.165 -4.165 396 1HB SER 58 HB2 SER 58 21.003 -2.140 -2.140 397 2HB SER 58 HB1 SER 58 21.237 -3.466 -3.466 398 HG SER 58 HG SER 58 19.675 -3.639 -3.639 399 H GLU 59 HN GLU 59 24.759 -3.224 -3.224 400 HA GLU 59 HA GLU 59 24.881 -0.260 -0.260 401 1HB GLU 59 HB2 GLU 59 26.750 -1.318 -1.318 402 2HB GLU 59 HB1 GLU 59 27.264 -2.122 -2.122 403 1HG GLU 59 HG2 GLU 59 28.574 -0.129 -0.129 404 2HG GLU 59 HG1 GLU 59 27.337 0.194 0.194 405 H PHE 60 HN PHE 60 24.170 0.295 0.295 406 HA PHE 60 HA PHE 60 25.299 -1.240 -1.240 407 1HB PHE 60 HB2 PHE 60 22.819 -1.634 -1.634 408 2HB PHE 60 HB1 PHE 60 22.567 0.059 0.059 409 HD1 PHE 60 HD1 PHE 60 23.651 -3.251 -3.251 410 HD2 PHE 60 HD2 PHE 60 22.804 0.830 0.830 411 HE1 PHE 60 HE1 PHE 60 23.691 -3.856 -3.856 412 HE2 PHE 60 HE2 PHE 60 22.842 0.225 0.225 413 HZ PHE 60 HZ PHE 60 23.286 -2.119 -2.119 Start of MODEL 3 1 1H GLU 1 HT2 GLU 1 10.191 -10.988 -10.988 2 2H GLU 1 HT1 GLU 1 10.753 -12.426 -12.426 3 3H GLU 1 HT3 GLU 1 10.957 -12.167 -12.167 4 HA GLU 1 HA GLU 1 9.138 -13.366 -13.366 5 1HB GLU 1 HB2 GLU 1 8.936 -12.827 -12.827 6 2HB GLU 1 HB1 GLU 1 7.467 -13.325 -13.325 7 1HG GLU 1 HG2 GLU 1 10.033 -14.835 -14.835 8 2HG GLU 1 HG1 GLU 1 9.037 -15.168 -15.168 9 H ALA 2 HN ALA 2 9.456 -10.368 -10.368 10 HA ALA 2 HA ALA 2 6.570 -9.673 -9.673 11 1HB ALA 2 HB1 ALA 2 9.015 -7.901 -7.901 12 2HB ALA 2 HB3 ALA 2 7.378 -7.289 -7.289 13 3HB ALA 2 HB2 ALA 2 7.779 -8.176 -8.176 14 H GLN 3 HN GLN 3 6.240 -10.621 -10.621 15 HA GLN 3 HA GLN 3 7.893 -9.725 -9.725 16 1HB GLN 3 HB2 GLN 3 5.624 -11.614 -11.614 17 2HB GLN 3 HB1 GLN 3 5.800 -10.907 -10.907 18 1HG GLN 3 HG2 GLN 3 7.089 -12.941 -12.941 19 2HG GLN 3 HG1 GLN 3 8.233 -11.600 -11.600 20 1HE2 GLN 3 HE22 GLN 3 7.689 -13.811 -13.811 21 2HE2 GLN 3 HE21 GLN 3 6.431 -13.728 -13.728 22 H THR 4 HN THR 4 6.802 -8.665 -8.665 23 HA THR 4 HA THR 4 4.430 -7.070 -7.070 24 HB THR 4 HB THR 4 5.844 -5.038 -5.038 25 HG1 THR 4 HG1 THR 4 7.834 -5.667 -5.667 26 1HG2 THR 4 HG22 THR 4 4.749 -5.395 -5.395 27 2HG2 THR 4 HG21 THR 4 6.348 -5.901 -5.901 28 3HG2 THR 4 HG23 THR 4 6.104 -4.269 -4.269 29 H GLU 5 HN GLU 5 3.519 -6.033 -6.033 30 HA GLU 5 HA GLU 5 3.886 -7.682 -7.682 31 1HB GLU 5 HB2 GLU 5 2.151 -5.350 -5.350 32 2HB GLU 5 HB1 GLU 5 2.311 -5.795 -5.795 33 1HG GLU 5 HG2 GLU 5 1.505 -8.020 -8.020 34 2HG GLU 5 HG1 GLU 5 1.582 -7.779 -7.779 35 H THR 6 HN THR 6 4.163 -6.501 -6.501 36 HA THR 6 HA THR 6 5.938 -4.173 -4.173 37 HB THR 6 HB THR 6 6.835 -6.725 -6.725 38 HG1 THR 6 HG1 THR 6 8.444 -6.304 -6.304 39 1HG2 THR 6 HG21 THR 6 8.045 -4.006 -4.006 40 2HG2 THR 6 HG23 THR 6 9.052 -5.415 -5.415 41 3HG2 THR 6 HG22 THR 6 7.869 -4.872 -4.872 42 H CYS 7 HN CYS 7 4.367 -3.024 -3.024 43 HA CYS 7 HA CYS 7 3.535 -4.189 -4.189 44 1HB CYS 7 HB2 CYS 7 2.877 -1.560 -1.560 45 2HB CYS 7 HB1 CYS 7 2.237 -2.051 -2.051 46 H THR 8 HN THR 8 6.027 -2.153 -2.153 47 HA THR 8 HA THR 8 6.442 -0.523 -0.523 48 HB THR 8 HB THR 8 7.327 0.155 0.155 49 HG1 THR 8 HG1 THR 8 9.751 -0.172 -0.172 50 1HG2 THR 8 HG23 THR 8 8.025 -2.582 -2.582 51 2HG2 THR 8 HG22 THR 8 9.541 -1.683 -1.683 52 3HG2 THR 8 HG21 THR 8 8.292 -1.309 -1.309 53 H VAL 9 HN VAL 9 6.965 -1.406 -1.406 54 HA VAL 9 HA VAL 9 9.023 -3.545 -3.545 55 HB VAL 9 HB VAL 9 6.651 -3.305 -3.305 56 1HG1 VAL 9 HG13 VAL 9 8.908 -5.301 -5.301 57 2HG1 VAL 9 HG12 VAL 9 7.427 -5.662 -5.662 58 3HG1 VAL 9 HG11 VAL 9 8.481 -4.354 -4.354 59 1HG2 VAL 9 HG23 VAL 9 7.163 -4.975 -4.975 60 2HG2 VAL 9 HG22 VAL 9 5.726 -4.043 -4.043 61 3HG2 VAL 9 HG21 VAL 9 6.078 -5.546 -5.546 62 H ALA 10 HN ALA 10 10.149 -3.620 -3.620 63 HA ALA 10 HA ALA 10 11.047 -0.977 -0.977 64 1HB ALA 10 HB3 ALA 10 11.700 -3.743 -3.743 65 2HB ALA 10 HB2 ALA 10 11.956 -2.553 -2.553 66 3HB ALA 10 HB1 ALA 10 12.772 -2.369 -2.369 67 HA PRO 11 HA PRO 11 7.718 0.443 0.443 68 1HB PRO 11 HB2 PRO 11 9.855 1.532 1.532 69 2HB PRO 11 HB1 PRO 11 8.555 2.375 2.375 70 1HG PRO 11 HG2 PRO 11 11.289 2.128 2.128 71 2HG PRO 11 HG1 PRO 11 9.983 2.957 2.957 72 1HD PRO 11 HD2 PRO 11 11.290 0.658 0.658 73 2HD PRO 11 HD1 PRO 11 9.723 1.240 1.240 74 H ARG 12 HN ARG 12 10.716 -0.744 -0.744 75 HA ARG 12 HA ARG 12 9.272 -1.624 -1.624 76 1HB ARG 12 HB2 ARG 12 11.444 -2.722 -2.722 77 2HB ARG 12 HB1 ARG 12 11.620 -1.012 -1.012 78 1HG ARG 12 HG2 ARG 12 12.128 -1.763 -1.763 79 2HG ARG 12 HG1 ARG 12 12.284 -3.393 -3.393 80 1HD ARG 12 HD2 ARG 12 13.893 -2.266 -2.266 81 2HD ARG 12 HD1 ARG 12 13.986 -0.973 -0.973 82 HE ARG 12 HE ARG 12 14.427 -3.629 -3.629 83 1HH1 ARG 12 HH11 ARG 12 15.840 -0.817 -0.817 84 2HH1 ARG 12 HH12 ARG 12 17.429 -1.120 -1.120 85 1HH2 ARG 12 HH21 ARG 12 16.516 -4.005 -4.005 86 2HH2 ARG 12 HH22 ARG 12 17.807 -2.917 -2.917 87 H GLU 13 HN GLU 13 10.519 -3.204 -3.204 88 HA GLU 13 HA GLU 13 9.498 -5.793 -5.793 89 1HB GLU 13 HB2 GLU 13 11.246 -4.851 -4.851 90 2HB GLU 13 HB1 GLU 13 10.379 -6.375 -6.375 91 1HG GLU 13 HG2 GLU 13 11.360 -7.261 -7.261 92 2HG GLU 13 HG1 GLU 13 12.122 -5.709 -5.709 93 H ARG 14 HN ARG 14 7.463 -3.849 -3.849 94 HA ARG 14 HA ARG 14 6.214 -4.616 -4.616 95 1HB ARG 14 HB2 ARG 14 6.094 -2.226 -2.226 96 2HB ARG 14 HB1 ARG 14 4.565 -2.717 -2.717 97 1HG ARG 14 HG2 ARG 14 5.540 -2.633 -2.633 98 2HG ARG 14 HG1 ARG 14 7.136 -2.294 -2.294 99 1HD ARG 14 HD2 ARG 14 5.853 -0.275 -0.275 100 2HD ARG 14 HD1 ARG 14 4.743 -0.505 -0.505 101 HE ARG 14 HE ARG 14 7.543 -0.370 -0.370 102 1HH1 ARG 14 HH11 ARG 14 4.588 1.376 1.376 103 2HH1 ARG 14 HH12 ARG 14 5.031 2.729 2.729 104 1HH2 ARG 14 HH21 ARG 14 8.101 1.415 1.415 105 2HH2 ARG 14 HH22 ARG 14 7.009 2.752 2.752 106 H GLN 15 HN GLN 15 4.429 -5.957 -5.957 107 HA GLN 15 HA GLN 15 3.577 -7.066 -7.066 108 1HB GLN 15 HB2 GLN 15 3.241 -7.691 -7.691 109 2HB GLN 15 HB1 GLN 15 1.798 -8.002 -8.002 110 1HG GLN 15 HG2 GLN 15 3.022 -10.021 -10.021 111 2HG GLN 15 HG1 GLN 15 3.391 -9.200 -9.200 112 1HE2 GLN 15 HE22 GLN 15 6.836 -9.048 -9.048 113 2HE2 GLN 15 HE21 GLN 15 5.585 -8.909 -8.909 114 H ASN 16 HN ASN 16 2.288 -5.742 -5.742 115 HA ASN 16 HA ASN 16 0.656 -3.671 -3.671 116 1HB ASN 16 HB2 ASN 16 1.507 -4.231 -4.231 117 2HB ASN 16 HB1 ASN 16 -0.054 -5.046 -5.046 118 1HD2 ASN 16 HD22 ASN 16 -1.134 -1.776 -1.776 119 2HD2 ASN 16 HD21 ASN 16 -0.620 -3.283 -3.283 120 H CYS 17 HN CYS 17 -0.990 -4.072 -4.072 121 HA CYS 17 HA CYS 17 -2.514 -6.530 -6.530 122 1HB CYS 17 HB2 CYS 17 -2.024 -5.249 -5.249 123 2HB CYS 17 HB1 CYS 17 -3.092 -3.973 -3.973 124 H GLY 18 HN GLY 18 -2.744 -3.366 -3.366 125 1HA GLY 18 HA2 GLY 18 -4.900 -4.125 -4.125 126 2HA GLY 18 HA1 GLY 18 -5.501 -3.096 -3.096 127 H PHE 19 HN PHE 19 -5.845 -1.886 -1.886 128 HA PHE 19 HA PHE 19 -3.577 -0.551 -0.551 129 1HB PHE 19 HB2 PHE 19 -5.340 1.070 1.070 130 2HB PHE 19 HB1 PHE 19 -5.511 -0.617 -0.617 131 HD1 PHE 19 HD2 PHE 19 -7.182 -2.079 -2.079 132 HD2 PHE 19 HD1 PHE 19 -7.043 2.189 2.189 133 HE1 PHE 19 HE2 PHE 19 -9.484 -2.107 -2.107 134 HE2 PHE 19 HE1 PHE 19 -9.353 2.157 2.157 135 HZ PHE 19 HZ PHE 19 -10.569 0.009 0.009 136 HA PRO 20 HA PRO 20 -2.962 2.754 2.754 137 1HB PRO 20 HB2 PRO 20 -2.324 4.836 4.836 138 2HB PRO 20 HB1 PRO 20 -1.212 3.584 3.584 139 1HG PRO 20 HG2 PRO 20 -2.234 3.978 3.978 140 2HG PRO 20 HG1 PRO 20 -1.094 2.750 2.750 141 1HD PRO 20 HD2 PRO 20 -3.951 2.485 2.485 142 2HD PRO 20 HD1 PRO 20 -2.730 1.218 1.218 143 H GLY 21 HN GLY 21 -5.187 3.515 3.515 144 1HA GLY 21 HA2 GLY 21 -6.222 5.946 5.946 145 2HA GLY 21 HA1 GLY 21 -7.099 4.820 4.820 146 H VAL 22 HN VAL 22 -6.339 2.856 2.856 147 HA VAL 22 HA VAL 22 -8.940 2.797 2.797 148 HB VAL 22 HB VAL 22 -7.899 1.384 1.384 149 1HG1 VAL 22 HG11 VAL 22 -8.573 0.480 0.480 150 2HG1 VAL 22 HG13 VAL 22 -6.912 0.710 0.710 151 3HG1 VAL 22 HG12 VAL 22 -7.266 -0.424 -0.424 152 1HG2 VAL 22 HG22 VAL 22 -5.426 2.489 2.489 153 2HG2 VAL 22 HG21 VAL 22 -5.761 2.182 2.182 154 3HG2 VAL 22 HG23 VAL 22 -5.386 0.841 0.841 155 H THR 23 HN THR 23 -8.818 2.806 2.806 156 HA THR 23 HA THR 23 -7.576 5.307 5.307 157 HB THR 23 HB THR 23 -9.823 6.056 6.056 158 HG1 THR 23 HG1 THR 23 -11.070 4.629 4.629 159 1HG2 THR 23 HG21 THR 23 -8.663 6.931 6.931 160 2HG2 THR 23 HG23 THR 23 -9.791 5.922 5.922 161 3HG2 THR 23 HG22 THR 23 -10.398 7.221 7.221 162 HA PRO 24 HA PRO 24 -6.818 3.560 3.560 163 1HB PRO 24 HB2 PRO 24 -8.825 5.282 5.282 164 2HB PRO 24 HB1 PRO 24 -7.071 5.239 5.239 165 1HG PRO 24 HG2 PRO 24 -8.629 7.061 7.061 166 2HG PRO 24 HG1 PRO 24 -6.888 7.080 7.080 167 1HD PRO 24 HD2 PRO 24 -7.999 6.571 6.571 168 2HD PRO 24 HD1 PRO 24 -6.386 6.021 6.021 169 H SER 25 HN SER 25 -10.262 4.115 4.115 170 HA SER 25 HA SER 25 -11.233 2.139 2.139 171 1HB SER 25 HB2 SER 25 -12.536 4.131 4.131 172 2HB SER 25 HB1 SER 25 -12.687 3.209 3.209 173 HG SER 25 HG SER 25 -13.277 1.802 1.802 174 H GLN 26 HN GLN 26 -10.774 2.232 2.232 175 HA GLN 26 HA GLN 26 -11.695 -0.391 -0.391 176 1HB GLN 26 HB2 GLN 26 -9.939 1.570 1.570 177 2HB GLN 26 HB1 GLN 26 -9.946 -0.101 -0.101 178 1HG GLN 26 HG2 GLN 26 -12.608 1.100 1.100 179 2HG GLN 26 HG1 GLN 26 -11.740 1.740 1.740 180 1HE2 GLN 26 HE22 GLN 26 -12.046 -1.251 -1.251 181 2HE2 GLN 26 HE21 GLN 26 -11.257 0.246 0.246 182 H CYS 27 HN CYS 27 -8.400 0.839 0.839 183 HA CYS 27 HA CYS 27 -7.098 -1.675 -1.675 184 1HB CYS 27 HB2 CYS 27 -6.074 0.701 0.701 185 2HB CYS 27 HB1 CYS 27 -6.222 0.487 0.487 186 H ALA 28 HN ALA 28 -8.847 -0.105 -0.105 187 HA ALA 28 HA ALA 28 -8.060 -2.181 -2.181 188 1HB ALA 28 HB2 ALA 28 -9.910 0.204 0.204 189 2HB ALA 28 HB1 ALA 28 -9.740 -0.950 -0.950 190 3HB ALA 28 HB3 ALA 28 -8.348 -0.004 -0.004 191 H ASN 29 HN ASN 29 -10.311 -1.976 -1.976 192 HA ASN 29 HA ASN 29 -12.604 -3.170 -3.170 193 1HB ASN 29 HB2 ASN 29 -12.365 -2.065 -2.065 194 2HB ASN 29 HB1 ASN 29 -11.725 -3.621 -3.621 195 1HD2 ASN 29 HD22 ASN 29 -15.708 -3.191 -3.191 196 2HD2 ASN 29 HD21 ASN 29 -14.635 -1.889 -1.889 197 H LYS 30 HN LYS 30 -9.571 -4.500 -4.500 198 HA LYS 30 HA LYS 30 -10.592 -7.225 -7.225 199 1HB LYS 30 HB2 LYS 30 -8.435 -6.119 -6.119 200 2HB LYS 30 HB1 LYS 30 -8.328 -7.786 -7.786 201 1HG LYS 30 HG2 LYS 30 -10.578 -8.243 -8.243 202 2HG LYS 30 HG1 LYS 30 -10.687 -6.576 -6.576 203 1HD LYS 30 HD2 LYS 30 -8.400 -8.359 -8.359 204 2HD LYS 30 HD1 LYS 30 -9.931 -8.369 -8.369 205 1HE LYS 30 HE2 LYS 30 -8.476 -5.790 -5.790 206 2HE LYS 30 HE1 LYS 30 -8.095 -6.757 -6.757 207 1HZ LYS 30 HZ1 LYS 30 -10.783 -6.659 -6.659 208 2HZ LYS 30 HZ3 LYS 30 -10.349 -5.107 -5.107 209 3HZ LYS 30 HZ2 LYS 30 -9.754 -5.695 -5.695 210 H GLY 31 HN GLY 31 -7.918 -4.958 -4.958 211 1HA GLY 31 HA2 GLY 31 -7.244 -5.035 -5.035 212 2HA GLY 31 HA1 GLY 31 -7.097 -6.777 -6.777 213 H CYS 32 HN CYS 32 -6.155 -4.527 -4.527 214 HA CYS 32 HA CYS 32 -3.404 -5.530 -5.530 215 1HB CYS 32 HB2 CYS 32 -5.036 -4.158 -4.158 216 2HB CYS 32 HB1 CYS 32 -3.286 -3.940 -3.940 217 H CYS 33 HN CYS 33 -1.587 -4.126 -4.126 218 HA CYS 33 HA CYS 33 -2.089 -1.860 -1.860 219 1HB CYS 33 HB2 CYS 33 0.481 -2.631 -2.631 220 2HB CYS 33 HB1 CYS 33 0.329 -1.576 -1.576 221 H PHE 34 HN PHE 34 -2.065 0.344 0.344 222 HA PHE 34 HA PHE 34 -1.727 0.980 0.980 223 1HB PHE 34 HB2 PHE 34 -4.080 1.184 1.184 224 2HB PHE 34 HB1 PHE 34 -3.493 2.432 2.432 225 HD1 PHE 34 HD1 PHE 34 -2.701 4.598 4.598 226 HD2 PHE 34 HD2 PHE 34 -4.231 1.582 1.582 227 HE1 PHE 34 HE1 PHE 34 -2.893 6.283 6.283 228 HE2 PHE 34 HE2 PHE 34 -4.423 3.266 3.266 229 HZ PHE 34 HZ PHE 34 -3.753 5.617 5.617 230 H ASP 35 HN ASP 35 0.060 2.228 2.228 231 HA ASP 35 HA ASP 35 0.787 4.201 4.201 232 1HB ASP 35 HB2 ASP 35 2.231 2.048 2.048 233 2HB ASP 35 HB1 ASP 35 2.863 2.703 2.703 234 H ASP 36 HN ASP 36 0.742 6.214 6.214 235 HA ASP 36 HA ASP 36 1.369 6.432 6.432 236 1HB ASP 36 HB2 ASP 36 -0.043 8.502 8.502 237 2HB ASP 36 HB1 ASP 36 -0.948 7.032 7.032 238 H THR 37 HN THR 37 3.678 6.568 6.568 239 HA THR 37 HA THR 37 4.280 9.244 9.244 240 HB THR 37 HB THR 37 6.405 8.258 8.258 241 HG1 THR 37 HG1 THR 37 5.393 6.103 6.103 242 1HG2 THR 37 HG23 THR 37 3.814 6.929 6.929 243 2HG2 THR 37 HG22 THR 37 5.325 6.454 6.454 244 3HG2 THR 37 HG21 THR 37 4.753 8.118 8.118 245 H VAL 38 HN VAL 38 5.163 6.838 6.838 246 HA VAL 38 HA VAL 38 6.649 8.999 8.999 247 HB VAL 38 HB VAL 38 7.034 6.003 6.003 248 1HG1 VAL 38 HG11 VAL 38 7.625 7.356 7.356 249 2HG1 VAL 38 HG13 VAL 38 8.682 8.348 8.348 250 3HG1 VAL 38 HG12 VAL 38 9.051 6.642 6.642 251 1HG2 VAL 38 HG23 VAL 38 7.699 6.937 6.937 252 2HG2 VAL 38 HG22 VAL 38 9.057 6.299 6.299 253 3HG2 VAL 38 HG21 VAL 38 8.792 8.039 8.039 254 H ARG 39 HN ARG 39 6.266 9.227 9.227 255 HA ARG 39 HA ARG 39 3.675 8.123 8.123 256 1HB ARG 39 HB2 ARG 39 5.379 10.449 10.449 257 2HB ARG 39 HB1 ARG 39 4.315 9.755 9.755 258 1HG ARG 39 HG2 ARG 39 2.394 10.363 10.363 259 2HG ARG 39 HG1 ARG 39 3.161 10.253 10.253 260 1HD ARG 39 HD2 ARG 39 2.813 12.584 12.584 261 2HD ARG 39 HD1 ARG 39 4.530 12.300 12.300 262 HE ARG 39 HE ARG 39 3.181 11.979 11.979 263 1HH1 ARG 39 HH21 ARG 39 3.942 14.444 14.444 264 2HH1 ARG 39 HH22 ARG 39 3.957 15.729 15.729 265 1HH2 ARG 39 HH11 ARG 39 3.207 13.678 13.678 266 2HH2 ARG 39 HH12 ARG 39 3.542 15.295 15.295 267 H GLY 40 HN GLY 40 3.746 7.795 7.795 268 1HA GLY 40 HA2 GLY 40 4.474 6.430 6.430 269 2HA GLY 40 HA1 GLY 40 6.111 6.727 6.727 270 H VAL 41 HN VAL 41 4.232 5.514 5.514 271 HA VAL 41 HA VAL 41 4.993 2.718 2.718 272 HB VAL 41 HB VAL 41 5.612 2.464 2.464 273 1HG1 VAL 41 HG13 VAL 41 7.057 4.433 4.433 274 2HG1 VAL 41 HG12 VAL 41 7.710 3.969 3.969 275 3HG1 VAL 41 HG11 VAL 41 7.459 2.747 2.747 276 1HG2 VAL 41 HG23 VAL 41 4.212 4.578 4.578 277 2HG2 VAL 41 HG22 VAL 41 5.729 4.313 4.313 278 3HG2 VAL 41 HG21 VAL 41 5.658 5.476 5.476 279 HA PRO 42 HA PRO 42 0.945 1.744 1.744 280 1HB PRO 42 HB2 PRO 42 1.472 -0.810 -0.810 281 2HB PRO 42 HB1 PRO 42 1.169 -0.403 -0.403 282 1HG PRO 42 HG2 PRO 42 3.590 -1.343 -1.343 283 2HG PRO 42 HG1 PRO 42 3.299 -0.886 -0.886 284 1HD PRO 42 HD2 PRO 42 4.592 0.664 0.664 285 2HD PRO 42 HD1 PRO 42 4.741 0.837 0.837 286 H TRP 43 HN TRP 43 -0.152 2.284 2.284 287 HA TRP 43 HA TRP 43 1.372 2.371 2.371 288 1HB TRP 43 HB2 TRP 43 -1.452 3.322 3.322 289 2HB TRP 43 HB1 TRP 43 -0.459 3.728 3.728 290 HD1 TRP 43 HD1 TRP 43 2.255 4.422 4.422 291 HE1 TRP 43 HE1 TRP 43 2.470 6.524 6.524 292 HE3 TRP 43 HE3 TRP 43 -2.661 5.204 5.204 293 HZ2 TRP 43 HZ2 TRP 43 0.783 8.303 8.303 294 HZ3 TRP 43 HZ3 TRP 43 -3.328 7.109 7.109 295 HH2 TRP 43 HH2 TRP 43 -1.613 8.657 8.657 296 H CYS 44 HN CYS 44 -1.723 1.006 1.006 297 HA CYS 44 HA CYS 44 -2.166 -0.475 -0.475 298 1HB CYS 44 HB2 CYS 44 -3.976 0.365 0.365 299 2HB CYS 44 HB1 CYS 44 -3.486 -0.918 -0.918 300 H PHE 45 HN PHE 45 -0.734 -2.122 -2.122 301 HA PHE 45 HA PHE 45 -0.377 -4.174 -4.174 302 1HB PHE 45 HB2 PHE 45 2.053 -4.381 -4.381 303 2HB PHE 45 HB1 PHE 45 1.681 -3.020 -3.020 304 HD1 PHE 45 HD2 PHE 45 1.715 -3.896 -3.896 305 HD2 PHE 45 HD1 PHE 45 2.371 -0.893 -0.893 306 HE1 PHE 45 HE2 PHE 45 2.514 -2.330 -2.330 307 HE2 PHE 45 HE1 PHE 45 3.168 0.677 0.677 308 HZ PHE 45 HZ PHE 45 3.237 -0.043 -0.043 309 H TYR 46 HN TYR 46 1.041 -6.073 -6.073 310 HA TYR 46 HA TYR 46 -0.723 -6.756 -6.756 311 1HB TYR 46 HB2 TYR 46 1.181 -8.271 -8.271 312 2HB TYR 46 HB1 TYR 46 0.693 -8.956 -8.956 313 HD1 TYR 46 HD2 TYR 46 -1.778 -9.243 -9.243 314 HD2 TYR 46 HD1 TYR 46 -0.292 -8.280 -8.280 315 HE1 TYR 46 HE2 TYR 46 -3.927 -9.975 -9.975 316 HE2 TYR 46 HE1 TYR 46 -2.443 -9.012 -9.012 317 HH TYR 46 HH TYR 46 -4.642 -10.877 -10.877 318 HA PRO 47 HA PRO 47 2.469 -6.192 -6.192 319 1HB PRO 47 HB2 PRO 47 1.478 -7.943 -7.943 320 2HB PRO 47 HB1 PRO 47 0.844 -6.320 -6.320 321 1HG PRO 47 HG2 PRO 47 -0.436 -8.834 -8.834 322 2HG PRO 47 HG1 PRO 47 -1.069 -7.208 -7.208 323 1HD PRO 47 HD2 PRO 47 0.123 -9.125 -9.125 324 2HD PRO 47 HD1 PRO 47 -0.955 -7.748 -7.748 325 H ASN 48 HN ASN 48 3.989 -7.509 -7.509 326 HA ASN 48 HA ASN 48 4.606 -10.190 -10.190 327 1HB ASN 48 HB2 ASN 48 6.408 -7.778 -7.778 328 2HB ASN 48 HB1 ASN 48 7.092 -9.399 -9.399 329 1HD2 ASN 48 HD22 ASN 48 5.637 -8.138 -8.138 330 2HD2 ASN 48 HD21 ASN 48 5.656 -7.124 -7.124 331 H THR 49 HN THR 49 3.833 -10.908 -10.908 332 HA THR 49 HA THR 49 4.903 -9.890 -9.890 333 HB THR 49 HB THR 49 4.007 -12.045 -12.045 334 HG1 THR 49 HG1 THR 49 2.684 -13.169 -13.169 335 1HG2 THR 49 HG21 THR 49 2.665 -9.868 -9.868 336 2HG2 THR 49 HG23 THR 49 1.937 -10.913 -10.913 337 3HG2 THR 49 HG22 THR 49 1.799 -11.322 -11.322 338 H ILE 50 HN ILE 50 6.833 -10.354 -10.354 339 HA ILE 50 HA ILE 50 8.445 -12.563 -12.563 340 HB ILE 50 HB ILE 50 9.453 -10.005 -10.005 341 1HG1 ILE 50 HG12 ILE 50 9.558 -10.766 -10.766 342 2HG1 ILE 50 HG11 ILE 50 8.252 -9.788 -9.788 343 1HG2 ILE 50 HG23 ILE 50 10.879 -12.122 -12.122 344 2HG2 ILE 50 HG22 ILE 50 10.956 -12.038 -12.038 345 3HG2 ILE 50 HG21 ILE 50 11.626 -10.730 -10.730 346 1HD1 ILE 50 HD13 ILE 50 11.175 -9.078 -9.078 347 2HD1 ILE 50 HD12 ILE 50 10.193 -8.475 -8.475 348 3HD1 ILE 50 HD11 ILE 50 9.773 -8.059 -8.059 349 H ASP 51 HN ASP 51 9.384 -14.012 -14.012 350 HA ASP 51 HA ASP 51 9.168 -13.405 -13.405 351 1HB ASP 51 HB2 ASP 51 8.203 -15.680 -15.680 352 2HB ASP 51 HB1 ASP 51 7.111 -14.614 -14.614 353 H VAL 52 HN VAL 52 10.407 -15.114 -15.114 354 HA VAL 52 HA VAL 52 12.997 -15.481 -15.481 355 HB VAL 52 HB VAL 52 13.456 -16.746 -16.746 356 1HG1 VAL 52 HG13 VAL 52 13.328 -14.140 -14.140 357 2HG1 VAL 52 HG12 VAL 52 11.889 -14.286 -14.286 358 3HG1 VAL 52 HG11 VAL 52 13.452 -14.828 -14.828 359 1HG2 VAL 52 HG23 VAL 52 10.468 -16.424 -16.424 360 2HG2 VAL 52 HG22 VAL 52 11.452 -17.862 -17.862 361 3HG2 VAL 52 HG21 VAL 52 11.477 -16.539 -16.539 362 HA PRO 53 HA PRO 53 11.807 -19.497 -19.497 363 1HB PRO 53 HB2 PRO 53 13.575 -19.322 -19.322 364 2HB PRO 53 HB1 PRO 53 11.962 -18.592 -18.592 365 1HG PRO 53 HG2 PRO 53 14.517 -17.276 -17.276 366 2HG PRO 53 HG1 PRO 53 12.903 -16.553 -16.553 367 1HD PRO 53 HD2 PRO 53 14.679 -16.874 -16.874 368 2HD PRO 53 HD1 PRO 53 13.316 -15.763 -15.763 369 HA PRO 54 HA PRO 54 15.383 -21.993 -21.993 370 1HB PRO 54 HB2 PRO 54 14.956 -24.165 -24.165 371 2HB PRO 54 HB1 PRO 54 14.037 -23.834 -23.834 372 1HG PRO 54 HG2 PRO 54 13.109 -23.787 -23.787 373 2HG PRO 54 HG1 PRO 54 12.192 -23.466 -23.466 374 1HD PRO 54 HD2 PRO 54 13.391 -21.547 -21.547 375 2HD PRO 54 HD1 PRO 54 12.058 -21.312 -21.312 376 H GLU 55 HN GLU 55 14.947 -22.224 -22.224 377 HA GLU 55 HA GLU 55 17.812 -21.562 -21.562 378 1HB GLU 55 HB2 GLU 55 16.375 -24.018 -24.018 379 2HB GLU 55 HB1 GLU 55 17.609 -23.332 -23.332 380 1HG GLU 55 HG2 GLU 55 19.294 -24.034 -24.034 381 2HG GLU 55 HG1 GLU 55 18.485 -23.457 -23.457 382 H GLU 56 HN GLU 56 17.492 -19.542 -19.542 383 HA GLU 56 HA GLU 56 15.449 -19.240 -19.240 384 1HB GLU 56 HB2 GLU 56 16.235 -16.865 -16.865 385 2HB GLU 56 HB1 GLU 56 15.716 -17.413 -17.413 386 1HG GLU 56 HG2 GLU 56 17.728 -16.795 -16.795 387 2HG GLU 56 HG1 GLU 56 18.456 -18.080 -18.080 388 H GLU 57 HN GLU 57 16.021 -20.084 -20.084 389 HA GLU 57 HA GLU 57 18.520 -19.111 -19.111 390 1HB GLU 57 HB2 GLU 57 17.928 -21.935 -21.935 391 2HB GLU 57 HB1 GLU 57 18.615 -21.661 -21.661 392 1HG GLU 57 HG2 GLU 57 20.607 -20.836 -20.836 393 2HG GLU 57 HG1 GLU 57 19.858 -20.252 -20.252 394 H SER 58 HN SER 58 18.204 -18.613 -18.613 395 HA SER 58 HA SER 58 15.871 -19.820 -19.820 396 1HB SER 58 HB2 SER 58 16.539 -16.868 -16.868 397 2HB SER 58 HB1 SER 58 15.336 -17.571 -17.571 398 HG SER 58 HG SER 58 14.868 -18.509 -18.509 399 H GLU 59 HN GLU 59 15.991 -19.178 -19.178 400 HA GLU 59 HA GLU 59 18.774 -19.665 -19.665 401 1HB GLU 59 HB2 GLU 59 16.831 -21.107 -21.107 402 2HB GLU 59 HB1 GLU 59 16.283 -19.703 -19.703 403 1HG GLU 59 HG2 GLU 59 19.133 -20.609 -20.609 404 2HG GLU 59 HG1 GLU 59 17.868 -21.465 -21.465 405 H PHE 60 HN PHE 60 19.971 -17.929 -17.929 406 HA PHE 60 HA PHE 60 18.529 -15.497 -15.497 407 1HB PHE 60 HB2 PHE 60 21.222 -16.066 -16.066 408 2HB PHE 60 HB1 PHE 60 21.046 -14.648 -14.648 409 HD1 PHE 60 HD1 PHE 60 19.112 -16.365 -16.365 410 HD2 PHE 60 HD2 PHE 60 20.507 -12.658 -12.658 411 HE1 PHE 60 HE1 PHE 60 18.052 -15.128 -15.128 412 HE2 PHE 60 HE2 PHE 60 19.447 -11.421 -11.421 413 HZ PHE 60 HZ PHE 60 18.221 -12.656 -12.656 Start of MODEL 4 1 1H GLU 1 HT2 GLU 1 7.109 -15.293 -15.293 2 2H GLU 1 HT1 GLU 1 5.576 -15.911 -15.911 3 3H GLU 1 HT3 GLU 1 6.645 -16.837 -16.837 4 HA GLU 1 HA GLU 1 5.590 -16.058 -16.058 5 1HB GLU 1 HB2 GLU 1 4.064 -14.091 -14.091 6 2HB GLU 1 HB1 GLU 1 3.716 -15.321 -15.321 7 1HG GLU 1 HG2 GLU 1 5.491 -13.845 -13.845 8 2HG GLU 1 HG1 GLU 1 4.840 -12.585 -12.585 9 H ALA 2 HN ALA 2 6.167 -14.609 -14.609 10 HA ALA 2 HA ALA 2 7.811 -12.280 -12.280 11 1HB ALA 2 HB2 ALA 2 9.287 -14.421 -14.421 12 2HB ALA 2 HB1 ALA 2 9.041 -14.408 -14.408 13 3HB ALA 2 HB3 ALA 2 9.823 -13.040 -13.040 14 H GLN 3 HN GLN 3 5.258 -12.668 -12.668 15 HA GLN 3 HA GLN 3 5.794 -12.500 -12.500 16 1HB GLN 3 HB2 GLN 3 3.232 -12.036 -12.036 17 2HB GLN 3 HB1 GLN 3 3.366 -12.207 -12.207 18 1HG GLN 3 HG2 GLN 3 2.841 -14.388 -14.388 19 2HG GLN 3 HG1 GLN 3 4.597 -14.474 -14.474 20 1HE2 GLN 3 HE22 GLN 3 4.167 -15.631 -15.631 21 2HE2 GLN 3 HE21 GLN 3 4.852 -15.893 -15.893 22 H THR 4 HN THR 4 6.617 -10.606 -10.606 23 HA THR 4 HA THR 4 5.765 -8.087 -8.087 24 HB THR 4 HB THR 4 7.779 -7.101 -7.101 25 HG1 THR 4 HG1 THR 4 8.289 -9.770 -9.770 26 1HG2 THR 4 HG23 THR 4 8.184 -9.612 -9.612 27 2HG2 THR 4 HG22 THR 4 9.469 -8.448 -8.448 28 3HG2 THR 4 HG21 THR 4 8.047 -7.956 -7.956 29 H GLU 5 HN GLU 5 4.590 -6.617 -6.617 30 HA GLU 5 HA GLU 5 3.751 -7.407 -7.407 31 1HB GLU 5 HB2 GLU 5 2.984 -5.099 -5.099 32 2HB GLU 5 HB1 GLU 5 2.291 -5.366 -5.366 33 1HG GLU 5 HG2 GLU 5 1.576 -7.646 -7.646 34 2HG GLU 5 HG1 GLU 5 2.152 -7.257 -7.257 35 H THR 6 HN THR 6 4.525 -6.476 -6.476 36 HA THR 6 HA THR 6 5.941 -3.913 -3.913 37 HB THR 6 HB THR 6 7.310 -6.295 -6.295 38 HG1 THR 6 HG1 THR 6 7.374 -5.311 -5.311 39 1HG2 THR 6 HG21 THR 6 8.150 -3.511 -3.511 40 2HG2 THR 6 HG23 THR 6 9.300 -4.770 -4.770 41 3HG2 THR 6 HG22 THR 6 8.126 -4.185 -4.185 42 H CYS 7 HN CYS 7 4.956 -2.760 -2.760 43 HA CYS 7 HA CYS 7 4.253 -4.201 -4.201 44 1HB CYS 7 HB2 CYS 7 3.174 -1.616 -1.616 45 2HB CYS 7 HB1 CYS 7 2.725 -2.264 -2.264 46 H THR 8 HN THR 8 6.336 -1.797 -1.797 47 HA THR 8 HA THR 8 6.814 -0.265 -0.265 48 HB THR 8 HB THR 8 7.384 0.633 0.633 49 HG1 THR 8 HG1 THR 8 9.706 1.001 1.001 50 1HG2 THR 8 HG22 THR 8 8.072 -1.811 -1.811 51 2HG2 THR 8 HG21 THR 8 9.676 -1.274 -1.274 52 3HG2 THR 8 HG23 THR 8 8.803 -0.395 -0.395 53 H VAL 9 HN VAL 9 7.547 -1.307 -1.307 54 HA VAL 9 HA VAL 9 9.930 -3.041 -3.041 55 HB VAL 9 HB VAL 9 7.631 -3.573 -3.573 56 1HG1 VAL 9 HG13 VAL 9 10.254 -4.911 -4.911 57 2HG1 VAL 9 HG12 VAL 9 8.897 -5.863 -5.863 58 3HG1 VAL 9 HG11 VAL 9 9.544 -4.540 -4.540 59 1HG2 VAL 9 HG21 VAL 9 8.191 -4.459 -4.459 60 2HG2 VAL 9 HG23 VAL 9 6.644 -4.237 -4.237 61 3HG2 VAL 9 HG22 VAL 9 7.605 -5.684 -5.684 62 H ALA 10 HN ALA 10 10.965 -3.375 -3.375 63 HA ALA 10 HA ALA 10 11.587 -0.780 -0.780 64 1HB ALA 10 HB3 ALA 10 12.175 -3.567 -3.567 65 2HB ALA 10 HB2 ALA 10 12.793 -2.110 -2.110 66 3HB ALA 10 HB1 ALA 10 13.263 -2.495 -2.495 67 HA PRO 11 HA PRO 11 7.935 0.026 0.026 68 1HB PRO 11 HB2 PRO 11 9.828 1.227 1.227 69 2HB PRO 11 HB1 PRO 11 8.480 1.972 1.972 70 1HG PRO 11 HG2 PRO 11 11.254 2.133 2.133 71 2HG PRO 11 HG1 PRO 11 9.900 2.841 2.841 72 1HD PRO 11 HD2 PRO 11 11.556 0.787 0.787 73 2HD PRO 11 HD1 PRO 11 9.981 1.228 1.228 74 H ARG 12 HN ARG 12 10.954 -1.341 -1.341 75 HA ARG 12 HA ARG 12 9.668 -2.300 -2.300 76 1HB ARG 12 HB2 ARG 12 11.831 -3.494 -3.494 77 2HB ARG 12 HB1 ARG 12 12.049 -1.771 -1.771 78 1HG ARG 12 HG2 ARG 12 12.211 -2.573 -2.573 79 2HG ARG 12 HG1 ARG 12 12.662 -4.107 -4.107 80 1HD ARG 12 HD2 ARG 12 14.389 -2.850 -2.850 81 2HD ARG 12 HD1 ARG 12 14.021 -1.424 -1.424 82 HE ARG 12 HE ARG 12 14.729 -3.840 -3.840 83 1HH1 ARG 12 HH11 ARG 12 15.719 -0.802 -0.802 84 2HH1 ARG 12 HH12 ARG 12 17.124 -0.650 -0.650 85 1HH2 ARG 12 HH21 ARG 12 16.576 -3.620 -3.620 86 2HH2 ARG 12 HH22 ARG 12 17.606 -2.239 -2.239 87 H GLU 13 HN GLU 13 10.853 -3.812 -3.812 88 HA GLU 13 HA GLU 13 9.746 -6.389 -6.389 89 1HB GLU 13 HB2 GLU 13 11.150 -5.330 -5.330 90 2HB GLU 13 HB1 GLU 13 10.418 -6.936 -6.936 91 1HG GLU 13 HG2 GLU 13 12.250 -6.127 -6.127 92 2HG GLU 13 HG1 GLU 13 12.941 -6.642 -6.642 93 H ARG 14 HN ARG 14 7.772 -4.327 -4.327 94 HA ARG 14 HA ARG 14 6.245 -4.877 -4.877 95 1HB ARG 14 HB2 ARG 14 6.172 -2.696 -2.696 96 2HB ARG 14 HB1 ARG 14 4.756 -3.011 -3.011 97 1HG ARG 14 HG2 ARG 14 6.445 -2.928 -2.928 98 2HG ARG 14 HG1 ARG 14 7.497 -2.095 -2.095 99 1HD ARG 14 HD2 ARG 14 5.664 -0.462 -0.462 100 2HD ARG 14 HD1 ARG 14 4.695 -1.259 -1.259 101 HE ARG 14 HE ARG 14 6.977 -0.679 -0.679 102 1HH1 ARG 14 HH11 ARG 14 4.904 1.193 1.193 103 2HH1 ARG 14 HH12 ARG 14 5.241 2.694 2.694 104 1HH2 ARG 14 HH21 ARG 14 7.403 1.299 1.299 105 2HH2 ARG 14 HH22 ARG 14 6.649 2.752 2.752 106 H GLN 15 HN GLN 15 4.193 -5.860 -5.860 107 HA GLN 15 HA GLN 15 3.624 -7.243 -7.243 108 1HB GLN 15 HB2 GLN 15 2.299 -7.498 -7.498 109 2HB GLN 15 HB1 GLN 15 2.058 -8.568 -8.568 110 1HG GLN 15 HG2 GLN 15 4.841 -8.111 -8.111 111 2HG GLN 15 HG1 GLN 15 3.780 -9.229 -9.229 112 1HE2 GLN 15 HE22 GLN 15 4.911 -10.164 -10.164 113 2HE2 GLN 15 HE21 GLN 15 4.896 -8.538 -8.538 114 H ASN 16 HN ASN 16 2.376 -6.079 -6.079 115 HA ASN 16 HA ASN 16 0.762 -3.873 -3.873 116 1HB ASN 16 HB2 ASN 16 1.647 -4.676 -4.676 117 2HB ASN 16 HB1 ASN 16 0.151 -5.610 -5.610 118 1HD2 ASN 16 HD22 ASN 16 0.014 -1.673 -1.673 119 2HD2 ASN 16 HD21 ASN 16 1.470 -2.537 -2.537 120 H CYS 17 HN CYS 17 -0.957 -4.014 -4.014 121 HA CYS 17 HA CYS 17 -2.572 -6.451 -6.451 122 1HB CYS 17 HB2 CYS 17 -1.927 -5.186 -5.186 123 2HB CYS 17 HB1 CYS 17 -2.932 -3.851 -3.851 124 H GLY 18 HN GLY 18 -2.604 -3.398 -3.398 125 1HA GLY 18 HA2 GLY 18 -4.815 -3.981 -3.981 126 2HA GLY 18 HA1 GLY 18 -5.418 -3.024 -3.024 127 H PHE 19 HN PHE 19 -5.776 -1.710 -1.710 128 HA PHE 19 HA PHE 19 -3.525 -0.297 -0.297 129 1HB PHE 19 HB2 PHE 19 -5.322 1.335 1.335 130 2HB PHE 19 HB1 PHE 19 -5.454 -0.330 -0.330 131 HD1 PHE 19 HD2 PHE 19 -7.106 -1.882 -1.882 132 HD2 PHE 19 HD1 PHE 19 -7.032 2.340 2.340 133 HE1 PHE 19 HE2 PHE 19 -9.406 -2.014 -2.014 134 HE2 PHE 19 HE1 PHE 19 -9.339 2.204 2.204 135 HZ PHE 19 HZ PHE 19 -10.521 0.028 0.028 136 HA PRO 20 HA PRO 20 -2.975 2.895 2.895 137 1HB PRO 20 HB2 PRO 20 -2.388 5.065 5.065 138 2HB PRO 20 HB1 PRO 20 -1.248 3.813 3.813 139 1HG PRO 20 HG2 PRO 20 -2.285 4.303 4.303 140 2HG PRO 20 HG1 PRO 20 -1.120 3.073 3.073 141 1HD PRO 20 HD2 PRO 20 -3.974 2.780 2.780 142 2HD PRO 20 HD1 PRO 20 -2.727 1.529 1.529 143 H GLY 21 HN GLY 21 -5.227 3.730 3.730 144 1HA GLY 21 HA2 GLY 21 -6.304 6.100 6.100 145 2HA GLY 21 HA1 GLY 21 -7.178 4.979 4.979 146 H VAL 22 HN VAL 22 -6.374 2.943 2.943 147 HA VAL 22 HA VAL 22 -8.944 2.861 2.861 148 HB VAL 22 HB VAL 22 -7.839 1.380 1.380 149 1HG1 VAL 22 HG12 VAL 22 -8.653 0.598 0.598 150 2HG1 VAL 22 HG11 VAL 22 -6.985 0.732 0.732 151 3HG1 VAL 22 HG13 VAL 22 -7.394 -0.403 -0.403 152 1HG2 VAL 22 HG22 VAL 22 -5.395 2.325 2.325 153 2HG2 VAL 22 HG21 VAL 22 -5.666 2.299 2.299 154 3HG2 VAL 22 HG23 VAL 22 -5.406 0.790 0.790 155 H THR 23 HN THR 23 -9.269 3.080 3.080 156 HA THR 23 HA THR 23 -7.799 5.456 5.456 157 HB THR 23 HB THR 23 -9.991 6.150 6.150 158 HG1 THR 23 HG1 THR 23 -11.810 5.170 5.170 159 1HG2 THR 23 HG22 THR 23 -9.913 5.946 5.946 160 2HG2 THR 23 HG21 THR 23 -10.915 7.067 7.067 161 3HG2 THR 23 HG23 THR 23 -9.160 7.213 7.213 162 HA PRO 24 HA PRO 24 -6.756 3.592 3.592 163 1HB PRO 24 HB2 PRO 24 -8.613 5.316 5.316 164 2HB PRO 24 HB1 PRO 24 -6.846 5.253 5.253 165 1HG PRO 24 HG2 PRO 24 -8.524 7.118 7.118 166 2HG PRO 24 HG1 PRO 24 -6.763 7.121 7.121 167 1HD PRO 24 HD2 PRO 24 -8.093 6.668 6.668 168 2HD PRO 24 HD1 PRO 24 -6.442 6.113 6.113 169 H SER 25 HN SER 25 -10.239 4.260 4.260 170 HA SER 25 HA SER 25 -11.170 2.340 2.340 171 1HB SER 25 HB2 SER 25 -12.409 3.827 3.827 172 2HB SER 25 HB1 SER 25 -13.300 2.533 2.533 173 HG SER 25 HG SER 25 -13.669 4.603 4.603 174 H GLN 26 HN GLN 26 -10.774 2.240 2.240 175 HA GLN 26 HA GLN 26 -11.703 -0.406 -0.406 176 1HB GLN 26 HB2 GLN 26 -9.874 1.397 1.397 177 2HB GLN 26 HB1 GLN 26 -10.128 -0.274 -0.274 178 1HG GLN 26 HG2 GLN 26 -12.554 1.327 1.327 179 2HG GLN 26 HG1 GLN 26 -11.719 1.716 1.716 180 1HE2 GLN 26 HE22 GLN 26 -12.969 -1.116 -1.116 181 2HE2 GLN 26 HE21 GLN 26 -12.211 0.400 0.400 182 H CYS 27 HN CYS 27 -8.337 0.835 0.835 183 HA CYS 27 HA CYS 27 -7.130 -1.741 -1.741 184 1HB CYS 27 HB2 CYS 27 -6.048 0.621 0.621 185 2HB CYS 27 HB1 CYS 27 -6.014 0.593 0.593 186 H ALA 28 HN ALA 28 -8.762 0.128 0.128 187 HA ALA 28 HA ALA 28 -7.770 -1.594 -1.594 188 1HB ALA 28 HB3 ALA 28 -9.724 0.710 0.710 189 2HB ALA 28 HB2 ALA 28 -9.448 -0.228 -0.228 190 3HB ALA 28 HB1 ALA 28 -8.122 0.680 0.680 191 H ASN 29 HN ASN 29 -10.211 -1.780 -1.780 192 HA ASN 29 HA ASN 29 -12.070 -3.282 -3.282 193 1HB ASN 29 HB2 ASN 29 -12.870 -1.679 -1.679 194 2HB ASN 29 HB1 ASN 29 -12.205 -2.784 -2.784 195 1HD2 ASN 29 HD22 ASN 29 -15.759 -3.633 -3.633 196 2HD2 ASN 29 HD21 ASN 29 -14.920 -2.198 -2.198 197 H LYS 30 HN LYS 30 -9.546 -3.800 -3.800 198 HA LYS 30 HA LYS 30 -10.260 -6.626 -6.626 199 1HB LYS 30 HB2 LYS 30 -9.089 -4.829 -4.829 200 2HB LYS 30 HB1 LYS 30 -7.678 -5.682 -5.682 201 1HG LYS 30 HG2 LYS 30 -8.279 -7.671 -7.671 202 2HG LYS 30 HG1 LYS 30 -10.004 -7.367 -7.367 203 1HD LYS 30 HD2 LYS 30 -9.669 -7.201 -7.201 204 2HD LYS 30 HD1 LYS 30 -9.682 -5.522 -5.522 205 1HE LYS 30 HE2 LYS 30 -7.047 -6.902 -6.902 206 2HE LYS 30 HE1 LYS 30 -7.727 -6.521 -6.521 207 1HZ LYS 30 HZ1 LYS 30 -8.163 -4.299 -4.299 208 2HZ LYS 30 HZ3 LYS 30 -6.620 -4.802 -4.802 209 3HZ LYS 30 HZ2 LYS 30 -6.935 -4.516 -4.516 210 H GLY 31 HN GLY 31 -7.963 -4.573 -4.573 211 1HA GLY 31 HA2 GLY 31 -6.936 -5.321 -5.321 212 2HA GLY 31 HA1 GLY 31 -7.032 -6.977 -6.977 213 H CYS 32 HN CYS 32 -5.763 -4.013 -4.013 214 HA CYS 32 HA CYS 32 -3.153 -5.418 -5.418 215 1HB CYS 32 HB2 CYS 32 -4.779 -3.936 -3.936 216 2HB CYS 32 HB1 CYS 32 -3.025 -3.804 -3.804 217 H CYS 33 HN CYS 33 -1.289 -4.162 -4.162 218 HA CYS 33 HA CYS 33 -1.608 -1.917 -1.917 219 1HB CYS 33 HB2 CYS 33 0.870 -2.654 -2.654 220 2HB CYS 33 HB1 CYS 33 0.805 -1.694 -1.694 221 H PHE 34 HN PHE 34 -2.379 0.055 0.055 222 HA PHE 34 HA PHE 34 -1.931 0.885 0.885 223 1HB PHE 34 HB2 PHE 34 -4.161 1.149 1.149 224 2HB PHE 34 HB1 PHE 34 -3.390 2.383 2.383 225 HD1 PHE 34 HD2 PHE 34 -3.866 1.436 1.436 226 HD2 PHE 34 HD1 PHE 34 -3.360 4.601 4.601 227 HE1 PHE 34 HE2 PHE 34 -4.218 3.111 3.111 228 HE2 PHE 34 HE1 PHE 34 -3.711 6.277 6.277 229 HZ PHE 34 HZ PHE 34 -4.141 5.531 5.531 230 H ASP 35 HN ASP 35 -0.509 2.530 2.530 231 HA ASP 35 HA ASP 35 0.652 4.225 4.225 232 1HB ASP 35 HB2 ASP 35 2.015 2.055 2.055 233 2HB ASP 35 HB1 ASP 35 2.482 2.635 2.635 234 H ASP 36 HN ASP 36 0.156 6.181 6.181 235 HA ASP 36 HA ASP 36 0.751 6.473 6.473 236 1HB ASP 36 HB2 ASP 36 -0.704 8.507 8.507 237 2HB ASP 36 HB1 ASP 36 -1.555 7.011 7.011 238 H THR 37 HN THR 37 2.991 6.458 6.458 239 HA THR 37 HA THR 37 3.645 9.160 9.160 240 HB THR 37 HB THR 37 5.954 8.103 8.103 241 HG1 THR 37 HG1 THR 37 4.587 6.132 6.132 242 1HG2 THR 37 HG21 THR 37 4.324 8.316 8.316 243 2HG2 THR 37 HG23 THR 37 3.595 6.781 6.781 244 3HG2 THR 37 HG22 THR 37 5.249 6.820 6.820 245 H VAL 38 HN VAL 38 4.822 6.919 6.919 246 HA VAL 38 HA VAL 38 5.787 9.320 9.320 247 HB VAL 38 HB VAL 38 6.722 6.448 6.448 248 1HG1 VAL 38 HG11 VAL 38 6.985 7.853 7.853 249 2HG1 VAL 38 HG13 VAL 38 7.850 9.055 9.055 250 3HG1 VAL 38 HG12 VAL 38 8.547 7.453 7.453 251 1HG2 VAL 38 HG22 VAL 38 7.633 8.748 8.748 252 2HG2 VAL 38 HG21 VAL 38 7.594 7.026 7.026 253 3HG2 VAL 38 HG23 VAL 38 8.851 7.666 7.666 254 H ARG 39 HN ARG 39 5.213 9.524 9.524 255 HA ARG 39 HA ARG 39 2.859 7.967 7.967 256 1HB ARG 39 HB2 ARG 39 2.809 9.566 9.566 257 2HB ARG 39 HB1 ARG 39 2.754 10.363 10.363 258 1HG ARG 39 HG2 ARG 39 5.275 10.618 10.618 259 2HG ARG 39 HG1 ARG 39 5.147 10.074 10.074 260 1HD ARG 39 HD2 ARG 39 4.432 12.102 12.102 261 2HD ARG 39 HD1 ARG 39 3.202 12.166 12.166 262 HE ARG 39 HE ARG 39 5.831 13.380 13.380 263 1HH1 ARG 39 HH21 ARG 39 3.175 12.069 12.069 264 2HH1 ARG 39 HH22 ARG 39 3.542 12.985 12.985 265 1HH2 ARG 39 HH11 ARG 39 6.292 14.569 14.569 266 2HH2 ARG 39 HH12 ARG 39 5.298 14.391 14.391 267 H GLY 40 HN GLY 40 2.890 7.519 7.519 268 1HA GLY 40 HA2 GLY 40 3.937 6.455 6.455 269 2HA GLY 40 HA1 GLY 40 5.479 6.595 6.595 270 H VAL 41 HN VAL 41 5.035 5.322 5.322 271 HA VAL 41 HA VAL 41 4.921 2.542 2.542 272 HB VAL 41 HB VAL 41 5.432 2.124 2.124 273 1HG1 VAL 41 HG12 VAL 41 7.048 4.112 4.112 274 2HG1 VAL 41 HG11 VAL 41 7.605 3.531 3.531 275 3HG1 VAL 41 HG13 VAL 41 7.354 2.392 2.392 276 1HG2 VAL 41 HG22 VAL 41 5.274 5.151 5.151 277 2HG2 VAL 41 HG21 VAL 41 4.171 4.019 4.019 278 3HG2 VAL 41 HG23 VAL 41 5.859 4.096 4.096 279 HA PRO 42 HA PRO 42 0.752 1.735 1.735 280 1HB PRO 42 HB2 PRO 42 1.077 -0.818 -0.818 281 2HB PRO 42 HB1 PRO 42 0.876 -0.441 -0.441 282 1HG PRO 42 HG2 PRO 42 3.186 -1.474 -1.474 283 2HG PRO 42 HG1 PRO 42 2.987 -1.074 -1.074 284 1HD PRO 42 HD2 PRO 42 4.319 0.466 0.466 285 2HD PRO 42 HD1 PRO 42 4.483 0.602 0.602 286 H TRP 43 HN TRP 43 -0.393 2.455 2.455 287 HA TRP 43 HA TRP 43 0.953 2.644 2.644 288 1HB TRP 43 HB2 TRP 43 -1.892 3.398 3.398 289 2HB TRP 43 HB1 TRP 43 -0.979 3.933 3.933 290 HD1 TRP 43 HD1 TRP 43 1.769 4.615 4.615 291 HE1 TRP 43 HE1 TRP 43 1.917 6.686 6.686 292 HE3 TRP 43 HE3 TRP 43 -3.180 5.279 5.279 293 HZ2 TRP 43 HZ2 TRP 43 0.170 8.398 8.398 294 HZ3 TRP 43 HZ3 TRP 43 -3.910 7.136 7.136 295 HH2 TRP 43 HH2 TRP 43 -2.242 8.694 8.694 296 H CYS 44 HN CYS 44 -1.829 0.839 0.839 297 HA CYS 44 HA CYS 44 -2.261 -0.472 -0.472 298 1HB CYS 44 HB2 CYS 44 -4.131 0.229 0.229 299 2HB CYS 44 HB1 CYS 44 -3.616 -1.107 -1.107 300 H PHE 45 HN PHE 45 -0.753 -2.048 -2.048 301 HA PHE 45 HA PHE 45 -0.293 -4.111 -4.111 302 1HB PHE 45 HB2 PHE 45 2.087 -4.208 -4.208 303 2HB PHE 45 HB1 PHE 45 1.664 -2.583 -2.583 304 HD1 PHE 45 HD2 PHE 45 1.042 -0.874 -0.874 305 HD2 PHE 45 HD1 PHE 45 3.199 -4.519 -4.519 306 HE1 PHE 45 HE2 PHE 45 1.917 0.039 0.039 307 HE2 PHE 45 HE1 PHE 45 4.074 -3.618 -3.618 308 HZ PHE 45 HZ PHE 45 3.437 -1.331 -1.331 309 H TYR 46 HN TYR 46 0.915 -6.083 -6.083 310 HA TYR 46 HA TYR 46 -0.810 -6.776 -6.776 311 1HB TYR 46 HB2 TYR 46 1.188 -8.247 -8.247 312 2HB TYR 46 HB1 TYR 46 0.602 -8.959 -8.959 313 HD1 TYR 46 HD2 TYR 46 -1.869 -9.306 -9.306 314 HD2 TYR 46 HD1 TYR 46 -0.187 -8.156 -8.156 315 HE1 TYR 46 HE2 TYR 46 -3.956 -10.007 -10.007 316 HE2 TYR 46 HE1 TYR 46 -2.275 -8.854 -8.854 317 HH TYR 46 HH TYR 46 -4.683 -9.154 -9.154 318 HA PRO 47 HA PRO 47 2.290 -6.233 -6.233 319 1HB PRO 47 HB2 PRO 47 1.388 -8.182 -8.182 320 2HB PRO 47 HB1 PRO 47 0.693 -6.566 -6.566 321 1HG PRO 47 HG2 PRO 47 -0.510 -9.063 -9.063 322 2HG PRO 47 HG1 PRO 47 -1.174 -7.440 -7.440 323 1HD PRO 47 HD2 PRO 47 0.140 -9.241 -9.241 324 2HD PRO 47 HD1 PRO 47 -1.009 -7.915 -7.915 325 H ASN 48 HN ASN 48 4.111 -7.276 -7.276 326 HA ASN 48 HA ASN 48 4.834 -9.944 -9.944 327 1HB ASN 48 HB2 ASN 48 6.493 -7.419 -7.419 328 2HB ASN 48 HB1 ASN 48 7.231 -9.018 -9.018 329 1HD2 ASN 48 HD22 ASN 48 5.805 -7.373 -7.373 330 2HD2 ASN 48 HD21 ASN 48 6.090 -6.503 -6.503 331 H THR 49 HN THR 49 4.145 -10.763 -10.763 332 HA THR 49 HA THR 49 5.603 -9.781 -9.781 333 HB THR 49 HB THR 49 4.253 -11.584 -11.584 334 HG1 THR 49 HG1 THR 49 2.389 -11.986 -11.986 335 1HG2 THR 49 HG22 THR 49 3.568 -9.128 -9.128 336 2HG2 THR 49 HG21 THR 49 2.500 -9.756 -9.756 337 3HG2 THR 49 HG23 THR 49 2.288 -10.267 -10.267 338 H ILE 50 HN ILE 50 7.563 -10.626 -10.626 339 HA ILE 50 HA ILE 50 8.409 -13.145 -13.145 340 HB ILE 50 HB ILE 50 9.994 -11.210 -11.210 341 1HG1 ILE 50 HG12 ILE 50 9.927 -11.465 -11.465 342 2HG1 ILE 50 HG11 ILE 50 9.069 -10.214 -10.214 343 1HG2 ILE 50 HG23 ILE 50 10.760 -13.517 -13.517 344 2HG2 ILE 50 HG22 ILE 50 11.918 -12.347 -12.347 345 3HG2 ILE 50 HG21 ILE 50 11.026 -13.394 -13.394 346 1HD1 ILE 50 HD13 ILE 50 11.382 -9.716 -9.716 347 2HD1 ILE 50 HD12 ILE 50 12.042 -10.626 -10.626 348 3HD1 ILE 50 HD11 ILE 50 11.098 -9.164 -9.164 349 H ASP 51 HN ASP 51 9.007 -14.989 -14.989 350 HA ASP 51 HA ASP 51 8.885 -14.867 -14.867 351 1HB ASP 51 HB2 ASP 51 6.490 -15.162 -15.162 352 2HB ASP 51 HB1 ASP 51 7.019 -16.772 -16.772 353 H VAL 52 HN VAL 52 9.228 -17.241 -17.241 354 HA VAL 52 HA VAL 52 10.808 -18.830 -18.830 355 HB VAL 52 HB VAL 52 12.571 -19.119 -19.119 356 1HG1 VAL 52 HG11 VAL 52 11.995 -16.320 -16.320 357 2HG1 VAL 52 HG13 VAL 52 13.533 -16.806 -16.806 358 3HG1 VAL 52 HG12 VAL 52 12.983 -17.550 -17.550 359 1HG2 VAL 52 HG21 VAL 52 10.750 -17.202 -17.202 360 2HG2 VAL 52 HG23 VAL 52 11.660 -18.568 -18.568 361 3HG2 VAL 52 HG22 VAL 52 12.489 -17.059 -17.059 362 HA PRO 53 HA PRO 53 8.189 -21.649 -21.649 363 1HB PRO 53 HB2 PRO 53 7.021 -22.848 -22.848 364 2HB PRO 53 HB1 PRO 53 6.360 -21.442 -21.442 365 1HG PRO 53 HG2 PRO 53 7.404 -21.561 -21.561 366 2HG PRO 53 HG1 PRO 53 6.748 -20.158 -20.158 367 1HD PRO 53 HD2 PRO 53 9.572 -20.943 -20.943 368 2HD PRO 53 HD1 PRO 53 8.883 -19.343 -19.343 369 HA PRO 54 HA PRO 54 10.649 -25.324 -25.324 370 1HB PRO 54 HB2 PRO 54 9.001 -27.168 -27.168 371 2HB PRO 54 HB1 PRO 54 10.078 -26.045 -26.045 372 1HG PRO 54 HG2 PRO 54 7.221 -26.085 -26.085 373 2HG PRO 54 HG1 PRO 54 8.302 -24.959 -24.959 374 1HD PRO 54 HD2 PRO 54 6.841 -24.603 -24.603 375 2HD PRO 54 HD1 PRO 54 7.471 -23.378 -23.378 376 H GLU 55 HN GLU 55 7.304 -25.275 -25.275 377 HA GLU 55 HA GLU 55 8.018 -27.325 -27.325 378 1HB GLU 55 HB2 GLU 55 5.563 -27.144 -27.144 379 2HB GLU 55 HB1 GLU 55 5.502 -27.945 -27.945 380 1HG GLU 55 HG2 GLU 55 7.659 -29.179 -29.179 381 2HG GLU 55 HG1 GLU 55 7.038 -28.717 -28.717 382 H GLU 56 HN GLU 56 6.112 -27.237 -27.237 383 HA GLU 56 HA GLU 56 5.548 -24.369 -24.369 384 1HB GLU 56 HB2 GLU 56 6.326 -26.487 -26.487 385 2HB GLU 56 HB1 GLU 56 5.959 -24.797 -24.797 386 1HG GLU 56 HG2 GLU 56 7.836 -24.252 -24.252 387 2HG GLU 56 HG1 GLU 56 8.322 -25.933 -25.933 388 H GLU 57 HN GLU 57 3.570 -23.960 -23.960 389 HA GLU 57 HA GLU 57 1.795 -26.268 -26.268 390 1HB GLU 57 HB2 GLU 57 1.597 -25.063 -25.063 391 2HB GLU 57 HB1 GLU 57 0.624 -23.931 -23.931 392 1HG GLU 57 HG2 GLU 57 -1.001 -25.508 -25.508 393 2HG GLU 57 HG1 GLU 57 0.126 -26.860 -26.860 394 H SER 58 HN SER 58 0.960 -26.001 -26.001 395 HA SER 58 HA SER 58 0.870 -23.277 -23.277 396 1HB SER 58 HB2 SER 58 0.623 -26.026 -26.026 397 2HB SER 58 HB1 SER 58 0.389 -24.531 -24.531 398 HG SER 58 HG SER 58 2.542 -23.956 -23.956 399 H GLU 59 HN GLU 59 -1.097 -22.466 -22.466 400 HA GLU 59 HA GLU 59 -3.518 -23.619 -23.619 401 1HB GLU 59 HB2 GLU 59 -2.934 -20.914 -20.914 402 2HB GLU 59 HB1 GLU 59 -4.538 -21.412 -21.412 403 1HG GLU 59 HG2 GLU 59 -3.575 -21.854 -21.854 404 2HG GLU 59 HG1 GLU 59 -2.041 -21.188 -21.188 405 H PHE 60 HN PHE 60 -5.439 -23.951 -23.951 406 HA PHE 60 HA PHE 60 -4.929 -24.012 -24.012 407 1HB PHE 60 HB2 PHE 60 -6.108 -26.221 -26.221 408 2HB PHE 60 HB1 PHE 60 -4.571 -26.289 -26.289 409 HD1 PHE 60 HD1 PHE 60 -8.250 -26.262 -26.262 410 HD2 PHE 60 HD2 PHE 60 -4.478 -26.656 -26.656 411 HE1 PHE 60 HE1 PHE 60 -9.418 -27.098 -27.098 412 HE2 PHE 60 HE2 PHE 60 -5.647 -27.491 -27.491 413 HZ PHE 60 HZ PHE 60 -8.117 -27.712 -27.712 Start of MODEL 5 1 1H GLU 1 HT2 GLU 1 13.548 -7.704 -7.704 2 2H GLU 1 HT1 GLU 1 14.799 -8.660 -8.660 3 3H GLU 1 HT3 GLU 1 14.250 -7.302 -7.302 4 HA GLU 1 HA GLU 1 13.400 -9.293 -9.293 5 1HB GLU 1 HB2 GLU 1 12.624 -9.781 -9.781 6 2HB GLU 1 HB1 GLU 1 11.586 -10.415 -10.415 7 1HG GLU 1 HG2 GLU 1 13.075 -12.182 -12.182 8 2HG GLU 1 HG1 GLU 1 13.874 -11.268 -11.268 9 H ALA 2 HN ALA 2 11.190 -9.296 -9.296 10 HA ALA 2 HA ALA 2 9.262 -7.399 -7.399 11 1HB ALA 2 HB1 ALA 2 10.827 -5.894 -5.894 12 2HB ALA 2 HB3 ALA 2 10.621 -6.848 -6.848 13 3HB ALA 2 HB2 ALA 2 9.258 -5.950 -5.950 14 H GLN 3 HN GLN 3 8.007 -9.408 -9.408 15 HA GLN 3 HA GLN 3 7.462 -10.576 -10.576 16 1HB GLN 3 HB2 GLN 3 6.712 -11.290 -11.290 17 2HB GLN 3 HB1 GLN 3 5.927 -12.063 -12.063 18 1HG GLN 3 HG2 GLN 3 7.970 -12.989 -12.989 19 2HG GLN 3 HG1 GLN 3 8.934 -11.934 -11.934 20 1HE2 GLN 3 HE22 GLN 3 8.177 -13.863 -13.863 21 2HE2 GLN 3 HE21 GLN 3 8.357 -12.251 -12.251 22 H THR 4 HN THR 4 6.141 -9.157 -9.157 23 HA THR 4 HA THR 4 3.397 -8.914 -8.914 24 HB THR 4 HB THR 4 3.682 -6.274 -6.274 25 HG1 THR 4 HG1 THR 4 6.038 -6.735 -6.735 26 1HG2 THR 4 HG21 THR 4 2.922 -7.808 -7.808 27 2HG2 THR 4 HG23 THR 4 4.471 -7.290 -7.290 28 3HG2 THR 4 HG22 THR 4 3.253 -6.090 -6.090 29 H GLU 5 HN GLU 5 2.475 -6.939 -6.939 30 HA GLU 5 HA GLU 5 3.114 -8.068 -8.068 31 1HB GLU 5 HB2 GLU 5 0.894 -6.399 -6.399 32 2HB GLU 5 HB1 GLU 5 1.177 -6.381 -6.381 33 1HG GLU 5 HG2 GLU 5 0.632 -8.622 -8.622 34 2HG GLU 5 HG1 GLU 5 1.068 -9.024 -9.024 35 H THR 6 HN THR 6 3.718 -6.683 -6.683 36 HA THR 6 HA THR 6 4.476 -3.924 -3.924 37 HB THR 6 HB THR 6 6.578 -5.681 -5.681 38 HG1 THR 6 HG1 THR 6 7.344 -5.701 -5.701 39 1HG2 THR 6 HG23 THR 6 6.542 -3.067 -3.067 40 2HG2 THR 6 HG22 THR 6 6.980 -3.404 -3.404 41 3HG2 THR 6 HG21 THR 6 8.022 -3.953 -3.953 42 H CYS 7 HN CYS 7 3.919 -2.674 -2.674 43 HA CYS 7 HA CYS 7 3.599 -4.037 -4.037 44 1HB CYS 7 HB2 CYS 7 2.478 -1.415 -1.415 45 2HB CYS 7 HB1 CYS 7 2.246 -2.015 -2.015 46 H THR 8 HN THR 8 6.254 -3.484 -3.484 47 HA THR 8 HA THR 8 6.891 -1.037 -1.037 48 HB THR 8 HB THR 8 7.744 -0.968 -0.968 49 HG1 THR 8 HG1 THR 8 9.743 -0.405 -0.405 50 1HG2 THR 8 HG21 THR 8 7.864 -3.617 -3.617 51 2HG2 THR 8 HG23 THR 8 9.528 -3.313 -3.313 52 3HG2 THR 8 HG22 THR 8 8.938 -2.675 -2.675 53 H VAL 9 HN VAL 9 7.295 -1.616 -1.616 54 HA VAL 9 HA VAL 9 9.219 -3.823 -3.823 55 HB VAL 9 HB VAL 9 6.740 -3.339 -3.339 56 1HG1 VAL 9 HG13 VAL 9 8.939 -5.424 -5.424 57 2HG1 VAL 9 HG12 VAL 9 7.423 -5.594 -5.594 58 3HG1 VAL 9 HG11 VAL 9 8.528 -4.275 -4.275 59 1HG2 VAL 9 HG23 VAL 9 6.390 -4.297 -4.297 60 2HG2 VAL 9 HG22 VAL 9 5.775 -5.264 -5.264 61 3HG2 VAL 9 HG21 VAL 9 7.293 -5.705 -5.705 62 H ALA 10 HN ALA 10 10.342 -3.615 -3.615 63 HA ALA 10 HA ALA 10 10.979 -0.840 -0.840 64 1HB ALA 10 HB3 ALA 10 12.586 -2.857 -2.857 65 2HB ALA 10 HB2 ALA 10 11.902 -3.190 -3.190 66 3HB ALA 10 HB1 ALA 10 12.738 -1.666 -1.666 67 HA PRO 11 HA PRO 11 7.513 -0.130 -0.130 68 1HB PRO 11 HB2 PRO 11 9.380 1.731 1.731 69 2HB PRO 11 HB1 PRO 11 7.809 2.050 2.050 70 1HG PRO 11 HG2 PRO 11 10.388 2.537 2.537 71 2HG PRO 11 HG1 PRO 11 8.815 2.797 2.797 72 1HD PRO 11 HD2 PRO 11 10.720 0.899 0.899 73 2HD PRO 11 HD1 PRO 11 9.020 0.927 0.927 74 H ARG 12 HN ARG 12 10.861 -0.836 -0.836 75 HA ARG 12 HA ARG 12 10.380 -1.233 -1.233 76 1HB ARG 12 HB2 ARG 12 12.536 -1.887 -1.887 77 2HB ARG 12 HB1 ARG 12 12.483 -2.853 -2.853 78 1HG ARG 12 HG2 ARG 12 12.178 -0.481 -0.481 79 2HG ARG 12 HG1 ARG 12 12.969 0.083 0.083 80 1HD ARG 12 HD2 ARG 12 14.964 -0.922 -0.922 81 2HD ARG 12 HD1 ARG 12 14.187 -2.277 -2.277 82 HE ARG 12 HE ARG 12 14.015 0.324 0.324 83 1HH1 ARG 12 HH11 ARG 12 15.579 -2.776 -2.776 84 2HH1 ARG 12 HH12 ARG 12 16.281 -2.733 -2.733 85 1HH2 ARG 12 HH21 ARG 12 14.945 0.360 0.360 86 2HH2 ARG 12 HH22 ARG 12 15.922 -0.965 -0.965 87 H GLU 13 HN GLU 13 11.006 -3.746 -3.746 88 HA GLU 13 HA GLU 13 9.591 -5.690 -5.690 89 1HB GLU 13 HB2 GLU 13 11.081 -5.994 -5.994 90 2HB GLU 13 HB1 GLU 13 10.391 -7.324 -7.324 91 1HG GLU 13 HG2 GLU 13 11.822 -6.151 -6.151 92 2HG GLU 13 HG1 GLU 13 12.797 -5.659 -5.659 93 H ARG 14 HN ARG 14 7.873 -3.682 -3.682 94 HA ARG 14 HA ARG 14 6.568 -4.699 -4.699 95 1HB ARG 14 HB2 ARG 14 6.371 -2.288 -2.288 96 2HB ARG 14 HB1 ARG 14 4.867 -2.814 -2.814 97 1HG ARG 14 HG2 ARG 14 6.309 -2.991 -2.991 98 2HG ARG 14 HG1 ARG 14 7.432 -1.939 -1.939 99 1HD ARG 14 HD2 ARG 14 5.521 -0.358 -0.358 100 2HD ARG 14 HD1 ARG 14 4.522 -1.368 -1.368 101 HE ARG 14 HE ARG 14 6.652 -0.853 -0.853 102 1HH1 ARG 14 HH11 ARG 14 4.641 1.179 1.179 103 2HH1 ARG 14 HH12 ARG 14 4.829 2.577 2.577 104 1HH2 ARG 14 HH21 ARG 14 6.884 0.993 0.993 105 2HH2 ARG 14 HH22 ARG 14 6.092 2.470 2.470 106 H GLN 15 HN GLN 15 4.554 -5.765 -5.765 107 HA GLN 15 HA GLN 15 3.754 -6.958 -6.958 108 1HB GLN 15 HB2 GLN 15 3.667 -7.741 -7.741 109 2HB GLN 15 HB1 GLN 15 2.095 -7.951 -7.951 110 1HG GLN 15 HG2 GLN 15 3.208 -9.994 -9.994 111 2HG GLN 15 HG1 GLN 15 3.403 -9.093 -9.093 112 1HE2 GLN 15 HE22 GLN 15 6.908 -9.192 -9.192 113 2HE2 GLN 15 HE21 GLN 15 5.520 -9.021 -9.021 114 H ASN 16 HN ASN 16 2.364 -5.665 -5.665 115 HA ASN 16 HA ASN 16 0.696 -3.684 -3.684 116 1HB ASN 16 HB2 ASN 16 1.466 -4.328 -4.328 117 2HB ASN 16 HB1 ASN 16 -0.193 -4.923 -4.923 118 1HD2 ASN 16 HD22 ASN 16 -0.117 -1.246 -1.246 119 2HD2 ASN 16 HD21 ASN 16 0.703 -2.599 -2.599 120 H CYS 17 HN CYS 17 -1.153 -3.937 -3.937 121 HA CYS 17 HA CYS 17 -2.468 -6.554 -6.554 122 1HB CYS 17 HB2 CYS 17 -1.951 -4.846 -4.846 123 2HB CYS 17 HB1 CYS 17 -3.518 -4.200 -4.200 124 H GLY 18 HN GLY 18 -2.739 -3.563 -3.563 125 1HA GLY 18 HA2 GLY 18 -4.918 -4.337 -4.337 126 2HA GLY 18 HA1 GLY 18 -5.541 -3.309 -3.309 127 H PHE 19 HN PHE 19 -5.880 -2.156 -2.156 128 HA PHE 19 HA PHE 19 -3.629 -0.768 -0.768 129 1HB PHE 19 HB2 PHE 19 -5.420 0.788 0.788 130 2HB PHE 19 HB1 PHE 19 -5.513 -0.909 -0.909 131 HD1 PHE 19 HD2 PHE 19 -7.154 -2.424 -2.424 132 HD2 PHE 19 HD1 PHE 19 -7.205 1.848 1.848 133 HE1 PHE 19 HE2 PHE 19 -9.476 -2.542 -2.542 134 HE2 PHE 19 HE1 PHE 19 -9.535 1.729 1.729 135 HZ PHE 19 HZ PHE 19 -10.667 -0.465 -0.465 136 HA PRO 20 HA PRO 20 -3.183 2.602 2.602 137 1HB PRO 20 HB2 PRO 20 -2.569 4.676 4.676 138 2HB PRO 20 HB1 PRO 20 -1.433 3.469 3.469 139 1HG PRO 20 HG2 PRO 20 -2.398 3.789 3.789 140 2HG PRO 20 HG1 PRO 20 -1.238 2.602 2.602 141 1HD PRO 20 HD2 PRO 20 -4.072 2.245 2.245 142 2HD PRO 20 HD1 PRO 20 -2.820 1.019 1.019 143 H GLY 21 HN GLY 21 -5.386 3.243 3.243 144 1HA GLY 21 HA2 GLY 21 -6.505 5.665 5.665 145 2HA GLY 21 HA1 GLY 21 -7.343 4.478 4.478 146 H VAL 22 HN VAL 22 -6.565 2.592 2.592 147 HA VAL 22 HA VAL 22 -9.165 2.553 2.553 148 HB VAL 22 HB VAL 22 -8.110 1.142 1.142 149 1HG1 VAL 22 HG13 VAL 22 -8.825 0.254 0.254 150 2HG1 VAL 22 HG12 VAL 22 -7.147 0.412 0.412 151 3HG1 VAL 22 HG11 VAL 22 -7.563 -0.690 -0.690 152 1HG2 VAL 22 HG23 VAL 22 -5.620 2.074 2.074 153 2HG2 VAL 22 HG22 VAL 22 -5.960 2.086 2.086 154 3HG2 VAL 22 HG21 VAL 22 -5.642 0.561 0.561 155 H THR 23 HN THR 23 -9.551 2.888 2.888 156 HA THR 23 HA THR 23 -8.098 5.295 5.295 157 HB THR 23 HB THR 23 -10.259 6.100 6.100 158 HG1 THR 23 HG1 THR 23 -12.116 4.943 4.943 159 1HG2 THR 23 HG21 THR 23 -9.397 6.636 6.636 160 2HG2 THR 23 HG23 THR 23 -10.635 5.512 5.512 161 3HG2 THR 23 HG22 THR 23 -11.099 6.958 6.958 162 HA PRO 24 HA PRO 24 -7.149 3.582 3.582 163 1HB PRO 24 HB2 PRO 24 -9.179 5.229 5.229 164 2HB PRO 24 HB1 PRO 24 -7.419 5.247 5.247 165 1HG PRO 24 HG2 PRO 24 -9.079 7.021 7.021 166 2HG PRO 24 HG1 PRO 24 -7.331 7.092 7.092 167 1HD PRO 24 HD2 PRO 24 -8.514 6.550 6.550 168 2HD PRO 24 HD1 PRO 24 -6.864 6.060 6.060 169 H SER 25 HN SER 25 -10.624 4.020 4.020 170 HA SER 25 HA SER 25 -11.525 2.057 2.057 171 1HB SER 25 HB2 SER 25 -13.640 2.189 2.189 172 2HB SER 25 HB1 SER 25 -13.120 3.683 3.683 173 HG SER 25 HG SER 25 -11.855 3.445 3.445 174 H GLN 26 HN GLN 26 -11.051 2.013 2.013 175 HA GLN 26 HA GLN 26 -11.806 -0.707 -0.707 176 1HB GLN 26 HB2 GLN 26 -10.264 1.289 1.289 177 2HB GLN 26 HB1 GLN 26 -10.280 -0.405 -0.405 178 1HG GLN 26 HG2 GLN 26 -12.805 -0.330 -0.330 179 2HG GLN 26 HG1 GLN 26 -12.670 1.414 1.414 180 1HE2 GLN 26 HE22 GLN 26 -12.714 0.103 0.103 181 2HE2 GLN 26 HE21 GLN 26 -13.387 -0.693 -0.693 182 H CYS 27 HN CYS 27 -8.597 0.851 0.851 183 HA CYS 27 HA CYS 27 -7.052 -1.499 -1.499 184 1HB CYS 27 HB2 CYS 27 -6.270 0.953 0.953 185 2HB CYS 27 HB1 CYS 27 -6.377 0.773 0.773 186 H ALA 28 HN ALA 28 -8.896 -0.180 -0.180 187 HA ALA 28 HA ALA 28 -7.823 -2.274 -2.274 188 1HB ALA 28 HB2 ALA 28 -8.062 0.076 0.076 189 2HB ALA 28 HB1 ALA 28 -9.805 -0.059 -0.059 190 3HB ALA 28 HB3 ALA 28 -8.991 -1.079 -1.079 191 H ASN 29 HN ASN 29 -10.264 -2.036 -2.036 192 HA ASN 29 HA ASN 29 -12.462 -3.195 -3.195 193 1HB ASN 29 HB2 ASN 29 -12.564 -1.967 -1.967 194 2HB ASN 29 HB1 ASN 29 -11.899 -3.422 -3.422 195 1HD2 ASN 29 HD22 ASN 29 -15.795 -3.369 -3.369 196 2HD2 ASN 29 HD21 ASN 29 -14.765 -2.069 -2.069 197 H LYS 30 HN LYS 30 -9.590 -4.537 -4.537 198 HA LYS 30 HA LYS 30 -10.675 -7.252 -7.252 199 1HB LYS 30 HB2 LYS 30 -8.746 -7.955 -7.955 200 2HB LYS 30 HB1 LYS 30 -10.101 -7.118 -7.118 201 1HG LYS 30 HG2 LYS 30 -7.878 -5.411 -5.411 202 2HG LYS 30 HG1 LYS 30 -7.540 -6.391 -6.391 203 1HD LYS 30 HD2 LYS 30 -9.761 -5.487 -5.487 204 2HD LYS 30 HD1 LYS 30 -9.676 -4.288 -4.288 205 1HE LYS 30 HE2 LYS 30 -7.832 -3.232 -3.232 206 2HE LYS 30 HE1 LYS 30 -7.245 -4.702 -4.702 207 1HZ LYS 30 HZ2 LYS 30 -9.798 -3.844 -3.844 208 2HZ LYS 30 HZ1 LYS 30 -8.562 -2.711 -2.711 209 3HZ LYS 30 HZ3 LYS 30 -8.408 -4.292 -4.292 210 H GLY 31 HN GLY 31 -7.865 -5.110 -5.110 211 1HA GLY 31 HA2 GLY 31 -6.928 -5.441 -5.441 212 2HA GLY 31 HA1 GLY 31 -6.826 -7.147 -7.147 213 H CYS 32 HN CYS 32 -5.912 -4.058 -4.058 214 HA CYS 32 HA CYS 32 -3.234 -5.270 -5.270 215 1HB CYS 32 HB2 CYS 32 -4.630 -3.250 -3.250 216 2HB CYS 32 HB1 CYS 32 -3.120 -4.091 -4.091 217 H CYS 33 HN CYS 33 -1.465 -3.980 -3.980 218 HA CYS 33 HA CYS 33 -1.991 -1.734 -1.734 219 1HB CYS 33 HB2 CYS 33 0.648 -2.515 -2.515 220 2HB CYS 33 HB1 CYS 33 0.418 -1.517 -1.517 221 H PHE 34 HN PHE 34 -2.406 0.341 0.341 222 HA PHE 34 HA PHE 34 -1.834 1.074 1.074 223 1HB PHE 34 HB2 PHE 34 -4.080 1.538 1.538 224 2HB PHE 34 HB1 PHE 34 -3.269 2.681 2.681 225 HD1 PHE 34 HD1 PHE 34 -2.038 4.648 4.648 226 HD2 PHE 34 HD2 PHE 34 -4.583 2.106 2.106 227 HE1 PHE 34 HE1 PHE 34 -2.143 6.386 6.386 228 HE2 PHE 34 HE2 PHE 34 -4.689 3.845 3.845 229 HZ PHE 34 HZ PHE 34 -3.470 5.983 5.983 230 H ASP 35 HN ASP 35 -0.324 2.683 2.683 231 HA ASP 35 HA ASP 35 0.910 4.264 4.264 232 1HB ASP 35 HB2 ASP 35 2.161 2.088 2.088 233 2HB ASP 35 HB1 ASP 35 2.586 2.422 2.422 234 H ASP 36 HN ASP 36 0.767 6.279 6.279 235 HA ASP 36 HA ASP 36 1.417 6.532 6.532 236 1HB ASP 36 HB2 ASP 36 0.119 8.715 8.715 237 2HB ASP 36 HB1 ASP 36 -0.843 7.247 7.247 238 H THR 37 HN THR 37 3.734 6.554 6.554 239 HA THR 37 HA THR 37 4.447 9.210 9.210 240 HB THR 37 HB THR 37 6.672 7.915 7.915 241 HG1 THR 37 HG1 THR 37 5.492 6.065 6.065 242 1HG2 THR 37 HG21 THR 37 4.053 7.740 7.740 243 2HG2 THR 37 HG23 THR 37 5.466 6.902 6.902 244 3HG2 THR 37 HG22 THR 37 5.503 8.651 8.651 245 H VAL 38 HN VAL 38 5.002 6.854 6.854 246 HA VAL 38 HA VAL 38 6.714 8.879 8.879 247 HB VAL 38 HB VAL 38 6.906 5.866 5.866 248 1HG1 VAL 38 HG11 VAL 38 7.601 7.172 7.172 249 2HG1 VAL 38 HG13 VAL 38 8.691 8.119 8.119 250 3HG1 VAL 38 HG12 VAL 38 8.983 6.395 6.395 251 1HG2 VAL 38 HG23 VAL 38 8.331 7.851 7.851 252 2HG2 VAL 38 HG22 VAL 38 7.789 6.218 6.218 253 3HG2 VAL 38 HG21 VAL 38 9.218 6.460 6.460 254 H ARG 39 HN ARG 39 6.469 8.983 8.983 255 HA ARG 39 HA ARG 39 3.775 8.129 8.129 256 1HB ARG 39 HB2 ARG 39 5.650 10.322 10.322 257 2HB ARG 39 HB1 ARG 39 4.605 9.683 9.683 258 1HG ARG 39 HG2 ARG 39 2.649 10.001 10.001 259 2HG ARG 39 HG1 ARG 39 3.743 10.836 10.836 260 1HD ARG 39 HD2 ARG 39 3.634 11.709 11.709 261 2HD ARG 39 HD1 ARG 39 2.347 12.212 12.212 262 HE ARG 39 HE ARG 39 5.116 13.101 13.101 263 1HH1 ARG 39 HH21 ARG 39 2.119 12.715 12.715 264 2HH1 ARG 39 HH22 ARG 39 2.481 13.951 13.951 265 1HH2 ARG 39 HH11 ARG 39 5.569 14.718 14.718 266 2HH2 ARG 39 HH12 ARG 39 4.426 15.080 15.080 267 H GLY 40 HN GLY 40 3.819 7.711 7.711 268 1HA GLY 40 HA2 GLY 40 4.450 6.253 6.253 269 2HA GLY 40 HA1 GLY 40 6.109 6.493 6.493 270 H VAL 41 HN VAL 41 4.087 5.421 5.421 271 HA VAL 41 HA VAL 41 4.764 2.588 2.588 272 HB VAL 41 HB VAL 41 5.386 2.384 2.384 273 1HG1 VAL 41 HG12 VAL 41 7.107 2.684 2.684 274 2HG1 VAL 41 HG11 VAL 41 6.996 4.432 4.432 275 3HG1 VAL 41 HG13 VAL 41 7.598 3.422 3.422 276 1HG2 VAL 41 HG22 VAL 41 4.091 4.557 4.557 277 2HG2 VAL 41 HG21 VAL 41 5.629 4.293 4.293 278 3HG2 VAL 41 HG23 VAL 41 5.540 5.400 5.400 279 HA PRO 42 HA PRO 42 0.690 1.846 1.846 280 1HB PRO 42 HB2 PRO 42 1.117 -0.697 -0.697 281 2HB PRO 42 HB1 PRO 42 0.807 -0.333 -0.333 282 1HG PRO 42 HG2 PRO 42 3.200 -1.347 -1.347 283 2HG PRO 42 HG1 PRO 42 2.905 -0.919 -0.919 284 1HD PRO 42 HD2 PRO 42 4.293 0.629 0.629 285 2HD PRO 42 HD1 PRO 42 4.435 0.744 0.744 286 H TRP 43 HN TRP 43 -0.229 2.716 2.716 287 HA TRP 43 HA TRP 43 1.275 2.754 2.754 288 1HB TRP 43 HB2 TRP 43 -1.548 3.731 3.731 289 2HB TRP 43 HB1 TRP 43 -0.496 4.185 4.185 290 HD1 TRP 43 HD1 TRP 43 2.176 4.729 4.729 291 HE1 TRP 43 HE1 TRP 43 2.359 6.780 6.780 292 HE3 TRP 43 HE3 TRP 43 -2.776 5.639 5.639 293 HZ2 TRP 43 HZ2 TRP 43 0.634 8.570 8.570 294 HZ3 TRP 43 HZ3 TRP 43 -3.477 7.522 7.522 295 HH2 TRP 43 HH2 TRP 43 -1.780 8.986 8.986 296 H CYS 44 HN CYS 44 -1.528 1.069 1.069 297 HA CYS 44 HA CYS 44 -2.147 -0.184 -0.184 298 1HB CYS 44 HB2 CYS 44 -3.869 0.557 0.557 299 2HB CYS 44 HB1 CYS 44 -3.343 -0.840 -0.840 300 H PHE 45 HN PHE 45 -0.675 -1.797 -1.797 301 HA PHE 45 HA PHE 45 -0.164 -3.889 -3.889 302 1HB PHE 45 HB2 PHE 45 2.198 -3.994 -3.994 303 2HB PHE 45 HB1 PHE 45 1.801 -2.369 -2.369 304 HD1 PHE 45 HD1 PHE 45 0.949 -0.754 -0.754 305 HD2 PHE 45 HD2 PHE 45 3.463 -4.195 -4.195 306 HE1 PHE 45 HE1 PHE 45 1.777 0.164 0.164 307 HE2 PHE 45 HE2 PHE 45 4.297 -3.275 -3.275 308 HZ PHE 45 HZ PHE 45 3.451 -1.094 -1.094 309 H TYR 46 HN TYR 46 1.144 -5.782 -5.782 310 HA TYR 46 HA TYR 46 -0.697 -6.570 -6.570 311 1HB TYR 46 HB2 TYR 46 1.416 -7.892 -7.892 312 2HB TYR 46 HB1 TYR 46 1.039 -8.603 -8.603 313 HD1 TYR 46 HD1 TYR 46 -1.305 -9.325 -9.325 314 HD2 TYR 46 HD2 TYR 46 -0.115 -8.032 -8.032 315 HE1 TYR 46 HE1 TYR 46 -3.346 -10.354 -10.354 316 HE2 TYR 46 HE2 TYR 46 -2.156 -9.060 -9.060 317 HH TYR 46 HH TYR 46 -4.523 -10.731 -10.731 318 HA PRO 47 HA PRO 47 2.135 -5.852 -5.852 319 1HB PRO 47 HB2 PRO 47 1.242 -7.871 -7.871 320 2HB PRO 47 HB1 PRO 47 0.434 -6.319 -6.319 321 1HG PRO 47 HG2 PRO 47 -0.496 -8.905 -8.905 322 2HG PRO 47 HG1 PRO 47 -1.280 -7.343 -7.343 323 1HD PRO 47 HD2 PRO 47 0.334 -8.998 -8.998 324 2HD PRO 47 HD1 PRO 47 -0.899 -7.770 -7.770 325 H ASN 48 HN ASN 48 3.732 -6.981 -6.981 326 HA ASN 48 HA ASN 48 4.851 -9.455 -9.455 327 1HB ASN 48 HB2 ASN 48 6.194 -6.824 -6.824 328 2HB ASN 48 HB1 ASN 48 7.119 -8.306 -8.306 329 1HD2 ASN 48 HD22 ASN 48 7.806 -8.394 -8.394 330 2HD2 ASN 48 HD21 ASN 48 8.399 -8.497 -8.497 331 H THR 49 HN THR 49 3.647 -10.433 -10.433 332 HA THR 49 HA THR 49 4.289 -9.686 -9.686 333 HB THR 49 HB THR 49 3.133 -11.818 -11.818 334 HG1 THR 49 HG1 THR 49 2.138 -12.577 -12.577 335 1HG2 THR 49 HG21 THR 49 2.026 -9.544 -9.544 336 2HG2 THR 49 HG23 THR 49 1.474 -10.576 -10.576 337 3HG2 THR 49 HG22 THR 49 1.044 -10.966 -10.966 338 H ILE 50 HN ILE 50 5.699 -10.694 -10.694 339 HA ILE 50 HA ILE 50 7.626 -12.611 -12.611 340 HB ILE 50 HB ILE 50 8.185 -10.534 -10.534 341 1HG1 ILE 50 HG12 ILE 50 9.206 -10.503 -10.503 342 2HG1 ILE 50 HG11 ILE 50 7.696 -9.705 -9.705 343 1HG2 ILE 50 HG21 ILE 50 9.770 -12.681 -12.681 344 2HG2 ILE 50 HG23 ILE 50 10.590 -11.197 -11.197 345 3HG2 ILE 50 HG22 ILE 50 9.781 -12.192 -12.192 346 1HD1 ILE 50 HD12 ILE 50 8.953 -8.451 -8.451 347 2HD1 ILE 50 HD11 ILE 50 10.444 -9.147 -9.147 348 3HD1 ILE 50 HD13 ILE 50 9.480 -8.068 -8.068 349 H ASP 51 HN ASP 51 8.255 -14.373 -14.373 350 HA ASP 51 HA ASP 51 7.210 -14.470 -14.470 351 1HB ASP 51 HB2 ASP 51 5.481 -15.314 -15.314 352 2HB ASP 51 HB1 ASP 51 6.423 -16.793 -16.793 353 H VAL 52 HN VAL 52 7.549 -17.164 -17.164 354 HA VAL 52 HA VAL 52 10.445 -17.406 -17.406 355 HB VAL 52 HB VAL 52 10.084 -19.409 -19.409 356 1HG1 VAL 52 HG12 VAL 52 10.227 -16.948 -16.948 357 2HG1 VAL 52 HG11 VAL 52 8.490 -17.085 -17.085 358 3HG1 VAL 52 HG13 VAL 52 9.606 -18.147 -18.147 359 1HG2 VAL 52 HG21 VAL 52 7.831 -19.970 -19.970 360 2HG2 VAL 52 HG23 VAL 52 7.837 -19.895 -19.895 361 3HG2 VAL 52 HG22 VAL 52 7.172 -18.557 -18.557 362 HA PRO 53 HA PRO 53 10.343 -20.489 -20.489 363 1HB PRO 53 HB2 PRO 53 12.819 -21.620 -21.620 364 2HB PRO 53 HB1 PRO 53 12.559 -20.084 -20.084 365 1HG PRO 53 HG2 PRO 53 13.782 -20.517 -20.517 366 2HG PRO 53 HG1 PRO 53 13.521 -18.983 -18.983 367 1HD PRO 53 HD2 PRO 53 11.948 -20.201 -20.201 368 2HD PRO 53 HD1 PRO 53 12.052 -18.503 -18.503 369 HA PRO 54 HA PRO 54 9.166 -24.179 -24.179 370 1HB PRO 54 HB2 PRO 54 7.009 -24.783 -24.783 371 2HB PRO 54 HB1 PRO 54 6.939 -23.744 -23.744 372 1HG PRO 54 HG2 PRO 54 6.581 -22.998 -22.998 373 2HG PRO 54 HG1 PRO 54 6.535 -21.960 -21.960 374 1HD PRO 54 HD2 PRO 54 8.732 -22.380 -22.380 375 2HD PRO 54 HD1 PRO 54 8.437 -21.015 -21.015 376 H GLU 55 HN GLU 55 8.025 -26.378 -26.378 377 HA GLU 55 HA GLU 55 10.383 -27.404 -27.404 378 1HB GLU 55 HB2 GLU 55 8.889 -28.784 -28.784 379 2HB GLU 55 HB1 GLU 55 7.634 -28.658 -28.658 380 1HG GLU 55 HG2 GLU 55 8.736 -30.051 -30.051 381 2HG GLU 55 HG1 GLU 55 10.332 -29.561 -29.561 382 H GLU 56 HN GLU 56 10.711 -27.608 -27.608 383 HA GLU 56 HA GLU 56 8.553 -26.557 -26.557 384 1HB GLU 56 HB2 GLU 56 11.529 -26.432 -26.432 385 2HB GLU 56 HB1 GLU 56 10.706 -26.571 -26.571 386 1HG GLU 56 HG2 GLU 56 9.751 -24.567 -24.567 387 2HG GLU 56 HG1 GLU 56 11.134 -24.189 -24.189 388 H GLU 57 HN GLU 57 7.428 -28.138 -28.138 389 HA GLU 57 HA GLU 57 8.845 -30.673 -30.673 390 1HB GLU 57 HB2 GLU 57 6.666 -30.585 -30.585 391 2HB GLU 57 HB1 GLU 57 5.861 -30.285 -30.285 392 1HG GLU 57 HG2 GLU 57 6.981 -32.349 -32.349 393 2HG GLU 57 HG1 GLU 57 7.570 -32.681 -32.681 394 H SER 58 HN SER 58 8.405 -31.673 -31.673 395 HA SER 58 HA SER 58 7.391 -29.792 -29.792 396 1HB SER 58 HB2 SER 58 9.383 -30.672 -30.672 397 2HB SER 58 HB1 SER 58 9.693 -29.399 -29.399 398 HG SER 58 HG SER 58 9.845 -31.846 -31.846 399 H GLU 59 HN GLU 59 5.666 -30.945 -30.945 400 HA GLU 59 HA GLU 59 6.202 -33.741 -33.741 401 1HB GLU 59 HB2 GLU 59 3.946 -32.644 -32.644 402 2HB GLU 59 HB1 GLU 59 3.645 -34.011 -34.011 403 1HG GLU 59 HG2 GLU 59 5.951 -33.987 -33.987 404 2HG GLU 59 HG1 GLU 59 4.351 -34.580 -34.580 405 H PHE 60 HN PHE 60 6.229 -33.523 -33.523 406 HA PHE 60 HA PHE 60 4.018 -31.955 -31.955 407 1HB PHE 60 HB2 PHE 60 6.566 -31.363 -31.363 408 2HB PHE 60 HB1 PHE 60 6.502 -32.703 -32.703 409 HD1 PHE 60 HD1 PHE 60 4.913 -29.453 -29.453 410 HD2 PHE 60 HD2 PHE 60 5.456 -32.464 -32.464 411 HE1 PHE 60 HE1 PHE 60 3.823 -27.979 -27.979 412 HE2 PHE 60 HE2 PHE 60 4.366 -30.990 -30.990 413 HZ PHE 60 HZ PHE 60 3.548 -28.748 -28.748 Start of MODEL 6 1 1H GLU 1 HT1 GLU 1 16.902 -8.492 -8.492 2 2H GLU 1 HT3 GLU 1 18.551 -8.118 -8.118 3 3H GLU 1 HT2 GLU 1 17.547 -7.931 -7.931 4 HA GLU 1 HA GLU 1 16.913 -5.935 -5.935 5 1HB GLU 1 HB2 GLU 1 19.441 -6.202 -6.202 6 2HB GLU 1 HB1 GLU 1 18.749 -5.995 -5.995 7 1HG GLU 1 HG2 GLU 1 17.899 -3.850 -3.850 8 2HG GLU 1 HG1 GLU 1 18.059 -4.107 -4.107 9 H ALA 2 HN ALA 2 15.196 -7.919 -7.919 10 HA ALA 2 HA ALA 2 13.944 -6.380 -6.380 11 1HB ALA 2 HB2 ALA 2 15.740 -8.599 -8.599 12 2HB ALA 2 HB1 ALA 2 14.125 -8.754 -8.754 13 3HB ALA 2 HB3 ALA 2 15.087 -7.313 -7.313 14 H GLN 3 HN GLN 3 12.511 -6.713 -6.713 15 HA GLN 3 HA GLN 3 10.732 -8.993 -8.993 16 1HB GLN 3 HB2 GLN 3 12.083 -8.423 -8.423 17 2HB GLN 3 HB1 GLN 3 10.626 -9.406 -9.406 18 1HG GLN 3 HG2 GLN 3 12.114 -11.120 -11.120 19 2HG GLN 3 HG1 GLN 3 12.166 -10.550 -10.550 20 1HE2 GLN 3 HE22 GLN 3 15.662 -10.233 -10.233 21 2HE2 GLN 3 HE21 GLN 3 14.406 -11.031 -11.031 22 H THR 4 HN THR 4 9.128 -7.492 -7.492 23 HA THR 4 HA THR 4 7.558 -6.304 -6.304 24 HB THR 4 HB THR 4 7.961 -3.936 -3.936 25 HG1 THR 4 HG1 THR 4 9.940 -5.366 -5.366 26 1HG2 THR 4 HG23 THR 4 8.160 -4.847 -4.847 27 2HG2 THR 4 HG22 THR 4 9.846 -4.444 -4.444 28 3HG2 THR 4 HG21 THR 4 8.598 -3.208 -3.208 29 H GLU 5 HN GLU 5 6.164 -4.378 -4.378 30 HA GLU 5 HA GLU 5 5.100 -6.039 -6.039 31 1HB GLU 5 HB2 GLU 5 3.740 -3.813 -3.813 32 2HB GLU 5 HB1 GLU 5 2.989 -4.861 -4.861 33 1HG GLU 5 HG2 GLU 5 3.794 -6.808 -6.808 34 2HG GLU 5 HG1 GLU 5 3.942 -5.557 -5.557 35 H THR 6 HN THR 6 5.465 -5.262 -5.262 36 HA THR 6 HA THR 6 5.690 -2.337 -2.337 37 HB THR 6 HB THR 6 7.575 -4.121 -4.121 38 HG1 THR 6 HG1 THR 6 8.914 -3.207 -3.207 39 1HG2 THR 6 HG23 THR 6 7.064 -1.455 -1.455 40 2HG2 THR 6 HG22 THR 6 8.352 -1.490 -1.490 41 3HG2 THR 6 HG21 THR 6 8.631 -2.157 -2.157 42 H CYS 7 HN CYS 7 4.997 -1.605 -1.605 43 HA CYS 7 HA CYS 7 3.622 -3.685 -3.685 44 1HB CYS 7 HB2 CYS 7 3.024 -0.798 -0.798 45 2HB CYS 7 HB1 CYS 7 2.415 -1.528 -1.528 46 H THR 8 HN THR 8 6.011 -1.115 -1.115 47 HA THR 8 HA THR 8 6.070 -0.679 -0.679 48 HB THR 8 HB THR 8 7.048 0.949 0.949 49 HG1 THR 8 HG1 THR 8 8.752 1.312 1.312 50 1HG2 THR 8 HG21 THR 8 8.699 -1.412 -1.412 51 2HG2 THR 8 HG23 THR 8 9.275 0.237 0.237 52 3HG2 THR 8 HG22 THR 8 7.765 -0.291 -0.291 53 H VAL 9 HN VAL 9 7.435 -1.533 -1.533 54 HA VAL 9 HA VAL 9 9.173 -3.796 -3.796 55 HB VAL 9 HB VAL 9 7.149 -3.910 -3.910 56 1HG1 VAL 9 HG13 VAL 9 9.280 -5.736 -5.736 57 2HG1 VAL 9 HG12 VAL 9 7.833 -6.434 -6.434 58 3HG1 VAL 9 HG11 VAL 9 8.868 -5.364 -5.364 59 1HG2 VAL 9 HG22 VAL 9 6.124 -3.970 -3.970 60 2HG2 VAL 9 HG21 VAL 9 5.877 -5.445 -5.445 61 3HG2 VAL 9 HG23 VAL 9 7.104 -5.395 -5.395 62 H ALA 10 HN ALA 10 10.347 -4.480 -4.480 63 HA ALA 10 HA ALA 10 11.870 -2.240 -2.240 64 1HB ALA 10 HB1 ALA 10 11.543 -5.042 -5.042 65 2HB ALA 10 HB3 ALA 10 12.399 -3.886 -3.886 66 3HB ALA 10 HB2 ALA 10 12.986 -4.229 -4.229 67 HA PRO 11 HA PRO 11 8.674 -0.111 -0.111 68 1HB PRO 11 HB2 PRO 11 11.008 1.086 1.086 69 2HB PRO 11 HB1 PRO 11 9.691 1.869 1.869 70 1HG PRO 11 HG2 PRO 11 12.327 1.355 1.355 71 2HG PRO 11 HG1 PRO 11 10.982 2.055 2.055 72 1HD PRO 11 HD2 PRO 11 12.174 -0.445 -0.445 73 2HD PRO 11 HD1 PRO 11 10.643 0.127 0.127 74 H ARG 12 HN ARG 12 11.545 -1.797 -1.797 75 HA ARG 12 HA ARG 12 10.463 -1.877 -1.877 76 1HB ARG 12 HB2 ARG 12 12.891 -3.124 -3.124 77 2HB ARG 12 HB1 ARG 12 12.470 -3.375 -3.375 78 1HG ARG 12 HG2 ARG 12 12.975 -1.208 -1.208 79 2HG ARG 12 HG1 ARG 12 12.543 -0.562 -0.562 80 1HD ARG 12 HD2 ARG 12 14.621 -0.984 -0.984 81 2HD ARG 12 HD1 ARG 12 14.882 -2.406 -2.406 82 HE ARG 12 HE ARG 12 15.509 0.355 0.355 83 1HH1 ARG 12 HH11 ARG 12 14.949 -2.911 -2.911 84 2HH1 ARG 12 HH12 ARG 12 15.817 -2.704 -2.704 85 1HH2 ARG 12 HH21 ARG 12 16.640 0.604 0.604 86 2HH2 ARG 12 HH22 ARG 12 16.769 -0.724 -0.724 87 H GLU 13 HN GLU 13 10.859 -4.130 -4.130 88 HA GLU 13 HA GLU 13 9.367 -6.166 -6.166 89 1HB GLU 13 HB2 GLU 13 11.163 -6.289 -6.289 90 2HB GLU 13 HB1 GLU 13 10.078 -7.619 -7.619 91 1HG GLU 13 HG2 GLU 13 11.102 -7.819 -7.819 92 2HG GLU 13 HG1 GLU 13 12.151 -6.442 -6.442 93 H ARG 14 HN ARG 14 7.743 -4.095 -4.095 94 HA ARG 14 HA ARG 14 6.533 -4.733 -4.733 95 1HB ARG 14 HB2 ARG 14 6.230 -2.546 -2.546 96 2HB ARG 14 HB1 ARG 14 4.929 -2.836 -2.836 97 1HG ARG 14 HG2 ARG 14 6.791 -2.790 -2.790 98 2HG ARG 14 HG1 ARG 14 7.783 -2.036 -2.036 99 1HD ARG 14 HD2 ARG 14 6.331 -0.170 -0.170 100 2HD ARG 14 HD1 ARG 14 5.035 -0.992 -0.992 101 HE ARG 14 HE ARG 14 7.384 -0.728 -0.728 102 1HH1 ARG 14 HH11 ARG 14 4.620 0.974 0.974 103 2HH1 ARG 14 HH12 ARG 14 4.557 2.113 2.113 104 1HH2 ARG 14 HH21 ARG 14 7.287 0.776 0.776 105 2HH2 ARG 14 HH22 ARG 14 6.062 2.000 2.000 106 H GLN 15 HN GLN 15 4.596 -5.848 -5.848 107 HA GLN 15 HA GLN 15 3.583 -7.239 -7.239 108 1HB GLN 15 HB2 GLN 15 3.736 -7.951 -7.951 109 2HB GLN 15 HB1 GLN 15 2.100 -7.290 -7.290 110 1HG GLN 15 HG2 GLN 15 1.687 -9.500 -9.500 111 2HG GLN 15 HG1 GLN 15 1.842 -8.738 -8.738 112 1HE2 GLN 15 HE22 GLN 15 5.056 -10.217 -10.217 113 2HE2 GLN 15 HE21 GLN 15 4.109 -8.849 -8.849 114 H ASN 16 HN ASN 16 2.425 -5.929 -5.929 115 HA ASN 16 HA ASN 16 0.889 -3.685 -3.685 116 1HB ASN 16 HB2 ASN 16 1.760 -4.380 -4.380 117 2HB ASN 16 HB1 ASN 16 0.276 -5.329 -5.329 118 1HD2 ASN 16 HD22 ASN 16 0.056 -1.445 -1.445 119 2HD2 ASN 16 HD21 ASN 16 1.490 -2.353 -2.353 120 H CYS 17 HN CYS 17 -0.933 -3.728 -3.728 121 HA CYS 17 HA CYS 17 -2.571 -6.169 -6.169 122 1HB CYS 17 HB2 CYS 17 -1.902 -4.997 -4.997 123 2HB CYS 17 HB1 CYS 17 -2.866 -3.614 -3.614 124 H GLY 18 HN GLY 18 -2.460 -3.200 -3.200 125 1HA GLY 18 HA2 GLY 18 -4.659 -3.588 -3.588 126 2HA GLY 18 HA1 GLY 18 -5.296 -2.716 -2.716 127 H PHE 19 HN PHE 19 -5.497 -1.346 -1.346 128 HA PHE 19 HA PHE 19 -3.189 0.167 0.167 129 1HB PHE 19 HB2 PHE 19 -4.925 1.775 1.775 130 2HB PHE 19 HB1 PHE 19 -4.936 0.127 0.127 131 HD1 PHE 19 HD1 PHE 19 -6.646 -1.514 -1.514 132 HD2 PHE 19 HD2 PHE 19 -6.823 2.685 2.685 133 HE1 PHE 19 HE1 PHE 19 -9.030 -1.752 -1.752 134 HE2 PHE 19 HE2 PHE 19 -9.212 2.445 2.445 135 HZ PHE 19 HZ PHE 19 -10.312 0.227 0.227 136 HA PRO 20 HA PRO 20 -3.111 3.258 3.258 137 1HB PRO 20 HB2 PRO 20 -2.378 5.496 5.496 138 2HB PRO 20 HB1 PRO 20 -1.279 4.251 4.251 139 1HG PRO 20 HG2 PRO 20 -1.988 4.810 4.810 140 2HG PRO 20 HG1 PRO 20 -0.870 3.585 3.585 141 1HD PRO 20 HD2 PRO 20 -3.624 3.259 3.259 142 2HD PRO 20 HD1 PRO 20 -2.374 2.028 2.028 143 H GLY 21 HN GLY 21 -5.052 4.118 4.118 144 1HA GLY 21 HA2 GLY 21 -6.309 6.431 6.431 145 2HA GLY 21 HA1 GLY 21 -7.025 5.319 5.319 146 H VAL 22 HN VAL 22 -6.458 3.233 3.233 147 HA VAL 22 HA VAL 22 -9.142 3.058 3.058 148 HB VAL 22 HB VAL 22 -8.209 1.548 1.548 149 1HG1 VAL 22 HG12 VAL 22 -8.705 0.809 0.809 150 2HG1 VAL 22 HG11 VAL 22 -6.993 1.042 1.042 151 3HG1 VAL 22 HG13 VAL 22 -7.489 -0.161 -0.161 152 1HG2 VAL 22 HG21 VAL 22 -5.623 2.591 2.591 153 2HG2 VAL 22 HG23 VAL 22 -6.115 2.554 2.554 154 3HG2 VAL 22 HG22 VAL 22 -5.705 1.054 1.054 155 H THR 23 HN THR 23 -9.271 2.896 2.896 156 HA THR 23 HA THR 23 -8.162 5.371 5.371 157 HB THR 23 HB THR 23 -10.652 5.678 5.678 158 HG1 THR 23 HG1 THR 23 -12.147 4.962 4.962 159 1HG2 THR 23 HG22 THR 23 -9.554 6.565 6.565 160 2HG2 THR 23 HG21 THR 23 -11.035 7.223 7.223 161 3HG2 THR 23 HG23 THR 23 -9.497 7.440 7.440 162 HA PRO 24 HA PRO 24 -7.516 3.422 3.422 163 1HB PRO 24 HB2 PRO 24 -9.688 4.953 4.953 164 2HB PRO 24 HB1 PRO 24 -7.950 4.979 4.979 165 1HG PRO 24 HG2 PRO 24 -9.499 6.826 6.826 166 2HG PRO 24 HG1 PRO 24 -7.781 6.901 6.901 167 1HD PRO 24 HD2 PRO 24 -8.738 6.500 6.500 168 2HD PRO 24 HD1 PRO 24 -7.128 5.997 5.997 169 H SER 25 HN SER 25 -10.887 3.773 3.773 170 HA SER 25 HA SER 25 -11.922 1.729 1.729 171 1HB SER 25 HB2 SER 25 -13.943 1.904 1.904 172 2HB SER 25 HB1 SER 25 -13.382 3.485 3.485 173 HG SER 25 HG SER 25 -13.879 2.934 2.934 174 H GLN 26 HN GLN 26 -11.159 1.838 1.838 175 HA GLN 26 HA GLN 26 -11.767 -0.876 -0.876 176 1HB GLN 26 HB2 GLN 26 -10.047 1.191 1.191 177 2HB GLN 26 HB1 GLN 26 -10.016 -0.480 -0.480 178 1HG GLN 26 HG2 GLN 26 -12.589 -0.324 -0.324 179 2HG GLN 26 HG1 GLN 26 -12.359 1.419 1.419 180 1HE2 GLN 26 HE22 GLN 26 -11.886 1.645 1.645 181 2HE2 GLN 26 HE21 GLN 26 -12.566 2.301 2.301 182 H CYS 27 HN CYS 27 -8.629 0.703 0.703 183 HA CYS 27 HA CYS 27 -7.112 -1.700 -1.700 184 1HB CYS 27 HB2 CYS 27 -6.341 0.800 0.800 185 2HB CYS 27 HB1 CYS 27 -6.449 0.607 0.607 186 H ALA 28 HN ALA 28 -9.188 -0.214 -0.214 187 HA ALA 28 HA ALA 28 -8.223 -2.004 -2.004 188 1HB ALA 28 HB3 ALA 28 -10.481 0.016 0.016 189 2HB ALA 28 HB2 ALA 28 -9.946 -0.869 -0.869 190 3HB ALA 28 HB1 ALA 28 -8.863 0.283 0.283 191 H ASN 29 HN ASN 29 -10.337 -2.290 -2.290 192 HA ASN 29 HA ASN 29 -12.450 -3.769 -3.769 193 1HB ASN 29 HB2 ASN 29 -12.552 -2.548 -2.548 194 2HB ASN 29 HB1 ASN 29 -11.692 -3.942 -3.942 195 1HD2 ASN 29 HD22 ASN 29 -15.620 -4.240 -4.240 196 2HD2 ASN 29 HD21 ASN 29 -14.753 -2.785 -2.785 197 H LYS 30 HN LYS 30 -9.312 -4.556 -4.556 198 HA LYS 30 HA LYS 30 -9.892 -7.435 -7.435 199 1HB LYS 30 HB2 LYS 30 -7.829 -5.891 -5.891 200 2HB LYS 30 HB1 LYS 30 -7.596 -7.599 -7.599 201 1HG LYS 30 HG2 LYS 30 -10.222 -6.728 -6.728 202 2HG LYS 30 HG1 LYS 30 -8.832 -6.862 -6.862 203 1HD LYS 30 HD2 LYS 30 -8.503 -9.180 -9.180 204 2HD LYS 30 HD1 LYS 30 -9.717 -9.075 -9.075 205 1HE LYS 30 HE2 LYS 30 -11.018 -9.990 -9.990 206 2HE LYS 30 HE1 LYS 30 -11.251 -8.280 -8.280 207 1HZ LYS 30 HZ3 LYS 30 -8.930 -9.549 -9.549 208 2HZ LYS 30 HZ2 LYS 30 -10.438 -10.043 -10.043 209 3HZ LYS 30 HZ1 LYS 30 -9.992 -8.405 -8.405 210 H GLY 31 HN GLY 31 -7.596 -4.859 -4.859 211 1HA GLY 31 HA2 GLY 31 -6.885 -4.925 -4.925 212 2HA GLY 31 HA1 GLY 31 -6.654 -6.661 -6.661 213 H CYS 32 HN CYS 32 -5.770 -4.077 -4.077 214 HA CYS 32 HA CYS 32 -2.988 -5.068 -5.068 215 1HB CYS 32 HB2 CYS 32 -4.569 -3.571 -3.571 216 2HB CYS 32 HB1 CYS 32 -2.809 -3.662 -3.662 217 H CYS 33 HN CYS 33 -1.299 -3.678 -3.678 218 HA CYS 33 HA CYS 33 -1.941 -1.402 -1.402 219 1HB CYS 33 HB2 CYS 33 0.686 -2.288 -2.288 220 2HB CYS 33 HB1 CYS 33 0.528 -1.010 -1.010 221 H PHE 34 HN PHE 34 -2.651 0.532 0.532 222 HA PHE 34 HA PHE 34 -1.973 1.307 1.307 223 1HB PHE 34 HB2 PHE 34 -4.326 1.496 1.496 224 2HB PHE 34 HB1 PHE 34 -3.745 2.730 2.730 225 HD1 PHE 34 HD2 PHE 34 -2.687 4.834 4.834 226 HD2 PHE 34 HD1 PHE 34 -4.753 2.003 2.003 227 HE1 PHE 34 HE2 PHE 34 -2.888 6.545 6.545 228 HE2 PHE 34 HE1 PHE 34 -4.953 3.713 3.713 229 HZ PHE 34 HZ PHE 34 -4.019 5.984 5.984 230 H ASP 35 HN ASP 35 -0.209 2.601 2.601 231 HA ASP 35 HA ASP 35 0.506 4.536 4.536 232 1HB ASP 35 HB2 ASP 35 1.986 2.486 2.486 233 2HB ASP 35 HB1 ASP 35 2.515 2.909 2.909 234 H ASP 36 HN ASP 36 0.402 6.553 6.553 235 HA ASP 36 HA ASP 36 0.994 6.800 6.800 236 1HB ASP 36 HB2 ASP 36 -0.329 8.926 8.926 237 2HB ASP 36 HB1 ASP 36 -1.278 7.486 7.486 238 H THR 37 HN THR 37 3.321 6.696 6.696 239 HA THR 37 HA THR 37 4.091 9.457 9.457 240 HB THR 37 HB THR 37 6.129 8.323 8.323 241 HG1 THR 37 HG1 THR 37 5.918 6.075 6.075 242 1HG2 THR 37 HG22 THR 37 4.160 8.996 8.996 243 2HG2 THR 37 HG21 THR 37 3.457 7.401 7.401 244 3HG2 THR 37 HG23 THR 37 4.958 7.558 7.558 245 H VAL 38 HN VAL 38 5.246 6.549 6.549 246 HA VAL 38 HA VAL 38 7.010 8.317 8.317 247 HB VAL 38 HB VAL 38 6.857 5.288 5.288 248 1HG1 VAL 38 HG11 VAL 38 8.650 7.314 7.314 249 2HG1 VAL 38 HG13 VAL 38 9.286 5.725 5.725 250 3HG1 VAL 38 HG12 VAL 38 7.929 5.857 5.857 251 1HG2 VAL 38 HG22 VAL 38 8.752 7.194 7.194 252 2HG2 VAL 38 HG21 VAL 38 7.514 6.209 6.209 253 3HG2 VAL 38 HG23 VAL 38 8.888 5.435 5.435 254 H ARG 39 HN ARG 39 6.567 8.763 8.763 255 HA ARG 39 HA ARG 39 4.024 7.819 7.819 256 1HB ARG 39 HB2 ARG 39 5.254 10.197 10.197 257 2HB ARG 39 HB1 ARG 39 5.910 9.437 9.437 258 1HG ARG 39 HG2 ARG 39 3.956 10.310 10.310 259 2HG ARG 39 HG1 ARG 39 3.373 8.730 8.730 260 1HD ARG 39 HD2 ARG 39 2.684 9.750 9.750 261 2HD ARG 39 HD1 ARG 39 3.154 11.328 11.328 262 HE ARG 39 HE ARG 39 0.745 9.894 9.894 263 1HH1 ARG 39 HH21 ARG 39 3.171 12.069 12.069 264 2HH1 ARG 39 HH22 ARG 39 2.113 12.785 12.785 265 1HH2 ARG 39 HH11 ARG 39 -0.621 10.844 10.844 266 2HH2 ARG 39 HH12 ARG 39 -0.023 12.093 12.093 267 H GLY 40 HN GLY 40 4.151 7.265 7.265 268 1HA GLY 40 HA2 GLY 40 5.047 5.948 5.948 269 2HA GLY 40 HA1 GLY 40 6.530 5.786 5.786 270 H VAL 41 HN VAL 41 5.649 4.707 4.707 271 HA VAL 41 HA VAL 41 5.025 1.988 1.988 272 HB VAL 41 HB VAL 41 5.280 1.519 1.519 273 1HG1 VAL 41 HG13 VAL 41 7.217 1.697 1.697 274 2HG1 VAL 41 HG12 VAL 41 7.527 3.288 3.288 275 3HG1 VAL 41 HG11 VAL 41 7.637 1.846 1.846 276 1HG2 VAL 41 HG21 VAL 41 4.397 3.770 3.770 277 2HG2 VAL 41 HG23 VAL 41 5.903 3.308 3.308 278 3HG2 VAL 41 HG22 VAL 41 5.925 4.477 4.477 279 HA PRO 42 HA PRO 42 0.708 2.096 2.096 280 1HB PRO 42 HB2 PRO 42 0.432 -0.508 -0.508 281 2HB PRO 42 HB1 PRO 42 0.425 -0.034 -0.034 282 1HG PRO 42 HG2 PRO 42 2.374 -1.585 -1.585 283 2HG PRO 42 HG1 PRO 42 2.391 -1.063 -1.063 284 1HD PRO 42 HD2 PRO 42 3.825 0.076 0.076 285 2HD PRO 42 HD1 PRO 42 4.186 0.217 0.217 286 H TRP 43 HN TRP 43 -0.283 3.046 3.046 287 HA TRP 43 HA TRP 43 0.893 2.993 2.993 288 1HB TRP 43 HB2 TRP 43 -1.926 3.800 3.800 289 2HB TRP 43 HB1 TRP 43 -1.066 4.260 4.260 290 HD1 TRP 43 HD1 TRP 43 1.762 4.900 4.900 291 HE1 TRP 43 HE1 TRP 43 1.985 7.065 7.065 292 HE3 TRP 43 HE3 TRP 43 -3.165 5.855 5.855 293 HZ2 TRP 43 HZ2 TRP 43 0.299 8.951 8.951 294 HZ3 TRP 43 HZ3 TRP 43 -3.826 7.841 7.841 295 HH2 TRP 43 HH2 TRP 43 -2.102 9.390 9.390 296 H CYS 44 HN CYS 44 -1.812 1.200 1.200 297 HA CYS 44 HA CYS 44 -2.361 -0.166 -0.166 298 1HB CYS 44 HB2 CYS 44 -4.140 0.495 0.495 299 2HB CYS 44 HB1 CYS 44 -3.522 -0.843 -0.843 300 H PHE 45 HN PHE 45 -0.861 -1.707 -1.707 301 HA PHE 45 HA PHE 45 -0.297 -3.812 -3.812 302 1HB PHE 45 HB2 PHE 45 2.100 -3.639 -3.639 303 2HB PHE 45 HB1 PHE 45 1.486 -2.056 -2.056 304 HD1 PHE 45 HD1 PHE 45 0.712 -0.663 -0.663 305 HD2 PHE 45 HD2 PHE 45 3.865 -3.551 -3.551 306 HE1 PHE 45 HE1 PHE 45 1.851 0.315 0.315 307 HE2 PHE 45 HE2 PHE 45 5.006 -2.566 -2.566 308 HZ PHE 45 HZ PHE 45 3.998 -0.636 -0.636 309 H TYR 46 HN TYR 46 1.275 -5.505 -5.505 310 HA TYR 46 HA TYR 46 -0.182 -6.165 -6.165 311 1HB TYR 46 HB2 TYR 46 1.837 -7.546 -7.546 312 2HB TYR 46 HB1 TYR 46 1.535 -8.150 -8.150 313 HD1 TYR 46 HD1 TYR 46 0.037 -7.519 -7.519 314 HD2 TYR 46 HD2 TYR 46 -0.593 -9.141 -9.141 315 HE1 TYR 46 HE1 TYR 46 -2.043 -8.617 -8.617 316 HE2 TYR 46 HE2 TYR 46 -2.673 -10.239 -10.239 317 HH TYR 46 HH TYR 46 -3.772 -9.889 -9.889 318 HA PRO 47 HA PRO 47 3.055 -4.969 -4.969 319 1HB PRO 47 HB2 PRO 47 2.506 -6.789 -6.789 320 2HB PRO 47 HB1 PRO 47 1.547 -5.343 -5.343 321 1HG PRO 47 HG2 PRO 47 0.771 -8.072 -8.072 322 2HG PRO 47 HG1 PRO 47 -0.179 -6.621 -6.621 323 1HD PRO 47 HD2 PRO 47 1.368 -8.357 -8.357 324 2HD PRO 47 HD1 PRO 47 -0.022 -7.302 -7.302 325 H ASN 48 HN ASN 48 4.498 -6.315 -6.315 326 HA ASN 48 HA ASN 48 5.664 -8.769 -8.769 327 1HB ASN 48 HB2 ASN 48 6.831 -6.199 -6.199 328 2HB ASN 48 HB1 ASN 48 7.978 -7.330 -7.330 329 1HD2 ASN 48 HD22 ASN 48 7.633 -9.749 -9.749 330 2HD2 ASN 48 HD21 ASN 48 8.066 -9.551 -9.551 331 H THR 49 HN THR 49 4.999 -9.006 -9.006 332 HA THR 49 HA THR 49 6.678 -7.526 -7.526 333 HB THR 49 HB THR 49 5.164 -8.385 -8.385 334 HG1 THR 49 HG1 THR 49 4.838 -10.317 -10.317 335 1HG2 THR 49 HG21 THR 49 3.881 -7.304 -7.304 336 2HG2 THR 49 HG23 THR 49 2.937 -7.607 -7.607 337 3HG2 THR 49 HG22 THR 49 4.266 -6.448 -6.448 338 H ILE 50 HN ILE 50 8.283 -8.516 -8.516 339 HA ILE 50 HA ILE 50 8.985 -11.260 -11.260 340 HB ILE 50 HB ILE 50 10.492 -9.416 -9.416 341 1HG1 ILE 50 HG12 ILE 50 10.971 -9.731 -9.731 342 2HG1 ILE 50 HG11 ILE 50 10.027 -8.402 -8.402 343 1HG2 ILE 50 HG22 ILE 50 11.199 -11.862 -11.862 344 2HG2 ILE 50 HG21 ILE 50 12.417 -10.814 -10.814 345 3HG2 ILE 50 HG23 ILE 50 11.276 -11.682 -11.682 346 1HD1 ILE 50 HD13 ILE 50 12.163 -8.170 -8.170 347 2HD1 ILE 50 HD12 ILE 50 12.958 -8.940 -8.940 348 3HD1 ILE 50 HD11 ILE 50 12.110 -7.408 -7.408 349 H ASP 51 HN ASP 51 9.770 -12.700 -12.700 350 HA ASP 51 HA ASP 51 7.548 -12.835 -12.835 351 1HB ASP 51 HB2 ASP 51 10.057 -14.508 -14.508 352 2HB ASP 51 HB1 ASP 51 8.757 -14.862 -14.862 353 H VAL 52 HN VAL 52 8.209 -13.378 -13.378 354 HA VAL 52 HA VAL 52 10.177 -11.322 -11.322 355 HB VAL 52 HB VAL 52 8.731 -11.018 -11.018 356 1HG1 VAL 52 HG13 VAL 52 8.539 -9.719 -9.719 357 2HG1 VAL 52 HG12 VAL 52 7.031 -10.612 -10.612 358 3HG1 VAL 52 HG11 VAL 52 7.251 -9.541 -9.541 359 1HG2 VAL 52 HG23 VAL 52 7.665 -13.316 -13.316 360 2HG2 VAL 52 HG22 VAL 52 6.538 -12.002 -12.002 361 3HG2 VAL 52 HG21 VAL 52 6.694 -12.639 -12.639 362 HA PRO 53 HA PRO 53 12.671 -14.036 -14.036 363 1HB PRO 53 HB2 PRO 53 11.856 -12.951 -12.951 364 2HB PRO 53 HB1 PRO 53 13.401 -12.780 -12.780 365 1HG PRO 53 HG2 PRO 53 11.178 -10.913 -10.913 366 2HG PRO 53 HG1 PRO 53 12.838 -10.642 -10.642 367 1HD PRO 53 HD2 PRO 53 10.685 -10.640 -10.640 368 2HD PRO 53 HD1 PRO 53 12.322 -11.097 -11.097 369 HA PRO 54 HA PRO 54 9.194 -15.569 -15.569 370 1HB PRO 54 HB2 PRO 54 6.897 -14.857 -14.857 371 2HB PRO 54 HB1 PRO 54 7.107 -14.664 -14.664 372 1HG PRO 54 HG2 PRO 54 7.405 -12.691 -12.691 373 2HG PRO 54 HG1 PRO 54 7.612 -12.502 -12.502 374 1HD PRO 54 HD2 PRO 54 9.653 -12.308 -12.308 375 2HD PRO 54 HD1 PRO 54 9.886 -12.650 -12.650 376 H GLU 55 HN GLU 55 9.053 -17.777 -17.777 377 HA GLU 55 HA GLU 55 9.180 -18.909 -18.909 378 1HB GLU 55 HB2 GLU 55 10.205 -19.822 -19.822 379 2HB GLU 55 HB1 GLU 55 8.591 -20.466 -20.466 380 1HG GLU 55 HG2 GLU 55 9.439 -22.251 -22.251 381 2HG GLU 55 HG1 GLU 55 8.894 -21.286 -21.286 382 H GLU 56 HN GLU 56 7.494 -19.757 -19.757 383 HA GLU 56 HA GLU 56 4.829 -19.818 -19.818 384 1HB GLU 56 HB2 GLU 56 3.900 -19.212 -19.212 385 2HB GLU 56 HB1 GLU 56 4.917 -17.947 -17.947 386 1HG GLU 56 HG2 GLU 56 6.757 -18.520 -18.520 387 2HG GLU 56 HG1 GLU 56 5.995 -20.033 -20.033 388 H GLU 57 HN GLU 57 3.451 -21.574 -21.574 389 HA GLU 57 HA GLU 57 4.908 -23.813 -23.813 390 1HB GLU 57 HB2 GLU 57 2.632 -23.607 -23.607 391 2HB GLU 57 HB1 GLU 57 2.796 -25.058 -25.058 392 1HG GLU 57 HG2 GLU 57 4.913 -25.583 -25.583 393 2HG GLU 57 HG1 GLU 57 5.139 -23.954 -23.954 394 H SER 58 HN SER 58 4.120 -24.794 -24.794 395 HA SER 58 HA SER 58 2.305 -23.260 -23.260 396 1HB SER 58 HB2 SER 58 3.219 -26.103 -26.103 397 2HB SER 58 HB1 SER 58 2.696 -24.919 -24.919 398 HG SER 58 HG SER 58 5.116 -25.356 -25.356 399 H GLU 59 HN GLU 59 0.098 -23.358 -23.358 400 HA GLU 59 HA GLU 59 -1.182 -25.931 -25.931 401 1HB GLU 59 HB2 GLU 59 -0.815 -24.341 -24.341 402 2HB GLU 59 HB1 GLU 59 -2.223 -23.514 -23.514 403 1HG GLU 59 HG2 GLU 59 -3.356 -25.795 -25.795 404 2HG GLU 59 HG1 GLU 59 -2.017 -26.404 -26.404 405 H PHE 60 HN PHE 60 -2.619 -26.214 -26.214 406 HA PHE 60 HA PHE 60 -4.307 -23.930 -23.930 407 1HB PHE 60 HB2 PHE 60 -2.242 -25.224 -25.224 408 2HB PHE 60 HB1 PHE 60 -3.822 -25.118 -25.118 409 HD1 PHE 60 HD1 PHE 60 -4.980 -22.868 -22.868 410 HD2 PHE 60 HD2 PHE 60 -0.873 -23.297 -23.297 411 HE1 PHE 60 HE1 PHE 60 -4.595 -20.464 -20.464 412 HE2 PHE 60 HE2 PHE 60 -0.488 -20.893 -20.893 413 HZ PHE 60 HZ PHE 60 -2.349 -19.475 -19.475 Start of MODEL 7 1 1H GLU 1 HT2 GLU 1 6.150 -19.320 -19.320 2 2H GLU 1 HT1 GLU 1 6.933 -20.749 -20.749 3 3H GLU 1 HT3 GLU 1 6.392 -19.648 -19.648 4 HA GLU 1 HA GLU 1 8.716 -19.406 -19.406 5 1HB GLU 1 HB2 GLU 1 8.009 -19.466 -19.466 6 2HB GLU 1 HB1 GLU 1 9.408 -18.514 -18.514 7 1HG GLU 1 HG2 GLU 1 10.507 -20.408 -20.408 8 2HG GLU 1 HG1 GLU 1 9.031 -21.372 -21.372 9 H ALA 2 HN ALA 2 9.809 -17.144 -17.144 10 HA ALA 2 HA ALA 2 8.024 -15.082 -15.082 11 1HB ALA 2 HB2 ALA 2 10.935 -15.274 -15.274 12 2HB ALA 2 HB1 ALA 2 10.186 -13.679 -13.679 13 3HB ALA 2 HB3 ALA 2 10.174 -14.734 -14.734 14 H GLN 3 HN GLN 3 6.527 -14.306 -14.306 15 HA GLN 3 HA GLN 3 7.555 -13.267 -13.267 16 1HB GLN 3 HB2 GLN 3 5.378 -15.336 -15.336 17 2HB GLN 3 HB1 GLN 3 5.425 -14.261 -14.261 18 1HG GLN 3 HG2 GLN 3 7.576 -15.072 -15.072 19 2HG GLN 3 HG1 GLN 3 7.802 -15.923 -15.923 20 1HE2 GLN 3 HE21 GLN 3 5.841 -17.572 -17.572 21 2HE2 GLN 3 HE22 GLN 3 5.410 -18.526 -18.526 22 H THR 4 HN THR 4 6.743 -11.220 -11.220 23 HA THR 4 HA THR 4 4.193 -10.560 -10.560 24 HB THR 4 HB THR 4 5.294 -8.184 -8.184 25 HG1 THR 4 HG1 THR 4 7.578 -8.404 -8.404 26 1HG2 THR 4 HG21 THR 4 4.765 -9.884 -9.884 27 2HG2 THR 4 HG23 THR 4 6.493 -10.233 -10.233 28 3HG2 THR 4 HG22 THR 4 5.929 -8.603 -8.603 29 H GLU 5 HN GLU 5 3.279 -8.403 -8.403 30 HA GLU 5 HA GLU 5 3.210 -8.816 -8.816 31 1HB GLU 5 HB2 GLU 5 1.555 -7.309 -7.309 32 2HB GLU 5 HB1 GLU 5 1.474 -6.852 -6.852 33 1HG GLU 5 HG2 GLU 5 -0.192 -8.471 -8.471 34 2HG GLU 5 HG1 GLU 5 1.200 -9.456 -9.456 35 H THR 6 HN THR 6 4.181 -7.438 -7.438 36 HA THR 6 HA THR 6 5.060 -4.788 -4.788 37 HB THR 6 HB THR 6 7.065 -6.433 -6.433 38 HG1 THR 6 HG1 THR 6 6.543 -7.795 -7.795 39 1HG2 THR 6 HG23 THR 6 7.049 -3.885 -3.885 40 2HG2 THR 6 HG22 THR 6 7.715 -4.678 -4.678 41 3HG2 THR 6 HG21 THR 6 8.527 -4.838 -4.838 42 H CYS 7 HN CYS 7 4.003 -3.548 -3.548 43 HA CYS 7 HA CYS 7 3.951 -4.498 -4.498 44 1HB CYS 7 HB2 CYS 7 2.551 -2.139 -2.139 45 2HB CYS 7 HB1 CYS 7 2.325 -2.690 -2.690 46 H THR 8 HN THR 8 6.513 -3.763 -3.763 47 HA THR 8 HA THR 8 6.873 -1.150 -1.150 48 HB THR 8 HB THR 8 7.378 -0.891 -0.891 49 HG1 THR 8 HG1 THR 8 9.959 -1.079 -1.079 50 1HG2 THR 8 HG22 THR 8 8.050 -3.547 -3.547 51 2HG2 THR 8 HG21 THR 8 9.639 -2.783 -2.783 52 3HG2 THR 8 HG23 THR 8 8.442 -2.446 -2.446 53 H VAL 9 HN VAL 9 7.145 -2.368 -2.368 54 HA VAL 9 HA VAL 9 9.674 -3.915 -3.915 55 HB VAL 9 HB VAL 9 7.391 -3.881 -3.881 56 1HG1 VAL 9 HG13 VAL 9 9.991 -5.375 -5.375 57 2HG1 VAL 9 HG12 VAL 9 8.625 -6.111 -6.111 58 3HG1 VAL 9 HG11 VAL 9 9.301 -4.586 -4.586 59 1HG2 VAL 9 HG21 VAL 9 6.883 -4.848 -4.848 60 2HG2 VAL 9 HG23 VAL 9 6.651 -5.945 -5.945 61 3HG2 VAL 9 HG22 VAL 9 8.095 -6.079 -6.079 62 H ALA 10 HN ALA 10 10.778 -3.631 -3.631 63 HA ALA 10 HA ALA 10 11.342 -0.833 -0.833 64 1HB ALA 10 HB3 ALA 10 12.820 -2.994 -2.994 65 2HB ALA 10 HB2 ALA 10 12.153 -2.802 -2.802 66 3HB ALA 10 HB1 ALA 10 13.085 -1.495 -1.495 67 HA PRO 11 HA PRO 11 8.021 0.601 0.601 68 1HB PRO 11 HB2 PRO 11 10.097 1.867 1.867 69 2HB PRO 11 HB1 PRO 11 8.779 2.610 2.610 70 1HG PRO 11 HG2 PRO 11 11.535 2.407 2.407 71 2HG PRO 11 HG1 PRO 11 10.218 3.157 3.157 72 1HD PRO 11 HD2 PRO 11 11.588 0.861 0.861 73 2HD PRO 11 HD1 PRO 11 9.999 1.356 1.356 74 H ARG 12 HN ARG 12 11.019 -0.698 -0.698 75 HA ARG 12 HA ARG 12 9.653 -1.325 -1.325 76 1HB ARG 12 HB2 ARG 12 12.379 -2.234 -2.234 77 2HB ARG 12 HB1 ARG 12 11.787 -2.241 -2.241 78 1HG ARG 12 HG2 ARG 12 12.655 -0.172 -0.172 79 2HG ARG 12 HG1 ARG 12 11.406 0.403 0.403 80 1HD ARG 12 HD2 ARG 12 13.418 1.119 1.119 81 2HD ARG 12 HD1 ARG 12 13.010 -0.354 -0.354 82 HE ARG 12 HE ARG 12 14.655 -0.981 -0.981 83 1HH1 ARG 12 HH11 ARG 12 14.730 0.481 0.481 84 2HH1 ARG 12 HH12 ARG 12 16.393 0.088 0.088 85 1HH2 ARG 12 HH21 ARG 12 16.831 -1.486 -1.486 86 2HH2 ARG 12 HH22 ARG 12 17.577 -1.021 -1.021 87 H GLU 13 HN GLU 13 10.826 -3.127 -3.127 88 HA GLU 13 HA GLU 13 9.880 -5.650 -5.650 89 1HB GLU 13 HB2 GLU 13 11.084 -4.929 -4.929 90 2HB GLU 13 HB1 GLU 13 10.653 -6.569 -6.569 91 1HG GLU 13 HG2 GLU 13 12.134 -6.139 -6.139 92 2HG GLU 13 HG1 GLU 13 12.771 -4.764 -4.764 93 H ARG 14 HN ARG 14 7.794 -3.743 -3.743 94 HA ARG 14 HA ARG 14 6.306 -4.588 -4.588 95 1HB ARG 14 HB2 ARG 14 5.875 -2.364 -2.364 96 2HB ARG 14 HB1 ARG 14 4.699 -2.776 -2.776 97 1HG ARG 14 HG2 ARG 14 6.837 -2.593 -2.593 98 2HG ARG 14 HG1 ARG 14 7.404 -1.537 -1.537 99 1HD ARG 14 HD2 ARG 14 5.460 -0.117 -0.117 100 2HD ARG 14 HD1 ARG 14 4.709 -1.236 -1.236 101 HE ARG 14 HE ARG 14 7.044 -0.621 -0.621 102 1HH1 ARG 14 HH11 ARG 14 4.551 1.303 1.303 103 2HH1 ARG 14 HH12 ARG 14 4.789 2.661 2.661 104 1HH2 ARG 14 HH21 ARG 14 7.338 1.172 1.172 105 2HH2 ARG 14 HH22 ARG 14 6.360 2.587 2.587 106 H GLN 15 HN GLN 15 4.159 -5.490 -5.490 107 HA GLN 15 HA GLN 15 3.732 -6.788 -6.788 108 1HB GLN 15 HB2 GLN 15 3.213 -7.552 -7.552 109 2HB GLN 15 HB1 GLN 15 1.990 -8.038 -8.038 110 1HG GLN 15 HG2 GLN 15 3.306 -9.725 -9.725 111 2HG GLN 15 HG1 GLN 15 4.567 -8.576 -8.576 112 1HE2 GLN 15 HE22 GLN 15 6.163 -8.889 -8.889 113 2HE2 GLN 15 HE21 GLN 15 5.663 -7.652 -7.652 114 H ASN 16 HN ASN 16 2.411 -5.445 -5.445 115 HA ASN 16 HA ASN 16 0.576 -3.579 -3.579 116 1HB ASN 16 HB2 ASN 16 1.460 -3.796 -3.796 117 2HB ASN 16 HB1 ASN 16 0.242 -5.051 -5.051 118 1HD2 ASN 16 HD22 ASN 16 -1.287 -1.353 -1.353 119 2HD2 ASN 16 HD21 ASN 16 0.032 -1.957 -1.957 120 H CYS 17 HN CYS 17 -1.258 -3.933 -3.933 121 HA CYS 17 HA CYS 17 -2.563 -6.563 -6.563 122 1HB CYS 17 HB2 CYS 17 -1.976 -5.119 -5.119 123 2HB CYS 17 HB1 CYS 17 -3.540 -4.394 -4.394 124 H GLY 18 HN GLY 18 -2.916 -3.300 -3.300 125 1HA GLY 18 HA2 GLY 18 -5.191 -3.963 -3.963 126 2HA GLY 18 HA1 GLY 18 -5.667 -2.968 -2.968 127 H PHE 19 HN PHE 19 -6.110 -1.707 -1.707 128 HA PHE 19 HA PHE 19 -3.850 -0.365 -0.365 129 1HB PHE 19 HB2 PHE 19 -5.623 1.269 1.269 130 2HB PHE 19 HB1 PHE 19 -5.796 -0.410 -0.410 131 HD1 PHE 19 HD2 PHE 19 -7.441 -1.901 -1.901 132 HD2 PHE 19 HD1 PHE 19 -7.323 2.361 2.361 133 HE1 PHE 19 HE2 PHE 19 -9.731 -1.957 -1.957 134 HE2 PHE 19 HE1 PHE 19 -9.621 2.304 2.304 135 HZ PHE 19 HZ PHE 19 -10.821 0.146 0.146 136 HA PRO 20 HA PRO 20 -3.211 2.892 2.892 137 1HB PRO 20 HB2 PRO 20 -2.555 4.986 4.986 138 2HB PRO 20 HB1 PRO 20 -1.457 3.714 3.714 139 1HG PRO 20 HG2 PRO 20 -2.477 4.154 4.154 140 2HG PRO 20 HG1 PRO 20 -1.360 2.898 2.898 141 1HD PRO 20 HD2 PRO 20 -4.229 2.698 2.698 142 2HD PRO 20 HD1 PRO 20 -3.027 1.406 1.406 143 H GLY 21 HN GLY 21 -5.456 3.697 3.697 144 1HA GLY 21 HA2 GLY 21 -6.442 6.145 6.145 145 2HA GLY 21 HA1 GLY 21 -7.368 5.004 5.004 146 H VAL 22 HN VAL 22 -6.622 3.036 3.036 147 HA VAL 22 HA VAL 22 -9.166 3.131 3.131 148 HB VAL 22 HB VAL 22 -8.115 1.636 1.636 149 1HG1 VAL 22 HG12 VAL 22 -8.988 0.837 0.837 150 2HG1 VAL 22 HG11 VAL 22 -7.325 0.886 0.886 151 3HG1 VAL 22 HG13 VAL 22 -7.763 -0.202 -0.202 152 1HG2 VAL 22 HG21 VAL 22 -5.642 2.419 2.419 153 2HG2 VAL 22 HG23 VAL 22 -5.898 2.461 2.461 154 3HG2 VAL 22 HG22 VAL 22 -5.720 0.914 0.914 155 H THR 23 HN THR 23 -8.937 3.106 3.106 156 HA THR 23 HA THR 23 -7.513 5.537 5.537 157 HB THR 23 HB THR 23 -9.585 6.403 6.403 158 HG1 THR 23 HG1 THR 23 -11.540 5.459 5.459 159 1HG2 THR 23 HG23 THR 23 -8.786 6.983 6.983 160 2HG2 THR 23 HG22 THR 23 -10.152 6.001 6.001 161 3HG2 THR 23 HG21 THR 23 -10.427 7.434 7.434 162 HA PRO 24 HA PRO 24 -6.436 3.664 3.664 163 1HB PRO 24 HB2 PRO 24 -8.289 5.362 5.362 164 2HB PRO 24 HB1 PRO 24 -6.522 5.300 5.300 165 1HG PRO 24 HG2 PRO 24 -8.216 7.175 7.175 166 2HG PRO 24 HG1 PRO 24 -6.455 7.188 7.188 167 1HD PRO 24 HD2 PRO 24 -7.770 6.758 6.758 168 2HD PRO 24 HD1 PRO 24 -6.127 6.179 6.179 169 H SER 25 HN SER 25 -9.942 4.349 4.349 170 HA SER 25 HA SER 25 -10.759 2.288 2.288 171 1HB SER 25 HB2 SER 25 -13.015 2.678 2.678 172 2HB SER 25 HB1 SER 25 -12.296 4.073 4.073 173 HG SER 25 HG SER 25 -12.125 5.011 5.011 174 H GLN 26 HN GLN 26 -10.637 2.539 2.539 175 HA GLN 26 HA GLN 26 -11.678 -0.034 -0.034 176 1HB GLN 26 HB2 GLN 26 -9.781 1.746 1.746 177 2HB GLN 26 HB1 GLN 26 -10.404 0.227 0.227 178 1HG GLN 26 HG2 GLN 26 -12.738 1.255 1.255 179 2HG GLN 26 HG1 GLN 26 -11.861 2.780 2.780 180 1HE2 GLN 26 HE22 GLN 26 -13.226 1.165 1.165 181 2HE2 GLN 26 HE21 GLN 26 -13.849 0.886 0.886 182 H CYS 27 HN CYS 27 -8.240 1.052 1.052 183 HA CYS 27 HA CYS 27 -7.119 -1.520 -1.520 184 1HB CYS 27 HB2 CYS 27 -5.919 0.710 0.710 185 2HB CYS 27 HB1 CYS 27 -5.920 0.750 0.750 186 H ALA 28 HN ALA 28 -8.534 0.079 0.079 187 HA ALA 28 HA ALA 28 -7.425 -1.914 -1.914 188 1HB ALA 28 HB1 ALA 28 -9.249 0.472 0.472 189 2HB ALA 28 HB3 ALA 28 -8.829 -0.627 -0.627 190 3HB ALA 28 HB2 ALA 28 -7.570 0.315 0.315 191 H ASN 29 HN ASN 29 -10.046 -1.742 -1.742 192 HA ASN 29 HA ASN 29 -11.998 -3.088 -3.088 193 1HB ASN 29 HB2 ASN 29 -12.360 -1.582 -1.582 194 2HB ASN 29 HB1 ASN 29 -12.072 -3.082 -3.082 195 1HD2 ASN 29 HD21 ASN 29 -14.652 -1.519 -1.519 196 2HD2 ASN 29 HD22 ASN 29 -15.748 -2.639 -2.639 197 H LYS 30 HN LYS 30 -9.785 -4.040 -4.040 198 HA LYS 30 HA LYS 30 -10.569 -6.805 -6.805 199 1HB LYS 30 HB2 LYS 30 -8.242 -5.314 -5.314 200 2HB LYS 30 HB1 LYS 30 -8.368 -7.073 -7.073 201 1HG LYS 30 HG2 LYS 30 -10.796 -6.586 -6.586 202 2HG LYS 30 HG1 LYS 30 -10.147 -4.988 -4.988 203 1HD LYS 30 HD2 LYS 30 -8.463 -7.281 -7.281 204 2HD LYS 30 HD1 LYS 30 -9.987 -7.091 -7.091 205 1HE LYS 30 HE2 LYS 30 -8.266 -4.677 -4.677 206 2HE LYS 30 HE1 LYS 30 -7.831 -5.812 -5.812 207 1HZ LYS 30 HZ3 LYS 30 -10.521 -4.655 -4.655 208 2HZ LYS 30 HZ2 LYS 30 -9.313 -3.976 -3.976 209 3HZ LYS 30 HZ1 LYS 30 -9.912 -5.530 -5.530 210 H GLY 31 HN GLY 31 -7.770 -4.955 -4.955 211 1HA GLY 31 HA2 GLY 31 -7.136 -5.663 -5.663 212 2HA GLY 31 HA1 GLY 31 -7.145 -7.309 -7.309 213 H CYS 32 HN CYS 32 -6.022 -4.631 -4.631 214 HA CYS 32 HA CYS 32 -3.320 -5.823 -5.823 215 1HB CYS 32 HB2 CYS 32 -4.401 -3.706 -3.706 216 2HB CYS 32 HB1 CYS 32 -2.964 -4.699 -4.699 217 H CYS 33 HN CYS 33 -1.476 -4.524 -4.524 218 HA CYS 33 HA CYS 33 -1.959 -2.401 -2.401 219 1HB CYS 33 HB2 CYS 33 0.645 -3.018 -3.018 220 2HB CYS 33 HB1 CYS 33 0.439 -2.170 -2.170 221 H PHE 34 HN PHE 34 -2.235 -0.232 -0.232 222 HA PHE 34 HA PHE 34 -1.888 0.677 0.677 223 1HB PHE 34 HB2 PHE 34 -4.061 1.085 1.085 224 2HB PHE 34 HB1 PHE 34 -3.182 2.121 2.121 225 HD1 PHE 34 HD2 PHE 34 -3.548 1.613 1.613 226 HD2 PHE 34 HD1 PHE 34 -3.092 4.402 4.402 227 HE1 PHE 34 HE2 PHE 34 -3.714 3.498 3.498 228 HE2 PHE 34 HE1 PHE 34 -3.257 6.288 6.288 229 HZ PHE 34 HZ PHE 34 -3.567 5.835 5.835 230 H ASP 35 HN ASP 35 -0.364 2.254 2.254 231 HA ASP 35 HA ASP 35 0.942 3.803 3.803 232 1HB ASP 35 HB2 ASP 35 2.127 1.568 1.568 233 2HB ASP 35 HB1 ASP 35 2.611 1.910 1.910 234 H ASP 36 HN ASP 36 0.134 5.589 5.589 235 HA ASP 36 HA ASP 36 1.270 5.828 5.828 236 1HB ASP 36 HB2 ASP 36 -0.360 7.685 7.685 237 2HB ASP 36 HB1 ASP 36 -1.147 6.162 6.162 238 H THR 37 HN THR 37 3.442 6.275 6.275 239 HA THR 37 HA THR 37 3.599 9.026 9.026 240 HB THR 37 HB THR 37 5.769 8.318 8.318 241 HG1 THR 37 HG1 THR 37 5.009 5.812 5.812 242 1HG2 THR 37 HG23 THR 37 3.352 6.616 6.616 243 2HG2 THR 37 HG22 THR 37 4.813 6.629 6.629 244 3HG2 THR 37 HG21 THR 37 3.860 8.102 8.102 245 H VAL 38 HN VAL 38 4.586 6.878 6.878 246 HA VAL 38 HA VAL 38 6.171 9.116 9.116 247 HB VAL 38 HB VAL 38 6.751 6.160 6.160 248 1HG1 VAL 38 HG13 VAL 38 7.860 8.697 8.697 249 2HG1 VAL 38 HG12 VAL 38 9.008 7.418 7.418 250 3HG1 VAL 38 HG11 VAL 38 7.711 7.110 7.110 251 1HG2 VAL 38 HG21 VAL 38 7.729 8.221 8.221 252 2HG2 VAL 38 HG23 VAL 38 7.461 6.495 6.495 253 3HG2 VAL 38 HG22 VAL 38 8.892 7.052 7.052 254 H ARG 39 HN ARG 39 6.312 8.958 8.958 255 HA ARG 39 HA ARG 39 3.719 7.981 7.981 256 1HB ARG 39 HB2 ARG 39 5.026 10.477 10.477 257 2HB ARG 39 HB1 ARG 39 5.183 9.716 9.716 258 1HG ARG 39 HG2 ARG 39 2.539 9.772 9.772 259 2HG ARG 39 HG1 ARG 39 3.056 11.118 11.118 260 1HD ARG 39 HD2 ARG 39 3.532 9.218 9.218 261 2HD ARG 39 HD1 ARG 39 2.383 8.303 8.303 262 HE ARG 39 HE ARG 39 0.679 9.703 9.703 263 1HH1 ARG 39 HH21 ARG 39 3.820 11.038 11.038 264 2HH1 ARG 39 HH22 ARG 39 3.196 12.304 12.304 265 1HH2 ARG 39 HH11 ARG 39 -0.116 11.371 11.371 266 2HH2 ARG 39 HH12 ARG 39 0.978 12.491 12.491 267 H GLY 40 HN GLY 40 3.970 7.441 7.441 268 1HA GLY 40 HA2 GLY 40 4.962 6.138 6.138 269 2HA GLY 40 HA1 GLY 40 6.507 6.372 6.372 270 H VAL 41 HN VAL 41 4.677 5.329 5.329 271 HA VAL 41 HA VAL 41 5.141 2.463 2.463 272 HB VAL 41 HB VAL 41 5.609 2.203 2.203 273 1HG1 VAL 41 HG12 VAL 41 7.325 4.153 4.153 274 2HG1 VAL 41 HG11 VAL 41 7.843 3.349 3.349 275 3HG1 VAL 41 HG13 VAL 41 7.486 2.397 2.397 276 1HG2 VAL 41 HG22 VAL 41 5.493 5.235 5.235 277 2HG2 VAL 41 HG21 VAL 41 4.400 4.173 4.173 278 3HG2 VAL 41 HG23 VAL 41 6.096 4.286 4.286 279 HA PRO 42 HA PRO 42 0.950 1.807 1.807 280 1HB PRO 42 HB2 PRO 42 1.229 -0.729 -0.729 281 2HB PRO 42 HB1 PRO 42 1.055 -0.382 -0.382 282 1HG PRO 42 HG2 PRO 42 3.333 -1.427 -1.427 283 2HG PRO 42 HG1 PRO 42 3.164 -1.048 -1.048 284 1HD PRO 42 HD2 PRO 42 4.469 0.516 0.516 285 2HD PRO 42 HD1 PRO 42 4.693 0.600 0.600 286 H TRP 43 HN TRP 43 -0.186 2.571 2.571 287 HA TRP 43 HA TRP 43 1.163 2.747 2.747 288 1HB TRP 43 HB2 TRP 43 -1.698 3.517 3.517 289 2HB TRP 43 HB1 TRP 43 -0.687 4.112 4.112 290 HD1 TRP 43 HD1 TRP 43 1.948 4.657 4.657 291 HE1 TRP 43 HE1 TRP 43 1.971 6.684 6.684 292 HE3 TRP 43 HE3 TRP 43 -3.071 5.451 5.451 293 HZ2 TRP 43 HZ2 TRP 43 0.109 8.413 8.413 294 HZ3 TRP 43 HZ3 TRP 43 -3.920 7.293 7.293 295 HH2 TRP 43 HH2 TRP 43 -2.338 8.774 8.774 296 H CYS 44 HN CYS 44 -1.607 0.986 0.986 297 HA CYS 44 HA CYS 44 -2.119 -0.366 -0.366 298 1HB CYS 44 HB2 CYS 44 -3.924 0.347 0.347 299 2HB CYS 44 HB1 CYS 44 -3.356 -0.981 -0.981 300 H PHE 45 HN PHE 45 -0.860 -2.127 -2.127 301 HA PHE 45 HA PHE 45 -0.200 -4.045 -4.045 302 1HB PHE 45 HB2 PHE 45 2.163 -4.118 -4.118 303 2HB PHE 45 HB1 PHE 45 1.726 -2.481 -2.481 304 HD1 PHE 45 HD2 PHE 45 0.831 -0.972 -0.972 305 HD2 PHE 45 HD1 PHE 45 3.401 -4.386 -4.386 306 HE1 PHE 45 HE2 PHE 45 1.614 -0.132 -0.132 307 HE2 PHE 45 HE1 PHE 45 4.189 -3.547 -3.547 308 HZ PHE 45 HZ PHE 45 3.294 -1.420 -1.420 309 H TYR 46 HN TYR 46 0.941 -6.050 -6.050 310 HA TYR 46 HA TYR 46 -0.778 -6.924 -6.924 311 1HB TYR 46 HB2 TYR 46 1.303 -8.160 -8.160 312 2HB TYR 46 HB1 TYR 46 0.905 -8.969 -8.969 313 HD1 TYR 46 HD1 TYR 46 -1.471 -9.661 -9.661 314 HD2 TYR 46 HD2 TYR 46 -0.207 -8.166 -8.166 315 HE1 TYR 46 HE1 TYR 46 -3.518 -10.595 -10.595 316 HE2 TYR 46 HE2 TYR 46 -2.254 -9.100 -9.100 317 HH TYR 46 HH TYR 46 -4.716 -10.772 -10.772 318 HA PRO 47 HA PRO 47 2.216 -6.416 -6.416 319 1HB PRO 47 HB2 PRO 47 1.521 -8.595 -8.595 320 2HB PRO 47 HB1 PRO 47 0.620 -7.074 -7.074 321 1HG PRO 47 HG2 PRO 47 -0.209 -9.654 -9.654 322 2HG PRO 47 HG1 PRO 47 -1.096 -8.125 -8.125 323 1HD PRO 47 HD2 PRO 47 0.465 -9.518 -9.518 324 2HD PRO 47 HD1 PRO 47 -0.840 -8.324 -8.324 325 H ASN 48 HN ASN 48 4.125 -7.391 -7.391 326 HA ASN 48 HA ASN 48 5.120 -9.868 -9.868 327 1HB ASN 48 HB2 ASN 48 6.389 -7.154 -7.154 328 2HB ASN 48 HB1 ASN 48 7.427 -8.579 -8.579 329 1HD2 ASN 48 HD22 ASN 48 7.312 -8.349 -8.349 330 2HD2 ASN 48 HD21 ASN 48 8.237 -7.955 -7.955 331 H THR 49 HN THR 49 5.145 -11.226 -11.226 332 HA THR 49 HA THR 49 5.917 -10.179 -10.179 333 HB THR 49 HB THR 49 5.372 -12.431 -12.431 334 HG1 THR 49 HG1 THR 49 5.321 -12.945 -12.945 335 1HG2 THR 49 HG22 THR 49 3.535 -10.798 -10.798 336 2HG2 THR 49 HG21 THR 49 3.344 -11.505 -11.505 337 3HG2 THR 49 HG23 THR 49 3.017 -12.475 -12.475 338 H ILE 50 HN ILE 50 8.164 -9.637 -9.637 339 HA ILE 50 HA ILE 50 9.913 -11.943 -11.943 340 HB ILE 50 HB ILE 50 10.599 -8.990 -8.990 341 1HG1 ILE 50 HG12 ILE 50 10.098 -10.752 -10.752 342 2HG1 ILE 50 HG11 ILE 50 8.931 -9.592 -9.592 343 1HG2 ILE 50 HG23 ILE 50 12.075 -11.390 -11.390 344 2HG2 ILE 50 HG22 ILE 50 12.618 -9.714 -9.714 345 3HG2 ILE 50 HG21 ILE 50 12.508 -10.516 -10.516 346 1HD1 ILE 50 HD11 ILE 50 11.701 -8.615 -8.615 347 2HD1 ILE 50 HD13 ILE 50 10.644 -8.916 -8.916 348 3HD1 ILE 50 HD12 ILE 50 10.162 -7.764 -7.764 349 H ASP 51 HN ASP 51 11.813 -12.295 -12.295 350 HA ASP 51 HA ASP 51 11.191 -11.823 -11.823 351 1HB ASP 51 HB2 ASP 51 12.167 -13.981 -13.981 352 2HB ASP 51 HB1 ASP 51 13.686 -13.100 -13.100 353 H VAL 52 HN VAL 52 12.232 -10.364 -10.364 354 HA VAL 52 HA VAL 52 14.292 -8.655 -8.655 355 HB VAL 52 HB VAL 52 13.548 -6.907 -6.907 356 1HG1 VAL 52 HG12 VAL 52 11.388 -8.072 -8.072 357 2HG1 VAL 52 HG11 VAL 52 11.401 -6.428 -6.428 358 3HG1 VAL 52 HG13 VAL 52 12.646 -6.942 -6.942 359 1HG2 VAL 52 HG22 VAL 52 11.798 -9.171 -9.171 360 2HG2 VAL 52 HG21 VAL 52 12.504 -7.876 -7.876 361 3HG2 VAL 52 HG23 VAL 52 11.072 -7.564 -7.564 362 HA PRO 53 HA PRO 53 16.550 -11.420 -11.420 363 1HB PRO 53 HB2 PRO 53 18.858 -10.046 -10.046 364 2HB PRO 53 HB1 PRO 53 18.452 -11.766 -11.766 365 1HG PRO 53 HG2 PRO 53 18.091 -9.776 -9.776 366 2HG PRO 53 HG1 PRO 53 17.923 -11.537 -11.537 367 1HD PRO 53 HD2 PRO 53 15.812 -9.798 -9.798 368 2HD PRO 53 HD1 PRO 53 15.661 -11.473 -11.473 369 HA PRO 54 HA PRO 54 18.970 -7.170 -7.170 370 1HB PRO 54 HB2 PRO 54 16.910 -5.293 -5.293 371 2HB PRO 54 HB1 PRO 54 18.668 -5.203 -5.203 372 1HG PRO 54 HG2 PRO 54 16.731 -6.003 -6.003 373 2HG PRO 54 HG1 PRO 54 18.484 -5.842 -5.842 374 1HD PRO 54 HD2 PRO 54 17.106 -8.236 -8.236 375 2HD PRO 54 HD1 PRO 54 18.836 -8.080 -8.080 376 H GLU 55 HN GLU 55 18.343 -6.077 -6.077 377 HA GLU 55 HA GLU 55 16.036 -7.275 -7.275 378 1HB GLU 55 HB2 GLU 55 16.773 -5.908 -5.908 379 2HB GLU 55 HB1 GLU 55 18.060 -6.918 -6.918 380 1HG GLU 55 HG2 GLU 55 19.139 -5.091 -5.091 381 2HG GLU 55 HG1 GLU 55 17.699 -4.076 -4.076 382 H GLU 56 HN GLU 56 14.267 -6.015 -6.015 383 HA GLU 56 HA GLU 56 13.227 -4.038 -4.038 384 1HB GLU 56 HB2 GLU 56 12.084 -5.715 -5.715 385 2HB GLU 56 HB1 GLU 56 12.126 -4.246 -4.246 386 1HG GLU 56 HG2 GLU 56 10.110 -3.927 -3.927 387 2HG GLU 56 HG1 GLU 56 11.197 -3.153 -3.153 388 H GLU 57 HN GLU 57 13.058 -1.772 -1.772 389 HA GLU 57 HA GLU 57 14.285 -0.618 -0.618 390 1HB GLU 57 HB2 GLU 57 15.170 0.063 0.063 391 2HB GLU 57 HB1 GLU 57 15.726 0.857 0.857 392 1HG GLU 57 HG2 GLU 57 16.452 -1.475 -1.475 393 2HG GLU 57 HG1 GLU 57 16.215 -1.992 -1.992 394 H SER 58 HN SER 58 12.570 0.609 0.609 395 HA SER 58 HA SER 58 11.199 2.290 2.290 396 1HB SER 58 HB2 SER 58 9.771 0.519 0.519 397 2HB SER 58 HB1 SER 58 10.071 1.292 1.292 398 HG SER 58 HG SER 58 8.194 1.890 1.890 399 H GLU 59 HN GLU 59 11.697 4.428 4.428 400 HA GLU 59 HA GLU 59 12.883 5.349 5.349 401 1HB GLU 59 HB2 GLU 59 13.678 5.995 5.995 402 2HB GLU 59 HB1 GLU 59 12.253 7.032 7.032 403 1HG GLU 59 HG2 GLU 59 13.019 8.425 8.425 404 2HG GLU 59 HG1 GLU 59 14.084 7.185 7.185 405 H PHE 60 HN PHE 60 11.287 5.588 5.588 406 HA PHE 60 HA PHE 60 9.195 7.579 7.579 407 1HB PHE 60 HB2 PHE 60 8.247 5.253 5.253 408 2HB PHE 60 HB1 PHE 60 8.642 4.989 4.989 409 HD1 PHE 60 HD1 PHE 60 7.045 7.685 7.685 410 HD2 PHE 60 HD2 PHE 60 6.897 5.311 5.311 411 HE1 PHE 60 HE1 PHE 60 4.946 8.822 8.822 412 HE2 PHE 60 HE2 PHE 60 4.798 6.448 6.448 413 HZ PHE 60 HZ PHE 60 3.821 8.205 8.205 Start of MODEL 8 1 1H GLU 1 HT3 GLU 1 4.453 -14.500 -14.500 2 2H GLU 1 HT2 GLU 1 4.547 -16.120 -16.120 3 3H GLU 1 HT1 GLU 1 5.842 -15.409 -15.409 4 HA GLU 1 HA GLU 1 6.539 -15.425 -15.425 5 1HB GLU 1 HB2 GLU 1 3.652 -14.832 -14.832 6 2HB GLU 1 HB1 GLU 1 4.834 -14.246 -14.246 7 1HG GLU 1 HG2 GLU 1 4.398 -16.369 -16.369 8 2HG GLU 1 HG1 GLU 1 5.786 -16.702 -16.702 9 H ALA 2 HN ALA 2 8.047 -13.826 -13.826 10 HA ALA 2 HA ALA 2 7.218 -11.149 -11.149 11 1HB ALA 2 HB1 ALA 2 9.365 -12.439 -12.439 12 2HB ALA 2 HB3 ALA 2 10.002 -11.920 -11.920 13 3HB ALA 2 HB2 ALA 2 9.502 -10.720 -10.720 14 H GLN 3 HN GLN 3 6.515 -12.362 -12.362 15 HA GLN 3 HA GLN 3 7.921 -10.430 -10.430 16 1HB GLN 3 HB2 GLN 3 6.468 -13.011 -13.011 17 2HB GLN 3 HB1 GLN 3 6.511 -11.830 -11.830 18 1HG GLN 3 HG2 GLN 3 8.473 -12.946 -12.946 19 2HG GLN 3 HG1 GLN 3 9.101 -11.755 -11.755 20 1HE2 GLN 3 HE22 GLN 3 9.747 -14.136 -14.136 21 2HE2 GLN 3 HE21 GLN 3 9.624 -12.485 -12.485 22 H THR 4 HN THR 4 6.867 -8.478 -8.478 23 HA THR 4 HA THR 4 3.944 -8.426 -8.426 24 HB THR 4 HB THR 4 4.446 -5.872 -5.872 25 HG1 THR 4 HG1 THR 4 6.813 -6.870 -6.870 26 1HG2 THR 4 HG22 THR 4 3.982 -7.376 -7.376 27 2HG2 THR 4 HG21 THR 4 5.711 -7.190 -7.190 28 3HG2 THR 4 HG23 THR 4 4.666 -5.768 -5.768 29 H GLU 5 HN GLU 5 2.859 -6.698 -6.698 30 HA GLU 5 HA GLU 5 3.277 -7.684 -7.684 31 1HB GLU 5 HB2 GLU 5 1.481 -5.476 -5.476 32 2HB GLU 5 HB1 GLU 5 1.406 -6.171 -6.171 33 1HG GLU 5 HG2 GLU 5 0.967 -8.405 -8.405 34 2HG GLU 5 HG1 GLU 5 0.941 -7.646 -7.646 35 H THR 6 HN THR 6 4.110 -6.500 -6.500 36 HA THR 6 HA THR 6 5.128 -3.788 -3.788 37 HB THR 6 HB THR 6 6.942 -5.715 -5.715 38 HG1 THR 6 HG1 THR 6 6.626 -6.838 -6.838 39 1HG2 THR 6 HG21 THR 6 7.069 -3.036 -3.036 40 2HG2 THR 6 HG23 THR 6 7.977 -3.780 -3.780 41 3HG2 THR 6 HG22 THR 6 8.462 -4.058 -4.058 42 H CYS 7 HN CYS 7 4.567 -2.487 -2.487 43 HA CYS 7 HA CYS 7 3.898 -3.797 -3.797 44 1HB CYS 7 HB2 CYS 7 3.144 -1.045 -1.045 45 2HB CYS 7 HB1 CYS 7 2.579 -1.786 -1.786 46 H THR 8 HN THR 8 6.133 -1.619 -1.619 47 HA THR 8 HA THR 8 6.953 -0.187 -0.187 48 HB THR 8 HB THR 8 7.455 0.707 0.707 49 HG1 THR 8 HG1 THR 8 9.903 0.600 0.600 50 1HG2 THR 8 HG21 THR 8 7.976 -1.960 -1.960 51 2HG2 THR 8 HG23 THR 8 9.549 -1.167 -1.167 52 3HG2 THR 8 HG22 THR 8 8.199 -0.556 -0.556 53 H VAL 9 HN VAL 9 7.617 -1.407 -1.407 54 HA VAL 9 HA VAL 9 9.841 -3.303 -3.303 55 HB VAL 9 HB VAL 9 7.593 -3.709 -3.709 56 1HG1 VAL 9 HG12 VAL 9 10.092 -5.204 -5.204 57 2HG1 VAL 9 HG11 VAL 9 8.689 -6.093 -6.093 58 3HG1 VAL 9 HG13 VAL 9 9.442 -4.856 -4.856 59 1HG2 VAL 9 HG23 VAL 9 7.985 -4.574 -4.574 60 2HG2 VAL 9 HG22 VAL 9 6.491 -4.222 -4.222 61 3HG2 VAL 9 HG21 VAL 9 7.320 -5.758 -5.758 62 H ALA 10 HN ALA 10 11.021 -3.759 -3.759 63 HA ALA 10 HA ALA 10 11.878 -1.272 -1.272 64 1HB ALA 10 HB2 ALA 10 12.981 -3.708 -3.708 65 2HB ALA 10 HB1 ALA 10 12.290 -3.779 -3.779 66 3HB ALA 10 HB3 ALA 10 13.444 -2.510 -2.510 67 HA PRO 11 HA PRO 11 8.516 -0.156 -0.156 68 1HB PRO 11 HB2 PRO 11 10.627 0.645 0.645 69 2HB PRO 11 HB1 PRO 11 9.370 1.626 1.626 70 1HG PRO 11 HG2 PRO 11 12.119 1.424 1.424 71 2HG PRO 11 HG1 PRO 11 10.854 2.386 2.386 72 1HD PRO 11 HD2 PRO 11 12.147 0.191 0.191 73 2HD PRO 11 HD1 PRO 11 10.618 0.891 0.891 74 H ARG 12 HN ARG 12 11.418 -1.862 -1.862 75 HA ARG 12 HA ARG 12 10.031 -2.862 -2.862 76 1HB ARG 12 HB2 ARG 12 12.709 -3.359 -3.359 77 2HB ARG 12 HB1 ARG 12 12.133 -4.415 -4.415 78 1HG ARG 12 HG2 ARG 12 12.013 -2.627 -2.627 79 2HG ARG 12 HG1 ARG 12 12.141 -1.409 -1.409 80 1HD ARG 12 HD2 ARG 12 14.416 -3.242 -3.242 81 2HD ARG 12 HD1 ARG 12 14.250 -2.416 -2.416 82 HE ARG 12 HE ARG 12 14.735 -1.133 -1.133 83 1HH1 ARG 12 HH11 ARG 12 14.158 -0.901 -0.901 84 2HH1 ARG 12 HH12 ARG 12 14.715 0.735 0.735 85 1HH2 ARG 12 HH21 ARG 12 15.461 1.011 1.011 86 2HH2 ARG 12 HH22 ARG 12 15.449 1.812 1.812 87 H GLU 13 HN GLU 13 10.964 -4.210 -4.210 88 HA GLU 13 HA GLU 13 9.788 -6.792 -6.792 89 1HB GLU 13 HB2 GLU 13 10.989 -5.582 -5.582 90 2HB GLU 13 HB1 GLU 13 10.245 -7.182 -7.182 91 1HG GLU 13 HG2 GLU 13 12.282 -6.533 -6.533 92 2HG GLU 13 HG1 GLU 13 12.837 -6.911 -6.911 93 H ARG 14 HN ARG 14 7.925 -4.638 -4.638 94 HA ARG 14 HA ARG 14 6.149 -4.989 -4.989 95 1HB ARG 14 HB2 ARG 14 6.463 -2.833 -2.833 96 2HB ARG 14 HB1 ARG 14 4.910 -3.041 -3.041 97 1HG ARG 14 HG2 ARG 14 6.310 -3.052 -3.052 98 2HG ARG 14 HG1 ARG 14 7.578 -2.327 -2.327 99 1HD ARG 14 HD2 ARG 14 5.991 -0.541 -0.541 100 2HD ARG 14 HD1 ARG 14 4.769 -1.246 -1.246 101 HE ARG 14 HE ARG 14 7.258 -0.653 -0.653 102 1HH1 ARG 14 HH11 ARG 14 4.185 0.584 0.584 103 2HH1 ARG 14 HH12 ARG 14 4.125 1.844 1.844 104 1HH2 ARG 14 HH21 ARG 14 7.162 1.005 1.005 105 2HH2 ARG 14 HH22 ARG 14 5.804 2.080 2.080 106 H GLN 15 HN GLN 15 4.231 -6.103 -6.103 107 HA GLN 15 HA GLN 15 3.728 -7.273 -7.273 108 1HB GLN 15 HB2 GLN 15 2.388 -7.737 -7.737 109 2HB GLN 15 HB1 GLN 15 2.077 -8.660 -8.660 110 1HG GLN 15 HG2 GLN 15 4.917 -8.411 -8.411 111 2HG GLN 15 HG1 GLN 15 3.870 -9.469 -9.469 112 1HE2 GLN 15 HE22 GLN 15 5.161 -10.684 -10.684 113 2HE2 GLN 15 HE21 GLN 15 5.705 -9.245 -9.245 114 H ASN 16 HN ASN 16 2.391 -6.201 -6.201 115 HA ASN 16 HA ASN 16 0.840 -3.955 -3.955 116 1HB ASN 16 HB2 ASN 16 1.664 -4.777 -4.777 117 2HB ASN 16 HB1 ASN 16 0.152 -5.686 -5.686 118 1HD2 ASN 16 HD22 ASN 16 -1.067 -2.639 -2.639 119 2HD2 ASN 16 HD21 ASN 16 -0.447 -4.172 -4.172 120 H CYS 17 HN CYS 17 -0.933 -3.974 -3.974 121 HA CYS 17 HA CYS 17 -2.572 -6.412 -6.412 122 1HB CYS 17 HB2 CYS 17 -1.831 -5.239 -5.239 123 2HB CYS 17 HB1 CYS 17 -2.774 -3.834 -3.834 124 H GLY 18 HN GLY 18 -2.576 -3.241 -3.241 125 1HA GLY 18 HA2 GLY 18 -4.788 -3.704 -3.704 126 2HA GLY 18 HA1 GLY 18 -5.391 -2.860 -2.860 127 H PHE 19 HN PHE 19 -5.634 -1.521 -1.521 128 HA PHE 19 HA PHE 19 -3.381 0.063 0.063 129 1HB PHE 19 HB2 PHE 19 -5.118 1.579 1.579 130 2HB PHE 19 HB1 PHE 19 -5.211 -0.104 -0.104 131 HD1 PHE 19 HD2 PHE 19 -6.927 -1.629 -1.629 132 HD2 PHE 19 HD1 PHE 19 -6.928 2.618 2.618 133 HE1 PHE 19 HE2 PHE 19 -9.280 -1.748 -1.748 134 HE2 PHE 19 HE1 PHE 19 -9.286 2.498 2.498 135 HZ PHE 19 HZ PHE 19 -10.461 0.315 0.315 136 HA PRO 20 HA PRO 20 -3.086 2.943 2.943 137 1HB PRO 20 HB2 PRO 20 -2.289 5.199 5.199 138 2HB PRO 20 HB1 PRO 20 -1.220 3.923 3.923 139 1HG PRO 20 HG2 PRO 20 -2.154 4.454 4.454 140 2HG PRO 20 HG1 PRO 20 -0.717 3.583 3.583 141 1HD PRO 20 HD2 PRO 20 -3.014 2.399 2.399 142 2HD PRO 20 HD1 PRO 20 -1.774 1.575 1.575 143 H GLY 21 HN GLY 21 -4.974 3.830 3.830 144 1HA GLY 21 HA2 GLY 21 -6.177 6.194 6.194 145 2HA GLY 21 HA1 GLY 21 -6.945 5.026 5.026 146 H VAL 22 HN VAL 22 -6.492 3.014 3.014 147 HA VAL 22 HA VAL 22 -9.151 3.167 3.167 148 HB VAL 22 HB VAL 22 -8.366 1.489 1.489 149 1HG1 VAL 22 HG13 VAL 22 -9.048 0.855 0.855 150 2HG1 VAL 22 HG12 VAL 22 -7.358 0.961 0.961 151 3HG1 VAL 22 HG11 VAL 22 -7.859 -0.247 -0.247 152 1HG2 VAL 22 HG22 VAL 22 -5.738 2.465 2.465 153 2HG2 VAL 22 HG21 VAL 22 -6.180 1.888 1.888 154 3HG2 VAL 22 HG23 VAL 22 -5.875 0.736 0.736 155 H THR 23 HN THR 23 -9.405 3.149 3.149 156 HA THR 23 HA THR 23 -7.848 5.423 5.423 157 HB THR 23 HB THR 23 -10.012 6.170 6.170 158 HG1 THR 23 HG1 THR 23 -11.886 5.392 5.392 159 1HG2 THR 23 HG21 THR 23 -9.705 6.178 6.178 160 2HG2 THR 23 HG23 THR 23 -10.924 7.138 7.138 161 3HG2 THR 23 HG22 THR 23 -9.210 7.430 7.430 162 HA PRO 24 HA PRO 24 -6.915 3.383 3.383 163 1HB PRO 24 HB2 PRO 24 -8.807 5.064 5.064 164 2HB PRO 24 HB1 PRO 24 -7.047 4.954 4.954 165 1HG PRO 24 HG2 PRO 24 -8.612 6.929 6.929 166 2HG PRO 24 HG1 PRO 24 -6.857 6.866 6.866 167 1HD PRO 24 HD2 PRO 24 -8.121 6.563 6.563 168 2HD PRO 24 HD1 PRO 24 -6.503 5.933 5.933 169 H SER 25 HN SER 25 -10.356 4.024 4.024 170 HA SER 25 HA SER 25 -11.371 2.082 2.082 171 1HB SER 25 HB2 SER 25 -12.480 3.694 3.694 172 2HB SER 25 HB1 SER 25 -13.396 2.296 2.296 173 HG SER 25 HG SER 25 -14.034 3.561 3.561 174 H GLN 26 HN GLN 26 -10.896 2.034 2.034 175 HA GLN 26 HA GLN 26 -11.743 -0.653 -0.653 176 1HB GLN 26 HB2 GLN 26 -9.748 0.921 0.921 177 2HB GLN 26 HB1 GLN 26 -10.609 -0.528 -0.528 178 1HG GLN 26 HG2 GLN 26 -12.289 1.697 1.697 179 2HG GLN 26 HG1 GLN 26 -11.501 1.969 1.969 180 1HE2 GLN 26 HE22 GLN 26 -14.230 0.248 0.248 181 2HE2 GLN 26 HE21 GLN 26 -13.394 1.718 1.718 182 H CYS 27 HN CYS 27 -8.438 0.742 0.742 183 HA CYS 27 HA CYS 27 -7.087 -1.748 -1.748 184 1HB CYS 27 HB2 CYS 27 -6.159 0.680 0.680 185 2HB CYS 27 HB1 CYS 27 -6.099 0.607 0.607 186 H ALA 28 HN ALA 28 -8.957 -0.197 -0.197 187 HA ALA 28 HA ALA 28 -7.784 -1.935 -1.935 188 1HB ALA 28 HB2 ALA 28 -9.831 0.294 0.294 189 2HB ALA 28 HB1 ALA 28 -9.308 -0.648 -0.648 190 3HB ALA 28 HB3 ALA 28 -8.152 0.368 0.368 191 H ASN 29 HN ASN 29 -10.351 -1.968 -1.968 192 HA ASN 29 HA ASN 29 -12.311 -3.352 -3.352 193 1HB ASN 29 HB2 ASN 29 -12.591 -2.100 -2.100 194 2HB ASN 29 HB1 ASN 29 -12.045 -3.614 -3.614 195 1HD2 ASN 29 HD22 ASN 29 -15.532 -3.811 -3.811 196 2HD2 ASN 29 HD21 ASN 29 -14.267 -2.827 -2.827 197 H LYS 30 HN LYS 30 -9.584 -4.354 -4.354 198 HA LYS 30 HA LYS 30 -10.268 -7.180 -7.180 199 1HB LYS 30 HB2 LYS 30 -9.264 -5.994 -5.994 200 2HB LYS 30 HB1 LYS 30 -7.738 -6.306 -6.306 201 1HG LYS 30 HG2 LYS 30 -8.811 -8.711 -8.711 202 2HG LYS 30 HG1 LYS 30 -9.736 -8.251 -8.251 203 1HD LYS 30 HD2 LYS 30 -7.728 -7.886 -7.886 204 2HD LYS 30 HD1 LYS 30 -6.718 -8.063 -8.063 205 1HE LYS 30 HE2 LYS 30 -6.603 -10.151 -10.151 206 2HE LYS 30 HE1 LYS 30 -7.628 -10.420 -10.420 207 1HZ LYS 30 HZ1 LYS 30 -8.680 -9.687 -9.687 208 2HZ LYS 30 HZ3 LYS 30 -8.480 -11.293 -11.293 209 3HZ LYS 30 HZ2 LYS 30 -9.540 -10.266 -10.266 210 H GLY 31 HN GLY 31 -7.676 -4.840 -4.840 211 1HA GLY 31 HA2 GLY 31 -6.837 -5.083 -5.083 212 2HA GLY 31 HA1 GLY 31 -6.705 -6.807 -6.807 213 H CYS 32 HN CYS 32 -5.876 -4.138 -4.138 214 HA CYS 32 HA CYS 32 -3.114 -5.207 -5.207 215 1HB CYS 32 HB2 CYS 32 -4.895 -3.900 -3.900 216 2HB CYS 32 HB1 CYS 32 -3.158 -3.623 -3.623 217 H CYS 33 HN CYS 33 -1.345 -3.771 -3.771 218 HA CYS 33 HA CYS 33 -1.847 -1.510 -1.510 219 1HB CYS 33 HB2 CYS 33 0.689 -2.247 -2.247 220 2HB CYS 33 HB1 CYS 33 0.568 -1.148 -1.148 221 H PHE 34 HN PHE 34 -2.304 0.570 0.570 222 HA PHE 34 HA PHE 34 -2.018 1.259 1.259 223 1HB PHE 34 HB2 PHE 34 -4.283 1.442 1.442 224 2HB PHE 34 HB1 PHE 34 -3.598 2.746 2.746 225 HD1 PHE 34 HD1 PHE 34 -4.346 1.669 1.669 226 HD2 PHE 34 HD2 PHE 34 -3.263 4.929 4.929 227 HE1 PHE 34 HE1 PHE 34 -4.736 3.266 3.266 228 HE2 PHE 34 HE2 PHE 34 -3.653 6.527 6.527 229 HZ PHE 34 HZ PHE 34 -4.389 5.695 5.695 230 H ASP 35 HN ASP 35 -0.072 2.258 2.258 231 HA ASP 35 HA ASP 35 0.775 4.311 4.311 232 1HB ASP 35 HB2 ASP 35 2.241 2.259 2.259 233 2HB ASP 35 HB1 ASP 35 2.574 2.694 2.694 234 H ASP 36 HN ASP 36 0.067 6.211 6.211 235 HA ASP 36 HA ASP 36 0.736 6.557 6.557 236 1HB ASP 36 HB2 ASP 36 -0.922 8.428 8.428 237 2HB ASP 36 HB1 ASP 36 -1.633 6.857 6.857 238 H THR 37 HN THR 37 2.989 6.804 6.804 239 HA THR 37 HA THR 37 3.283 9.682 9.682 240 HB THR 37 HB THR 37 5.512 8.746 8.746 241 HG1 THR 37 HG1 THR 37 5.645 6.674 6.674 242 1HG2 THR 37 HG21 THR 37 3.375 9.649 9.649 243 2HG2 THR 37 HG23 THR 37 2.982 7.953 7.953 244 3HG2 THR 37 HG22 THR 37 4.461 8.639 8.639 245 H VAL 38 HN VAL 38 4.779 6.922 6.922 246 HA VAL 38 HA VAL 38 6.578 8.808 8.808 247 HB VAL 38 HB VAL 38 6.435 5.783 5.783 248 1HG1 VAL 38 HG11 VAL 38 7.520 6.896 6.896 249 2HG1 VAL 38 HG13 VAL 38 8.578 7.771 7.771 250 3HG1 VAL 38 HG12 VAL 38 8.700 6.016 6.016 251 1HG2 VAL 38 HG21 VAL 38 6.971 6.611 6.611 252 2HG2 VAL 38 HG23 VAL 38 8.334 5.780 5.780 253 3HG2 VAL 38 HG22 VAL 38 8.307 7.544 7.544 254 H ARG 39 HN ARG 39 6.654 8.830 8.830 255 HA ARG 39 HA ARG 39 4.024 8.140 8.140 256 1HB ARG 39 HB2 ARG 39 6.016 10.325 10.325 257 2HB ARG 39 HB1 ARG 39 4.999 9.789 9.789 258 1HG ARG 39 HG2 ARG 39 3.686 11.472 11.472 259 2HG ARG 39 HG1 ARG 39 3.049 10.024 10.024 260 1HD ARG 39 HD2 ARG 39 3.399 11.514 11.514 261 2HD ARG 39 HD1 ARG 39 4.828 10.483 10.483 262 HE ARG 39 HE ARG 39 6.118 12.321 12.321 263 1HH1 ARG 39 HH21 ARG 39 2.713 12.972 12.972 264 2HH1 ARG 39 HH22 ARG 39 2.937 14.659 14.659 265 1HH2 ARG 39 HH11 ARG 39 6.389 14.535 14.535 266 2HH2 ARG 39 HH12 ARG 39 5.009 15.538 15.538 267 H GLY 40 HN GLY 40 4.141 7.478 7.478 268 1HA GLY 40 HA2 GLY 40 5.138 6.300 6.300 269 2HA GLY 40 HA1 GLY 40 6.672 6.343 6.343 270 H VAL 41 HN VAL 41 5.514 5.306 5.306 271 HA VAL 41 HA VAL 41 5.510 2.466 2.466 272 HB VAL 41 HB VAL 41 5.730 2.146 2.146 273 1HG1 VAL 41 HG12 VAL 41 7.590 3.988 3.988 274 2HG1 VAL 41 HG11 VAL 41 7.942 3.500 3.500 275 3HG1 VAL 41 HG13 VAL 41 7.807 2.283 2.283 276 1HG2 VAL 41 HG21 VAL 41 4.427 4.354 4.354 277 2HG2 VAL 41 HG23 VAL 41 5.780 3.972 3.972 278 3HG2 VAL 41 HG22 VAL 41 5.986 5.146 5.146 279 HA PRO 42 HA PRO 42 1.170 1.947 1.947 280 1HB PRO 42 HB2 PRO 42 1.233 -0.584 -0.584 281 2HB PRO 42 HB1 PRO 42 1.254 -0.253 -0.253 282 1HG PRO 42 HG2 PRO 42 3.335 -1.363 -1.363 283 2HG PRO 42 HG1 PRO 42 3.363 -1.001 -1.001 284 1HD PRO 42 HD2 PRO 42 4.497 0.542 0.542 285 2HD PRO 42 HD1 PRO 42 4.905 0.596 0.596 286 H TRP 43 HN TRP 43 -0.294 2.450 2.450 287 HA TRP 43 HA TRP 43 0.858 2.893 2.893 288 1HB TRP 43 HB2 TRP 43 -1.910 3.479 3.479 289 2HB TRP 43 HB1 TRP 43 -1.290 4.013 4.013 290 HD1 TRP 43 HD1 TRP 43 1.691 4.736 4.736 291 HE1 TRP 43 HE1 TRP 43 1.946 6.928 6.928 292 HE3 TRP 43 HE3 TRP 43 -3.178 5.545 5.545 293 HZ2 TRP 43 HZ2 TRP 43 0.303 8.783 8.783 294 HZ3 TRP 43 HZ3 TRP 43 -3.804 7.532 7.532 295 HH2 TRP 43 HH2 TRP 43 -2.072 9.151 9.151 296 H CYS 44 HN CYS 44 -1.866 0.982 0.982 297 HA CYS 44 HA CYS 44 -2.281 -0.298 -0.298 298 1HB CYS 44 HB2 CYS 44 -4.160 0.359 0.359 299 2HB CYS 44 HB1 CYS 44 -3.629 -0.977 -0.977 300 H PHE 45 HN PHE 45 -0.802 -1.877 -1.877 301 HA PHE 45 HA PHE 45 -0.340 -3.976 -3.976 302 1HB PHE 45 HB2 PHE 45 2.040 -4.063 -4.063 303 2HB PHE 45 HB1 PHE 45 1.620 -2.445 -2.445 304 HD1 PHE 45 HD2 PHE 45 0.851 -0.797 -0.797 305 HD2 PHE 45 HD1 PHE 45 3.341 -4.258 -4.258 306 HE1 PHE 45 HE2 PHE 45 1.757 0.148 0.148 307 HE2 PHE 45 HE1 PHE 45 4.249 -3.319 -3.319 308 HZ PHE 45 HZ PHE 45 3.460 -1.113 -1.113 309 H TYR 46 HN TYR 46 1.014 -5.853 -5.853 310 HA TYR 46 HA TYR 46 -0.750 -6.477 -6.477 311 1HB TYR 46 HB2 TYR 46 1.214 -8.055 -8.055 312 2HB TYR 46 HB1 TYR 46 0.587 -8.695 -8.695 313 HD1 TYR 46 HD1 TYR 46 -1.935 -8.868 -8.868 314 HD2 TYR 46 HD2 TYR 46 -0.100 -8.088 -8.088 315 HE1 TYR 46 HE1 TYR 46 -4.028 -9.542 -9.542 316 HE2 TYR 46 HE2 TYR 46 -2.193 -8.762 -8.762 317 HH TYR 46 HH TYR 46 -4.191 -10.237 -10.237 318 HA PRO 47 HA PRO 47 2.446 -5.820 -5.820 319 1HB PRO 47 HB2 PRO 47 1.490 -7.548 -7.548 320 2HB PRO 47 HB1 PRO 47 0.821 -5.947 -5.947 321 1HG PRO 47 HG2 PRO 47 -0.409 -8.492 -8.492 322 2HG PRO 47 HG1 PRO 47 -1.073 -6.888 -6.888 323 1HD PRO 47 HD2 PRO 47 0.179 -8.830 -8.830 324 2HD PRO 47 HD1 PRO 47 -0.943 -7.499 -7.499 325 H ASN 48 HN ASN 48 3.937 -7.133 -7.133 326 HA ASN 48 HA ASN 48 4.565 -9.835 -9.835 327 1HB ASN 48 HB2 ASN 48 6.423 -7.478 -7.478 328 2HB ASN 48 HB1 ASN 48 6.994 -9.147 -9.147 329 1HD2 ASN 48 HD22 ASN 48 5.370 -7.712 -7.712 330 2HD2 ASN 48 HD21 ASN 48 5.797 -6.726 -6.726 331 H THR 49 HN THR 49 4.456 -10.747 -10.747 332 HA THR 49 HA THR 49 5.224 -9.398 -9.398 333 HB THR 49 HB THR 49 5.158 -11.721 -11.721 334 HG1 THR 49 HG1 THR 49 4.687 -13.397 -13.397 335 1HG2 THR 49 HG21 THR 49 3.139 -10.288 -10.288 336 2HG2 THR 49 HG23 THR 49 2.820 -10.983 -10.983 337 3HG2 THR 49 HG22 THR 49 2.752 -12.003 -12.003 338 H ILE 50 HN ILE 50 7.361 -8.565 -8.565 339 HA ILE 50 HA ILE 50 9.459 -10.637 -10.637 340 HB ILE 50 HB ILE 50 9.663 -8.178 -8.178 341 1HG1 ILE 50 HG12 ILE 50 9.421 -11.092 -11.092 342 2HG1 ILE 50 HG11 ILE 50 8.082 -9.946 -9.946 343 1HG2 ILE 50 HG23 ILE 50 11.504 -10.444 -10.444 344 2HG2 ILE 50 HG22 ILE 50 11.678 -9.629 -9.629 345 3HG2 ILE 50 HG21 ILE 50 11.845 -8.714 -8.714 346 1HD1 ILE 50 HD11 ILE 50 10.645 -9.200 -9.200 347 2HD1 ILE 50 HD13 ILE 50 9.571 -10.350 -10.350 348 3HD1 ILE 50 HD12 ILE 50 8.991 -8.733 -8.733 349 H ASP 51 HN ASP 51 11.517 -9.707 -9.707 350 HA ASP 51 HA ASP 51 10.840 -7.571 -7.571 351 1HB ASP 51 HB2 ASP 51 11.862 -9.970 -9.970 352 2HB ASP 51 HB1 ASP 51 13.375 -9.146 -9.146 353 H VAL 52 HN VAL 52 11.809 -5.577 -5.577 354 HA VAL 52 HA VAL 52 14.321 -5.354 -5.354 355 HB VAL 52 HB VAL 52 13.386 -3.415 -3.415 356 1HG1 VAL 52 HG12 VAL 52 13.401 -5.925 -5.925 357 2HG1 VAL 52 HG11 VAL 52 11.653 -5.814 -5.814 358 3HG1 VAL 52 HG13 VAL 52 12.477 -4.757 -4.757 359 1HG2 VAL 52 HG23 VAL 52 11.499 -3.045 -3.045 360 2HG2 VAL 52 HG22 VAL 52 11.014 -3.009 -3.009 361 3HG2 VAL 52 HG21 VAL 52 10.697 -4.442 -4.442 362 HA PRO 53 HA PRO 53 15.894 -2.483 -2.483 363 1HB PRO 53 HB2 PRO 53 15.962 -0.269 -0.269 364 2HB PRO 53 HB1 PRO 53 17.307 -1.135 -1.135 365 1HG PRO 53 HG2 PRO 53 16.214 -1.446 -1.446 366 2HG PRO 53 HG1 PRO 53 17.665 -2.180 -2.180 367 1HD PRO 53 HD2 PRO 53 15.385 -3.582 -3.582 368 2HD PRO 53 HD1 PRO 53 16.574 -4.115 -4.115 369 HA PRO 54 HA PRO 54 12.465 0.174 0.174 370 1HB PRO 54 HB2 PRO 54 13.772 1.586 1.586 371 2HB PRO 54 HB1 PRO 54 13.146 -0.060 -0.060 372 1HG PRO 54 HG2 PRO 54 15.873 0.803 0.803 373 2HG PRO 54 HG1 PRO 54 15.241 -0.839 -0.839 374 1HD PRO 54 HD2 PRO 54 16.358 0.454 0.454 375 2HD PRO 54 HD1 PRO 54 16.194 -1.272 -1.272 376 H GLU 55 HN GLU 55 15.328 2.291 2.291 377 HA GLU 55 HA GLU 55 13.933 4.528 4.528 378 1HB GLU 55 HB2 GLU 55 16.810 4.231 4.231 379 2HB GLU 55 HB1 GLU 55 16.034 5.749 5.749 380 1HG GLU 55 HG2 GLU 55 14.451 5.558 5.558 381 2HG GLU 55 HG1 GLU 55 15.020 3.931 3.931 382 H GLU 56 HN GLU 56 13.993 5.096 5.096 383 HA GLU 56 HA GLU 56 15.661 3.518 3.518 384 1HB GLU 56 HB2 GLU 56 13.176 4.338 4.338 385 2HB GLU 56 HB1 GLU 56 13.954 5.821 5.821 386 1HG GLU 56 HG2 GLU 56 15.202 4.600 4.600 387 2HG GLU 56 HG1 GLU 56 14.598 3.061 3.061 388 H GLU 57 HN GLU 57 17.587 4.226 4.226 389 HA GLU 57 HA GLU 57 18.660 6.762 6.762 390 1HB GLU 57 HB2 GLU 57 19.889 4.492 4.492 391 2HB GLU 57 HB1 GLU 57 19.908 5.087 5.087 392 1HG GLU 57 HG2 GLU 57 20.829 7.287 7.287 393 2HG GLU 57 HG1 GLU 57 21.196 6.288 6.288 394 H SER 58 HN SER 58 19.597 8.350 8.350 395 HA SER 58 HA SER 58 18.193 8.380 8.380 396 1HB SER 58 HB2 SER 58 17.984 10.549 10.549 397 2HB SER 58 HB1 SER 58 17.548 10.786 10.786 398 HG SER 58 HG SER 58 16.339 8.615 8.615 399 H GLU 59 HN GLU 59 19.155 10.007 10.007 400 HA GLU 59 HA GLU 59 21.996 10.478 10.478 401 1HB GLU 59 HB2 GLU 59 20.614 10.407 10.407 402 2HB GLU 59 HB1 GLU 59 22.343 10.639 10.639 403 1HG GLU 59 HG2 GLU 59 20.840 8.213 8.213 404 2HG GLU 59 HG1 GLU 59 21.650 8.259 8.259 405 H PHE 60 HN PHE 60 22.901 12.574 12.574 406 HA PHE 60 HA PHE 60 20.891 14.732 14.732 407 1HB PHE 60 HB2 PHE 60 23.676 14.445 14.445 408 2HB PHE 60 HB1 PHE 60 23.100 16.053 16.053 409 HD1 PHE 60 HD1 PHE 60 22.038 13.005 13.005 410 HD2 PHE 60 HD2 PHE 60 21.837 17.279 17.279 411 HE1 PHE 60 HE1 PHE 60 20.758 13.128 13.128 412 HE2 PHE 60 HE2 PHE 60 20.558 17.403 17.403 413 HZ PHE 60 HZ PHE 60 20.019 15.326 15.326 Start of MODEL 9 1 1H GLU 1 HT3 GLU 1 7.613 -16.071 -16.071 2 2H GLU 1 HT2 GLU 1 8.787 -16.430 -16.430 3 3H GLU 1 HT1 GLU 1 8.049 -17.682 -17.682 4 HA GLU 1 HA GLU 1 6.207 -17.679 -17.679 5 1HB GLU 1 HB2 GLU 1 6.727 -17.053 -17.053 6 2HB GLU 1 HB1 GLU 1 7.987 -18.034 -18.034 7 1HG GLU 1 HG2 GLU 1 8.290 -15.103 -15.103 8 2HG GLU 1 HG1 GLU 1 8.485 -15.704 -15.704 9 H ALA 2 HN ALA 2 7.533 -14.495 -14.495 10 HA ALA 2 HA ALA 2 4.835 -13.372 -13.372 11 1HB ALA 2 HB3 ALA 2 6.232 -13.139 -13.139 12 2HB ALA 2 HB2 ALA 2 7.092 -11.887 -11.887 13 3HB ALA 2 HB1 ALA 2 5.356 -11.740 -11.740 14 H GLN 3 HN GLN 3 5.070 -13.220 -13.220 15 HA GLN 3 HA GLN 3 6.903 -11.026 -11.026 16 1HB GLN 3 HB2 GLN 3 6.080 -13.477 -13.477 17 2HB GLN 3 HB1 GLN 3 7.040 -12.140 -12.140 18 1HG GLN 3 HG2 GLN 3 8.895 -12.674 -12.674 19 2HG GLN 3 HG1 GLN 3 7.926 -13.525 -13.525 20 1HE2 GLN 3 HE22 GLN 3 8.697 -16.601 -16.601 21 2HE2 GLN 3 HE21 GLN 3 8.494 -15.705 -15.705 22 H THR 4 HN THR 4 5.723 -9.248 -9.248 23 HA THR 4 HA THR 4 2.903 -9.566 -9.566 24 HB THR 4 HB THR 4 3.222 -6.950 -6.950 25 HG1 THR 4 HG1 THR 4 5.204 -6.415 -6.415 26 1HG2 THR 4 HG23 THR 4 1.946 -8.161 -8.161 27 2HG2 THR 4 HG22 THR 4 3.444 -8.371 -8.371 28 3HG2 THR 4 HG21 THR 4 2.796 -6.752 -6.752 29 H GLU 5 HN GLU 5 2.152 -8.083 -8.083 30 HA GLU 5 HA GLU 5 3.779 -8.882 -8.882 31 1HB GLU 5 HB2 GLU 5 0.946 -7.922 -7.922 32 2HB GLU 5 HB1 GLU 5 1.695 -7.936 -7.936 33 1HG GLU 5 HG2 GLU 5 1.836 -10.250 -10.250 34 2HG GLU 5 HG1 GLU 5 1.896 -10.400 -10.400 35 H THR 6 HN THR 6 4.623 -7.373 -7.373 36 HA THR 6 HA THR 6 4.546 -4.550 -4.550 37 HB THR 6 HB THR 6 6.788 -5.489 -5.489 38 HG1 THR 6 HG1 THR 6 7.396 -4.186 -4.186 39 1HG2 THR 6 HG22 THR 6 6.092 -6.602 -6.602 40 2HG2 THR 6 HG21 THR 6 7.760 -6.070 -6.070 41 3HG2 THR 6 HG23 THR 6 7.083 -7.288 -7.288 42 H CYS 7 HN CYS 7 4.274 -2.922 -2.922 43 HA CYS 7 HA CYS 7 3.223 -3.989 -3.989 44 1HB CYS 7 HB2 CYS 7 2.706 -1.352 -1.352 45 2HB CYS 7 HB1 CYS 7 2.026 -1.816 -1.816 46 H THR 8 HN THR 8 5.713 -2.022 -2.022 47 HA THR 8 HA THR 8 6.327 -0.436 -0.436 48 HB THR 8 HB THR 8 7.110 0.270 0.270 49 HG1 THR 8 HG1 THR 8 8.924 0.933 0.933 50 1HG2 THR 8 HG22 THR 8 7.798 -2.524 -2.524 51 2HG2 THR 8 HG21 THR 8 9.214 -1.526 -1.526 52 3HG2 THR 8 HG23 THR 8 7.731 -1.282 -1.282 53 H VAL 9 HN VAL 9 6.707 -1.567 -1.567 54 HA VAL 9 HA VAL 9 8.749 -3.718 -3.718 55 HB VAL 9 HB VAL 9 6.612 -3.284 -3.284 56 1HG1 VAL 9 HG13 VAL 9 8.858 -5.219 -5.219 57 2HG1 VAL 9 HG12 VAL 9 7.356 -5.829 -5.829 58 3HG1 VAL 9 HG11 VAL 9 8.230 -4.520 -4.520 59 1HG2 VAL 9 HG22 VAL 9 6.746 -5.061 -5.061 60 2HG2 VAL 9 HG21 VAL 9 5.453 -3.961 -3.961 61 3HG2 VAL 9 HG23 VAL 9 5.718 -5.456 -5.456 62 H ALA 10 HN ALA 10 9.991 -3.859 -3.859 63 HA ALA 10 HA ALA 10 11.155 -1.257 -1.257 64 1HB ALA 10 HB2 ALA 10 11.646 -3.959 -3.959 65 2HB ALA 10 HB1 ALA 10 12.593 -2.515 -2.515 66 3HB ALA 10 HB3 ALA 10 12.602 -3.196 -3.196 67 HA PRO 11 HA PRO 11 8.137 0.204 0.204 68 1HB PRO 11 HB2 PRO 11 10.462 1.495 1.495 69 2HB PRO 11 HB1 PRO 11 8.996 2.222 2.222 70 1HG PRO 11 HG2 PRO 11 11.573 2.064 2.064 71 2HG PRO 11 HG1 PRO 11 10.094 2.750 2.750 72 1HD PRO 11 HD2 PRO 11 11.402 0.460 0.460 73 2HD PRO 11 HD1 PRO 11 9.738 0.930 0.930 74 H ARG 12 HN ARG 12 11.356 -1.067 -1.067 75 HA ARG 12 HA ARG 12 10.523 -1.644 -1.644 76 1HB ARG 12 HB2 ARG 12 12.940 -2.380 -2.380 77 2HB ARG 12 HB1 ARG 12 12.713 -2.973 -2.973 78 1HG ARG 12 HG2 ARG 12 12.347 -0.049 -0.049 79 2HG ARG 12 HG1 ARG 12 13.996 -0.669 -0.669 80 1HD ARG 12 HD2 ARG 12 12.206 -1.464 -1.464 81 2HD ARG 12 HD1 ARG 12 13.061 0.078 0.078 82 HE ARG 12 HE ARG 12 14.273 -2.584 -2.584 83 1HH1 ARG 12 HH11 ARG 12 14.667 0.855 0.855 84 2HH1 ARG 12 HH12 ARG 12 16.348 0.846 0.846 85 1HH2 ARG 12 HH21 ARG 12 16.475 -2.573 -2.573 86 2HH2 ARG 12 HH22 ARG 12 17.367 -1.087 -1.087 87 H GLU 13 HN GLU 13 10.990 -3.566 -3.566 88 HA GLU 13 HA GLU 13 9.821 -5.894 -5.894 89 1HB GLU 13 HB2 GLU 13 11.419 -5.591 -5.591 90 2HB GLU 13 HB1 GLU 13 10.575 -7.086 -7.086 91 1HG GLU 13 HG2 GLU 13 11.809 -6.828 -6.828 92 2HG GLU 13 HG1 GLU 13 12.903 -5.791 -5.791 93 H ARG 14 HN ARG 14 7.937 -3.952 -3.952 94 HA ARG 14 HA ARG 14 6.633 -4.554 -4.554 95 1HB ARG 14 HB2 ARG 14 6.292 -2.484 -2.484 96 2HB ARG 14 HB1 ARG 14 4.928 -2.852 -2.852 97 1HG ARG 14 HG2 ARG 14 6.792 -2.631 -2.631 98 2HG ARG 14 HG1 ARG 14 7.563 -1.617 -1.617 99 1HD ARG 14 HD2 ARG 14 5.301 -0.425 -0.425 100 2HD ARG 14 HD1 ARG 14 4.849 -1.255 -1.255 101 HE ARG 14 HE ARG 14 7.309 -0.055 -0.055 102 1HH1 ARG 14 HH11 ARG 14 4.102 0.926 0.926 103 2HH1 ARG 14 HH12 ARG 14 4.210 2.481 2.481 104 1HH2 ARG 14 HH21 ARG 14 7.430 1.987 1.987 105 2HH2 ARG 14 HH22 ARG 14 6.088 3.078 3.078 106 H GLN 15 HN GLN 15 4.538 -5.520 -5.520 107 HA GLN 15 HA GLN 15 3.893 -7.203 -7.203 108 1HB GLN 15 HB2 GLN 15 3.034 -7.156 -7.156 109 2HB GLN 15 HB1 GLN 15 2.163 -8.117 -8.117 110 1HG GLN 15 HG2 GLN 15 5.150 -8.307 -8.307 111 2HG GLN 15 HG1 GLN 15 3.959 -9.407 -9.407 112 1HE2 GLN 15 HE22 GLN 15 5.188 -9.982 -9.982 113 2HE2 GLN 15 HE21 GLN 15 5.905 -8.833 -8.833 114 H ASN 16 HN ASN 16 2.659 -6.130 -6.130 115 HA ASN 16 HA ASN 16 0.947 -3.946 -3.946 116 1HB ASN 16 HB2 ASN 16 1.942 -4.676 -4.676 117 2HB ASN 16 HB1 ASN 16 0.585 -5.798 -5.798 118 1HD2 ASN 16 HD22 ASN 16 -0.227 -2.305 -2.305 119 2HD2 ASN 16 HD21 ASN 16 1.180 -3.239 -3.239 120 H CYS 17 HN CYS 17 -1.021 -3.968 -3.968 121 HA CYS 17 HA CYS 17 -2.443 -6.550 -6.550 122 1HB CYS 17 HB2 CYS 17 -1.904 -5.246 -5.246 123 2HB CYS 17 HB1 CYS 17 -2.967 -3.968 -3.968 124 H GLY 18 HN GLY 18 -2.562 -3.460 -3.460 125 1HA GLY 18 HA2 GLY 18 -4.696 -4.134 -4.134 126 2HA GLY 18 HA1 GLY 18 -5.365 -3.193 -3.193 127 H PHE 19 HN PHE 19 -5.738 -1.822 -1.822 128 HA PHE 19 HA PHE 19 -3.502 -0.385 -0.385 129 1HB PHE 19 HB2 PHE 19 -5.311 1.257 1.257 130 2HB PHE 19 HB1 PHE 19 -5.445 -0.397 -0.397 131 HD1 PHE 19 HD1 PHE 19 -7.071 -1.981 -1.981 132 HD2 PHE 19 HD2 PHE 19 -7.021 2.234 2.234 133 HE1 PHE 19 HE1 PHE 19 -9.360 -2.140 -2.140 134 HE2 PHE 19 HE2 PHE 19 -9.312 2.069 2.069 135 HZ PHE 19 HZ PHE 19 -10.479 -0.116 -0.116 136 HA PRO 20 HA PRO 20 -2.935 2.741 2.741 137 1HB PRO 20 HB2 PRO 20 -2.346 4.940 4.940 138 2HB PRO 20 HB1 PRO 20 -1.210 3.673 3.673 139 1HG PRO 20 HG2 PRO 20 -2.256 4.221 4.221 140 2HG PRO 20 HG1 PRO 20 -1.097 2.972 2.972 141 1HD PRO 20 HD2 PRO 20 -3.961 2.712 2.712 142 2HD PRO 20 HD1 PRO 20 -2.720 1.450 1.450 143 H GLY 21 HN GLY 21 -5.211 3.619 3.619 144 1HA GLY 21 HA2 GLY 21 -6.267 5.983 5.983 145 2HA GLY 21 HA1 GLY 21 -7.170 4.855 4.855 146 H VAL 22 HN VAL 22 -6.355 2.801 2.801 147 HA VAL 22 HA VAL 22 -8.881 2.787 2.787 148 HB VAL 22 HB VAL 22 -7.779 1.227 1.227 149 1HG1 VAL 22 HG12 VAL 22 -8.657 0.528 0.528 150 2HG1 VAL 22 HG11 VAL 22 -6.998 0.634 0.634 151 3HG1 VAL 22 HG13 VAL 22 -7.413 -0.525 -0.525 152 1HG2 VAL 22 HG21 VAL 22 -5.345 2.173 2.173 153 2HG2 VAL 22 HG23 VAL 22 -5.578 2.048 2.048 154 3HG2 VAL 22 HG22 VAL 22 -5.373 0.589 0.589 155 H THR 23 HN THR 23 -9.080 2.960 2.960 156 HA THR 23 HA THR 23 -7.438 5.206 5.206 157 HB THR 23 HB THR 23 -9.632 6.014 6.014 158 HG1 THR 23 HG1 THR 23 -10.941 4.292 4.292 159 1HG2 THR 23 HG23 THR 23 -8.895 6.204 6.204 160 2HG2 THR 23 HG22 THR 23 -10.375 6.980 6.980 161 3HG2 THR 23 HG21 THR 23 -8.819 7.443 7.443 162 HA PRO 24 HA PRO 24 -6.614 3.189 3.189 163 1HB PRO 24 HB2 PRO 24 -8.345 5.067 5.067 164 2HB PRO 24 HB1 PRO 24 -6.597 4.813 4.813 165 1HG PRO 24 HG2 PRO 24 -8.006 6.872 6.872 166 2HG PRO 24 HG1 PRO 24 -6.260 6.666 6.666 167 1HD PRO 24 HD2 PRO 24 -7.581 6.399 6.399 168 2HD PRO 24 HD1 PRO 24 -6.014 5.651 5.651 169 H SER 25 HN SER 25 -9.997 4.064 4.064 170 HA SER 25 HA SER 25 -11.122 2.228 2.228 171 1HB SER 25 HB2 SER 25 -12.525 3.305 3.305 172 2HB SER 25 HB1 SER 25 -13.225 2.857 2.857 173 HG SER 25 HG SER 25 -11.285 4.715 4.715 174 H GLN 26 HN GLN 26 -10.811 2.197 2.197 175 HA GLN 26 HA GLN 26 -11.861 -0.412 -0.412 176 1HB GLN 26 HB2 GLN 26 -10.110 1.397 1.397 177 2HB GLN 26 HB1 GLN 26 -10.375 -0.269 -0.269 178 1HG GLN 26 HG2 GLN 26 -12.893 0.245 0.245 179 2HG GLN 26 HG1 GLN 26 -12.401 1.938 1.938 180 1HE2 GLN 26 HE22 GLN 26 -11.382 1.803 1.803 181 2HE2 GLN 26 HE21 GLN 26 -10.950 2.519 2.519 182 H CYS 27 HN CYS 27 -8.496 0.763 0.763 183 HA CYS 27 HA CYS 27 -7.264 -1.782 -1.782 184 1HB CYS 27 HB2 CYS 27 -6.161 0.544 0.544 185 2HB CYS 27 HB1 CYS 27 -6.232 0.444 0.444 186 H ALA 28 HN ALA 28 -8.894 -0.181 -0.181 187 HA ALA 28 HA ALA 28 -7.937 -2.135 -2.135 188 1HB ALA 28 HB1 ALA 28 -9.745 0.263 0.263 189 2HB ALA 28 HB3 ALA 28 -9.790 -0.901 -0.901 190 3HB ALA 28 HB2 ALA 28 -8.289 -0.060 -0.060 191 H ASN 29 HN ASN 29 -10.399 -2.000 -2.000 192 HA ASN 29 HA ASN 29 -12.272 -3.684 -3.684 193 1HB ASN 29 HB2 ASN 29 -12.840 -1.850 -1.850 194 2HB ASN 29 HB1 ASN 29 -12.441 -3.107 -3.107 195 1HD2 ASN 29 HD22 ASN 29 -15.751 -3.608 -3.608 196 2HD2 ASN 29 HD21 ASN 29 -14.517 -2.555 -2.555 197 H LYS 30 HN LYS 30 -9.663 -4.000 -4.000 198 HA LYS 30 HA LYS 30 -10.405 -6.762 -6.762 199 1HB LYS 30 HB2 LYS 30 -9.226 -4.911 -4.911 200 2HB LYS 30 HB1 LYS 30 -7.774 -5.595 -5.595 201 1HG LYS 30 HG2 LYS 30 -8.078 -7.663 -7.663 202 2HG LYS 30 HG1 LYS 30 -9.832 -7.487 -7.487 203 1HD LYS 30 HD2 LYS 30 -9.282 -5.539 -5.539 204 2HD LYS 30 HD1 LYS 30 -7.746 -6.389 -6.389 205 1HE LYS 30 HE2 LYS 30 -9.421 -7.146 -7.146 206 2HE LYS 30 HE1 LYS 30 -8.923 -8.452 -8.452 207 1HZ LYS 30 HZ3 LYS 30 -11.078 -7.033 -7.033 208 2HZ LYS 30 HZ2 LYS 30 -11.466 -7.543 -7.543 209 3HZ LYS 30 HZ1 LYS 30 -10.970 -8.675 -8.675 210 H GLY 31 HN GLY 31 -8.097 -4.959 -4.959 211 1HA GLY 31 HA2 GLY 31 -7.276 -6.008 -6.008 212 2HA GLY 31 HA1 GLY 31 -7.257 -7.548 -7.548 213 H CYS 32 HN CYS 32 -6.030 -4.349 -4.349 214 HA CYS 32 HA CYS 32 -3.310 -5.534 -5.534 215 1HB CYS 32 HB2 CYS 32 -4.829 -4.124 -4.124 216 2HB CYS 32 HB1 CYS 32 -3.072 -3.976 -3.976 217 H CYS 33 HN CYS 33 -1.587 -4.004 -4.004 218 HA CYS 33 HA CYS 33 -2.327 -1.805 -1.805 219 1HB CYS 33 HB2 CYS 33 0.362 -2.465 -2.465 220 2HB CYS 33 HB1 CYS 33 0.081 -1.382 -1.382 221 H PHE 34 HN PHE 34 -2.545 0.358 0.358 222 HA PHE 34 HA PHE 34 -2.102 1.044 1.044 223 1HB PHE 34 HB2 PHE 34 -4.431 1.281 1.281 224 2HB PHE 34 HB1 PHE 34 -3.816 2.479 2.479 225 HD1 PHE 34 HD2 PHE 34 -4.536 1.756 1.756 226 HD2 PHE 34 HD1 PHE 34 -3.058 4.673 4.673 227 HE1 PHE 34 HE2 PHE 34 -4.715 3.511 3.511 228 HE2 PHE 34 HE1 PHE 34 -3.236 6.427 6.427 229 HZ PHE 34 HZ PHE 34 -4.065 5.847 5.847 230 H ASP 35 HN ASP 35 -0.412 2.406 2.406 231 HA ASP 35 HA ASP 35 0.423 4.302 4.302 232 1HB ASP 35 HB2 ASP 35 1.838 2.125 2.125 233 2HB ASP 35 HB1 ASP 35 2.463 2.788 2.788 234 H ASP 36 HN ASP 36 0.310 6.306 6.306 235 HA ASP 36 HA ASP 36 0.912 6.519 6.519 236 1HB ASP 36 HB2 ASP 36 -0.447 8.655 8.655 237 2HB ASP 36 HB1 ASP 36 -1.368 7.173 7.173 238 H THR 37 HN THR 37 3.226 6.509 6.509 239 HA THR 37 HA THR 37 3.918 9.173 9.173 240 HB THR 37 HB THR 37 6.203 8.036 8.036 241 HG1 THR 37 HG1 THR 37 5.292 5.579 5.579 242 1HG2 THR 37 HG22 THR 37 4.201 8.281 8.281 243 2HG2 THR 37 HG21 THR 37 4.099 6.531 6.531 244 3HG2 THR 37 HG23 THR 37 5.589 7.267 7.267 245 H VAL 38 HN VAL 38 5.576 6.914 6.914 246 HA VAL 38 HA VAL 38 6.422 9.262 9.262 247 HB VAL 38 HB VAL 38 7.256 6.359 6.359 248 1HG1 VAL 38 HG13 VAL 38 8.038 8.938 8.938 249 2HG1 VAL 38 HG12 VAL 38 9.302 7.745 7.745 250 3HG1 VAL 38 HG11 VAL 38 7.913 7.324 7.324 251 1HG2 VAL 38 HG21 VAL 38 8.179 8.595 8.595 252 2HG2 VAL 38 HG23 VAL 38 8.140 6.861 6.861 253 3HG2 VAL 38 HG22 VAL 38 9.409 7.543 7.543 254 H ARG 39 HN ARG 39 6.136 9.267 9.267 255 HA ARG 39 HA ARG 39 3.621 7.955 7.955 256 1HB ARG 39 HB2 ARG 39 4.052 10.427 10.427 257 2HB ARG 39 HB1 ARG 39 5.258 9.949 9.949 258 1HG ARG 39 HG2 ARG 39 3.678 9.130 9.130 259 2HG ARG 39 HG1 ARG 39 2.537 8.726 8.726 260 1HD ARG 39 HD2 ARG 39 1.551 10.601 10.601 261 2HD ARG 39 HD1 ARG 39 2.370 11.290 11.290 262 HE ARG 39 HE ARG 39 3.283 11.489 11.489 263 1HH1 ARG 39 HH21 ARG 39 3.603 12.290 12.290 264 2HH1 ARG 39 HH22 ARG 39 4.711 13.591 13.591 265 1HH2 ARG 39 HH11 ARG 39 4.736 13.197 13.197 266 2HH2 ARG 39 HH12 ARG 39 5.349 14.101 14.101 267 H GLY 40 HN GLY 40 3.694 7.342 7.342 268 1HA GLY 40 HA2 GLY 40 4.696 6.101 6.101 269 2HA GLY 40 HA1 GLY 40 6.223 6.177 6.177 270 H VAL 41 HN VAL 41 5.430 5.115 5.115 271 HA VAL 41 HA VAL 41 5.227 2.291 2.291 272 HB VAL 41 HB VAL 41 5.605 1.956 1.956 273 1HG1 VAL 41 HG11 VAL 41 7.405 3.588 3.588 274 2HG1 VAL 41 HG13 VAL 41 7.863 3.370 3.370 275 3HG1 VAL 41 HG12 VAL 41 7.641 1.965 1.965 276 1HG2 VAL 41 HG23 VAL 41 4.430 4.151 4.151 277 2HG2 VAL 41 HG22 VAL 41 5.931 3.824 3.824 278 3HG2 VAL 41 HG21 VAL 41 5.919 4.965 4.965 279 HA PRO 42 HA PRO 42 0.967 1.848 1.848 280 1HB PRO 42 HB2 PRO 42 1.079 -0.743 -0.743 281 2HB PRO 42 HB1 PRO 42 0.966 -0.319 -0.319 282 1HG PRO 42 HG2 PRO 42 3.145 -1.551 -1.551 283 2HG PRO 42 HG1 PRO 42 3.049 -1.072 -1.072 284 1HD PRO 42 HD2 PRO 42 4.357 0.314 0.314 285 2HD PRO 42 HD1 PRO 42 4.667 0.454 0.454 286 H TRP 43 HN TRP 43 -0.318 2.342 2.342 287 HA TRP 43 HA TRP 43 1.024 2.530 2.530 288 1HB TRP 43 HB2 TRP 43 -1.826 3.263 3.263 289 2HB TRP 43 HB1 TRP 43 -0.931 3.780 3.780 290 HD1 TRP 43 HD1 TRP 43 1.817 4.520 4.520 291 HE1 TRP 43 HE1 TRP 43 1.927 6.644 6.644 292 HE3 TRP 43 HE3 TRP 43 -3.155 5.191 5.191 293 HZ2 TRP 43 HZ2 TRP 43 0.145 8.397 8.397 294 HZ3 TRP 43 HZ3 TRP 43 -3.918 7.094 7.094 295 HH2 TRP 43 HH2 TRP 43 -2.276 8.697 8.697 296 H CYS 44 HN CYS 44 -1.951 0.970 0.970 297 HA CYS 44 HA CYS 44 -2.365 -0.521 -0.521 298 1HB CYS 44 HB2 CYS 44 -4.166 0.205 0.205 299 2HB CYS 44 HB1 CYS 44 -3.588 -1.100 -1.100 300 H PHE 45 HN PHE 45 -0.739 -1.990 -1.990 301 HA PHE 45 HA PHE 45 -0.236 -4.064 -4.064 302 1HB PHE 45 HB2 PHE 45 2.178 -4.095 -4.095 303 2HB PHE 45 HB1 PHE 45 1.733 -2.732 -2.732 304 HD1 PHE 45 HD2 PHE 45 1.797 -3.721 -3.721 305 HD2 PHE 45 HD1 PHE 45 2.214 -0.571 -0.571 306 HE1 PHE 45 HE2 PHE 45 2.440 -2.150 -2.150 307 HE2 PHE 45 HE1 PHE 45 2.859 1.000 1.000 308 HZ PHE 45 HZ PHE 45 2.972 0.210 0.210 309 H TYR 46 HN TYR 46 1.197 -5.894 -5.894 310 HA TYR 46 HA TYR 46 -0.488 -6.599 -6.599 311 1HB TYR 46 HB2 TYR 46 1.444 -8.138 -8.138 312 2HB TYR 46 HB1 TYR 46 0.783 -8.815 -8.815 313 HD1 TYR 46 HD2 TYR 46 -1.671 -9.154 -9.154 314 HD2 TYR 46 HD1 TYR 46 0.089 -7.879 -7.879 315 HE1 TYR 46 HE2 TYR 46 -3.757 -9.759 -9.759 316 HE2 TYR 46 HE1 TYR 46 -1.996 -8.483 -8.483 317 HH TYR 46 HH TYR 46 -4.019 -10.324 -10.324 318 HA PRO 47 HA PRO 47 2.864 -6.021 -6.021 319 1HB PRO 47 HB2 PRO 47 1.965 -7.751 -7.751 320 2HB PRO 47 HB1 PRO 47 1.307 -6.134 -6.134 321 1HG PRO 47 HG2 PRO 47 0.020 -8.659 -8.659 322 2HG PRO 47 HG1 PRO 47 -0.634 -7.039 -7.039 323 1HD PRO 47 HD2 PRO 47 0.493 -8.970 -8.970 324 2HD PRO 47 HD1 PRO 47 -0.620 -7.613 -7.613 325 H ASN 48 HN ASN 48 3.980 -7.796 -7.796 326 HA ASN 48 HA ASN 48 4.731 -10.266 -10.266 327 1HB ASN 48 HB2 ASN 48 6.510 -7.863 -7.863 328 2HB ASN 48 HB1 ASN 48 7.242 -9.450 -9.450 329 1HD2 ASN 48 HD22 ASN 48 6.334 -8.322 -8.322 330 2HD2 ASN 48 HD21 ASN 48 6.399 -7.252 -7.252 331 H THR 49 HN THR 49 4.733 -11.715 -11.715 332 HA THR 49 HA THR 49 4.848 -10.912 -10.912 333 HB THR 49 HB THR 49 5.292 -13.492 -13.492 334 HG1 THR 49 HG1 THR 49 4.124 -13.733 -13.733 335 1HG2 THR 49 HG23 THR 49 3.122 -12.167 -12.167 336 2HG2 THR 49 HG22 THR 49 2.735 -12.644 -12.644 337 3HG2 THR 49 HG21 THR 49 2.947 -13.874 -13.874 338 H ILE 50 HN ILE 50 6.774 -9.785 -9.785 339 HA ILE 50 HA ILE 50 9.239 -11.428 -11.428 340 HB ILE 50 HB ILE 50 9.073 -8.421 -8.421 341 1HG1 ILE 50 HG12 ILE 50 9.655 -10.538 -10.538 342 2HG1 ILE 50 HG11 ILE 50 8.072 -9.786 -9.786 343 1HG2 ILE 50 HG23 ILE 50 11.297 -10.459 -10.459 344 2HG2 ILE 50 HG22 ILE 50 11.455 -8.931 -8.931 345 3HG2 ILE 50 HG21 ILE 50 11.215 -8.931 -8.931 346 1HD1 ILE 50 HD11 ILE 50 9.186 -7.543 -7.543 347 2HD1 ILE 50 HD13 ILE 50 10.671 -8.398 -8.398 348 3HD1 ILE 50 HD12 ILE 50 9.242 -8.565 -8.565 349 H ASP 51 HN ASP 51 10.952 -10.522 -10.522 350 HA ASP 51 HA ASP 51 9.709 -10.390 -10.390 351 1HB ASP 51 HB2 ASP 51 12.069 -10.163 -10.163 352 2HB ASP 51 HB1 ASP 51 11.832 -11.552 -11.552 353 H VAL 52 HN VAL 52 11.057 -8.565 -8.565 354 HA VAL 52 HA VAL 52 9.998 -6.044 -6.044 355 HB VAL 52 HB VAL 52 10.602 -5.194 -5.194 356 1HG1 VAL 52 HG12 VAL 52 8.970 -7.735 -7.735 357 2HG1 VAL 52 HG11 VAL 52 8.999 -6.731 -6.731 358 3HG1 VAL 52 HG13 VAL 52 8.383 -6.072 -6.072 359 1HG2 VAL 52 HG21 VAL 52 12.546 -6.737 -6.737 360 2HG2 VAL 52 HG23 VAL 52 11.418 -6.773 -6.773 361 3HG2 VAL 52 HG22 VAL 52 11.413 -8.079 -8.079 362 HA PRO 53 HA PRO 53 13.581 -4.182 -4.182 363 1HB PRO 53 HB2 PRO 53 13.399 -1.967 -1.967 364 2HB PRO 53 HB1 PRO 53 13.191 -1.951 -1.951 365 1HG PRO 53 HG2 PRO 53 11.172 -1.974 -1.974 366 2HG PRO 53 HG1 PRO 53 10.972 -1.840 -1.840 367 1HD PRO 53 HD2 PRO 53 10.170 -4.020 -4.020 368 2HD PRO 53 HD1 PRO 53 10.543 -4.075 -4.075 369 HA PRO 54 HA PRO 54 17.363 -5.257 -5.257 370 1HB PRO 54 HB2 PRO 54 18.276 -2.463 -2.463 371 2HB PRO 54 HB1 PRO 54 18.958 -3.899 -3.899 372 1HG PRO 54 HG2 PRO 54 17.271 -1.880 -1.880 373 2HG PRO 54 HG1 PRO 54 18.027 -3.270 -3.270 374 1HD PRO 54 HD2 PRO 54 15.306 -2.984 -2.984 375 2HD PRO 54 HD1 PRO 54 16.128 -4.541 -4.541 376 H GLU 55 HN GLU 55 16.256 -1.964 -1.964 377 HA GLU 55 HA GLU 55 16.550 -2.860 -2.860 378 1HB GLU 55 HB2 GLU 55 17.261 -0.169 -0.169 379 2HB GLU 55 HB1 GLU 55 17.223 -0.508 -0.508 380 1HG GLU 55 HG2 GLU 55 18.836 -2.450 -2.450 381 2HG GLU 55 HG1 GLU 55 19.070 -1.663 -1.663 382 H GLU 56 HN GLU 56 15.038 -1.817 -1.817 383 HA GLU 56 HA GLU 56 12.537 -1.055 -1.055 384 1HB GLU 56 HB2 GLU 56 13.256 -2.176 -2.176 385 2HB GLU 56 HB1 GLU 56 11.783 -1.214 -1.214 386 1HG GLU 56 HG2 GLU 56 12.324 -3.378 -3.378 387 2HG GLU 56 HG1 GLU 56 11.670 -3.803 -3.803 388 H GLU 57 HN GLU 57 12.665 1.146 1.146 389 HA GLU 57 HA GLU 57 12.784 2.940 2.940 390 1HB GLU 57 HB2 GLU 57 15.110 2.593 2.593 391 2HB GLU 57 HB1 GLU 57 14.406 3.720 3.720 392 1HG GLU 57 HG2 GLU 57 13.928 5.300 5.300 393 2HG GLU 57 HG1 GLU 57 14.710 4.188 4.188 394 H SER 58 HN SER 58 10.714 3.756 3.756 395 HA SER 58 HA SER 58 10.223 5.242 5.242 396 1HB SER 58 HB2 SER 58 7.895 4.299 4.299 397 2HB SER 58 HB1 SER 58 9.149 3.113 3.113 398 HG SER 58 HG SER 58 8.114 2.063 2.063 399 H GLU 59 HN GLU 59 9.083 7.153 7.153 400 HA GLU 59 HA GLU 59 8.332 7.647 7.647 401 1HB GLU 59 HB2 GLU 59 8.478 10.059 10.059 402 2HB GLU 59 HB1 GLU 59 10.003 9.196 9.196 403 1HG GLU 59 HG2 GLU 59 9.373 8.825 8.825 404 2HG GLU 59 HG1 GLU 59 8.014 9.922 9.922 405 H PHE 60 HN PHE 60 6.296 8.751 8.751 406 HA PHE 60 HA PHE 60 4.352 8.527 8.527 407 1HB PHE 60 HB2 PHE 60 3.853 8.017 8.017 408 2HB PHE 60 HB1 PHE 60 2.661 7.883 7.883 409 HD1 PHE 60 HD2 PHE 60 2.964 6.149 6.149 410 HD2 PHE 60 HD1 PHE 60 5.424 6.267 6.267 411 HE1 PHE 60 HE2 PHE 60 3.688 3.816 3.816 412 HE2 PHE 60 HE1 PHE 60 6.148 3.935 3.935 413 HZ PHE 60 HZ PHE 60 5.280 2.709 2.709 Start of MODEL 10 1 1H GLU 1 HT3 GLU 1 3.894 -13.646 -13.646 2 2H GLU 1 HT2 GLU 1 4.828 -14.706 -14.706 3 3H GLU 1 HT1 GLU 1 4.145 -15.240 -15.240 4 HA GLU 1 HA GLU 1 5.626 -14.126 -14.126 5 1HB GLU 1 HB2 GLU 1 6.806 -15.204 -15.204 6 2HB GLU 1 HB1 GLU 1 7.871 -14.295 -14.295 7 1HG GLU 1 HG2 GLU 1 6.092 -16.490 -16.490 8 2HG GLU 1 HG1 GLU 1 7.685 -16.845 -16.845 9 H ALA 2 HN ALA 2 6.361 -12.933 -12.933 10 HA ALA 2 HA ALA 2 5.907 -10.192 -10.192 11 1HB ALA 2 HB3 ALA 2 8.074 -10.570 -10.570 12 2HB ALA 2 HB2 ALA 2 8.768 -11.121 -11.121 13 3HB ALA 2 HB1 ALA 2 8.249 -9.444 -9.444 14 H GLN 3 HN GLN 3 4.996 -11.930 -11.930 15 HA GLN 3 HA GLN 3 6.427 -10.863 -10.863 16 1HB GLN 3 HB2 GLN 3 4.775 -13.299 -13.299 17 2HB GLN 3 HB1 GLN 3 4.759 -12.621 -12.621 18 1HG GLN 3 HG2 GLN 3 6.545 -14.218 -14.218 19 2HG GLN 3 HG1 GLN 3 7.302 -12.626 -12.626 20 1HE2 GLN 3 HE22 GLN 3 7.593 -15.128 -15.128 21 2HE2 GLN 3 HE21 GLN 3 6.596 -15.528 -15.528 22 H THR 4 HN THR 4 5.362 -9.492 -9.492 23 HA THR 4 HA THR 4 2.465 -9.087 -9.087 24 HB THR 4 HB THR 4 2.898 -6.583 -6.583 25 HG1 THR 4 HG1 THR 4 5.310 -7.369 -7.369 26 1HG2 THR 4 HG21 THR 4 2.346 -7.915 -7.915 27 2HG2 THR 4 HG23 THR 4 4.075 -7.935 -7.935 28 3HG2 THR 4 HG22 THR 4 3.207 -6.401 -6.401 29 H GLU 5 HN GLU 5 1.716 -7.436 -7.436 30 HA GLU 5 HA GLU 5 2.793 -8.492 -8.492 31 1HB GLU 5 HB2 GLU 5 0.389 -6.843 -6.843 32 2HB GLU 5 HB1 GLU 5 0.886 -6.987 -6.987 33 1HG GLU 5 HG2 GLU 5 0.592 -9.454 -9.454 34 2HG GLU 5 HG1 GLU 5 -0.832 -8.711 -8.711 35 H THR 6 HN THR 6 3.859 -7.238 -7.238 36 HA THR 6 HA THR 6 4.332 -4.395 -4.395 37 HB THR 6 HB THR 6 6.568 -6.048 -6.048 38 HG1 THR 6 HG1 THR 6 7.163 -6.669 -6.669 39 1HG2 THR 6 HG21 THR 6 6.341 -3.418 -3.418 40 2HG2 THR 6 HG23 THR 6 6.869 -3.927 -3.927 41 3HG2 THR 6 HG22 THR 6 7.872 -4.273 -4.273 42 H CYS 7 HN CYS 7 4.185 -3.058 -3.058 43 HA CYS 7 HA CYS 7 3.787 -4.402 -4.402 44 1HB CYS 7 HB2 CYS 7 3.019 -1.598 -1.598 45 2HB CYS 7 HB1 CYS 7 2.595 -2.367 -2.367 46 H THR 8 HN THR 8 6.440 -3.772 -3.772 47 HA THR 8 HA THR 8 7.477 -1.505 -1.505 48 HB THR 8 HB THR 8 8.437 -2.057 -2.057 49 HG1 THR 8 HG1 THR 8 9.888 -1.182 -1.182 50 1HG2 THR 8 HG23 THR 8 7.963 -4.607 -4.607 51 2HG2 THR 8 HG22 THR 8 9.606 -4.585 -4.585 52 3HG2 THR 8 HG21 THR 8 9.306 -4.138 -4.138 53 H VAL 9 HN VAL 9 7.948 -1.641 -1.641 54 HA VAL 9 HA VAL 9 9.292 -4.049 -4.049 55 HB VAL 9 HB VAL 9 6.765 -2.986 -2.986 56 1HG1 VAL 9 HG13 VAL 9 8.771 -5.127 -5.127 57 2HG1 VAL 9 HG12 VAL 9 7.095 -5.311 -5.311 58 3HG1 VAL 9 HG11 VAL 9 8.040 -3.925 -3.925 59 1HG2 VAL 9 HG21 VAL 9 7.274 -5.453 -5.453 60 2HG2 VAL 9 HG23 VAL 9 6.159 -4.133 -4.133 61 3HG2 VAL 9 HG22 VAL 9 5.832 -5.225 -5.225 62 H ALA 10 HN ALA 10 10.398 -3.643 -3.643 63 HA ALA 10 HA ALA 10 11.148 -0.846 -0.846 64 1HB ALA 10 HB2 ALA 10 12.576 -3.111 -3.111 65 2HB ALA 10 HB1 ALA 10 12.089 -2.901 -2.901 66 3HB ALA 10 HB3 ALA 10 12.996 -1.631 -1.631 67 HA PRO 11 HA PRO 11 8.476 0.750 0.750 68 1HB PRO 11 HB2 PRO 11 10.793 1.061 1.061 69 2HB PRO 11 HB1 PRO 11 9.721 2.295 2.295 70 1HG PRO 11 HG2 PRO 11 12.332 1.527 1.527 71 2HG PRO 11 HG1 PRO 11 11.276 2.793 2.793 72 1HD PRO 11 HD2 PRO 11 11.958 0.482 0.482 73 2HD PRO 11 HD1 PRO 11 10.521 1.469 1.469 74 H ARG 12 HN ARG 12 11.153 -1.022 -1.022 75 HA ARG 12 HA ARG 12 9.386 -2.067 -2.067 76 1HB ARG 12 HB2 ARG 12 11.378 -3.492 -3.492 77 2HB ARG 12 HB1 ARG 12 11.711 -1.762 -1.762 78 1HG ARG 12 HG2 ARG 12 13.133 -1.946 -1.946 79 2HG ARG 12 HG1 ARG 12 12.106 -3.115 -3.115 80 1HD ARG 12 HD2 ARG 12 13.783 -4.567 -4.567 81 2HD ARG 12 HD1 ARG 12 12.948 -4.623 -4.623 82 HE ARG 12 HE ARG 12 14.646 -3.262 -3.262 83 1HH1 ARG 12 HH11 ARG 12 15.012 -3.705 -3.705 84 2HH1 ARG 12 HH12 ARG 12 16.632 -3.090 -3.090 85 1HH2 ARG 12 HH21 ARG 12 16.767 -2.459 -2.459 86 2HH2 ARG 12 HH22 ARG 12 17.620 -2.388 -2.388 87 H GLU 13 HN GLU 13 10.548 -3.231 -3.231 88 HA GLU 13 HA GLU 13 9.629 -5.944 -5.944 89 1HB GLU 13 HB2 GLU 13 10.762 -4.434 -4.434 90 2HB GLU 13 HB1 GLU 13 9.995 -6.002 -6.002 91 1HG GLU 13 HG2 GLU 13 11.498 -6.957 -6.957 92 2HG GLU 13 HG1 GLU 13 12.333 -5.404 -5.404 93 H ARG 14 HN ARG 14 7.928 -3.145 -3.145 94 HA ARG 14 HA ARG 14 6.026 -3.894 -3.894 95 1HB ARG 14 HB2 ARG 14 6.026 -1.831 -1.831 96 2HB ARG 14 HB1 ARG 14 4.652 -2.054 -2.054 97 1HG ARG 14 HG2 ARG 14 6.473 -1.866 -1.866 98 2HG ARG 14 HG1 ARG 14 7.417 -1.069 -1.069 99 1HD ARG 14 HD2 ARG 14 5.801 0.652 0.652 100 2HD ARG 14 HD1 ARG 14 4.576 -0.252 -0.252 101 HE ARG 14 HE ARG 14 6.602 0.099 0.099 102 1HH1 ARG 14 HH11 ARG 14 4.737 2.195 2.195 103 2HH1 ARG 14 HH12 ARG 14 4.826 3.550 3.550 104 1HH2 ARG 14 HH21 ARG 14 6.703 1.887 1.887 105 2HH2 ARG 14 HH22 ARG 14 5.934 3.375 3.375 106 H GLN 15 HN GLN 15 4.278 -5.245 -5.245 107 HA GLN 15 HA GLN 15 3.807 -6.467 -6.467 108 1HB GLN 15 HB2 GLN 15 2.657 -6.993 -6.993 109 2HB GLN 15 HB1 GLN 15 2.198 -7.892 -7.892 110 1HG GLN 15 HG2 GLN 15 5.113 -7.635 -7.635 111 2HG GLN 15 HG1 GLN 15 4.189 -8.704 -8.704 112 1HE2 GLN 15 HE21 GLN 15 5.115 -8.153 -8.153 113 2HE2 GLN 15 HE22 GLN 15 4.731 -9.719 -9.719 114 H ASN 16 HN ASN 16 2.524 -5.254 -5.254 115 HA ASN 16 HA ASN 16 0.719 -3.256 -3.256 116 1HB ASN 16 HB2 ASN 16 1.689 -3.685 -3.685 117 2HB ASN 16 HB1 ASN 16 0.417 -4.891 -4.891 118 1HD2 ASN 16 HD22 ASN 16 -0.638 -1.307 -1.307 119 2HD2 ASN 16 HD21 ASN 16 0.852 -2.084 -2.084 120 H CYS 17 HN CYS 17 -0.935 -3.724 -3.724 121 HA CYS 17 HA CYS 17 -2.419 -6.229 -6.229 122 1HB CYS 17 HB2 CYS 17 -1.760 -4.792 -4.792 123 2HB CYS 17 HB1 CYS 17 -3.303 -4.022 -4.022 124 H GLY 18 HN GLY 18 -2.575 -3.020 -3.020 125 1HA GLY 18 HA2 GLY 18 -4.816 -3.503 -3.503 126 2HA GLY 18 HA1 GLY 18 -5.364 -2.617 -2.617 127 H PHE 19 HN PHE 19 -5.521 -1.398 -1.398 128 HA PHE 19 HA PHE 19 -3.265 0.137 0.137 129 1HB PHE 19 HB2 PHE 19 -5.034 1.728 1.728 130 2HB PHE 19 HB1 PHE 19 -5.031 0.074 0.074 131 HD1 PHE 19 HD2 PHE 19 -6.707 -1.576 -1.576 132 HD2 PHE 19 HD1 PHE 19 -6.930 2.640 2.640 133 HE1 PHE 19 HE2 PHE 19 -9.080 -1.829 -1.829 134 HE2 PHE 19 HE1 PHE 19 -9.312 2.384 2.384 135 HZ PHE 19 HZ PHE 19 -10.381 0.150 0.150 136 HA PRO 20 HA PRO 20 -3.095 3.316 3.316 137 1HB PRO 20 HB2 PRO 20 -2.485 5.542 5.542 138 2HB PRO 20 HB1 PRO 20 -1.331 4.343 4.343 139 1HG PRO 20 HG2 PRO 20 -2.158 4.816 4.816 140 2HG PRO 20 HG1 PRO 20 -0.984 3.635 3.635 141 1HD PRO 20 HD2 PRO 20 -3.755 3.214 3.214 142 2HD PRO 20 HD1 PRO 20 -2.470 2.022 2.022 143 H GLY 21 HN GLY 21 -5.174 4.090 4.090 144 1HA GLY 21 HA2 GLY 21 -6.459 6.366 6.366 145 2HA GLY 21 HA1 GLY 21 -7.159 5.278 5.278 146 H VAL 22 HN VAL 22 -6.415 3.192 3.192 147 HA VAL 22 HA VAL 22 -9.083 2.782 2.782 148 HB VAL 22 HB VAL 22 -8.058 1.386 1.386 149 1HG1 VAL 22 HG13 VAL 22 -6.857 1.064 1.064 150 2HG1 VAL 22 HG12 VAL 22 -6.950 -0.200 -0.200 151 3HG1 VAL 22 HG11 VAL 22 -8.427 0.454 0.454 152 1HG2 VAL 22 HG21 VAL 22 -5.552 2.674 2.674 153 2HG2 VAL 22 HG23 VAL 22 -6.094 2.605 2.605 154 3HG2 VAL 22 HG22 VAL 22 -5.507 1.145 1.145 155 H THR 23 HN THR 23 -9.282 2.649 2.649 156 HA THR 23 HA THR 23 -8.460 5.255 5.255 157 HB THR 23 HB THR 23 -10.943 5.325 5.325 158 HG1 THR 23 HG1 THR 23 -11.336 3.269 3.269 159 1HG2 THR 23 HG21 THR 23 -9.759 6.964 6.964 160 2HG2 THR 23 HG23 THR 23 -10.393 6.038 6.038 161 3HG2 THR 23 HG22 THR 23 -11.500 6.843 6.843 162 HA PRO 24 HA PRO 24 -7.488 3.383 3.383 163 1HB PRO 24 HB2 PRO 24 -9.682 4.816 4.816 164 2HB PRO 24 HB1 PRO 24 -7.935 4.949 4.949 165 1HG PRO 24 HG2 PRO 24 -9.663 6.671 6.671 166 2HG PRO 24 HG1 PRO 24 -7.933 6.852 6.852 167 1HD PRO 24 HD2 PRO 24 -8.991 6.340 6.340 168 2HD PRO 24 HD1 PRO 24 -7.327 5.953 5.953 169 H SER 25 HN SER 25 -10.933 3.544 3.544 170 HA SER 25 HA SER 25 -11.741 1.449 1.449 171 1HB SER 25 HB2 SER 25 -13.243 3.268 3.268 172 2HB SER 25 HB1 SER 25 -13.196 2.379 2.379 173 HG SER 25 HG SER 25 -13.700 0.736 0.736 174 H GLN 26 HN GLN 26 -11.199 1.622 1.622 175 HA GLN 26 HA GLN 26 -11.731 -1.115 -1.115 176 1HB GLN 26 HB2 GLN 26 -10.132 0.995 0.995 177 2HB GLN 26 HB1 GLN 26 -10.216 -0.660 -0.660 178 1HG GLN 26 HG2 GLN 26 -12.596 -0.548 -0.548 179 2HG GLN 26 HG1 GLN 26 -12.683 0.961 0.961 180 1HE2 GLN 26 HE22 GLN 26 -12.169 1.150 1.150 181 2HE2 GLN 26 HE21 GLN 26 -12.674 -0.248 -0.248 182 H CYS 27 HN CYS 27 -8.700 0.615 0.615 183 HA CYS 27 HA CYS 27 -7.025 -1.685 -1.685 184 1HB CYS 27 HB2 CYS 27 -6.421 0.869 0.869 185 2HB CYS 27 HB1 CYS 27 -6.399 0.574 0.574 186 H ALA 28 HN ALA 28 -9.090 -0.441 -0.441 187 HA ALA 28 HA ALA 28 -7.925 -2.288 -2.288 188 1HB ALA 28 HB3 ALA 28 -8.636 0.030 0.030 189 2HB ALA 28 HB2 ALA 28 -10.300 -0.427 -0.427 190 3HB ALA 28 HB1 ALA 28 -9.428 -1.230 -1.230 191 H ASN 29 HN ASN 29 -10.218 -2.458 -2.458 192 HA ASN 29 HA ASN 29 -12.313 -3.935 -3.935 193 1HB ASN 29 HB2 ASN 29 -12.164 -2.889 -2.889 194 2HB ASN 29 HB1 ASN 29 -11.368 -4.397 -4.397 195 1HD2 ASN 29 HD22 ASN 29 -15.190 -4.596 -4.596 196 2HD2 ASN 29 HD21 ASN 29 -14.117 -3.370 -3.370 197 H LYS 30 HN LYS 30 -9.378 -5.061 -5.061 198 HA LYS 30 HA LYS 30 -9.905 -7.801 -7.801 199 1HB LYS 30 HB2 LYS 30 -7.762 -6.556 -6.556 200 2HB LYS 30 HB1 LYS 30 -7.782 -8.264 -8.264 201 1HG LYS 30 HG2 LYS 30 -9.059 -8.521 -8.521 202 2HG LYS 30 HG1 LYS 30 -10.365 -7.886 -7.886 203 1HD LYS 30 HD2 LYS 30 -10.543 -6.275 -6.275 204 2HD LYS 30 HD1 LYS 30 -9.112 -5.575 -5.575 205 1HE LYS 30 HE2 LYS 30 -9.165 -7.487 -7.487 206 2HE LYS 30 HE1 LYS 30 -8.709 -5.786 -5.786 207 1HZ LYS 30 HZ3 LYS 30 -6.952 -6.366 -6.366 208 2HZ LYS 30 HZ2 LYS 30 -7.323 -8.004 -8.004 209 3HZ LYS 30 HZ1 LYS 30 -6.753 -7.042 -7.042 210 H GLY 31 HN GLY 31 -7.516 -5.188 -5.188 211 1HA GLY 31 HA2 GLY 31 -6.798 -5.088 -5.088 212 2HA GLY 31 HA1 GLY 31 -6.421 -6.800 -6.800 213 H CYS 32 HN CYS 32 -5.841 -4.712 -4.712 214 HA CYS 32 HA CYS 32 -3.018 -5.338 -5.338 215 1HB CYS 32 HB2 CYS 32 -4.352 -3.289 -3.289 216 2HB CYS 32 HB1 CYS 32 -2.873 -4.188 -4.188 217 H CYS 33 HN CYS 33 -1.345 -4.003 -4.003 218 HA CYS 33 HA CYS 33 -1.961 -1.861 -1.861 219 1HB CYS 33 HB2 CYS 33 0.672 -2.481 -2.481 220 2HB CYS 33 HB1 CYS 33 0.458 -1.490 -1.490 221 H PHE 34 HN PHE 34 -1.948 0.383 0.383 222 HA PHE 34 HA PHE 34 -1.729 1.230 1.230 223 1HB PHE 34 HB2 PHE 34 -3.959 1.501 1.501 224 2HB PHE 34 HB1 PHE 34 -3.159 2.691 2.691 225 HD1 PHE 34 HD2 PHE 34 -1.898 4.622 4.622 226 HD2 PHE 34 HD1 PHE 34 -4.837 2.146 2.146 227 HE1 PHE 34 HE2 PHE 34 -2.210 6.350 6.350 228 HE2 PHE 34 HE1 PHE 34 -5.148 3.873 3.873 229 HZ PHE 34 HZ PHE 34 -3.834 5.975 5.975 230 H ASP 35 HN ASP 35 -0.390 3.023 3.023 231 HA ASP 35 HA ASP 35 0.788 4.616 4.616 232 1HB ASP 35 HB2 ASP 35 2.086 2.395 2.395 233 2HB ASP 35 HB1 ASP 35 2.688 2.918 2.918 234 H ASP 36 HN ASP 36 0.733 6.610 6.610 235 HA ASP 36 HA ASP 36 1.231 6.770 6.770 236 1HB ASP 36 HB2 ASP 36 0.183 9.060 9.060 237 2HB ASP 36 HB1 ASP 36 -0.903 7.719 7.719 238 H THR 37 HN THR 37 3.598 6.418 6.418 239 HA THR 37 HA THR 37 4.755 8.886 8.886 240 HB THR 37 HB THR 37 6.909 7.424 7.424 241 HG1 THR 37 HG1 THR 37 5.067 5.328 5.328 242 1HG2 THR 37 HG22 THR 37 4.692 6.776 6.776 243 2HG2 THR 37 HG21 THR 37 6.349 6.197 6.197 244 3HG2 THR 37 HG23 THR 37 6.008 7.926 7.926 245 H VAL 38 HN VAL 38 5.407 6.772 6.772 246 HA VAL 38 HA VAL 38 6.249 9.234 9.234 247 HB VAL 38 HB VAL 38 7.240 6.404 6.404 248 1HG1 VAL 38 HG13 VAL 38 7.895 9.105 9.105 249 2HG1 VAL 38 HG12 VAL 38 9.048 7.770 7.770 250 3HG1 VAL 38 HG11 VAL 38 7.474 7.612 7.612 251 1HG2 VAL 38 HG23 VAL 38 8.313 8.718 8.718 252 2HG2 VAL 38 HG22 VAL 38 8.179 7.020 7.020 253 3HG2 VAL 38 HG21 VAL 38 9.408 7.524 7.524 254 H ARG 39 HN ARG 39 5.514 9.463 9.463 255 HA ARG 39 HA ARG 39 3.099 7.948 7.948 256 1HB ARG 39 HB2 ARG 39 2.976 9.495 9.495 257 2HB ARG 39 HB1 ARG 39 3.087 10.344 10.344 258 1HG ARG 39 HG2 ARG 39 5.329 10.949 10.949 259 2HG ARG 39 HG1 ARG 39 5.580 9.687 9.687 260 1HD ARG 39 HD2 ARG 39 3.478 11.648 11.648 261 2HD ARG 39 HD1 ARG 39 5.111 12.308 12.308 262 HE ARG 39 HE ARG 39 5.629 10.238 10.238 263 1HH1 ARG 39 HH21 ARG 39 2.738 12.189 12.189 264 2HH1 ARG 39 HH22 ARG 39 2.387 11.910 11.910 265 1HH2 ARG 39 HH11 ARG 39 5.151 9.887 9.887 266 2HH2 ARG 39 HH12 ARG 39 3.748 10.613 10.613 267 H GLY 40 HN GLY 40 3.024 7.574 7.574 268 1HA GLY 40 HA2 GLY 40 3.930 6.413 6.413 269 2HA GLY 40 HA1 GLY 40 5.496 6.422 6.422 270 H VAL 41 HN VAL 41 4.773 5.241 5.241 271 HA VAL 41 HA VAL 41 4.414 2.462 2.462 272 HB VAL 41 HB VAL 41 5.073 1.952 1.952 273 1HG1 VAL 41 HG12 VAL 41 6.808 3.785 3.785 274 2HG1 VAL 41 HG11 VAL 41 7.403 2.986 2.986 275 3HG1 VAL 41 HG13 VAL 41 6.857 2.024 2.024 276 1HG2 VAL 41 HG22 VAL 41 4.108 4.108 4.108 277 2HG2 VAL 41 HG21 VAL 41 5.735 3.739 3.739 278 3HG2 VAL 41 HG23 VAL 41 5.497 4.946 4.946 279 HA PRO 42 HA PRO 42 0.323 2.159 2.159 280 1HB PRO 42 HB2 PRO 42 0.400 -0.476 -0.476 281 2HB PRO 42 HB1 PRO 42 0.112 0.030 0.030 282 1HG PRO 42 HG2 PRO 42 2.363 -1.372 -1.372 283 2HG PRO 42 HG1 PRO 42 2.087 -0.833 -0.833 284 1HD PRO 42 HD2 PRO 42 3.752 0.394 0.394 285 2HD PRO 42 HD1 PRO 42 3.829 0.596 0.596 286 H TRP 43 HN TRP 43 -0.349 3.112 3.112 287 HA TRP 43 HA TRP 43 1.170 2.882 2.882 288 1HB TRP 43 HB2 TRP 43 -1.651 3.941 3.941 289 2HB TRP 43 HB1 TRP 43 -0.535 4.306 4.306 290 HD1 TRP 43 HD1 TRP 43 2.081 4.872 4.872 291 HE1 TRP 43 HE1 TRP 43 2.248 6.995 6.995 292 HE3 TRP 43 HE3 TRP 43 -2.881 5.938 5.938 293 HZ2 TRP 43 HZ2 TRP 43 0.510 8.894 8.894 294 HZ3 TRP 43 HZ3 TRP 43 -3.596 7.908 7.908 295 HH2 TRP 43 HH2 TRP 43 -1.907 9.387 9.387 296 H CYS 44 HN CYS 44 -1.637 1.266 1.266 297 HA CYS 44 HA CYS 44 -2.261 -0.075 -0.075 298 1HB CYS 44 HB2 CYS 44 -3.987 0.726 0.726 299 2HB CYS 44 HB1 CYS 44 -3.446 -0.614 -0.614 300 H PHE 45 HN PHE 45 -0.551 -1.537 -1.537 301 HA PHE 45 HA PHE 45 -0.125 -3.614 -3.614 302 1HB PHE 45 HB2 PHE 45 2.238 -3.717 -3.717 303 2HB PHE 45 HB1 PHE 45 1.827 -2.065 -2.065 304 HD1 PHE 45 HD1 PHE 45 0.959 -0.590 -0.590 305 HD2 PHE 45 HD2 PHE 45 3.539 -4.015 -4.015 306 HE1 PHE 45 HE1 PHE 45 1.804 0.196 0.196 307 HE2 PHE 45 HE2 PHE 45 4.386 -3.229 -3.229 308 HZ PHE 45 HZ PHE 45 3.518 -1.123 -1.123 309 H TYR 46 HN TYR 46 1.009 -5.629 -5.629 310 HA TYR 46 HA TYR 46 -0.755 -6.439 -6.439 311 1HB TYR 46 HB2 TYR 46 1.388 -7.745 -7.745 312 2HB TYR 46 HB1 TYR 46 0.882 -8.509 -8.509 313 HD1 TYR 46 HD1 TYR 46 -1.624 -8.956 -8.956 314 HD2 TYR 46 HD2 TYR 46 0.082 -7.947 -7.947 315 HE1 TYR 46 HE1 TYR 46 -3.627 -9.871 -9.871 316 HE2 TYR 46 HE2 TYR 46 -1.921 -8.861 -8.861 317 HH TYR 46 HH TYR 46 -4.157 -9.434 -9.434 318 HA PRO 47 HA PRO 47 2.141 -5.838 -5.838 319 1HB PRO 47 HB2 PRO 47 1.353 -7.938 -7.938 320 2HB PRO 47 HB1 PRO 47 0.485 -6.404 -6.404 321 1HG PRO 47 HG2 PRO 47 -0.360 -9.006 -9.006 322 2HG PRO 47 HG1 PRO 47 -1.222 -7.469 -7.469 323 1HD PRO 47 HD2 PRO 47 0.351 -8.955 -8.955 324 2HD PRO 47 HD1 PRO 47 -0.910 -7.728 -7.728 325 H ASN 48 HN ASN 48 3.621 -7.294 -7.294 326 HA ASN 48 HA ASN 48 4.819 -9.550 -9.550 327 1HB ASN 48 HB2 ASN 48 6.061 -6.898 -6.898 328 2HB ASN 48 HB1 ASN 48 7.073 -8.291 -8.291 329 1HD2 ASN 48 HD22 ASN 48 7.887 -8.632 -8.632 330 2HD2 ASN 48 HD21 ASN 48 8.416 -8.601 -8.601 331 H THR 49 HN THR 49 4.575 -11.141 -11.141 332 HA THR 49 HA THR 49 4.665 -10.529 -10.529 333 HB THR 49 HB THR 49 4.719 -13.155 -13.155 334 HG1 THR 49 HG1 THR 49 4.119 -14.090 -14.090 335 1HG2 THR 49 HG23 THR 49 2.491 -11.363 -11.363 336 2HG2 THR 49 HG22 THR 49 2.219 -13.093 -13.093 337 3HG2 THR 49 HG21 THR 49 2.721 -12.106 -12.106 338 H ILE 50 HN ILE 50 6.672 -9.884 -9.884 339 HA ILE 50 HA ILE 50 8.925 -11.740 -11.740 340 HB ILE 50 HB ILE 50 9.118 -8.732 -8.732 341 1HG1 ILE 50 HG12 ILE 50 9.509 -10.375 -10.375 342 2HG1 ILE 50 HG11 ILE 50 8.023 -9.500 -9.500 343 1HG2 ILE 50 HG23 ILE 50 11.092 -10.042 -10.042 344 2HG2 ILE 50 HG22 ILE 50 11.166 -10.811 -10.811 345 3HG2 ILE 50 HG21 ILE 50 11.451 -9.077 -9.077 346 1HD1 ILE 50 HD13 ILE 50 9.368 -7.398 -7.398 347 2HD1 ILE 50 HD12 ILE 50 10.789 -8.302 -8.302 348 3HD1 ILE 50 HD11 ILE 50 9.423 -8.102 -8.102 349 H ASP 51 HN ASP 51 10.380 -12.051 -12.051 350 HA ASP 51 HA ASP 51 9.094 -11.724 -11.724 351 1HB ASP 51 HB2 ASP 51 10.453 -13.751 -13.751 352 2HB ASP 51 HB1 ASP 51 11.889 -12.740 -12.740 353 H VAL 52 HN VAL 52 10.696 -10.961 -10.961 354 HA VAL 52 HA VAL 52 12.302 -8.659 -8.659 355 HB VAL 52 HB VAL 52 11.250 -7.253 -7.253 356 1HG1 VAL 52 HG12 VAL 52 10.530 -7.294 -7.294 357 2HG1 VAL 52 HG11 VAL 52 9.171 -8.292 -8.292 358 3HG1 VAL 52 HG13 VAL 52 9.349 -6.652 -6.652 359 1HG2 VAL 52 HG22 VAL 52 9.694 -9.779 -9.779 360 2HG2 VAL 52 HG21 VAL 52 10.205 -8.596 -8.596 361 3HG2 VAL 52 HG23 VAL 52 8.817 -8.260 -8.260 362 HA PRO 53 HA PRO 53 14.547 -10.832 -10.832 363 1HB PRO 53 HB2 PRO 53 16.885 -11.078 -11.078 364 2HB PRO 53 HB1 PRO 53 15.590 -12.284 -12.284 365 1HG PRO 53 HG2 PRO 53 16.426 -10.668 -10.668 366 2HG PRO 53 HG1 PRO 53 15.130 -11.873 -11.873 367 1HD PRO 53 HD2 PRO 53 14.949 -8.927 -8.927 368 2HD PRO 53 HD1 PRO 53 13.709 -10.102 -10.102 369 HA PRO 54 HA PRO 54 17.021 -7.268 -7.268 370 1HB PRO 54 HB2 PRO 54 18.422 -8.467 -8.467 371 2HB PRO 54 HB1 PRO 54 16.730 -7.957 -7.957 372 1HG PRO 54 HG2 PRO 54 17.785 -10.621 -10.621 373 2HG PRO 54 HG1 PRO 54 16.098 -10.102 -10.102 374 1HD PRO 54 HD2 PRO 54 17.531 -11.127 -11.127 375 2HD PRO 54 HD1 PRO 54 15.789 -11.086 -11.086 376 H GLU 55 HN GLU 55 18.601 -10.240 -10.240 377 HA GLU 55 HA GLU 55 21.227 -8.898 -8.898 378 1HB GLU 55 HB2 GLU 55 20.278 -11.727 -11.727 379 2HB GLU 55 HB1 GLU 55 21.763 -11.363 -11.363 380 1HG GLU 55 HG2 GLU 55 22.553 -11.840 -11.840 381 2HG GLU 55 HG1 GLU 55 22.445 -10.079 -10.079 382 H GLU 56 HN GLU 56 22.399 -8.738 -8.738 383 HA GLU 56 HA GLU 56 20.645 -8.923 -8.923 384 1HB GLU 56 HB2 GLU 56 22.174 -7.194 -7.194 385 2HB GLU 56 HB1 GLU 56 21.315 -6.629 -6.629 386 1HG GLU 56 HG2 GLU 56 23.920 -7.948 -7.948 387 2HG GLU 56 HG1 GLU 56 24.007 -6.399 -6.399 388 H GLU 57 HN GLU 57 21.550 -9.843 -9.843 389 HA GLU 57 HA GLU 57 23.739 -11.718 -11.718 390 1HB GLU 57 HB2 GLU 57 21.504 -12.220 -12.220 391 2HB GLU 57 HB1 GLU 57 22.299 -11.445 -11.445 392 1HG GLU 57 HG2 GLU 57 24.128 -13.029 -13.029 393 2HG GLU 57 HG1 GLU 57 23.511 -13.728 -13.728 394 H SER 58 HN SER 58 25.472 -11.946 -11.946 395 HA SER 58 HA SER 58 26.673 -9.368 -9.368 396 1HB SER 58 HB2 SER 58 27.417 -12.214 -12.214 397 2HB SER 58 HB1 SER 58 28.339 -10.866 -10.866 398 HG SER 58 HG SER 58 27.819 -11.419 -11.419 399 H GLU 59 HN GLU 59 25.880 -8.071 -8.071 400 HA GLU 59 HA GLU 59 25.155 -9.395 -9.395 401 1HB GLU 59 HB2 GLU 59 24.070 -6.818 -6.818 402 2HB GLU 59 HB1 GLU 59 23.595 -7.526 -7.526 403 1HG GLU 59 HG2 GLU 59 22.848 -9.575 -9.575 404 2HG GLU 59 HG1 GLU 59 23.217 -8.766 -8.766 405 H PHE 60 HN PHE 60 25.466 -7.875 -7.875 406 HA PHE 60 HA PHE 60 27.888 -6.210 -6.210 407 1HB PHE 60 HB2 PHE 60 27.161 -8.176 -8.176 408 2HB PHE 60 HB1 PHE 60 28.184 -6.799 -6.799 409 HD1 PHE 60 HD2 PHE 60 30.011 -6.316 -6.316 410 HD2 PHE 60 HD1 PHE 60 28.324 -10.117 -10.117 411 HE1 PHE 60 HE2 PHE 60 31.965 -7.467 -7.467 412 HE2 PHE 60 HE1 PHE 60 30.279 -11.268 -11.268 413 HZ PHE 60 HZ PHE 60 32.100 -9.944 -9.944 Start of MODEL 11 1 1H GLU 1 HT2 GLU 1 8.997 -18.474 -18.474 2 2H GLU 1 HT1 GLU 1 10.110 -19.572 -19.572 3 3H GLU 1 HT3 GLU 1 10.112 -17.957 -17.957 4 HA GLU 1 HA GLU 1 9.043 -19.014 -19.014 5 1HB GLU 1 HB2 GLU 1 7.817 -20.652 -20.652 6 2HB GLU 1 HB1 GLU 1 7.135 -20.645 -20.645 7 1HG GLU 1 HG2 GLU 1 10.054 -21.230 -21.230 8 2HG GLU 1 HG1 GLU 1 8.825 -22.494 -22.494 9 H ALA 2 HN ALA 2 8.522 -16.654 -16.654 10 HA ALA 2 HA ALA 2 5.626 -16.334 -16.334 11 1HB ALA 2 HB3 ALA 2 6.500 -16.264 -16.264 12 2HB ALA 2 HB2 ALA 2 7.144 -14.682 -14.682 13 3HB ALA 2 HB1 ALA 2 5.409 -14.986 -14.986 14 H GLN 3 HN GLN 3 5.415 -15.121 -15.121 15 HA GLN 3 HA GLN 3 7.481 -13.151 -13.151 16 1HB GLN 3 HB2 GLN 3 4.961 -13.935 -13.935 17 2HB GLN 3 HB1 GLN 3 6.283 -12.952 -12.952 18 1HG GLN 3 HG2 GLN 3 7.828 -14.819 -14.819 19 2HG GLN 3 HG1 GLN 3 6.598 -15.805 -15.805 20 1HE2 GLN 3 HE22 GLN 3 4.629 -15.902 -15.902 21 2HE2 GLN 3 HE21 GLN 3 4.343 -15.405 -15.405 22 H THR 4 HN THR 4 6.869 -10.895 -10.895 23 HA THR 4 HA THR 4 4.563 -10.007 -10.007 24 HB THR 4 HB THR 4 5.769 -7.917 -7.917 25 HG1 THR 4 HG1 THR 4 7.130 -7.399 -7.399 26 1HG2 THR 4 HG21 THR 4 6.309 -9.938 -9.938 27 2HG2 THR 4 HG23 THR 4 7.722 -10.194 -10.194 28 3HG2 THR 4 HG22 THR 4 7.582 -8.719 -8.719 29 H GLU 5 HN GLU 5 3.860 -7.653 -7.653 30 HA GLU 5 HA GLU 5 3.082 -8.072 -8.072 31 1HB GLU 5 HB2 GLU 5 2.394 -5.920 -5.920 32 2HB GLU 5 HB1 GLU 5 1.733 -5.990 -5.990 33 1HG GLU 5 HG2 GLU 5 0.646 -8.082 -8.082 34 2HG GLU 5 HG1 GLU 5 1.511 -8.288 -8.288 35 H THR 6 HN THR 6 4.077 -7.081 -7.081 36 HA THR 6 HA THR 6 5.567 -4.593 -4.593 37 HB THR 6 HB THR 6 6.946 -6.868 -6.868 38 HG1 THR 6 HG1 THR 6 7.188 -7.785 -7.785 39 1HG2 THR 6 HG23 THR 6 7.704 -4.212 -4.212 40 2HG2 THR 6 HG22 THR 6 8.923 -5.462 -5.462 41 3HG2 THR 6 HG21 THR 6 8.020 -4.824 -4.824 42 H CYS 7 HN CYS 7 4.711 -3.288 -3.288 43 HA CYS 7 HA CYS 7 4.278 -4.484 -4.484 44 1HB CYS 7 HB2 CYS 7 2.622 -2.601 -2.601 45 2HB CYS 7 HB1 CYS 7 2.633 -2.392 -2.392 46 H THR 8 HN THR 8 6.806 -3.517 -3.517 47 HA THR 8 HA THR 8 6.892 -0.992 -0.992 48 HB THR 8 HB THR 8 7.393 -0.419 -0.419 49 HG1 THR 8 HG1 THR 8 9.500 0.326 0.326 50 1HG2 THR 8 HG22 THR 8 8.757 -3.017 -3.017 51 2HG2 THR 8 HG21 THR 8 9.718 -1.750 -1.750 52 3HG2 THR 8 HG23 THR 8 8.108 -2.124 -2.124 53 H VAL 9 HN VAL 9 7.250 -2.474 -2.474 54 HA VAL 9 HA VAL 9 9.883 -3.822 -3.822 55 HB VAL 9 HB VAL 9 7.672 -4.002 -4.002 56 1HG1 VAL 9 HG12 VAL 9 10.322 -5.363 -5.363 57 2HG1 VAL 9 HG11 VAL 9 9.015 -6.217 -6.217 58 3HG1 VAL 9 HG13 VAL 9 9.637 -4.706 -4.706 59 1HG2 VAL 9 HG21 VAL 9 7.123 -4.845 -4.845 60 2HG2 VAL 9 HG23 VAL 9 6.976 -6.028 -6.028 61 3HG2 VAL 9 HG22 VAL 9 8.390 -6.047 -6.047 62 H ALA 10 HN ALA 10 11.093 -3.646 -3.646 63 HA ALA 10 HA ALA 10 11.573 -0.866 -0.866 64 1HB ALA 10 HB2 ALA 10 13.291 -2.716 -2.716 65 2HB ALA 10 HB1 ALA 10 12.501 -3.224 -3.224 66 3HB ALA 10 HB3 ALA 10 13.250 -1.631 -1.631 67 HA PRO 11 HA PRO 11 8.395 0.313 0.313 68 1HB PRO 11 HB2 PRO 11 10.545 1.317 1.317 69 2HB PRO 11 HB1 PRO 11 9.224 2.198 2.198 70 1HG PRO 11 HG2 PRO 11 11.955 2.008 2.008 71 2HG PRO 11 HG1 PRO 11 10.636 2.906 2.906 72 1HD PRO 11 HD2 PRO 11 11.903 0.696 0.696 73 2HD PRO 11 HD1 PRO 11 10.300 1.292 1.292 74 H ARG 12 HN ARG 12 11.311 -1.429 -1.429 75 HA ARG 12 HA ARG 12 10.072 -2.199 -2.199 76 1HB ARG 12 HB2 ARG 12 12.158 -3.547 -3.547 77 2HB ARG 12 HB1 ARG 12 12.478 -1.843 -1.843 78 1HG ARG 12 HG2 ARG 12 12.589 -2.546 -2.546 79 2HG ARG 12 HG1 ARG 12 12.750 -4.190 -4.190 80 1HD ARG 12 HD2 ARG 12 14.982 -3.389 -3.389 81 2HD ARG 12 HD1 ARG 12 14.651 -3.302 -3.302 82 HE ARG 12 HE ARG 12 13.914 -0.828 -0.828 83 1HH1 ARG 12 HH11 ARG 12 16.785 -2.806 -2.806 84 2HH1 ARG 12 HH12 ARG 12 17.871 -1.457 -1.457 85 1HH2 ARG 12 HH21 ARG 12 15.355 0.925 0.925 86 2HH2 ARG 12 HH22 ARG 12 17.064 0.645 0.645 87 H GLU 13 HN GLU 13 10.972 -3.817 -3.817 88 HA GLU 13 HA GLU 13 9.849 -6.340 -6.340 89 1HB GLU 13 HB2 GLU 13 11.110 -5.275 -5.275 90 2HB GLU 13 HB1 GLU 13 10.129 -6.738 -6.738 91 1HG GLU 13 HG2 GLU 13 11.580 -7.978 -7.978 92 2HG GLU 13 HG1 GLU 13 12.145 -6.567 -6.567 93 H ARG 14 HN ARG 14 7.955 -4.185 -4.185 94 HA ARG 14 HA ARG 14 6.076 -4.827 -4.827 95 1HB ARG 14 HB2 ARG 14 6.292 -2.427 -2.427 96 2HB ARG 14 HB1 ARG 14 4.881 -2.734 -2.734 97 1HG ARG 14 HG2 ARG 14 6.664 -2.986 -2.986 98 2HG ARG 14 HG1 ARG 14 7.687 -2.054 -2.054 99 1HD ARG 14 HD2 ARG 14 5.795 -0.371 -0.371 100 2HD ARG 14 HD1 ARG 14 5.006 -1.244 -1.244 101 HE ARG 14 HE ARG 14 7.606 -0.702 -0.702 102 1HH1 ARG 14 HH11 ARG 14 4.772 1.066 1.066 103 2HH1 ARG 14 HH12 ARG 14 5.119 2.441 2.441 104 1HH2 ARG 14 HH21 ARG 14 8.039 1.109 1.109 105 2HH2 ARG 14 HH22 ARG 14 6.960 2.464 2.464 106 H GLN 15 HN GLN 15 4.444 -6.203 -6.203 107 HA GLN 15 HA GLN 15 3.887 -6.667 -6.667 108 1HB GLN 15 HB2 GLN 15 2.284 -8.425 -8.425 109 2HB GLN 15 HB1 GLN 15 4.013 -8.707 -8.707 110 1HG GLN 15 HG2 GLN 15 2.554 -7.180 -7.180 111 2HG GLN 15 HG1 GLN 15 2.394 -8.937 -8.937 112 1HE2 GLN 15 HE22 GLN 15 5.667 -7.434 -7.434 113 2HE2 GLN 15 HE21 GLN 15 4.215 -6.581 -6.581 114 H ASN 16 HN ASN 16 2.220 -5.670 -5.670 115 HA ASN 16 HA ASN 16 0.591 -3.756 -3.756 116 1HB ASN 16 HB2 ASN 16 1.206 -3.782 -3.782 117 2HB ASN 16 HB1 ASN 16 0.057 -5.102 -5.102 118 1HD2 ASN 16 HD22 ASN 16 -1.345 -1.389 -1.389 119 2HD2 ASN 16 HD21 ASN 16 0.280 -1.809 -1.809 120 H CYS 17 HN CYS 17 -1.289 -4.002 -4.002 121 HA CYS 17 HA CYS 17 -2.606 -6.645 -6.645 122 1HB CYS 17 HB2 CYS 17 -1.900 -5.172 -5.172 123 2HB CYS 17 HB1 CYS 17 -3.472 -4.441 -4.441 124 H GLY 18 HN GLY 18 -2.997 -3.276 -3.276 125 1HA GLY 18 HA2 GLY 18 -5.301 -3.872 -3.872 126 2HA GLY 18 HA1 GLY 18 -5.708 -2.899 -2.899 127 H PHE 19 HN PHE 19 -6.108 -1.661 -1.661 128 HA PHE 19 HA PHE 19 -3.844 -0.320 -0.320 129 1HB PHE 19 HB2 PHE 19 -5.590 1.360 1.360 130 2HB PHE 19 HB1 PHE 19 -5.797 -0.310 -0.310 131 HD1 PHE 19 HD2 PHE 19 -7.460 -1.785 -1.785 132 HD2 PHE 19 HD1 PHE 19 -7.263 2.468 2.468 133 HE1 PHE 19 HE2 PHE 19 -9.745 -1.811 -1.811 134 HE2 PHE 19 HE1 PHE 19 -9.556 2.438 2.438 135 HZ PHE 19 HZ PHE 19 -10.793 0.300 0.300 136 HA PRO 20 HA PRO 20 -3.112 2.901 2.901 137 1HB PRO 20 HB2 PRO 20 -2.466 5.011 5.011 138 2HB PRO 20 HB1 PRO 20 -1.370 3.725 3.725 139 1HG PRO 20 HG2 PRO 20 -2.429 4.201 4.201 140 2HG PRO 20 HG1 PRO 20 -1.307 2.935 2.935 141 1HD PRO 20 HD2 PRO 20 -4.179 2.749 2.749 142 2HD PRO 20 HD1 PRO 20 -2.982 1.450 1.450 143 H GLY 21 HN GLY 21 -5.379 3.772 3.772 144 1HA GLY 21 HA2 GLY 21 -6.343 6.199 6.199 145 2HA GLY 21 HA1 GLY 21 -7.271 5.107 5.107 146 H VAL 22 HN VAL 22 -6.498 3.059 3.059 147 HA VAL 22 HA VAL 22 -9.053 3.042 3.042 148 HB VAL 22 HB VAL 22 -7.974 1.550 1.550 149 1HG1 VAL 22 HG13 VAL 22 -8.771 0.749 0.749 150 2HG1 VAL 22 HG12 VAL 22 -7.112 0.912 0.912 151 3HG1 VAL 22 HG11 VAL 22 -7.491 -0.235 -0.235 152 1HG2 VAL 22 HG21 VAL 22 -5.505 2.461 2.461 153 2HG2 VAL 22 HG23 VAL 22 -5.798 2.474 2.474 154 3HG2 VAL 22 HG22 VAL 22 -5.539 0.945 0.945 155 H THR 23 HN THR 23 -9.354 3.288 3.288 156 HA THR 23 HA THR 23 -7.829 5.634 5.634 157 HB THR 23 HB THR 23 -9.983 6.406 6.406 158 HG1 THR 23 HG1 THR 23 -10.864 4.161 4.161 159 1HG2 THR 23 HG23 THR 23 -9.078 7.222 7.222 160 2HG2 THR 23 HG22 THR 23 -10.212 6.112 6.112 161 3HG2 THR 23 HG21 THR 23 -10.812 7.432 7.432 162 HA PRO 24 HA PRO 24 -6.854 3.793 3.793 163 1HB PRO 24 HB2 PRO 24 -8.770 5.471 5.471 164 2HB PRO 24 HB1 PRO 24 -7.003 5.445 5.445 165 1HG PRO 24 HG2 PRO 24 -8.703 7.277 7.277 166 2HG PRO 24 HG1 PRO 24 -6.947 7.329 7.329 167 1HD PRO 24 HD2 PRO 24 -8.189 6.857 6.857 168 2HD PRO 24 HD1 PRO 24 -6.541 6.323 6.323 169 H SER 25 HN SER 25 -10.316 4.340 4.340 170 HA SER 25 HA SER 25 -11.198 2.328 2.328 171 1HB SER 25 HB2 SER 25 -13.415 2.693 2.693 172 2HB SER 25 HB1 SER 25 -12.690 4.162 4.162 173 HG SER 25 HG SER 25 -12.738 4.899 4.899 174 H GLN 26 HN GLN 26 -10.899 2.532 2.532 175 HA GLN 26 HA GLN 26 -11.898 -0.063 -0.063 176 1HB GLN 26 HB2 GLN 26 -10.213 1.926 1.926 177 2HB GLN 26 HB1 GLN 26 -10.256 0.272 0.272 178 1HG GLN 26 HG2 GLN 26 -12.570 0.349 0.349 179 2HG GLN 26 HG1 GLN 26 -12.809 1.712 1.712 180 1HE2 GLN 26 HE22 GLN 26 -12.100 2.444 2.444 181 2HE2 GLN 26 HE21 GLN 26 -12.462 0.898 0.898 182 H CYS 27 HN CYS 27 -8.488 1.086 1.086 183 HA CYS 27 HA CYS 27 -7.314 -1.476 -1.476 184 1HB CYS 27 HB2 CYS 27 -6.183 0.831 0.831 185 2HB CYS 27 HB1 CYS 27 -6.174 0.769 0.769 186 H ALA 28 HN ALA 28 -8.648 0.252 0.252 187 HA ALA 28 HA ALA 28 -7.684 -1.780 -1.780 188 1HB ALA 28 HB1 ALA 28 -7.886 0.598 0.598 189 2HB ALA 28 HB3 ALA 28 -9.628 0.507 0.507 190 3HB ALA 28 HB2 ALA 28 -8.876 -0.458 -0.458 191 H ASN 29 HN ASN 29 -10.182 -1.673 -1.673 192 HA ASN 29 HA ASN 29 -12.258 -2.881 -2.881 193 1HB ASN 29 HB2 ASN 29 -12.610 -1.490 -1.490 194 2HB ASN 29 HB1 ASN 29 -12.057 -2.899 -2.899 195 1HD2 ASN 29 HD22 ASN 29 -15.606 -3.216 -3.216 196 2HD2 ASN 29 HD21 ASN 29 -14.406 -2.164 -2.164 197 H LYS 30 HN LYS 30 -9.953 -4.055 -4.055 198 HA LYS 30 HA LYS 30 -10.818 -6.795 -6.795 199 1HB LYS 30 HB2 LYS 30 -9.535 -5.453 -5.453 200 2HB LYS 30 HB1 LYS 30 -8.193 -6.316 -6.316 201 1HG LYS 30 HG2 LYS 30 -10.036 -8.298 -8.298 202 2HG LYS 30 HG1 LYS 30 -10.547 -7.383 -7.383 203 1HD LYS 30 HD2 LYS 30 -8.450 -7.641 -7.641 204 2HD LYS 30 HD1 LYS 30 -7.653 -8.122 -8.122 205 1HE LYS 30 HE2 LYS 30 -9.387 -10.101 -10.101 206 2HE LYS 30 HE1 LYS 30 -9.481 -9.720 -9.720 207 1HZ LYS 30 HZ1 LYS 30 -6.918 -10.092 -10.092 208 2HZ LYS 30 HZ3 LYS 30 -7.779 -11.395 -11.395 209 3HZ LYS 30 HZ2 LYS 30 -7.244 -10.139 -10.139 210 H GLY 31 HN GLY 31 -7.857 -4.916 -4.916 211 1HA GLY 31 HA2 GLY 31 -7.176 -5.455 -5.455 212 2HA GLY 31 HA1 GLY 31 -7.146 -7.124 -7.124 213 H CYS 32 HN CYS 32 -6.143 -4.642 -4.642 214 HA CYS 32 HA CYS 32 -3.416 -5.737 -5.737 215 1HB CYS 32 HB2 CYS 32 -4.555 -3.679 -3.679 216 2HB CYS 32 HB1 CYS 32 -3.058 -4.585 -4.585 217 H CYS 33 HN CYS 33 -1.626 -4.522 -4.522 218 HA CYS 33 HA CYS 33 -2.114 -2.314 -2.314 219 1HB CYS 33 HB2 CYS 33 0.298 -3.693 -3.693 220 2HB CYS 33 HB1 CYS 33 0.519 -2.073 -2.073 221 H PHE 34 HN PHE 34 -2.337 -0.173 -0.173 222 HA PHE 34 HA PHE 34 -1.848 0.680 0.680 223 1HB PHE 34 HB2 PHE 34 -4.065 1.135 1.135 224 2HB PHE 34 HB1 PHE 34 -3.220 2.180 2.180 225 HD1 PHE 34 HD1 PHE 34 -4.049 1.692 1.692 226 HD2 PHE 34 HD2 PHE 34 -2.485 4.372 4.372 227 HE1 PHE 34 HE1 PHE 34 -4.133 3.554 3.554 228 HE2 PHE 34 HE2 PHE 34 -2.570 6.234 6.234 229 HZ PHE 34 HZ PHE 34 -3.393 5.824 5.824 230 H ASP 35 HN ASP 35 -0.382 2.369 2.369 231 HA ASP 35 HA ASP 35 0.978 3.735 3.735 232 1HB ASP 35 HB2 ASP 35 2.203 1.566 1.566 233 2HB ASP 35 HB1 ASP 35 2.543 2.066 2.066 234 H ASP 36 HN ASP 36 0.512 5.787 5.787 235 HA ASP 36 HA ASP 36 1.179 6.327 6.327 236 1HB ASP 36 HB2 ASP 36 -0.250 8.365 8.365 237 2HB ASP 36 HB1 ASP 36 -1.134 6.855 6.855 238 H THR 37 HN THR 37 3.493 6.506 6.506 239 HA THR 37 HA THR 37 4.093 9.020 9.020 240 HB THR 37 HB THR 37 6.308 7.982 7.982 241 HG1 THR 37 HG1 THR 37 6.327 5.647 5.647 242 1HG2 THR 37 HG21 THR 37 4.043 7.713 7.713 243 2HG2 THR 37 HG23 THR 37 4.279 6.015 6.015 244 3HG2 THR 37 HG22 THR 37 5.519 6.883 6.883 245 H VAL 38 HN VAL 38 4.825 6.975 6.975 246 HA VAL 38 HA VAL 38 6.127 9.343 9.343 247 HB VAL 38 HB VAL 38 6.934 6.449 6.449 248 1HG1 VAL 38 HG13 VAL 38 7.832 9.100 9.100 249 2HG1 VAL 38 HG12 VAL 38 8.989 7.777 7.777 250 3HG1 VAL 38 HG11 VAL 38 7.547 7.583 7.583 251 1HG2 VAL 38 HG22 VAL 38 7.475 7.348 7.348 252 2HG2 VAL 38 HG21 VAL 38 8.907 6.968 6.968 253 3HG2 VAL 38 HG23 VAL 38 8.388 8.644 8.644 254 H ARG 39 HN ARG 39 5.742 9.589 9.589 255 HA ARG 39 HA ARG 39 3.252 8.332 8.332 256 1HB ARG 39 HB2 ARG 39 3.859 10.816 10.816 257 2HB ARG 39 HB1 ARG 39 4.946 10.281 10.281 258 1HG ARG 39 HG2 ARG 39 3.206 9.567 9.567 259 2HG ARG 39 HG1 ARG 39 2.107 9.319 9.319 260 1HD ARG 39 HD2 ARG 39 2.081 11.817 11.817 261 2HD ARG 39 HD1 ARG 39 2.993 11.969 11.969 262 HE ARG 39 HE ARG 39 0.476 10.462 10.462 263 1HH1 ARG 39 HH21 ARG 39 2.245 13.412 13.412 264 2HH1 ARG 39 HH22 ARG 39 1.092 14.036 14.036 265 1HH2 ARG 39 HH11 ARG 39 -1.021 11.299 11.299 266 2HH2 ARG 39 HH12 ARG 39 -0.748 12.845 12.845 267 H GLY 40 HN GLY 40 3.188 7.542 7.542 268 1HA GLY 40 HA2 GLY 40 4.140 6.354 6.354 269 2HA GLY 40 HA1 GLY 40 5.715 6.480 6.480 270 H VAL 41 HN VAL 41 5.374 5.361 5.361 271 HA VAL 41 HA VAL 41 5.151 2.558 2.558 272 HB VAL 41 HB VAL 41 5.599 2.266 2.266 273 1HG1 VAL 41 HG13 VAL 41 7.366 2.829 2.829 274 2HG1 VAL 41 HG12 VAL 41 7.439 4.407 4.407 275 3HG1 VAL 41 HG11 VAL 41 7.843 2.952 2.952 276 1HG2 VAL 41 HG21 VAL 41 5.112 5.233 5.233 277 2HG2 VAL 41 HG23 VAL 41 4.552 4.040 4.040 278 3HG2 VAL 41 HG22 VAL 41 6.236 4.565 4.565 279 HA PRO 42 HA PRO 42 0.945 1.916 1.916 280 1HB PRO 42 HB2 PRO 42 1.197 -0.683 -0.683 281 2HB PRO 42 HB1 PRO 42 1.053 -0.232 -0.232 282 1HG PRO 42 HG2 PRO 42 3.302 -1.376 -1.376 283 2HG PRO 42 HG1 PRO 42 3.168 -0.887 -0.887 284 1HD PRO 42 HD2 PRO 42 4.420 0.546 0.546 285 2HD PRO 42 HD1 PRO 42 4.713 0.712 0.712 286 H TRP 43 HN TRP 43 -0.219 2.504 2.504 287 HA TRP 43 HA TRP 43 1.163 2.503 2.503 288 1HB TRP 43 HB2 TRP 43 -1.645 3.462 3.462 289 2HB TRP 43 HB1 TRP 43 -0.643 3.895 3.895 290 HD1 TRP 43 HD1 TRP 43 2.065 4.519 4.519 291 HE1 TRP 43 HE1 TRP 43 2.249 6.630 6.630 292 HE3 TRP 43 HE3 TRP 43 -2.885 5.411 5.411 293 HZ2 TRP 43 HZ2 TRP 43 0.525 8.457 8.457 294 HZ3 TRP 43 HZ3 TRP 43 -3.586 7.342 7.342 295 HH2 TRP 43 HH2 TRP 43 -1.889 8.864 8.864 296 H CYS 44 HN CYS 44 -1.621 0.937 0.937 297 HA CYS 44 HA CYS 44 -2.288 -0.502 -0.502 298 1HB CYS 44 HB2 CYS 44 -3.961 0.417 0.417 299 2HB CYS 44 HB1 CYS 44 -3.475 -0.962 -0.962 300 H PHE 45 HN PHE 45 -0.714 -2.077 -2.077 301 HA PHE 45 HA PHE 45 -0.277 -4.071 -4.071 302 1HB PHE 45 HB2 PHE 45 2.091 -4.204 -4.204 303 2HB PHE 45 HB1 PHE 45 1.691 -2.537 -2.537 304 HD1 PHE 45 HD2 PHE 45 0.849 -1.130 -1.130 305 HD2 PHE 45 HD1 PHE 45 3.434 -4.554 -4.554 306 HE1 PHE 45 HE2 PHE 45 1.719 -0.415 -0.415 307 HE2 PHE 45 HE1 PHE 45 4.311 -3.838 -3.838 308 HZ PHE 45 HZ PHE 45 3.450 -1.770 -1.770 309 H TYR 46 HN TYR 46 0.860 -6.119 -6.119 310 HA TYR 46 HA TYR 46 -0.890 -6.987 -6.987 311 1HB TYR 46 HB2 TYR 46 1.369 -8.243 -8.243 312 2HB TYR 46 HB1 TYR 46 0.669 -9.057 -9.057 313 HD1 TYR 46 HD2 TYR 46 -1.790 -9.599 -9.599 314 HD2 TYR 46 HD1 TYR 46 0.223 -8.154 -8.154 315 HE1 TYR 46 HE2 TYR 46 -3.668 -10.400 -10.400 316 HE2 TYR 46 HE1 TYR 46 -1.655 -8.955 -8.955 317 HH TYR 46 HH TYR 46 -3.462 -10.750 -10.750 318 HA PRO 47 HA PRO 47 1.959 -6.375 -6.375 319 1HB PRO 47 HB2 PRO 47 1.167 -8.492 -8.492 320 2HB PRO 47 HB1 PRO 47 0.291 -6.963 -6.963 321 1HG PRO 47 HG2 PRO 47 -0.533 -9.563 -9.563 322 2HG PRO 47 HG1 PRO 47 -1.394 -8.027 -8.027 323 1HD PRO 47 HD2 PRO 47 0.245 -9.510 -9.510 324 2HD PRO 47 HD1 PRO 47 -1.037 -8.309 -8.309 325 H ASN 48 HN ASN 48 3.781 -7.353 -7.353 326 HA ASN 48 HA ASN 48 4.824 -9.864 -9.864 327 1HB ASN 48 HB2 ASN 48 6.124 -7.163 -7.163 328 2HB ASN 48 HB1 ASN 48 7.130 -8.600 -8.600 329 1HD2 ASN 48 HD22 ASN 48 7.216 -8.773 -8.773 330 2HD2 ASN 48 HD21 ASN 48 8.104 -8.621 -8.621 331 H THR 49 HN THR 49 4.777 -11.187 -11.187 332 HA THR 49 HA THR 49 5.288 -10.110 -10.110 333 HB THR 49 HB THR 49 4.901 -12.411 -12.411 334 HG1 THR 49 HG1 THR 49 5.510 -13.887 -13.887 335 1HG2 THR 49 HG22 THR 49 2.989 -10.875 -10.875 336 2HG2 THR 49 HG21 THR 49 2.933 -11.828 -11.828 337 3HG2 THR 49 HG23 THR 49 2.621 -12.598 -12.598 338 H ILE 50 HN ILE 50 7.411 -9.575 -9.575 339 HA ILE 50 HA ILE 50 9.445 -11.646 -11.646 340 HB ILE 50 HB ILE 50 9.866 -8.644 -8.644 341 1HG1 ILE 50 HG12 ILE 50 9.818 -10.580 -10.580 342 2HG1 ILE 50 HG11 ILE 50 8.404 -9.643 -9.643 343 1HG2 ILE 50 HG22 ILE 50 11.614 -11.042 -11.042 344 2HG2 ILE 50 HG21 ILE 50 12.005 -9.413 -9.413 345 3HG2 ILE 50 HG23 ILE 50 11.909 -9.761 -9.761 346 1HD1 ILE 50 HD11 ILE 50 10.950 -8.138 -8.138 347 2HD1 ILE 50 HD13 ILE 50 10.188 -8.736 -8.736 348 3HD1 ILE 50 HD12 ILE 50 9.300 -7.658 -7.658 349 H ASP 51 HN ASP 51 11.247 -11.706 -11.706 350 HA ASP 51 HA ASP 51 10.360 -11.153 -11.153 351 1HB ASP 51 HB2 ASP 51 12.716 -12.486 -12.486 352 2HB ASP 51 HB1 ASP 51 12.866 -11.943 -11.943 353 H VAL 52 HN VAL 52 10.414 -9.022 -9.022 354 HA VAL 52 HA VAL 52 12.965 -7.576 -7.576 355 HB VAL 52 HB VAL 52 11.614 -5.483 -5.483 356 1HG1 VAL 52 HG12 VAL 52 11.183 -7.739 -7.739 357 2HG1 VAL 52 HG11 VAL 52 10.723 -6.070 -6.070 358 3HG1 VAL 52 HG13 VAL 52 12.415 -6.479 -6.479 359 1HG2 VAL 52 HG21 VAL 52 9.312 -7.458 -7.458 360 2HG2 VAL 52 HG23 VAL 52 9.574 -6.270 -6.270 361 3HG2 VAL 52 HG22 VAL 52 9.195 -5.736 -5.736 362 HA PRO 53 HA PRO 53 13.441 -6.854 -6.854 363 1HB PRO 53 HB2 PRO 53 13.396 -3.959 -3.959 364 2HB PRO 53 HB1 PRO 53 14.746 -5.015 -5.015 365 1HG PRO 53 HG2 PRO 53 14.095 -3.854 -3.854 366 2HG PRO 53 HG1 PRO 53 15.570 -4.689 -4.689 367 1HD PRO 53 HD2 PRO 53 13.788 -5.732 -5.732 368 2HD PRO 53 HD1 PRO 53 14.844 -6.726 -6.726 369 HA PRO 54 HA PRO 54 9.717 -3.379 -3.379 370 1HB PRO 54 HB2 PRO 54 8.226 -4.268 -4.268 371 2HB PRO 54 HB1 PRO 54 8.534 -2.628 -2.628 372 1HG PRO 54 HG2 PRO 54 9.887 -4.049 -4.049 373 2HG PRO 54 HG1 PRO 54 10.162 -2.395 -2.395 374 1HD PRO 54 HD2 PRO 54 11.965 -4.460 -4.460 375 2HD PRO 54 HD1 PRO 54 11.938 -3.005 -3.005 376 H GLU 55 HN GLU 55 8.256 -4.229 -4.229 377 HA GLU 55 HA GLU 55 7.766 -7.074 -7.074 378 1HB GLU 55 HB2 GLU 55 6.372 -6.527 -6.527 379 2HB GLU 55 HB1 GLU 55 8.001 -5.859 -5.859 380 1HG GLU 55 HG2 GLU 55 6.844 -3.951 -3.951 381 2HG GLU 55 HG1 GLU 55 6.761 -3.790 -3.790 382 H GLU 56 HN GLU 56 5.320 -7.751 -7.751 383 HA GLU 56 HA GLU 56 3.709 -6.472 -6.472 384 1HB GLU 56 HB2 GLU 56 2.598 -8.696 -8.696 385 2HB GLU 56 HB1 GLU 56 4.322 -8.763 -8.763 386 1HG GLU 56 HG2 GLU 56 4.289 -10.521 -10.521 387 2HG GLU 56 HG1 GLU 56 4.378 -9.244 -9.244 388 H GLU 57 HN GLU 57 1.312 -6.545 -6.545 389 HA GLU 57 HA GLU 57 0.753 -6.237 -6.237 390 1HB GLU 57 HB2 GLU 57 -0.723 -5.127 -5.127 391 2HB GLU 57 HB1 GLU 57 -1.143 -4.831 -4.831 392 1HG GLU 57 HG2 GLU 57 1.657 -4.249 -4.249 393 2HG GLU 57 HG1 GLU 57 0.385 -3.120 -3.120 394 H SER 58 HN SER 58 -0.352 -7.929 -7.929 395 HA SER 58 HA SER 58 -2.011 -9.593 -9.593 396 1HB SER 58 HB2 SER 58 -1.771 -11.345 -11.345 397 2HB SER 58 HB1 SER 58 -0.170 -10.639 -10.639 398 HG SER 58 HG SER 58 -2.041 -9.984 -9.984 399 H GLU 59 HN GLU 59 -4.228 -9.670 -9.670 400 HA GLU 59 HA GLU 59 -5.347 -7.905 -7.905 401 1HB GLU 59 HB2 GLU 59 -6.391 -9.130 -9.130 402 2HB GLU 59 HB1 GLU 59 -7.514 -8.528 -8.528 403 1HG GLU 59 HG2 GLU 59 -7.217 -6.598 -6.598 404 2HG GLU 59 HG1 GLU 59 -5.908 -6.407 -6.407 405 H PHE 60 HN PHE 60 -6.985 -8.671 -8.671 406 HA PHE 60 HA PHE 60 -6.844 -11.597 -11.597 407 1HB PHE 60 HB2 PHE 60 -7.212 -9.234 -9.234 408 2HB PHE 60 HB1 PHE 60 -7.794 -10.825 -10.825 409 HD1 PHE 60 HD1 PHE 60 -4.745 -9.282 -9.282 410 HD2 PHE 60 HD2 PHE 60 -6.322 -12.189 -12.189 411 HE1 PHE 60 HE1 PHE 60 -2.438 -9.931 -9.931 412 HE2 PHE 60 HE2 PHE 60 -4.015 -12.838 -12.838 413 HZ PHE 60 HZ PHE 60 -2.073 -11.710 -11.710 Start of MODEL 12 1 1H GLU 1 HT3 GLU 1 11.910 -6.210 -6.210 2 2H GLU 1 HT2 GLU 1 10.971 -6.786 -6.786 3 3H GLU 1 HT1 GLU 1 12.480 -7.489 -7.489 4 HA GLU 1 HA GLU 1 11.677 -8.808 -8.808 5 1HB GLU 1 HB2 GLU 1 9.150 -7.792 -7.792 6 2HB GLU 1 HB1 GLU 1 9.169 -9.153 -9.153 7 1HG GLU 1 HG2 GLU 1 10.474 -10.484 -10.484 8 2HG GLU 1 HG1 GLU 1 11.026 -9.093 -9.093 9 H ALA 2 HN ALA 2 10.266 -9.040 -9.040 10 HA ALA 2 HA ALA 2 9.445 -6.460 -6.460 11 1HB ALA 2 HB3 ALA 2 11.904 -7.040 -7.040 12 2HB ALA 2 HB2 ALA 2 11.230 -8.327 -8.327 13 3HB ALA 2 HB1 ALA 2 10.834 -6.645 -6.645 14 H GLN 3 HN GLN 3 7.689 -8.405 -8.405 15 HA GLN 3 HA GLN 3 6.975 -9.981 -9.981 16 1HB GLN 3 HB2 GLN 3 6.405 -10.183 -10.183 17 2HB GLN 3 HB1 GLN 3 5.186 -10.797 -10.797 18 1HG GLN 3 HG2 GLN 3 6.644 -12.638 -12.638 19 2HG GLN 3 HG1 GLN 3 7.059 -12.084 -12.084 20 1HE2 GLN 3 HE22 GLN 3 10.355 -11.199 -11.199 21 2HE2 GLN 3 HE21 GLN 3 9.200 -11.364 -11.364 22 H THR 4 HN THR 4 5.955 -8.446 -8.446 23 HA THR 4 HA THR 4 3.281 -7.666 -7.666 24 HB THR 4 HB THR 4 3.975 -5.204 -5.204 25 HG1 THR 4 HG1 THR 4 6.265 -6.077 -6.077 26 1HG2 THR 4 HG22 THR 4 3.081 -6.251 -6.251 27 2HG2 THR 4 HG21 THR 4 4.724 -5.909 -5.909 28 3HG2 THR 4 HG23 THR 4 3.701 -4.601 -4.601 29 H GLU 5 HN GLU 5 2.464 -6.049 -6.049 30 HA GLU 5 HA GLU 5 2.974 -7.623 -7.623 31 1HB GLU 5 HB2 GLU 5 1.042 -5.337 -5.337 32 2HB GLU 5 HB1 GLU 5 1.069 -6.388 -6.388 33 1HG GLU 5 HG2 GLU 5 0.826 -8.333 -8.333 34 2HG GLU 5 HG1 GLU 5 0.320 -7.077 -7.077 35 H THR 6 HN THR 6 4.125 -6.870 -6.870 36 HA THR 6 HA THR 6 4.980 -4.028 -4.028 37 HB THR 6 HB THR 6 6.679 -6.375 -6.375 38 HG1 THR 6 HG1 THR 6 7.844 -5.782 -5.782 39 1HG2 THR 6 HG23 THR 6 7.152 -3.409 -3.409 40 2HG2 THR 6 HG22 THR 6 8.475 -4.571 -4.571 41 3HG2 THR 6 HG21 THR 6 7.361 -4.391 -4.391 42 H CYS 7 HN CYS 7 4.650 -2.952 -2.952 43 HA CYS 7 HA CYS 7 4.046 -4.636 -4.636 44 1HB CYS 7 HB2 CYS 7 2.579 -2.302 -2.302 45 2HB CYS 7 HB1 CYS 7 2.578 -2.507 -2.507 46 H THR 8 HN THR 8 6.117 -2.313 -2.313 47 HA THR 8 HA THR 8 6.562 -0.666 -0.666 48 HB THR 8 HB THR 8 7.274 0.113 0.113 49 HG1 THR 8 HG1 THR 8 9.261 -0.486 -0.486 50 1HG2 THR 8 HG22 THR 8 7.687 -2.200 -2.200 51 2HG2 THR 8 HG21 THR 8 9.217 -2.211 -2.211 52 3HG2 THR 8 HG23 THR 8 8.943 -1.030 -1.030 53 H VAL 9 HN VAL 9 7.653 -1.193 -1.193 54 HA VAL 9 HA VAL 9 9.704 -3.309 -3.309 55 HB VAL 9 HB VAL 9 7.489 -3.269 -3.269 56 1HG1 VAL 9 HG12 VAL 9 9.927 -4.952 -4.952 57 2HG1 VAL 9 HG11 VAL 9 8.511 -5.681 -5.681 58 3HG1 VAL 9 HG13 VAL 9 9.314 -4.309 -4.309 59 1HG2 VAL 9 HG21 VAL 9 7.915 -5.099 -5.099 60 2HG2 VAL 9 HG23 VAL 9 6.615 -3.919 -3.919 61 3HG2 VAL 9 HG22 VAL 9 6.684 -5.319 -5.319 62 H ALA 10 HN ALA 10 10.839 -3.395 -3.395 63 HA ALA 10 HA ALA 10 11.672 -0.692 -0.692 64 1HB ALA 10 HB1 ALA 10 13.191 -2.715 -2.715 65 2HB ALA 10 HB3 ALA 10 12.391 -3.223 -3.223 66 3HB ALA 10 HB2 ALA 10 13.299 -1.712 -1.712 67 HA PRO 11 HA PRO 11 8.768 0.674 0.674 68 1HB PRO 11 HB2 PRO 11 11.068 1.269 1.269 69 2HB PRO 11 HB1 PRO 11 9.861 2.366 2.366 70 1HG PRO 11 HG2 PRO 11 12.526 1.873 1.873 71 2HG PRO 11 HG1 PRO 11 11.326 2.991 2.991 72 1HD PRO 11 HD2 PRO 11 12.258 0.716 0.716 73 2HD PRO 11 HD1 PRO 11 10.738 1.551 1.551 74 H ARG 12 HN ARG 12 11.554 -1.344 -1.344 75 HA ARG 12 HA ARG 12 10.137 -2.229 -2.229 76 1HB ARG 12 HB2 ARG 12 12.838 -2.721 -2.721 77 2HB ARG 12 HB1 ARG 12 12.227 -3.827 -3.827 78 1HG ARG 12 HG2 ARG 12 11.703 -1.684 -1.684 79 2HG ARG 12 HG1 ARG 12 12.805 -0.880 -0.880 80 1HD ARG 12 HD2 ARG 12 14.074 -1.609 -1.609 81 2HD ARG 12 HD1 ARG 12 14.538 -2.604 -2.604 82 HE ARG 12 HE ARG 12 13.493 -4.446 -4.446 83 1HH1 ARG 12 HH11 ARG 12 12.797 -1.467 -1.467 84 2HH1 ARG 12 HH12 ARG 12 12.103 -2.253 -2.253 85 1HH2 ARG 12 HH21 ARG 12 12.580 -5.453 -5.453 86 2HH2 ARG 12 HH22 ARG 12 11.981 -4.499 -4.499 87 H GLU 13 HN GLU 13 11.062 -3.582 -3.582 88 HA GLU 13 HA GLU 13 9.935 -6.175 -6.175 89 1HB GLU 13 HB2 GLU 13 10.930 -4.910 -4.910 90 2HB GLU 13 HB1 GLU 13 10.312 -6.561 -6.561 91 1HG GLU 13 HG2 GLU 13 12.050 -6.673 -6.673 92 2HG GLU 13 HG1 GLU 13 12.847 -5.424 -5.424 93 H ARG 14 HN ARG 14 8.054 -4.045 -4.045 94 HA ARG 14 HA ARG 14 6.169 -4.409 -4.409 95 1HB ARG 14 HB2 ARG 14 6.177 -2.358 -2.358 96 2HB ARG 14 HB1 ARG 14 4.994 -2.444 -2.444 97 1HG ARG 14 HG2 ARG 14 7.194 -2.407 -2.407 98 2HG ARG 14 HG1 ARG 14 7.854 -1.590 -1.590 99 1HD ARG 14 HD2 ARG 14 6.236 0.153 0.153 100 2HD ARG 14 HD1 ARG 14 5.241 -0.752 -0.752 101 HE ARG 14 HE ARG 14 7.875 -0.264 -0.264 102 1HH1 ARG 14 HH11 ARG 14 4.748 1.163 1.163 103 2HH1 ARG 14 HH12 ARG 14 4.889 2.310 2.310 104 1HH2 ARG 14 HH21 ARG 14 8.039 1.247 1.247 105 2HH2 ARG 14 HH22 ARG 14 6.745 2.357 2.357 106 H GLN 15 HN GLN 15 4.448 -5.763 -5.763 107 HA GLN 15 HA GLN 15 3.958 -6.721 -6.721 108 1HB GLN 15 HB2 GLN 15 3.277 -7.695 -7.695 109 2HB GLN 15 HB1 GLN 15 2.313 -8.242 -8.242 110 1HG GLN 15 HG2 GLN 15 3.941 -9.854 -9.854 111 2HG GLN 15 HG1 GLN 15 4.777 -8.609 -8.609 112 1HE2 GLN 15 HE22 GLN 15 6.805 -9.908 -9.908 113 2HE2 GLN 15 HE21 GLN 15 5.846 -10.767 -10.767 114 H ASN 16 HN ASN 16 2.483 -5.530 -5.530 115 HA ASN 16 HA ASN 16 0.674 -3.683 -3.683 116 1HB ASN 16 HB2 ASN 16 1.500 -4.242 -4.242 117 2HB ASN 16 HB1 ASN 16 -0.103 -4.972 -4.972 118 1HD2 ASN 16 HD22 ASN 16 -0.419 -1.342 -1.342 119 2HD2 ASN 16 HD21 ASN 16 0.450 -2.652 -2.652 120 H CYS 17 HN CYS 17 -1.237 -3.978 -3.978 121 HA CYS 17 HA CYS 17 -2.433 -6.677 -6.677 122 1HB CYS 17 HB2 CYS 17 -1.860 -5.141 -5.141 123 2HB CYS 17 HB1 CYS 17 -3.451 -4.477 -4.477 124 H GLY 18 HN GLY 18 -2.873 -3.465 -3.465 125 1HA GLY 18 HA2 GLY 18 -5.134 -4.206 -4.206 126 2HA GLY 18 HA1 GLY 18 -5.639 -3.209 -3.209 127 H PHE 19 HN PHE 19 -6.110 -1.988 -1.988 128 HA PHE 19 HA PHE 19 -3.883 -0.595 -0.595 129 1HB PHE 19 HB2 PHE 19 -5.702 0.990 0.990 130 2HB PHE 19 HB1 PHE 19 -5.814 -0.695 -0.695 131 HD1 PHE 19 HD1 PHE 19 -7.439 -2.230 -2.230 132 HD2 PHE 19 HD2 PHE 19 -7.418 2.012 2.012 133 HE1 PHE 19 HE1 PHE 19 -9.733 -2.368 -2.368 134 HE2 PHE 19 HE2 PHE 19 -9.713 1.871 1.871 135 HZ PHE 19 HZ PHE 19 -10.868 -0.317 -0.317 136 HA PRO 20 HA PRO 20 -3.325 2.701 2.701 137 1HB PRO 20 HB2 PRO 20 -2.739 4.804 4.804 138 2HB PRO 20 HB1 PRO 20 -1.601 3.571 3.571 139 1HG PRO 20 HG2 PRO 20 -2.639 3.960 3.960 140 2HG PRO 20 HG1 PRO 20 -1.480 2.746 2.746 141 1HD PRO 20 HD2 PRO 20 -4.340 2.446 2.446 142 2HD PRO 20 HD1 PRO 20 -3.097 1.196 1.196 143 H GLY 21 HN GLY 21 -5.617 3.405 3.405 144 1HA GLY 21 HA2 GLY 21 -6.672 5.831 5.831 145 2HA GLY 21 HA1 GLY 21 -7.567 4.652 4.652 146 H VAL 22 HN VAL 22 -6.735 2.732 2.732 147 HA VAL 22 HA VAL 22 -9.271 2.743 2.743 148 HB VAL 22 HB VAL 22 -8.157 1.303 1.303 149 1HG1 VAL 22 HG11 VAL 22 -8.996 0.453 0.453 150 2HG1 VAL 22 HG13 VAL 22 -7.337 0.570 0.570 151 3HG1 VAL 22 HG12 VAL 22 -7.728 -0.528 -0.528 152 1HG2 VAL 22 HG21 VAL 22 -5.722 2.163 2.163 153 2HG2 VAL 22 HG23 VAL 22 -5.976 2.239 2.239 154 3HG2 VAL 22 HG22 VAL 22 -5.736 0.681 0.681 155 H THR 23 HN THR 23 -9.009 2.763 2.763 156 HA THR 23 HA THR 23 -7.654 5.248 5.248 157 HB THR 23 HB THR 23 -9.757 6.089 6.089 158 HG1 THR 23 HG1 THR 23 -10.831 3.919 3.919 159 1HG2 THR 23 HG21 THR 23 -8.894 6.558 6.558 160 2HG2 THR 23 HG23 THR 23 -10.386 5.729 5.729 161 3HG2 THR 23 HG22 THR 23 -10.446 7.189 7.189 162 HA PRO 24 HA PRO 24 -6.492 3.399 3.399 163 1HB PRO 24 HB2 PRO 24 -8.182 5.265 5.265 164 2HB PRO 24 HB1 PRO 24 -6.421 5.096 5.096 165 1HG PRO 24 HG2 PRO 24 -8.044 7.021 7.021 166 2HG PRO 24 HG1 PRO 24 -6.279 6.922 6.922 167 1HD PRO 24 HD2 PRO 24 -7.727 6.486 6.486 168 2HD PRO 24 HD1 PRO 24 -6.106 5.824 5.824 169 H SER 25 HN SER 25 -9.935 4.123 4.123 170 HA SER 25 HA SER 25 -10.865 2.320 2.320 171 1HB SER 25 HB2 SER 25 -13.065 2.816 2.816 172 2HB SER 25 HB1 SER 25 -12.144 4.317 4.317 173 HG SER 25 HG SER 25 -11.866 4.096 4.096 174 H GLN 26 HN GLN 26 -10.824 2.213 2.213 175 HA GLN 26 HA GLN 26 -11.834 -0.428 -0.428 176 1HB GLN 26 HB2 GLN 26 -10.268 1.384 1.384 177 2HB GLN 26 HB1 GLN 26 -10.522 -0.301 -0.301 178 1HG GLN 26 HG2 GLN 26 -12.927 -0.037 -0.037 179 2HG GLN 26 HG1 GLN 26 -12.754 1.592 1.592 180 1HE2 GLN 26 HE22 GLN 26 -13.086 1.342 1.342 181 2HE2 GLN 26 HE21 GLN 26 -13.760 0.289 0.289 182 H CYS 27 HN CYS 27 -8.452 0.806 0.806 183 HA CYS 27 HA CYS 27 -7.213 -1.718 -1.718 184 1HB CYS 27 HB2 CYS 27 -6.152 0.598 0.598 185 2HB CYS 27 HB1 CYS 27 -6.074 0.610 0.610 186 H ALA 28 HN ALA 28 -8.472 -0.004 -0.004 187 HA ALA 28 HA ALA 28 -7.351 -2.017 -2.017 188 1HB ALA 28 HB1 ALA 28 -9.121 0.396 0.396 189 2HB ALA 28 HB3 ALA 28 -8.529 -0.660 -0.660 190 3HB ALA 28 HB2 ALA 28 -7.390 0.280 0.280 191 H ASN 29 HN ASN 29 -10.028 -1.850 -1.850 192 HA ASN 29 HA ASN 29 -11.977 -3.030 -3.030 193 1HB ASN 29 HB2 ASN 29 -12.309 -1.621 -1.621 194 2HB ASN 29 HB1 ASN 29 -12.207 -3.211 -3.211 195 1HD2 ASN 29 HD22 ASN 29 -15.749 -2.307 -2.307 196 2HD2 ASN 29 HD21 ASN 29 -14.596 -1.325 -1.325 197 H LYS 30 HN LYS 30 -9.749 -4.199 -4.199 198 HA LYS 30 HA LYS 30 -10.716 -6.930 -6.930 199 1HB LYS 30 HB2 LYS 30 -8.798 -5.510 -5.510 200 2HB LYS 30 HB1 LYS 30 -8.535 -7.235 -7.235 201 1HG LYS 30 HG2 LYS 30 -10.816 -7.733 -7.733 202 2HG LYS 30 HG1 LYS 30 -11.169 -6.012 -6.012 203 1HD LYS 30 HD2 LYS 30 -8.913 -7.307 -7.307 204 2HD LYS 30 HD1 LYS 30 -10.562 -7.295 -7.295 205 1HE LYS 30 HE2 LYS 30 -10.576 -4.793 -4.793 206 2HE LYS 30 HE1 LYS 30 -8.861 -4.889 -4.889 207 1HZ LYS 30 HZ2 LYS 30 -8.472 -5.933 -5.933 208 2HZ LYS 30 HZ1 LYS 30 -10.121 -5.795 -5.795 209 3HZ LYS 30 HZ3 LYS 30 -9.181 -4.399 -4.399 210 H GLY 31 HN GLY 31 -7.686 -5.114 -5.114 211 1HA GLY 31 HA2 GLY 31 -6.900 -5.827 -5.827 212 2HA GLY 31 HA1 GLY 31 -6.796 -7.421 -7.421 213 H CYS 32 HN CYS 32 -6.080 -4.920 -4.920 214 HA CYS 32 HA CYS 32 -3.262 -5.711 -5.711 215 1HB CYS 32 HB2 CYS 32 -4.648 -3.714 -3.714 216 2HB CYS 32 HB1 CYS 32 -3.102 -4.508 -4.508 217 H CYS 33 HN CYS 33 -1.572 -4.375 -4.375 218 HA CYS 33 HA CYS 33 -2.256 -2.179 -2.179 219 1HB CYS 33 HB2 CYS 33 0.264 -3.480 -3.480 220 2HB CYS 33 HB1 CYS 33 0.385 -1.835 -1.835 221 H PHE 34 HN PHE 34 -2.597 -0.085 -0.085 222 HA PHE 34 HA PHE 34 -2.008 0.756 0.756 223 1HB PHE 34 HB2 PHE 34 -4.271 1.135 1.135 224 2HB PHE 34 HB1 PHE 34 -3.475 2.281 2.281 225 HD1 PHE 34 HD2 PHE 34 -3.804 1.492 1.492 226 HD2 PHE 34 HD1 PHE 34 -3.303 4.517 4.517 227 HE1 PHE 34 HE2 PHE 34 -3.976 3.253 3.253 228 HE2 PHE 34 HE1 PHE 34 -3.477 6.276 6.276 229 HZ PHE 34 HZ PHE 34 -3.813 5.645 5.645 230 H ASP 35 HN ASP 35 -0.672 2.598 2.598 231 HA ASP 35 HA ASP 35 0.612 3.968 3.968 232 1HB ASP 35 HB2 ASP 35 1.961 1.884 1.884 233 2HB ASP 35 HB1 ASP 35 2.269 2.406 2.406 234 H ASP 36 HN ASP 36 -0.176 5.936 5.936 235 HA ASP 36 HA ASP 36 0.616 6.599 6.599 236 1HB ASP 36 HB2 ASP 36 -0.998 8.493 8.493 237 2HB ASP 36 HB1 ASP 36 -1.758 6.910 6.910 238 H THR 37 HN THR 37 2.893 6.765 6.765 239 HA THR 37 HA THR 37 3.212 9.457 9.457 240 HB THR 37 HB THR 37 5.409 8.489 8.489 241 HG1 THR 37 HG1 THR 37 5.827 6.477 6.477 242 1HG2 THR 37 HG23 THR 37 3.034 8.641 8.641 243 2HG2 THR 37 HG22 THR 37 3.151 6.882 6.882 244 3HG2 THR 37 HG21 THR 37 4.386 7.820 7.820 245 H VAL 38 HN VAL 38 4.629 7.057 7.057 246 HA VAL 38 HA VAL 38 6.152 9.283 9.283 247 HB VAL 38 HB VAL 38 6.628 6.299 6.299 248 1HG1 VAL 38 HG13 VAL 38 7.966 8.776 8.776 249 2HG1 VAL 38 HG12 VAL 38 8.939 7.342 7.342 250 3HG1 VAL 38 HG11 VAL 38 7.620 7.261 7.261 251 1HG2 VAL 38 HG23 VAL 38 7.885 8.408 8.408 252 2HG2 VAL 38 HG22 VAL 38 7.101 6.910 6.910 253 3HG2 VAL 38 HG21 VAL 38 8.653 6.856 6.856 254 H ARG 39 HN ARG 39 6.260 9.251 9.251 255 HA ARG 39 HA ARG 39 3.702 8.296 8.296 256 1HB ARG 39 HB2 ARG 39 4.808 10.748 10.748 257 2HB ARG 39 HB1 ARG 39 5.546 10.009 10.009 258 1HG ARG 39 HG2 ARG 39 3.411 9.481 9.481 259 2HG ARG 39 HG1 ARG 39 2.575 9.873 9.873 260 1HD ARG 39 HD2 ARG 39 2.321 11.711 11.711 261 2HD ARG 39 HD1 ARG 39 3.298 12.234 12.234 262 HE ARG 39 HE ARG 39 4.453 11.420 11.420 263 1HH1 ARG 39 HH21 ARG 39 4.426 13.390 13.390 264 2HH1 ARG 39 HH22 ARG 39 5.823 14.300 14.300 265 1HH2 ARG 39 HH11 ARG 39 6.277 12.631 12.631 266 2HH2 ARG 39 HH12 ARG 39 6.864 13.874 13.874 267 H GLY 40 HN GLY 40 3.906 7.575 7.575 268 1HA GLY 40 HA2 GLY 40 4.990 6.328 6.328 269 2HA GLY 40 HA1 GLY 40 6.453 6.326 6.326 270 H VAL 41 HN VAL 41 5.908 5.134 5.134 271 HA VAL 41 HA VAL 41 5.461 2.393 2.393 272 HB VAL 41 HB VAL 41 5.636 2.020 2.020 273 1HG1 VAL 41 HG11 VAL 41 7.654 3.785 3.785 274 2HG1 VAL 41 HG13 VAL 41 7.952 3.105 3.105 275 3HG1 VAL 41 HG12 VAL 41 7.705 2.036 2.036 276 1HG2 VAL 41 HG21 VAL 41 5.604 5.045 5.045 277 2HG2 VAL 41 HG23 VAL 41 4.574 3.957 3.957 278 3HG2 VAL 41 HG22 VAL 41 6.280 4.123 4.123 279 HA PRO 42 HA PRO 42 1.103 2.080 2.080 280 1HB PRO 42 HB2 PRO 42 1.043 -0.526 -0.526 281 2HB PRO 42 HB1 PRO 42 1.093 -0.072 -0.072 282 1HG PRO 42 HG2 PRO 42 3.106 -1.396 -1.396 283 2HG PRO 42 HG1 PRO 42 3.167 -0.905 -0.905 284 1HD PRO 42 HD2 PRO 42 4.338 0.419 0.419 285 2HD PRO 42 HD1 PRO 42 4.785 0.566 0.566 286 H TRP 43 HN TRP 43 -0.122 2.867 2.867 287 HA TRP 43 HA TRP 43 0.952 2.926 2.926 288 1HB TRP 43 HB2 TRP 43 -1.862 3.593 3.593 289 2HB TRP 43 HB1 TRP 43 -1.074 4.127 4.127 290 HD1 TRP 43 HD1 TRP 43 1.742 4.944 4.944 291 HE1 TRP 43 HE1 TRP 43 1.905 7.062 7.062 292 HE3 TRP 43 HE3 TRP 43 -3.158 5.470 5.470 293 HZ2 TRP 43 HZ2 TRP 43 0.185 8.755 8.755 294 HZ3 TRP 43 HZ3 TRP 43 -3.867 7.344 7.344 295 HH2 TRP 43 HH2 TRP 43 -2.204 8.985 8.985 296 H CYS 44 HN CYS 44 -1.727 1.144 1.144 297 HA CYS 44 HA CYS 44 -2.247 -0.330 -0.330 298 1HB CYS 44 HB2 CYS 44 -4.041 0.443 0.443 299 2HB CYS 44 HB1 CYS 44 -3.455 -0.835 -0.835 300 H PHE 45 HN PHE 45 -0.796 -1.964 -1.964 301 HA PHE 45 HA PHE 45 -0.208 -3.890 -3.890 302 1HB PHE 45 HB2 PHE 45 2.171 -3.918 -3.918 303 2HB PHE 45 HB1 PHE 45 1.693 -2.276 -2.276 304 HD1 PHE 45 HD1 PHE 45 0.839 -0.858 -0.858 305 HD2 PHE 45 HD2 PHE 45 3.538 -4.191 -4.191 306 HE1 PHE 45 HE1 PHE 45 1.722 -0.065 -0.065 307 HE2 PHE 45 HE2 PHE 45 4.423 -3.400 -3.400 308 HZ PHE 45 HZ PHE 45 3.514 -1.336 -1.336 309 H TYR 46 HN TYR 46 1.080 -5.848 -5.848 310 HA TYR 46 HA TYR 46 -0.634 -6.825 -6.825 311 1HB TYR 46 HB2 TYR 46 1.677 -7.892 -7.892 312 2HB TYR 46 HB1 TYR 46 1.218 -8.716 -8.716 313 HD1 TYR 46 HD2 TYR 46 -1.112 -9.598 -9.598 314 HD2 TYR 46 HD1 TYR 46 0.309 -8.010 -8.010 315 HE1 TYR 46 HE2 TYR 46 -3.009 -10.673 -10.673 316 HE2 TYR 46 HE1 TYR 46 -1.589 -9.083 -9.083 317 HH TYR 46 HH TYR 46 -3.305 -10.498 -10.498 318 HA PRO 47 HA PRO 47 2.062 -5.983 -5.983 319 1HB PRO 47 HB2 PRO 47 1.284 -8.026 -8.026 320 2HB PRO 47 HB1 PRO 47 0.280 -6.616 -6.616 321 1HG PRO 47 HG2 PRO 47 -0.152 -9.358 -9.358 322 2HG PRO 47 HG1 PRO 47 -1.203 -7.958 -7.958 323 1HD PRO 47 HD2 PRO 47 0.687 -9.254 -9.254 324 2HD PRO 47 HD1 PRO 47 -0.694 -8.190 -8.190 325 H ASN 48 HN ASN 48 3.498 -7.289 -7.289 326 HA ASN 48 HA ASN 48 4.823 -9.642 -9.642 327 1HB ASN 48 HB2 ASN 48 5.995 -6.906 -6.906 328 2HB ASN 48 HB1 ASN 48 7.072 -8.210 -8.210 329 1HD2 ASN 48 HD22 ASN 48 7.013 -7.995 -7.995 330 2HD2 ASN 48 HD21 ASN 48 7.342 -6.865 -6.865 331 H THR 49 HN THR 49 3.997 -10.404 -10.404 332 HA THR 49 HA THR 49 4.944 -9.143 -9.143 333 HB THR 49 HB THR 49 3.979 -11.164 -11.164 334 HG1 THR 49 HG1 THR 49 2.904 -12.041 -12.041 335 1HG2 THR 49 HG23 THR 49 2.626 -9.127 -9.127 336 2HG2 THR 49 HG22 THR 49 2.079 -10.171 -10.171 337 3HG2 THR 49 HG21 THR 49 1.725 -10.599 -10.599 338 H ILE 50 HN ILE 50 6.797 -9.626 -9.626 339 HA ILE 50 HA ILE 50 8.436 -11.888 -11.888 340 HB ILE 50 HB ILE 50 9.442 -9.274 -9.274 341 1HG1 ILE 50 HG12 ILE 50 9.679 -10.155 -10.155 342 2HG1 ILE 50 HG11 ILE 50 8.286 -9.228 -9.228 343 1HG2 ILE 50 HG23 ILE 50 10.704 -11.804 -11.804 344 2HG2 ILE 50 HG22 ILE 50 11.547 -10.281 -10.281 345 3HG2 ILE 50 HG21 ILE 50 11.163 -10.783 -10.783 346 1HD1 ILE 50 HD11 ILE 50 10.981 -8.220 -8.220 347 2HD1 ILE 50 HD13 ILE 50 10.508 -8.035 -8.035 348 3HD1 ILE 50 HD12 ILE 50 9.520 -7.320 -7.320 349 H ASP 51 HN ASP 51 9.810 -12.924 -12.924 350 HA ASP 51 HA ASP 51 9.446 -12.254 -12.254 351 1HB ASP 51 HB2 ASP 51 8.322 -14.411 -14.411 352 2HB ASP 51 HB1 ASP 51 7.291 -13.334 -13.334 353 H VAL 52 HN VAL 52 10.888 -13.511 -13.511 354 HA VAL 52 HA VAL 52 13.119 -14.630 -14.630 355 HB VAL 52 HB VAL 52 14.100 -14.937 -14.937 356 1HG1 VAL 52 HG13 VAL 52 12.878 -12.246 -12.246 357 2HG1 VAL 52 HG12 VAL 52 14.115 -12.479 -12.479 358 3HG1 VAL 52 HG11 VAL 52 14.478 -12.829 -12.829 359 1HG2 VAL 52 HG23 VAL 52 11.333 -14.008 -14.008 360 2HG2 VAL 52 HG22 VAL 52 12.238 -15.391 -15.391 361 3HG2 VAL 52 HG21 VAL 52 12.711 -13.754 -13.754 362 HA PRO 53 HA PRO 53 12.111 -18.940 -18.940 363 1HB PRO 53 HB2 PRO 53 14.554 -19.591 -19.591 364 2HB PRO 53 HB1 PRO 53 14.135 -19.961 -19.961 365 1HG PRO 53 HG2 PRO 53 15.810 -17.857 -17.857 366 2HG PRO 53 HG1 PRO 53 15.464 -18.288 -18.288 367 1HD PRO 53 HD2 PRO 53 14.629 -15.951 -15.951 368 2HD PRO 53 HD1 PRO 53 13.845 -16.685 -16.685 369 HA PRO 54 HA PRO 54 10.689 -19.381 -19.381 370 1HB PRO 54 HB2 PRO 54 8.007 -19.506 -19.506 371 2HB PRO 54 HB1 PRO 54 8.877 -18.013 -18.013 372 1HG PRO 54 HG2 PRO 54 7.750 -18.793 -18.793 373 2HG PRO 54 HG1 PRO 54 8.619 -17.302 -17.302 374 1HD PRO 54 HD2 PRO 54 9.617 -19.751 -19.751 375 2HD PRO 54 HD1 PRO 54 10.248 -18.090 -18.090 376 H GLU 55 HN GLU 55 8.595 -20.945 -20.945 377 HA GLU 55 HA GLU 55 9.569 -23.582 -23.582 378 1HB GLU 55 HB2 GLU 55 7.635 -22.994 -22.994 379 2HB GLU 55 HB1 GLU 55 6.626 -22.860 -22.860 380 1HG GLU 55 HG2 GLU 55 6.652 -25.136 -25.136 381 2HG GLU 55 HG1 GLU 55 8.227 -25.359 -25.359 382 H GLU 56 HN GLU 56 9.773 -24.879 -24.879 383 HA GLU 56 HA GLU 56 8.805 -23.880 -23.880 384 1HB GLU 56 HB2 GLU 56 11.026 -25.242 -25.242 385 2HB GLU 56 HB1 GLU 56 9.985 -26.603 -26.603 386 1HG GLU 56 HG2 GLU 56 9.415 -25.253 -25.253 387 2HG GLU 56 HG1 GLU 56 10.844 -24.295 -24.295 388 H GLU 57 HN GLU 57 7.584 -25.393 -25.393 389 HA GLU 57 HA GLU 57 5.732 -27.138 -27.138 390 1HB GLU 57 HB2 GLU 57 4.760 -24.886 -24.886 391 2HB GLU 57 HB1 GLU 57 4.926 -25.462 -25.462 392 1HG GLU 57 HG2 GLU 57 2.790 -26.217 -26.217 393 2HG GLU 57 HG1 GLU 57 3.688 -27.602 -27.602 394 H SER 58 HN SER 58 6.462 -29.159 -29.159 395 HA SER 58 HA SER 58 7.084 -29.558 -29.558 396 1HB SER 58 HB2 SER 58 8.115 -31.620 -31.620 397 2HB SER 58 HB1 SER 58 8.633 -30.386 -30.386 398 HG SER 58 HG SER 58 7.682 -32.567 -32.567 399 H GLU 59 HN GLU 59 5.593 -30.501 -30.501 400 HA GLU 59 HA GLU 59 3.517 -32.215 -32.215 401 1HB GLU 59 HB2 GLU 59 2.700 -29.835 -29.835 402 2HB GLU 59 HB1 GLU 59 2.914 -30.196 -30.196 403 1HG GLU 59 HG2 GLU 59 1.224 -31.804 -31.804 404 2HG GLU 59 HG1 GLU 59 1.353 -32.098 -32.098 405 H PHE 60 HN PHE 60 4.061 -34.186 -34.186 406 HA PHE 60 HA PHE 60 4.637 -34.223 -34.223 407 1HB PHE 60 HB2 PHE 60 5.713 -36.434 -36.434 408 2HB PHE 60 HB1 PHE 60 6.494 -35.091 -35.091 409 HD1 PHE 60 HD1 PHE 60 5.854 -34.629 -34.629 410 HD2 PHE 60 HD2 PHE 60 4.787 -38.246 -38.246 411 HE1 PHE 60 HE1 PHE 60 5.445 -35.745 -35.745 412 HE2 PHE 60 HE2 PHE 60 4.379 -39.362 -39.362 413 HZ PHE 60 HZ PHE 60 4.707 -38.112 -38.112 Start of MODEL 13 1 1H GLU 1 HT1 GLU 1 5.580 -15.062 -15.062 2 2H GLU 1 HT3 GLU 1 4.182 -15.390 -15.390 3 3H GLU 1 HT2 GLU 1 4.820 -16.576 -16.576 4 HA GLU 1 HA GLU 1 3.386 -15.878 -15.878 5 1HB GLU 1 HB2 GLU 1 3.193 -13.352 -13.352 6 2HB GLU 1 HB1 GLU 1 2.173 -13.717 -13.717 7 1HG GLU 1 HG2 GLU 1 1.041 -15.420 -15.420 8 2HG GLU 1 HG1 GLU 1 2.381 -15.739 -15.739 9 H ALA 2 HN ALA 2 3.839 -15.081 -15.081 10 HA ALA 2 HA ALA 2 5.652 -12.782 -12.782 11 1HB ALA 2 HB2 ALA 2 6.296 -15.606 -15.606 12 2HB ALA 2 HB1 ALA 2 6.831 -14.328 -14.328 13 3HB ALA 2 HB3 ALA 2 7.361 -14.333 -14.333 14 H GLN 3 HN GLN 3 3.655 -11.802 -11.802 15 HA GLN 3 HA GLN 3 3.205 -12.591 -12.591 16 1HB GLN 3 HB2 GLN 3 1.210 -12.397 -12.397 17 2HB GLN 3 HB1 GLN 3 0.728 -11.800 -11.800 18 1HG GLN 3 HG2 GLN 3 0.140 -14.017 -14.017 19 2HG GLN 3 HG1 GLN 3 1.819 -14.110 -14.110 20 1HE2 GLN 3 HE22 GLN 3 0.803 -15.656 -15.656 21 2HE2 GLN 3 HE21 GLN 3 -0.233 -14.539 -14.539 22 H THR 4 HN THR 4 4.193 -10.792 -10.792 23 HA THR 4 HA THR 4 3.119 -8.153 -8.153 24 HB THR 4 HB THR 4 5.324 -7.205 -7.205 25 HG1 THR 4 HG1 THR 4 5.630 -9.753 -9.753 26 1HG2 THR 4 HG23 THR 4 5.362 -9.400 -9.400 27 2HG2 THR 4 HG22 THR 4 6.609 -8.161 -8.161 28 3HG2 THR 4 HG21 THR 4 4.957 -7.703 -7.703 29 H GLU 5 HN GLU 5 2.459 -6.782 -6.782 30 HA GLU 5 HA GLU 5 2.587 -7.981 -7.981 31 1HB GLU 5 HB2 GLU 5 0.600 -6.100 -6.100 32 2HB GLU 5 HB1 GLU 5 0.634 -6.407 -6.407 33 1HG GLU 5 HG2 GLU 5 -0.954 -7.953 -7.953 34 2HG GLU 5 HG1 GLU 5 0.512 -8.904 -8.904 35 H THR 6 HN THR 6 3.447 -6.755 -6.755 36 HA THR 6 HA THR 6 4.056 -3.925 -3.925 37 HB THR 6 HB THR 6 6.303 -5.688 -5.688 38 HG1 THR 6 HG1 THR 6 5.427 -5.231 -5.231 39 1HG2 THR 6 HG21 THR 6 6.440 -3.225 -3.225 40 2HG2 THR 6 HG23 THR 6 6.182 -3.072 -3.072 41 3HG2 THR 6 HG22 THR 6 7.644 -3.848 -3.848 42 H CYS 7 HN CYS 7 3.975 -2.770 -2.770 43 HA CYS 7 HA CYS 7 3.624 -4.396 -4.396 44 1HB CYS 7 HB2 CYS 7 2.651 -1.587 -1.587 45 2HB CYS 7 HB1 CYS 7 2.345 -2.480 -2.480 46 H THR 8 HN THR 8 6.238 -3.637 -3.637 47 HA THR 8 HA THR 8 7.124 -1.441 -1.441 48 HB THR 8 HB THR 8 8.005 -1.491 -1.491 49 HG1 THR 8 HG1 THR 8 10.230 -2.404 -2.404 50 1HG2 THR 8 HG22 THR 8 7.851 -4.199 -4.199 51 2HG2 THR 8 HG21 THR 8 9.579 -3.962 -3.962 52 3HG2 THR 8 HG23 THR 8 8.812 -3.358 -3.358 53 H VAL 9 HN VAL 9 7.971 -1.820 -1.820 54 HA VAL 9 HA VAL 9 9.372 -4.353 -4.353 55 HB VAL 9 HB VAL 9 7.100 -3.379 -3.379 56 1HG1 VAL 9 HG11 VAL 9 9.123 -5.587 -5.587 57 2HG1 VAL 9 HG13 VAL 9 7.515 -5.866 -5.866 58 3HG1 VAL 9 HG12 VAL 9 8.511 -4.549 -4.549 59 1HG2 VAL 9 HG23 VAL 9 7.267 -5.614 -5.614 60 2HG2 VAL 9 HG22 VAL 9 6.127 -4.268 -4.268 61 3HG2 VAL 9 HG21 VAL 9 6.020 -5.540 -5.540 62 H ALA 10 HN ALA 10 10.561 -4.236 -4.236 63 HA ALA 10 HA ALA 10 11.736 -1.609 -1.609 64 1HB ALA 10 HB1 ALA 10 12.387 -4.334 -4.334 65 2HB ALA 10 HB3 ALA 10 12.648 -3.228 -3.228 66 3HB ALA 10 HB2 ALA 10 13.458 -2.948 -2.948 67 HA PRO 11 HA PRO 11 9.092 0.418 0.418 68 1HB PRO 11 HB2 PRO 11 11.480 0.856 0.856 69 2HB PRO 11 HB1 PRO 11 10.417 2.038 2.038 70 1HG PRO 11 HG2 PRO 11 12.974 1.101 1.101 71 2HG PRO 11 HG1 PRO 11 11.927 2.315 2.315 72 1HD PRO 11 HD2 PRO 11 12.506 -0.159 -0.159 73 2HD PRO 11 HD1 PRO 11 11.090 0.826 0.826 74 H ARG 12 HN ARG 12 11.773 -1.360 -1.360 75 HA ARG 12 HA ARG 12 10.084 -2.062 -2.062 76 1HB ARG 12 HB2 ARG 12 12.884 -2.658 -2.658 77 2HB ARG 12 HB1 ARG 12 12.144 -3.704 -3.704 78 1HG ARG 12 HG2 ARG 12 11.926 -0.732 -0.732 79 2HG ARG 12 HG1 ARG 12 13.441 -1.529 -1.529 80 1HD ARG 12 HD2 ARG 12 12.385 -2.905 -2.905 81 2HD ARG 12 HD1 ARG 12 10.775 -2.509 -2.509 82 HE ARG 12 HE ARG 12 11.932 -0.094 -0.094 83 1HH1 ARG 12 HH11 ARG 12 11.071 -3.149 -3.149 84 2HH1 ARG 12 HH12 ARG 12 10.767 -2.471 -2.471 85 1HH2 ARG 12 HH21 ARG 12 11.529 0.772 0.772 86 2HH2 ARG 12 HH22 ARG 12 11.026 -0.262 -0.262 87 H GLU 13 HN GLU 13 11.080 -3.640 -3.640 88 HA GLU 13 HA GLU 13 9.970 -6.205 -6.205 89 1HB GLU 13 HB2 GLU 13 11.080 -5.153 -5.153 90 2HB GLU 13 HB1 GLU 13 10.445 -6.788 -6.788 91 1HG GLU 13 HG2 GLU 13 12.085 -6.764 -6.764 92 2HG GLU 13 HG1 GLU 13 12.933 -5.578 -5.578 93 H ARG 14 HN ARG 14 8.277 -3.626 -3.626 94 HA ARG 14 HA ARG 14 6.429 -4.343 -4.343 95 1HB ARG 14 HB2 ARG 14 6.742 -2.036 -2.036 96 2HB ARG 14 HB1 ARG 14 5.158 -2.336 -2.336 97 1HG ARG 14 HG2 ARG 14 6.283 -2.386 -2.386 98 2HG ARG 14 HG1 ARG 14 7.762 -1.842 -1.842 99 1HD ARG 14 HD2 ARG 14 6.568 0.155 0.155 100 2HD ARG 14 HD1 ARG 14 5.104 -0.383 -0.383 101 HE ARG 14 HE ARG 14 7.351 -0.187 -0.187 102 1HH1 ARG 14 HH11 ARG 14 4.846 1.594 1.594 103 2HH1 ARG 14 HH12 ARG 14 4.804 2.870 2.870 104 1HH2 ARG 14 HH21 ARG 14 7.279 1.498 1.498 105 2HH2 ARG 14 HH22 ARG 14 6.174 2.815 2.815 106 H GLN 15 HN GLN 15 4.682 -5.662 -5.662 107 HA GLN 15 HA GLN 15 4.080 -6.474 -6.474 108 1HB GLN 15 HB2 GLN 15 3.554 -7.523 -7.523 109 2HB GLN 15 HB1 GLN 15 2.277 -7.809 -7.809 110 1HG GLN 15 HG2 GLN 15 3.585 -9.197 -9.197 111 2HG GLN 15 HG1 GLN 15 5.070 -8.327 -8.327 112 1HE2 GLN 15 HE22 GLN 15 5.443 -10.081 -10.081 113 2HE2 GLN 15 HE21 GLN 15 5.564 -8.507 -8.507 114 H ASN 16 HN ASN 16 2.530 -5.419 -5.419 115 HA ASN 16 HA ASN 16 0.883 -3.400 -3.400 116 1HB ASN 16 HB2 ASN 16 1.712 -3.912 -3.912 117 2HB ASN 16 HB1 ASN 16 0.081 -4.581 -4.581 118 1HD2 ASN 16 HD22 ASN 16 0.021 -0.867 -0.867 119 2HD2 ASN 16 HD21 ASN 16 0.927 -2.152 -2.152 120 H CYS 17 HN CYS 17 -0.922 -3.780 -3.780 121 HA CYS 17 HA CYS 17 -2.232 -6.388 -6.388 122 1HB CYS 17 HB2 CYS 17 -1.709 -4.861 -4.861 123 2HB CYS 17 HB1 CYS 17 -3.277 -4.180 -4.180 124 H GLY 18 HN GLY 18 -2.665 -3.095 -3.095 125 1HA GLY 18 HA2 GLY 18 -4.839 -3.829 -3.829 126 2HA GLY 18 HA1 GLY 18 -5.402 -2.869 -2.869 127 H PHE 19 HN PHE 19 -5.760 -1.661 -1.661 128 HA PHE 19 HA PHE 19 -3.510 -0.174 -0.174 129 1HB PHE 19 HB2 PHE 19 -5.314 1.328 1.328 130 2HB PHE 19 HB1 PHE 19 -5.325 -0.361 -0.361 131 HD1 PHE 19 HD1 PHE 19 -6.963 -1.959 -1.959 132 HD2 PHE 19 HD2 PHE 19 -7.185 2.303 2.303 133 HE1 PHE 19 HE1 PHE 19 -9.317 -2.171 -2.171 134 HE2 PHE 19 HE2 PHE 19 -9.541 2.087 2.087 135 HZ PHE 19 HZ PHE 19 -10.603 -0.148 -0.148 136 HA PRO 20 HA PRO 20 -3.355 3.138 3.138 137 1HB PRO 20 HB2 PRO 20 -2.711 5.266 5.266 138 2HB PRO 20 HB1 PRO 20 -1.573 4.081 4.081 139 1HG PRO 20 HG2 PRO 20 -2.394 4.432 4.432 140 2HG PRO 20 HG1 PRO 20 -1.241 3.261 3.261 141 1HD PRO 20 HD2 PRO 20 -4.033 2.853 2.853 142 2HD PRO 20 HD1 PRO 20 -2.762 1.653 1.653 143 H GLY 21 HN GLY 21 -5.419 3.763 3.763 144 1HA GLY 21 HA2 GLY 21 -6.668 6.132 6.132 145 2HA GLY 21 HA1 GLY 21 -7.417 4.921 4.921 146 H VAL 22 HN VAL 22 -6.728 3.032 3.032 147 HA VAL 22 HA VAL 22 -9.367 2.907 2.907 148 HB VAL 22 HB VAL 22 -8.342 1.525 1.525 149 1HG1 VAL 22 HG11 VAL 22 -8.929 0.623 0.623 150 2HG1 VAL 22 HG13 VAL 22 -7.238 0.845 0.845 151 3HG1 VAL 22 HG12 VAL 22 -7.668 -0.278 -0.278 152 1HG2 VAL 22 HG22 VAL 22 -5.819 2.505 2.505 153 2HG2 VAL 22 HG21 VAL 22 -6.238 2.580 2.580 154 3HG2 VAL 22 HG23 VAL 22 -5.849 1.030 1.030 155 H THR 23 HN THR 23 -9.301 2.910 2.910 156 HA THR 23 HA THR 23 -8.266 5.551 5.551 157 HB THR 23 HB THR 23 -10.531 5.911 5.911 158 HG1 THR 23 HG1 THR 23 -11.532 4.239 4.239 159 1HG2 THR 23 HG22 THR 23 -9.991 6.068 6.068 160 2HG2 THR 23 HG21 THR 23 -11.596 6.498 6.498 161 3HG2 THR 23 HG23 THR 23 -10.177 7.371 7.371 162 HA PRO 24 HA PRO 24 -6.910 3.889 3.889 163 1HB PRO 24 HB2 PRO 24 -8.862 5.420 5.420 164 2HB PRO 24 HB1 PRO 24 -7.102 5.584 5.584 165 1HG PRO 24 HG2 PRO 24 -9.111 7.168 7.168 166 2HG PRO 24 HG1 PRO 24 -7.365 7.437 7.437 167 1HD PRO 24 HD2 PRO 24 -8.687 6.755 6.755 168 2HD PRO 24 HD1 PRO 24 -6.966 6.431 6.431 169 H SER 25 HN SER 25 -10.451 4.164 4.164 170 HA SER 25 HA SER 25 -11.069 2.146 2.146 171 1HB SER 25 HB2 SER 25 -12.609 4.017 4.017 172 2HB SER 25 HB1 SER 25 -12.840 3.053 3.053 173 HG SER 25 HG SER 25 -13.975 1.645 1.645 174 H GLN 26 HN GLN 26 -10.786 2.201 2.201 175 HA GLN 26 HA GLN 26 -11.648 -0.477 -0.477 176 1HB GLN 26 HB2 GLN 26 -10.178 1.573 1.573 177 2HB GLN 26 HB1 GLN 26 -10.034 -0.106 -0.106 178 1HG GLN 26 HG2 GLN 26 -12.703 0.004 0.004 179 2HG GLN 26 HG1 GLN 26 -12.406 1.684 1.684 180 1HE2 GLN 26 HE21 GLN 26 -12.646 2.002 2.002 181 2HE2 GLN 26 HE22 GLN 26 -12.272 0.864 0.864 182 H CYS 27 HN CYS 27 -8.326 0.918 0.918 183 HA CYS 27 HA CYS 27 -6.968 -1.553 -1.553 184 1HB CYS 27 HB2 CYS 27 -6.006 0.821 0.821 185 2HB CYS 27 HB1 CYS 27 -6.000 0.805 0.805 186 H ALA 28 HN ALA 28 -8.464 0.086 0.086 187 HA ALA 28 HA ALA 28 -7.339 -1.867 -1.867 188 1HB ALA 28 HB1 ALA 28 -7.833 0.677 0.677 189 2HB ALA 28 HB3 ALA 28 -9.481 0.115 0.115 190 3HB ALA 28 HB2 ALA 28 -8.156 -0.489 -0.489 191 H ASN 29 HN ASN 29 -9.912 -1.840 -1.840 192 HA ASN 29 HA ASN 29 -11.941 -3.050 -3.050 193 1HB ASN 29 HB2 ASN 29 -12.309 -1.824 -1.824 194 2HB ASN 29 HB1 ASN 29 -11.667 -3.259 -3.259 195 1HD2 ASN 29 HD22 ASN 29 -15.476 -3.392 -3.392 196 2HD2 ASN 29 HD21 ASN 29 -14.504 -2.091 -2.091 197 H LYS 30 HN LYS 30 -9.726 -4.360 -4.360 198 HA LYS 30 HA LYS 30 -10.423 -7.084 -7.084 199 1HB LYS 30 HB2 LYS 30 -8.371 -5.707 -5.707 200 2HB LYS 30 HB1 LYS 30 -8.166 -7.420 -7.420 201 1HG LYS 30 HG2 LYS 30 -10.709 -7.560 -7.560 202 2HG LYS 30 HG1 LYS 30 -10.337 -6.066 -6.066 203 1HD LYS 30 HD2 LYS 30 -8.947 -7.113 -7.113 204 2HD LYS 30 HD1 LYS 30 -8.384 -8.290 -8.290 205 1HE LYS 30 HE2 LYS 30 -10.862 -9.173 -9.173 206 2HE LYS 30 HE1 LYS 30 -10.858 -8.349 -8.349 207 1HZ LYS 30 HZ1 LYS 30 -8.485 -9.800 -9.800 208 2HZ LYS 30 HZ3 LYS 30 -9.813 -10.816 -10.816 209 3HZ LYS 30 HZ2 LYS 30 -9.683 -9.961 -9.961 210 H GLY 31 HN GLY 31 -7.565 -5.018 -5.018 211 1HA GLY 31 HA2 GLY 31 -6.877 -5.381 -5.381 212 2HA GLY 31 HA1 GLY 31 -6.661 -7.053 -7.053 213 H CYS 32 HN CYS 32 -5.975 -4.707 -4.707 214 HA CYS 32 HA CYS 32 -3.157 -5.439 -5.439 215 1HB CYS 32 HB2 CYS 32 -4.552 -3.421 -3.421 216 2HB CYS 32 HB1 CYS 32 -3.000 -4.200 -4.200 217 H CYS 33 HN CYS 33 -1.449 -4.060 -4.060 218 HA CYS 33 HA CYS 33 -2.109 -1.916 -1.916 219 1HB CYS 33 HB2 CYS 33 0.557 -2.663 -2.663 220 2HB CYS 33 HB1 CYS 33 0.323 -1.601 -1.601 221 H PHE 34 HN PHE 34 -2.581 0.165 0.165 222 HA PHE 34 HA PHE 34 -1.988 1.031 1.031 223 1HB PHE 34 HB2 PHE 34 -4.280 1.327 1.327 224 2HB PHE 34 HB1 PHE 34 -3.542 2.509 2.509 225 HD1 PHE 34 HD2 PHE 34 -3.526 1.691 1.691 226 HD2 PHE 34 HD1 PHE 34 -3.700 4.735 4.735 227 HE1 PHE 34 HE2 PHE 34 -3.726 3.428 3.428 228 HE2 PHE 34 HE1 PHE 34 -3.902 6.471 6.471 229 HZ PHE 34 HZ PHE 34 -3.915 5.819 5.819 230 H ASP 35 HN ASP 35 -0.617 2.799 2.799 231 HA ASP 35 HA ASP 35 0.465 4.409 4.409 232 1HB ASP 35 HB2 ASP 35 1.803 2.287 2.287 233 2HB ASP 35 HB1 ASP 35 2.330 2.578 2.578 234 H ASP 36 HN ASP 36 -0.106 6.271 6.271 235 HA ASP 36 HA ASP 36 1.014 6.492 6.492 236 1HB ASP 36 HB2 ASP 36 -0.590 8.395 8.395 237 2HB ASP 36 HB1 ASP 36 -1.391 6.857 6.857 238 H THR 37 HN THR 37 3.169 6.883 6.883 239 HA THR 37 HA THR 37 3.354 9.695 9.695 240 HB THR 37 HB THR 37 5.359 8.972 8.972 241 HG1 THR 37 HG1 THR 37 5.283 6.504 6.504 242 1HG2 THR 37 HG21 THR 37 3.127 9.004 9.004 243 2HG2 THR 37 HG23 THR 37 2.882 7.327 7.327 244 3HG2 THR 37 HG22 THR 37 4.153 7.735 7.735 245 H VAL 38 HN VAL 38 4.888 7.086 7.086 246 HA VAL 38 HA VAL 38 6.600 9.151 9.151 247 HB VAL 38 HB VAL 38 6.951 6.139 6.139 248 1HG1 VAL 38 HG12 VAL 38 7.937 7.711 7.711 249 2HG1 VAL 38 HG11 VAL 38 9.063 8.200 8.200 250 3HG1 VAL 38 HG13 VAL 38 8.986 6.513 6.513 251 1HG2 VAL 38 HG23 VAL 38 7.973 8.317 8.317 252 2HG2 VAL 38 HG22 VAL 38 7.376 6.712 6.712 253 3HG2 VAL 38 HG21 VAL 38 8.970 6.894 6.894 254 H ARG 39 HN ARG 39 6.588 9.337 9.337 255 HA ARG 39 HA ARG 39 4.217 8.216 8.216 256 1HB ARG 39 HB2 ARG 39 6.203 10.373 10.373 257 2HB ARG 39 HB1 ARG 39 5.302 9.647 9.647 258 1HG ARG 39 HG2 ARG 39 3.851 10.562 10.562 259 2HG ARG 39 HG1 ARG 39 4.293 11.729 11.729 260 1HD ARG 39 HD2 ARG 39 3.201 9.594 9.594 261 2HD ARG 39 HD1 ARG 39 2.167 9.733 9.733 262 HE ARG 39 HE ARG 39 2.241 12.280 12.280 263 1HH1 ARG 39 HH21 ARG 39 2.041 9.431 9.431 264 2HH1 ARG 39 HH22 ARG 39 1.171 10.228 10.228 265 1HH2 ARG 39 HH11 ARG 39 1.100 13.300 13.300 266 2HH2 ARG 39 HH12 ARG 39 0.642 12.408 12.408 267 H GLY 40 HN GLY 40 4.709 7.576 7.576 268 1HA GLY 40 HA2 GLY 40 5.891 6.235 6.235 269 2HA GLY 40 HA1 GLY 40 7.241 6.197 6.197 270 H VAL 41 HN VAL 41 6.545 5.019 5.019 271 HA VAL 41 HA VAL 41 5.908 2.311 2.311 272 HB VAL 41 HB VAL 41 6.082 1.919 1.919 273 1HG1 VAL 41 HG13 VAL 41 8.212 3.531 3.531 274 2HG1 VAL 41 HG12 VAL 41 8.475 2.831 2.831 275 3HG1 VAL 41 HG11 VAL 41 8.137 1.782 1.782 276 1HG2 VAL 41 HG22 VAL 41 6.247 4.938 4.938 277 2HG2 VAL 41 HG21 VAL 41 5.184 3.910 3.910 278 3HG2 VAL 41 HG23 VAL 41 6.910 3.982 3.982 279 HA PRO 42 HA PRO 42 1.548 2.347 2.347 280 1HB PRO 42 HB2 PRO 42 1.279 -0.188 -0.188 281 2HB PRO 42 HB1 PRO 42 1.329 0.166 0.166 282 1HG PRO 42 HG2 PRO 42 3.261 -1.226 -1.226 283 2HG PRO 42 HG1 PRO 42 3.303 -0.880 -0.880 284 1HD PRO 42 HD2 PRO 42 4.711 0.472 0.472 285 2HD PRO 42 HD1 PRO 42 5.038 0.517 0.517 286 H TRP 43 HN TRP 43 -0.008 2.621 2.621 287 HA TRP 43 HA TRP 43 1.256 3.069 3.069 288 1HB TRP 43 HB2 TRP 43 -1.568 3.758 3.758 289 2HB TRP 43 HB1 TRP 43 -0.681 4.398 4.398 290 HD1 TRP 43 HD1 TRP 43 2.067 5.056 5.056 291 HE1 TRP 43 HE1 TRP 43 2.204 7.016 7.016 292 HE3 TRP 43 HE3 TRP 43 -2.866 5.500 5.500 293 HZ2 TRP 43 HZ2 TRP 43 0.454 8.567 8.567 294 HZ3 TRP 43 HZ3 TRP 43 -3.601 7.224 7.224 295 HH2 TRP 43 HH2 TRP 43 -1.948 8.758 8.758 296 H CYS 44 HN CYS 44 -1.430 1.227 1.227 297 HA CYS 44 HA CYS 44 -2.015 -0.053 -0.053 298 1HB CYS 44 HB2 CYS 44 -3.800 0.648 0.648 299 2HB CYS 44 HB1 CYS 44 -3.216 -0.643 -0.643 300 H PHE 45 HN PHE 45 -0.453 -1.585 -1.585 301 HA PHE 45 HA PHE 45 0.132 -3.629 -3.629 302 1HB PHE 45 HB2 PHE 45 2.434 -3.788 -3.788 303 2HB PHE 45 HB1 PHE 45 2.098 -2.156 -2.156 304 HD1 PHE 45 HD1 PHE 45 1.081 -0.535 -0.535 305 HD2 PHE 45 HD2 PHE 45 3.461 -4.023 -4.023 306 HE1 PHE 45 HE1 PHE 45 1.682 0.365 0.365 307 HE2 PHE 45 HE2 PHE 45 4.066 -3.124 -3.124 308 HZ PHE 45 HZ PHE 45 3.175 -0.928 -0.928 309 H TYR 46 HN TYR 46 1.290 -5.608 -5.608 310 HA TYR 46 HA TYR 46 -0.718 -6.499 -6.499 311 1HB TYR 46 HB2 TYR 46 1.632 -7.722 -7.722 312 2HB TYR 46 HB1 TYR 46 0.993 -8.519 -8.519 313 HD1 TYR 46 HD2 TYR 46 -1.480 -9.117 -9.117 314 HD2 TYR 46 HD1 TYR 46 0.505 -7.866 -7.866 315 HE1 TYR 46 HE2 TYR 46 -3.331 -10.064 -10.064 316 HE2 TYR 46 HE1 TYR 46 -1.345 -8.814 -8.814 317 HH TYR 46 HH TYR 46 -4.076 -10.499 -10.499 318 HA PRO 47 HA PRO 47 1.720 -5.872 -5.872 319 1HB PRO 47 HB2 PRO 47 0.770 -7.994 -7.994 320 2HB PRO 47 HB1 PRO 47 -0.108 -6.485 -6.485 321 1HG PRO 47 HG2 PRO 47 -0.760 -9.105 -9.105 322 2HG PRO 47 HG1 PRO 47 -1.642 -7.595 -7.595 323 1HD PRO 47 HD2 PRO 47 0.220 -9.011 -9.011 324 2HD PRO 47 HD1 PRO 47 -1.035 -7.814 -7.814 325 H ASN 48 HN ASN 48 3.235 -7.009 -7.009 326 HA ASN 48 HA ASN 48 4.494 -9.438 -9.438 327 1HB ASN 48 HB2 ASN 48 5.714 -6.727 -6.727 328 2HB ASN 48 HB1 ASN 48 6.715 -8.103 -8.103 329 1HD2 ASN 48 HD22 ASN 48 7.519 -8.606 -8.606 330 2HD2 ASN 48 HD21 ASN 48 8.069 -8.428 -8.428 331 H THR 49 HN THR 49 3.355 -10.337 -10.337 332 HA THR 49 HA THR 49 4.325 -9.433 -9.433 333 HB THR 49 HB THR 49 2.744 -11.061 -11.061 334 HG1 THR 49 HG1 THR 49 1.734 -11.812 -11.812 335 1HG2 THR 49 HG23 THR 49 1.747 -9.382 -9.382 336 2HG2 THR 49 HG22 THR 49 0.651 -10.258 -10.258 337 3HG2 THR 49 HG21 THR 49 1.702 -9.002 -9.002 338 H ILE 50 HN ILE 50 5.768 -10.590 -10.590 339 HA ILE 50 HA ILE 50 7.178 -12.807 -12.807 340 HB ILE 50 HB ILE 50 7.976 -11.229 -11.229 341 1HG1 ILE 50 HG12 ILE 50 9.134 -10.936 -10.936 342 2HG1 ILE 50 HG11 ILE 50 7.758 -9.964 -9.964 343 1HG2 ILE 50 HG23 ILE 50 9.414 -13.206 -13.206 344 2HG2 ILE 50 HG22 ILE 50 10.249 -12.158 -12.158 345 3HG2 ILE 50 HG21 ILE 50 9.095 -13.358 -13.358 346 1HD1 ILE 50 HD13 ILE 50 9.211 -9.406 -9.406 347 2HD1 ILE 50 HD12 ILE 50 10.561 -10.002 -10.002 348 3HD1 ILE 50 HD11 ILE 50 9.618 -8.622 -8.622 349 H ASP 51 HN ASP 51 7.520 -14.823 -14.823 350 HA ASP 51 HA ASP 51 5.937 -15.157 -15.157 351 1HB ASP 51 HB2 ASP 51 5.730 -16.717 -16.717 352 2HB ASP 51 HB1 ASP 51 5.313 -17.461 -17.461 353 H VAL 52 HN VAL 52 6.453 -17.447 -17.447 354 HA VAL 52 HA VAL 52 9.381 -17.840 -17.840 355 HB VAL 52 HB VAL 52 9.178 -18.856 -18.856 356 1HG1 VAL 52 HG11 VAL 52 9.745 -16.456 -16.456 357 2HG1 VAL 52 HG13 VAL 52 8.030 -16.058 -16.058 358 3HG1 VAL 52 HG12 VAL 52 8.863 -16.732 -16.732 359 1HG2 VAL 52 HG21 VAL 52 6.303 -18.298 -18.298 360 2HG2 VAL 52 HG23 VAL 52 7.030 -19.599 -19.599 361 3HG2 VAL 52 HG22 VAL 52 6.862 -17.992 -17.992 362 HA PRO 53 HA PRO 53 7.481 -21.376 -21.376 363 1HB PRO 53 HB2 PRO 53 10.312 -21.966 -21.966 364 2HB PRO 53 HB1 PRO 53 9.057 -21.585 -21.585 365 1HG PRO 53 HG2 PRO 53 11.078 -19.847 -19.847 366 2HG PRO 53 HG1 PRO 53 9.956 -19.542 -19.542 367 1HD PRO 53 HD2 PRO 53 9.813 -18.273 -18.273 368 2HD PRO 53 HD1 PRO 53 8.417 -18.511 -18.511 369 HA PRO 54 HA PRO 54 10.788 -24.329 -24.329 370 1HB PRO 54 HB2 PRO 54 10.914 -22.522 -22.522 371 2HB PRO 54 HB1 PRO 54 12.210 -23.427 -23.427 372 1HG PRO 54 HG2 PRO 54 11.530 -20.664 -20.664 373 2HG PRO 54 HG1 PRO 54 12.850 -21.564 -21.564 374 1HD PRO 54 HD2 PRO 54 10.687 -20.521 -20.521 375 2HD PRO 54 HD1 PRO 54 11.687 -21.856 -21.856 376 H GLU 55 HN GLU 55 8.626 -22.073 -22.073 377 HA GLU 55 HA GLU 55 7.280 -24.456 -24.456 378 1HB GLU 55 HB2 GLU 55 7.714 -21.649 -21.649 379 2HB GLU 55 HB1 GLU 55 6.303 -22.543 -22.543 380 1HG GLU 55 HG2 GLU 55 8.046 -24.457 -24.457 381 2HG GLU 55 HG1 GLU 55 9.215 -23.138 -23.138 382 H GLU 56 HN GLU 56 5.370 -24.968 -24.968 383 HA GLU 56 HA GLU 56 3.627 -22.745 -22.745 384 1HB GLU 56 HB2 GLU 56 4.811 -24.899 -24.899 385 2HB GLU 56 HB1 GLU 56 3.111 -24.523 -24.523 386 1HG GLU 56 HG2 GLU 56 4.028 -22.019 -22.019 387 2HG GLU 56 HG1 GLU 56 5.522 -22.812 -22.812 388 H GLU 57 HN GLU 57 1.872 -23.037 -23.037 389 HA GLU 57 HA GLU 57 0.618 -25.710 -25.710 390 1HB GLU 57 HB2 GLU 57 1.523 -24.139 -24.139 391 2HB GLU 57 HB1 GLU 57 0.118 -25.201 -25.201 392 1HG GLU 57 HG2 GLU 57 2.794 -26.117 -26.117 393 2HG GLU 57 HG1 GLU 57 2.330 -26.285 -26.285 394 H SER 58 HN SER 58 -1.691 -25.624 -25.624 395 HA SER 58 HA SER 58 -2.869 -22.928 -22.928 396 1HB SER 58 HB2 SER 58 -4.434 -23.574 -23.574 397 2HB SER 58 HB1 SER 58 -2.772 -23.246 -23.246 398 HG SER 58 HG SER 58 -3.665 -25.207 -25.207 399 H GLU 59 HN GLU 59 -5.094 -22.967 -22.967 400 HA GLU 59 HA GLU 59 -5.658 -25.201 -25.201 401 1HB GLU 59 HB2 GLU 59 -6.281 -22.605 -22.605 402 2HB GLU 59 HB1 GLU 59 -7.747 -23.168 -23.168 403 1HG GLU 59 HG2 GLU 59 -8.096 -24.839 -24.839 404 2HG GLU 59 HG1 GLU 59 -6.606 -24.330 -24.330 405 H PHE 60 HN PHE 60 -7.894 -26.283 -26.283 406 HA PHE 60 HA PHE 60 -9.036 -26.474 -26.474 407 1HB PHE 60 HB2 PHE 60 -7.056 -28.189 -28.189 408 2HB PHE 60 HB1 PHE 60 -8.321 -29.060 -29.060 409 HD1 PHE 60 HD2 PHE 60 -10.422 -29.730 -29.730 410 HD2 PHE 60 HD1 PHE 60 -7.045 -28.064 -28.064 411 HE1 PHE 60 HE2 PHE 60 -11.329 -30.563 -30.563 412 HE2 PHE 60 HE1 PHE 60 -7.954 -28.897 -28.897 413 HZ PHE 60 HZ PHE 60 -10.094 -30.146 -30.146 Start of MODEL 14 1 1H GLU 1 HT3 GLU 1 11.557 -5.572 -5.572 2 2H GLU 1 HT2 GLU 1 13.110 -5.313 -5.313 3 3H GLU 1 HT1 GLU 1 12.893 -5.476 -5.476 4 HA GLU 1 HA GLU 1 12.776 -7.681 -7.681 5 1HB GLU 1 HB2 GLU 1 14.862 -6.890 -6.890 6 2HB GLU 1 HB1 GLU 1 13.997 -7.308 -7.308 7 1HG GLU 1 HG2 GLU 1 15.159 -9.287 -9.287 8 2HG GLU 1 HG1 GLU 1 13.582 -9.598 -9.598 9 H ALA 2 HN ALA 2 10.226 -6.899 -6.899 10 HA ALA 2 HA ALA 2 9.573 -8.704 -8.704 11 1HB ALA 2 HB3 ALA 2 9.100 -6.101 -6.101 12 2HB ALA 2 HB2 ALA 2 7.711 -6.530 -6.530 13 3HB ALA 2 HB1 ALA 2 7.906 -7.253 -7.253 14 H GLN 3 HN GLN 3 6.859 -8.983 -8.983 15 HA GLN 3 HA GLN 3 6.741 -10.245 -10.245 16 1HB GLN 3 HB2 GLN 3 5.226 -10.938 -10.938 17 2HB GLN 3 HB1 GLN 3 5.085 -11.778 -11.778 18 1HG GLN 3 HG2 GLN 3 7.117 -12.823 -12.823 19 2HG GLN 3 HG1 GLN 3 7.833 -11.468 -11.468 20 1HE2 GLN 3 HE22 GLN 3 7.540 -13.648 -13.648 21 2HE2 GLN 3 HE21 GLN 3 8.618 -13.020 -13.020 22 H THR 4 HN THR 4 5.784 -8.603 -8.603 23 HA THR 4 HA THR 4 2.979 -8.060 -8.060 24 HB THR 4 HB THR 4 3.398 -5.553 -5.553 25 HG1 THR 4 HG1 THR 4 6.010 -6.456 -6.456 26 1HG2 THR 4 HG22 THR 4 2.867 -6.752 -6.752 27 2HG2 THR 4 HG21 THR 4 4.600 -6.762 -6.762 28 3HG2 THR 4 HG23 THR 4 3.738 -5.230 -5.230 29 H GLU 5 HN GLU 5 1.899 -7.033 -7.033 30 HA GLU 5 HA GLU 5 2.884 -8.060 -8.060 31 1HB GLU 5 HB2 GLU 5 0.712 -6.022 -6.022 32 2HB GLU 5 HB1 GLU 5 0.982 -6.796 -6.796 33 1HG GLU 5 HG2 GLU 5 0.265 -8.876 -8.876 34 2HG GLU 5 HG1 GLU 5 0.665 -8.522 -8.522 35 H THR 6 HN THR 6 3.815 -6.933 -6.933 36 HA THR 6 HA THR 6 4.646 -4.142 -4.142 37 HB THR 6 HB THR 6 6.466 -6.079 -6.079 38 HG1 THR 6 HG1 THR 6 5.933 -6.949 -6.949 39 1HG2 THR 6 HG23 THR 6 6.607 -3.411 -3.411 40 2HG2 THR 6 HG22 THR 6 7.384 -3.911 -3.911 41 3HG2 THR 6 HG21 THR 6 8.041 -4.436 -4.436 42 H CYS 7 HN CYS 7 4.037 -2.810 -2.810 43 HA CYS 7 HA CYS 7 3.485 -4.062 -4.062 44 1HB CYS 7 HB2 CYS 7 2.405 -1.501 -1.501 45 2HB CYS 7 HB1 CYS 7 2.010 -2.120 -2.120 46 H THR 8 HN THR 8 6.026 -2.695 -2.695 47 HA THR 8 HA THR 8 6.486 -0.571 -0.571 48 HB THR 8 HB THR 8 7.149 -0.080 -0.080 49 HG1 THR 8 HG1 THR 8 8.551 0.807 0.807 50 1HG2 THR 8 HG21 THR 8 7.838 -2.816 -2.816 51 2HG2 THR 8 HG23 THR 8 9.352 -1.934 -1.934 52 3HG2 THR 8 HG22 THR 8 8.010 -1.641 -1.641 53 H VAL 9 HN VAL 9 7.022 -1.453 -1.453 54 HA VAL 9 HA VAL 9 9.218 -3.454 -3.454 55 HB VAL 9 HB VAL 9 6.977 -3.211 -3.211 56 1HG1 VAL 9 HG12 VAL 9 9.417 -4.928 -4.928 57 2HG1 VAL 9 HG11 VAL 9 7.972 -5.635 -5.635 58 3HG1 VAL 9 HG13 VAL 9 8.723 -4.218 -4.218 59 1HG2 VAL 9 HG23 VAL 9 7.404 -5.134 -5.134 60 2HG2 VAL 9 HG22 VAL 9 6.048 -4.029 -4.029 61 3HG2 VAL 9 HG21 VAL 9 6.248 -5.411 -5.411 62 H ALA 10 HN ALA 10 10.543 -3.363 -3.363 63 HA ALA 10 HA ALA 10 11.357 -0.674 -0.674 64 1HB ALA 10 HB1 ALA 10 12.014 -3.279 -3.279 65 2HB ALA 10 HB3 ALA 10 12.807 -1.745 -1.745 66 3HB ALA 10 HB2 ALA 10 12.973 -2.473 -2.473 67 HA PRO 11 HA PRO 11 8.085 0.620 0.620 68 1HB PRO 11 HB2 PRO 11 10.221 2.076 2.076 69 2HB PRO 11 HB1 PRO 11 8.766 2.698 2.698 70 1HG PRO 11 HG2 PRO 11 11.432 2.699 2.699 71 2HG PRO 11 HG1 PRO 11 9.967 3.275 3.275 72 1HD PRO 11 HD2 PRO 11 11.492 1.061 1.061 73 2HD PRO 11 HD1 PRO 11 9.845 1.423 1.423 74 H ARG 12 HN ARG 12 11.204 -0.739 -0.739 75 HA ARG 12 HA ARG 12 10.290 -1.175 -1.175 76 1HB ARG 12 HB2 ARG 12 12.778 -2.003 -2.003 77 2HB ARG 12 HB1 ARG 12 12.483 -2.423 -2.423 78 1HG ARG 12 HG2 ARG 12 12.692 -0.231 -0.231 79 2HG ARG 12 HG1 ARG 12 12.196 0.441 0.441 80 1HD ARG 12 HD2 ARG 12 14.324 -0.106 -0.106 81 2HD ARG 12 HD1 ARG 12 14.813 -1.022 -1.022 82 HE ARG 12 HE ARG 12 14.362 1.435 1.435 83 1HH1 ARG 12 HH11 ARG 12 16.119 0.341 0.341 84 2HH1 ARG 12 HH12 ARG 12 17.266 1.638 1.638 85 1HH2 ARG 12 HH21 ARG 12 15.874 3.128 3.128 86 2HH2 ARG 12 HH22 ARG 12 17.127 3.208 3.208 87 H GLU 13 HN GLU 13 10.860 -3.159 -3.159 88 HA GLU 13 HA GLU 13 9.872 -5.534 -5.534 89 1HB GLU 13 HB2 GLU 13 11.072 -5.059 -5.059 90 2HB GLU 13 HB1 GLU 13 10.348 -6.605 -6.605 91 1HG GLU 13 HG2 GLU 13 12.503 -5.257 -5.257 92 2HG GLU 13 HG1 GLU 13 12.855 -6.440 -6.440 93 H ARG 14 HN ARG 14 7.902 -3.532 -3.532 94 HA ARG 14 HA ARG 14 6.192 -4.481 -4.481 95 1HB ARG 14 HB2 ARG 14 6.153 -1.964 -1.964 96 2HB ARG 14 HB1 ARG 14 4.807 -2.433 -2.433 97 1HG ARG 14 HG2 ARG 14 6.773 -2.711 -2.711 98 2HG ARG 14 HG1 ARG 14 7.548 -1.517 -1.517 99 1HD ARG 14 HD2 ARG 14 5.252 -0.269 -0.269 100 2HD ARG 14 HD1 ARG 14 5.012 -1.267 -1.267 101 HE ARG 14 HE ARG 14 7.438 -0.265 -0.265 102 1HH1 ARG 14 HH11 ARG 14 4.575 1.255 1.255 103 2HH1 ARG 14 HH12 ARG 14 4.948 2.813 2.813 104 1HH2 ARG 14 HH21 ARG 14 7.910 1.789 1.789 105 2HH2 ARG 14 HH22 ARG 14 6.828 3.114 3.114 106 H GLN 15 HN GLN 15 4.174 -5.406 -5.406 107 HA GLN 15 HA GLN 15 3.641 -5.946 -5.946 108 1HB GLN 15 HB2 GLN 15 3.309 -7.545 -7.545 109 2HB GLN 15 HB1 GLN 15 2.158 -7.805 -7.805 110 1HG GLN 15 HG2 GLN 15 3.814 -8.550 -8.550 111 2HG GLN 15 HG1 GLN 15 5.107 -7.750 -7.750 112 1HE2 GLN 15 HE22 GLN 15 5.790 -10.600 -10.600 113 2HE2 GLN 15 HE21 GLN 15 6.309 -9.095 -9.095 114 H ASN 16 HN ASN 16 1.813 -5.007 -5.007 115 HA ASN 16 HA ASN 16 0.180 -3.317 -3.317 116 1HB ASN 16 HB2 ASN 16 0.675 -3.466 -3.466 117 2HB ASN 16 HB1 ASN 16 -0.887 -4.281 -4.281 118 1HD2 ASN 16 HD22 ASN 16 -1.453 -0.573 -0.573 119 2HD2 ASN 16 HD21 ASN 16 -0.605 -1.712 -1.712 120 H CYS 17 HN CYS 17 -1.361 -3.975 -3.975 121 HA CYS 17 HA CYS 17 -2.466 -6.632 -6.632 122 1HB CYS 17 HB2 CYS 17 -2.139 -4.889 -4.889 123 2HB CYS 17 HB1 CYS 17 -3.745 -4.362 -4.362 124 H GLY 18 HN GLY 18 -3.418 -3.442 -3.442 125 1HA GLY 18 HA2 GLY 18 -5.558 -4.680 -4.680 126 2HA GLY 18 HA1 GLY 18 -6.060 -3.453 -3.453 127 H PHE 19 HN PHE 19 -6.678 -2.696 -2.696 128 HA PHE 19 HA PHE 19 -4.624 -1.509 -1.509 129 1HB PHE 19 HB2 PHE 19 -6.568 -0.063 -0.063 130 2HB PHE 19 HB1 PHE 19 -6.703 -1.802 -1.802 131 HD1 PHE 19 HD2 PHE 19 -8.132 -3.136 -3.136 132 HD2 PHE 19 HD1 PHE 19 -8.154 1.158 1.158 133 HE1 PHE 19 HE2 PHE 19 -10.296 -3.122 -3.122 134 HE2 PHE 19 HE1 PHE 19 -10.325 1.172 1.172 135 HZ PHE 19 HZ PHE 19 -11.393 -0.968 -0.968 136 HA PRO 20 HA PRO 20 -3.746 2.230 2.230 137 1HB PRO 20 HB2 PRO 20 -3.519 4.053 4.053 138 2HB PRO 20 HB1 PRO 20 -2.257 2.945 2.945 139 1HG PRO 20 HG2 PRO 20 -3.704 2.897 2.897 140 2HG PRO 20 HG1 PRO 20 -2.411 1.817 1.817 141 1HD PRO 20 HD2 PRO 20 -5.294 1.346 1.346 142 2HD PRO 20 HD1 PRO 20 -3.974 0.182 0.182 143 H GLY 21 HN GLY 21 -6.404 2.543 2.543 144 1HA GLY 21 HA2 GLY 21 -7.386 5.051 5.051 145 2HA GLY 21 HA1 GLY 21 -8.340 3.815 3.815 146 H VAL 22 HN VAL 22 -7.080 2.202 2.202 147 HA VAL 22 HA VAL 22 -9.553 2.073 2.073 148 HB VAL 22 HB VAL 22 -8.222 0.961 0.961 149 1HG1 VAL 22 HG12 VAL 22 -9.077 -0.262 -0.262 150 2HG1 VAL 22 HG11 VAL 22 -7.527 0.017 0.017 151 3HG1 VAL 22 HG13 VAL 22 -7.607 -0.972 -0.972 152 1HG2 VAL 22 HG21 VAL 22 -6.006 2.121 2.121 153 2HG2 VAL 22 HG23 VAL 22 -6.103 1.849 1.849 154 3HG2 VAL 22 HG22 VAL 22 -5.751 0.504 0.504 155 H THR 23 HN THR 23 -9.689 2.614 2.614 156 HA THR 23 HA THR 23 -8.388 5.226 5.226 157 HB THR 23 HB THR 23 -10.563 5.893 5.893 158 HG1 THR 23 HG1 THR 23 -11.290 3.455 3.455 159 1HG2 THR 23 HG22 THR 23 -10.250 5.417 5.417 160 2HG2 THR 23 HG21 THR 23 -11.776 6.057 6.057 161 3HG2 THR 23 HG23 THR 23 -10.277 6.941 6.941 162 HA PRO 24 HA PRO 24 -6.961 4.003 4.003 163 1HB PRO 24 HB2 PRO 24 -8.885 5.753 5.753 164 2HB PRO 24 HB1 PRO 24 -7.119 5.839 5.839 165 1HG PRO 24 HG2 PRO 24 -9.017 7.367 7.367 166 2HG PRO 24 HG1 PRO 24 -7.256 7.521 7.521 167 1HD PRO 24 HD2 PRO 24 -8.684 6.652 6.652 168 2HD PRO 24 HD1 PRO 24 -6.972 6.282 6.282 169 H SER 25 HN SER 25 -10.520 4.324 4.324 170 HA SER 25 HA SER 25 -11.133 2.566 2.566 171 1HB SER 25 HB2 SER 25 -13.412 2.580 2.580 172 2HB SER 25 HB1 SER 25 -12.753 4.209 4.209 173 HG SER 25 HG SER 25 -13.626 2.920 2.920 174 H GLN 26 HN GLN 26 -10.993 2.098 2.098 175 HA GLN 26 HA GLN 26 -11.771 -0.623 -0.623 176 1HB GLN 26 HB2 GLN 26 -10.263 1.136 1.136 177 2HB GLN 26 HB1 GLN 26 -10.316 -0.604 -0.604 178 1HG GLN 26 HG2 GLN 26 -12.918 -0.212 -0.212 179 2HG GLN 26 HG1 GLN 26 -12.523 1.402 1.402 180 1HE2 GLN 26 HE21 GLN 26 -11.841 1.614 1.614 181 2HE2 GLN 26 HE22 GLN 26 -12.037 0.345 0.345 182 H CYS 27 HN CYS 27 -8.486 0.858 0.858 183 HA CYS 27 HA CYS 27 -7.065 -1.590 -1.590 184 1HB CYS 27 HB2 CYS 27 -6.210 0.815 0.815 185 2HB CYS 27 HB1 CYS 27 -6.105 0.948 0.948 186 H ALA 28 HN ALA 28 -8.767 0.225 0.225 187 HA ALA 28 HA ALA 28 -7.493 -1.363 -1.363 188 1HB ALA 28 HB1 ALA 28 -9.335 1.022 1.022 189 2HB ALA 28 HB3 ALA 28 -9.049 0.108 0.108 190 3HB ALA 28 HB2 ALA 28 -7.705 0.905 0.905 191 H ASN 29 HN ASN 29 -10.122 -1.678 -1.678 192 HA ASN 29 HA ASN 29 -11.806 -3.044 -3.044 193 1HB ASN 29 HB2 ASN 29 -12.659 -1.388 -1.388 194 2HB ASN 29 HB1 ASN 29 -12.491 -2.773 -2.773 195 1HD2 ASN 29 HD22 ASN 29 -15.917 -3.163 -3.163 196 2HD2 ASN 29 HD21 ASN 29 -15.019 -2.296 -2.296 197 H LYS 30 HN LYS 30 -9.585 -3.692 -3.692 198 HA LYS 30 HA LYS 30 -10.492 -6.476 -6.476 199 1HB LYS 30 HB2 LYS 30 -8.636 -4.689 -4.689 200 2HB LYS 30 HB1 LYS 30 -8.317 -6.423 -6.423 201 1HG LYS 30 HG2 LYS 30 -11.101 -5.393 -5.393 202 2HG LYS 30 HG1 LYS 30 -9.915 -5.395 -5.395 203 1HD LYS 30 HD2 LYS 30 -9.497 -7.860 -7.860 204 2HD LYS 30 HD1 LYS 30 -10.987 -7.756 -7.756 205 1HE LYS 30 HE2 LYS 30 -11.149 -6.690 -6.690 206 2HE LYS 30 HE1 LYS 30 -10.919 -8.434 -8.434 207 1HZ LYS 30 HZ1 LYS 30 -12.781 -8.492 -8.492 208 2HZ LYS 30 HZ3 LYS 30 -13.027 -6.832 -6.832 209 3HZ LYS 30 HZ2 LYS 30 -13.224 -7.915 -7.915 210 H GLY 31 HN GLY 31 -8.238 -4.615 -4.615 211 1HA GLY 31 HA2 GLY 31 -7.051 -5.552 -5.552 212 2HA GLY 31 HA1 GLY 31 -7.073 -7.116 -7.116 213 H CYS 32 HN CYS 32 -6.276 -4.479 -4.479 214 HA CYS 32 HA CYS 32 -3.490 -5.432 -5.432 215 1HB CYS 32 HB2 CYS 32 -4.904 -3.463 -3.463 216 2HB CYS 32 HB1 CYS 32 -3.348 -4.233 -4.233 217 H CYS 33 HN CYS 33 -1.702 -3.966 -3.966 218 HA CYS 33 HA CYS 33 -2.281 -1.788 -1.788 219 1HB CYS 33 HB2 CYS 33 0.360 -2.602 -2.602 220 2HB CYS 33 HB1 CYS 33 0.137 -1.562 -1.562 221 H PHE 34 HN PHE 34 -2.579 0.324 0.324 222 HA PHE 34 HA PHE 34 -1.992 1.065 1.065 223 1HB PHE 34 HB2 PHE 34 -4.280 1.481 1.481 224 2HB PHE 34 HB1 PHE 34 -3.522 2.636 2.636 225 HD1 PHE 34 HD1 PHE 34 -2.572 4.735 4.735 226 HD2 PHE 34 HD2 PHE 34 -4.445 1.938 1.938 227 HE1 PHE 34 HE1 PHE 34 -2.658 6.475 6.475 228 HE2 PHE 34 HE2 PHE 34 -4.533 3.677 3.677 229 HZ PHE 34 HZ PHE 34 -3.639 5.945 5.945 230 H ASP 35 HN ASP 35 -0.230 2.369 2.369 231 HA ASP 35 HA ASP 35 0.796 4.083 4.083 232 1HB ASP 35 HB2 ASP 35 2.014 1.799 1.799 233 2HB ASP 35 HB1 ASP 35 2.684 2.441 2.441 234 H ASP 36 HN ASP 36 0.852 6.115 6.115 235 HA ASP 36 HA ASP 36 1.474 6.390 6.390 236 1HB ASP 36 HB2 ASP 36 0.325 8.611 8.611 237 2HB ASP 36 HB1 ASP 36 -0.742 7.242 7.242 238 H THR 37 HN THR 37 3.802 6.160 6.160 239 HA THR 37 HA THR 37 4.761 8.658 8.658 240 HB THR 37 HB THR 37 6.951 7.179 7.179 241 HG1 THR 37 HG1 THR 37 6.595 5.262 5.262 242 1HG2 THR 37 HG21 THR 37 5.504 7.963 7.963 243 2HG2 THR 37 HG23 THR 37 4.646 6.428 6.428 244 3HG2 THR 37 HG22 THR 37 6.365 6.448 6.448 245 H VAL 38 HN VAL 38 5.924 6.350 6.350 246 HA VAL 38 HA VAL 38 7.096 8.674 8.674 247 HB VAL 38 HB VAL 38 7.594 5.714 5.714 248 1HG1 VAL 38 HG13 VAL 38 9.049 8.208 8.208 249 2HG1 VAL 38 HG12 VAL 38 9.596 6.553 6.553 250 3HG1 VAL 38 HG11 VAL 38 8.099 7.119 7.119 251 1HG2 VAL 38 HG23 VAL 38 9.108 7.788 7.788 252 2HG2 VAL 38 HG22 VAL 38 8.355 6.314 6.314 253 3HG2 VAL 38 HG21 VAL 38 9.768 6.214 6.214 254 H ARG 39 HN ARG 39 6.766 8.852 8.852 255 HA ARG 39 HA ARG 39 4.103 7.893 7.893 256 1HB ARG 39 HB2 ARG 39 6.021 9.808 9.808 257 2HB ARG 39 HB1 ARG 39 4.377 9.458 9.458 258 1HG ARG 39 HG2 ARG 39 4.091 11.412 11.412 259 2HG ARG 39 HG1 ARG 39 3.701 10.146 10.146 260 1HD ARG 39 HD2 ARG 39 5.442 10.706 10.706 261 2HD ARG 39 HD1 ARG 39 6.563 10.711 10.711 262 HE ARG 39 HE ARG 39 5.070 13.020 13.020 263 1HH1 ARG 39 HH21 ARG 39 7.122 11.621 11.621 264 2HH1 ARG 39 HH22 ARG 39 7.659 13.150 13.150 265 1HH2 ARG 39 HH11 ARG 39 5.787 15.014 15.014 266 2HH2 ARG 39 HH12 ARG 39 6.906 15.061 15.061 267 H GLY 40 HN GLY 40 3.948 7.219 7.219 268 1HA GLY 40 HA2 GLY 40 4.711 5.922 5.922 269 2HA GLY 40 HA1 GLY 40 6.310 5.882 5.882 270 H VAL 41 HN VAL 41 5.845 4.808 4.808 271 HA VAL 41 HA VAL 41 5.398 2.034 2.034 272 HB VAL 41 HB VAL 41 5.759 1.714 1.714 273 1HG1 VAL 41 HG11 VAL 41 7.606 2.109 2.109 274 2HG1 VAL 41 HG13 VAL 41 7.816 3.666 3.666 275 3HG1 VAL 41 HG12 VAL 41 8.056 2.173 2.173 276 1HG2 VAL 41 HG21 VAL 41 4.662 3.985 3.985 277 2HG2 VAL 41 HG23 VAL 41 6.106 3.567 3.567 278 3HG2 VAL 41 HG22 VAL 41 6.218 4.701 4.701 279 HA PRO 42 HA PRO 42 1.125 1.753 1.753 280 1HB PRO 42 HB2 PRO 42 1.133 -0.855 -0.855 281 2HB PRO 42 HB1 PRO 42 1.071 -0.400 -0.400 282 1HG PRO 42 HG2 PRO 42 3.184 -1.722 -1.722 283 2HG PRO 42 HG1 PRO 42 3.124 -1.253 -1.253 284 1HD PRO 42 HD2 PRO 42 4.463 0.097 0.097 285 2HD PRO 42 HD1 PRO 42 4.783 0.227 0.227 286 H TRP 43 HN TRP 43 0.068 2.537 2.537 287 HA TRP 43 HA TRP 43 1.398 2.501 2.501 288 1HB TRP 43 HB2 TRP 43 -1.427 3.381 3.381 289 2HB TRP 43 HB1 TRP 43 -0.500 3.816 3.816 290 HD1 TRP 43 HD1 TRP 43 2.276 4.432 4.432 291 HE1 TRP 43 HE1 TRP 43 2.489 6.591 6.591 292 HE3 TRP 43 HE3 TRP 43 -2.663 5.439 5.439 293 HZ2 TRP 43 HZ2 TRP 43 0.797 8.491 8.491 294 HZ3 TRP 43 HZ3 TRP 43 -3.331 7.430 7.430 295 HH2 TRP 43 HH2 TRP 43 -1.609 8.956 8.956 296 H CYS 44 HN CYS 44 -1.684 1.110 1.110 297 HA CYS 44 HA CYS 44 -2.111 -0.429 -0.429 298 1HB CYS 44 HB2 CYS 44 -3.848 0.395 0.395 299 2HB CYS 44 HB1 CYS 44 -3.373 -1.057 -1.057 300 H PHE 45 HN PHE 45 -0.716 -2.108 -2.108 301 HA PHE 45 HA PHE 45 -0.152 -4.029 -4.029 302 1HB PHE 45 HB2 PHE 45 2.239 -4.189 -4.189 303 2HB PHE 45 HB1 PHE 45 1.866 -2.806 -2.806 304 HD1 PHE 45 HD2 PHE 45 1.676 -3.773 -3.773 305 HD2 PHE 45 HD1 PHE 45 2.533 -0.709 -0.709 306 HE1 PHE 45 HE2 PHE 45 2.347 -2.247 -2.247 307 HE2 PHE 45 HE1 PHE 45 3.206 0.820 0.820 308 HZ PHE 45 HZ PHE 45 3.111 0.051 0.051 309 H TYR 46 HN TYR 46 1.058 -6.043 -6.043 310 HA TYR 46 HA TYR 46 -0.721 -7.015 -7.015 311 1HB TYR 46 HB2 TYR 46 1.846 -8.240 -8.240 312 2HB TYR 46 HB1 TYR 46 0.586 -9.076 -9.076 313 HD1 TYR 46 HD2 TYR 46 -1.903 -8.509 -8.509 314 HD2 TYR 46 HD1 TYR 46 1.830 -8.669 -8.669 315 HE1 TYR 46 HE2 TYR 46 -3.119 -8.965 -8.965 316 HE2 TYR 46 HE1 TYR 46 0.615 -9.124 -9.124 317 HH TYR 46 HH TYR 46 -1.505 -8.947 -8.947 318 HA PRO 47 HA PRO 47 1.837 -6.155 -6.155 319 1HB PRO 47 HB2 PRO 47 0.745 -8.045 -8.045 320 2HB PRO 47 HB1 PRO 47 -0.011 -6.496 -6.496 321 1HG PRO 47 HG2 PRO 47 -0.892 -9.130 -9.130 322 2HG PRO 47 HG1 PRO 47 -1.666 -7.579 -7.579 323 1HD PRO 47 HD2 PRO 47 0.012 -9.275 -9.275 324 2HD PRO 47 HD1 PRO 47 -1.144 -8.000 -8.000 325 H ASN 48 HN ASN 48 3.188 -7.397 -7.397 326 HA ASN 48 HA ASN 48 4.348 -9.865 -9.865 327 1HB ASN 48 HB2 ASN 48 5.732 -7.327 -7.327 328 2HB ASN 48 HB1 ASN 48 6.571 -8.871 -8.871 329 1HD2 ASN 48 HD22 ASN 48 7.392 -8.875 -8.875 330 2HD2 ASN 48 HD21 ASN 48 7.807 -9.304 -9.304 331 H THR 49 HN THR 49 3.275 -11.153 -11.153 332 HA THR 49 HA THR 49 3.635 -10.473 -10.473 333 HB THR 49 HB THR 49 2.418 -12.715 -12.715 334 HG1 THR 49 HG1 THR 49 1.417 -12.611 -12.611 335 1HG2 THR 49 HG23 THR 49 1.308 -10.287 -10.287 336 2HG2 THR 49 HG22 THR 49 0.261 -11.668 -11.668 337 3HG2 THR 49 HG21 THR 49 1.060 -10.837 -10.837 338 H ILE 50 HN ILE 50 5.880 -10.693 -10.693 339 HA ILE 50 HA ILE 50 6.958 -13.432 -13.432 340 HB ILE 50 HB ILE 50 8.509 -10.831 -10.831 341 1HG1 ILE 50 HG12 ILE 50 8.168 -12.531 -12.531 342 2HG1 ILE 50 HG11 ILE 50 6.998 -11.270 -11.270 343 1HG2 ILE 50 HG22 ILE 50 9.316 -13.672 -13.672 344 2HG2 ILE 50 HG21 ILE 50 10.371 -12.265 -12.265 345 3HG2 ILE 50 HG23 ILE 50 9.785 -12.775 -12.775 346 1HD1 ILE 50 HD11 ILE 50 8.987 -9.680 -9.680 347 2HD1 ILE 50 HD13 ILE 50 9.958 -10.951 -10.951 348 3HD1 ILE 50 HD12 ILE 50 8.615 -10.233 -10.233 349 H ASP 51 HN ASP 51 8.083 -14.379 -14.379 350 HA ASP 51 HA ASP 51 7.669 -12.966 -12.966 351 1HB ASP 51 HB2 ASP 51 7.715 -15.886 -15.886 352 2HB ASP 51 HB1 ASP 51 7.965 -15.372 -15.372 353 H VAL 52 HN VAL 52 9.403 -13.132 -13.132 354 HA VAL 52 HA VAL 52 12.008 -14.023 -14.023 355 HB VAL 52 HB VAL 52 13.048 -11.924 -11.924 356 1HG1 VAL 52 HG12 VAL 52 12.162 -12.345 -12.345 357 2HG1 VAL 52 HG11 VAL 52 10.945 -11.145 -11.145 358 3HG1 VAL 52 HG13 VAL 52 12.655 -10.718 -10.718 359 1HG2 VAL 52 HG23 VAL 52 10.159 -11.343 -11.343 360 2HG2 VAL 52 HG22 VAL 52 11.583 -10.977 -10.977 361 3HG2 VAL 52 HG21 VAL 52 11.217 -10.007 -10.007 362 HA PRO 53 HA PRO 53 11.640 -15.412 -15.412 363 1HB PRO 53 HB2 PRO 53 12.336 -18.028 -18.028 364 2HB PRO 53 HB1 PRO 53 10.678 -17.406 -17.406 365 1HG PRO 53 HG2 PRO 53 12.174 -18.335 -18.335 366 2HG PRO 53 HG1 PRO 53 10.521 -17.700 -17.700 367 1HD PRO 53 HD2 PRO 53 13.038 -16.327 -16.327 368 2HD PRO 53 HD1 PRO 53 11.365 -15.941 -15.941 369 HA PRO 54 HA PRO 54 16.048 -15.751 -15.751 370 1HB PRO 54 HB2 PRO 54 15.945 -17.132 -17.132 371 2HB PRO 54 HB1 PRO 54 15.590 -15.408 -15.408 372 1HG PRO 54 HG2 PRO 54 13.790 -17.509 -17.509 373 2HG PRO 54 HG1 PRO 54 13.436 -15.786 -15.786 374 1HD PRO 54 HD2 PRO 54 12.995 -18.021 -18.021 375 2HD PRO 54 HD1 PRO 54 12.194 -16.437 -16.437 376 H GLU 55 HN GLU 55 14.289 -18.557 -18.557 377 HA GLU 55 HA GLU 55 16.728 -20.239 -20.239 378 1HB GLU 55 HB2 GLU 55 13.794 -20.857 -20.857 379 2HB GLU 55 HB1 GLU 55 14.910 -22.102 -22.102 380 1HG GLU 55 HG2 GLU 55 16.319 -21.551 -21.551 381 2HG GLU 55 HG1 GLU 55 14.911 -20.661 -20.661 382 H GLU 56 HN GLU 56 17.732 -20.376 -20.376 383 HA GLU 56 HA GLU 56 16.195 -19.918 -19.918 384 1HB GLU 56 HB2 GLU 56 18.652 -19.141 -19.141 385 2HB GLU 56 HB1 GLU 56 19.074 -20.751 -20.751 386 1HG GLU 56 HG2 GLU 56 19.176 -19.501 -19.501 387 2HG GLU 56 HG1 GLU 56 17.524 -20.117 -20.117 388 H GLU 57 HN GLU 57 15.029 -21.657 -21.657 389 HA GLU 57 HA GLU 57 16.473 -24.214 -24.214 390 1HB GLU 57 HB2 GLU 57 14.771 -23.947 -23.947 391 2HB GLU 57 HB1 GLU 57 13.613 -24.376 -24.376 392 1HG GLU 57 HG2 GLU 57 15.104 -26.330 -26.330 393 2HG GLU 57 HG1 GLU 57 16.057 -25.952 -25.952 394 H SER 58 HN SER 58 14.993 -25.752 -25.752 395 HA SER 58 HA SER 58 14.331 -24.247 -24.247 396 1HB SER 58 HB2 SER 58 13.747 -27.171 -27.171 397 2HB SER 58 HB1 SER 58 14.223 -26.325 -26.325 398 HG SER 58 HG SER 58 15.904 -27.592 -27.592 399 H GLU 59 HN GLU 59 12.359 -23.283 -23.283 400 HA GLU 59 HA GLU 59 9.964 -24.790 -24.790 401 1HB GLU 59 HB2 GLU 59 9.022 -22.747 -22.747 402 2HB GLU 59 HB1 GLU 59 10.411 -23.415 -23.415 403 1HG GLU 59 HG2 GLU 59 11.885 -21.767 -21.767 404 2HG GLU 59 HG1 GLU 59 10.484 -21.085 -21.085 405 H PHE 60 HN PHE 60 7.981 -23.873 -23.873 406 HA PHE 60 HA PHE 60 8.527 -22.986 -22.986 407 1HB PHE 60 HB2 PHE 60 6.068 -23.603 -23.603 408 2HB PHE 60 HB1 PHE 60 5.905 -22.729 -22.729 409 HD1 PHE 60 HD2 PHE 60 6.644 -23.759 -23.759 410 HD2 PHE 60 HD1 PHE 60 6.726 -25.926 -25.926 411 HE1 PHE 60 HE2 PHE 60 6.884 -25.887 -25.887 412 HE2 PHE 60 HE1 PHE 60 6.965 -28.055 -28.055 413 HZ PHE 60 HZ PHE 60 7.043 -28.036 -28.036 Start of MODEL 15 1 1H GLU 1 HT3 GLU 1 12.470 -9.564 -9.564 2 2H GLU 1 HT2 GLU 1 12.546 -9.356 -9.356 3 3H GLU 1 HT1 GLU 1 11.587 -8.320 -8.320 4 HA GLU 1 HA GLU 1 13.362 -6.996 -6.996 5 1HB GLU 1 HB2 GLU 1 14.546 -8.761 -8.761 6 2HB GLU 1 HB1 GLU 1 15.152 -9.435 -9.435 7 1HG GLU 1 HG2 GLU 1 16.064 -7.100 -7.100 8 2HG GLU 1 HG1 GLU 1 15.720 -6.708 -6.708 9 H ALA 2 HN ALA 2 13.385 -9.712 -9.712 10 HA ALA 2 HA ALA 2 13.782 -7.830 -7.830 11 1HB ALA 2 HB2 ALA 2 15.818 -9.938 -9.938 12 2HB ALA 2 HB1 ALA 2 15.680 -9.302 -9.302 13 3HB ALA 2 HB3 ALA 2 16.087 -8.221 -8.221 14 H GLN 3 HN GLN 3 11.863 -10.000 -10.000 15 HA GLN 3 HA GLN 3 11.362 -11.239 -11.239 16 1HB GLN 3 HB2 GLN 3 11.963 -12.712 -12.712 17 2HB GLN 3 HB1 GLN 3 10.878 -13.421 -13.421 18 1HG GLN 3 HG2 GLN 3 13.640 -12.392 -12.392 19 2HG GLN 3 HG1 GLN 3 13.321 -14.070 -14.070 20 1HE2 GLN 3 HE22 GLN 3 12.764 -13.053 -13.053 21 2HE2 GLN 3 HE21 GLN 3 13.774 -12.242 -12.242 22 H THR 4 HN THR 4 9.434 -10.019 -10.019 23 HA THR 4 HA THR 4 7.189 -11.021 -11.021 24 HB THR 4 HB THR 4 6.605 -8.494 -8.494 25 HG1 THR 4 HG1 THR 4 9.022 -8.282 -8.282 26 1HG2 THR 4 HG23 THR 4 7.168 -10.581 -10.581 27 2HG2 THR 4 HG22 THR 4 8.681 -9.715 -9.715 28 3HG2 THR 4 HG21 THR 4 7.145 -8.962 -8.962 29 H GLU 5 HN GLU 5 5.324 -9.020 -9.020 30 HA GLU 5 HA GLU 5 5.343 -9.169 -9.169 31 1HB GLU 5 HB2 GLU 5 3.040 -8.570 -8.570 32 2HB GLU 5 HB1 GLU 5 2.931 -8.867 -8.867 33 1HG GLU 5 HG2 GLU 5 3.731 -11.149 -11.149 34 2HG GLU 5 HG1 GLU 5 3.985 -10.870 -10.870 35 H THR 6 HN THR 6 5.485 -7.291 -7.291 36 HA THR 6 HA THR 6 4.773 -4.738 -4.738 37 HB THR 6 HB THR 6 7.472 -4.939 -4.939 38 HG1 THR 6 HG1 THR 6 8.285 -5.875 -5.875 39 1HG2 THR 6 HG23 THR 6 6.159 -3.131 -3.131 40 2HG2 THR 6 HG22 THR 6 7.870 -3.038 -3.038 41 3HG2 THR 6 HG21 THR 6 6.643 -2.717 -2.717 42 H CYS 7 HN CYS 7 4.237 -3.139 -3.139 43 HA CYS 7 HA CYS 7 3.773 -4.209 -4.209 44 1HB CYS 7 HB2 CYS 7 3.080 -1.528 -1.528 45 2HB CYS 7 HB1 CYS 7 2.558 -2.075 -2.075 46 H THR 8 HN THR 8 6.511 -3.160 -3.160 47 HA THR 8 HA THR 8 7.216 -1.077 -1.077 48 HB THR 8 HB THR 8 8.137 -0.952 -0.952 49 HG1 THR 8 HG1 THR 8 10.158 -0.528 -0.528 50 1HG2 THR 8 HG23 THR 8 8.210 -3.673 -3.673 51 2HG2 THR 8 HG22 THR 8 9.909 -3.296 -3.296 52 3HG2 THR 8 HG21 THR 8 9.107 -2.701 -2.701 53 H VAL 9 HN VAL 9 7.805 -1.602 -1.602 54 HA VAL 9 HA VAL 9 9.497 -3.988 -3.988 55 HB VAL 9 HB VAL 9 7.076 -3.360 -3.360 56 1HG1 VAL 9 HG11 VAL 9 9.244 -5.451 -5.451 57 2HG1 VAL 9 HG13 VAL 9 7.660 -5.792 -5.792 58 3HG1 VAL 9 HG12 VAL 9 8.632 -4.464 -4.464 59 1HG2 VAL 9 HG21 VAL 9 7.535 -5.458 -5.458 60 2HG2 VAL 9 HG23 VAL 9 6.311 -4.189 -4.189 61 3HG2 VAL 9 HG22 VAL 9 6.204 -5.513 -5.513 62 H ALA 10 HN ALA 10 10.461 -3.931 -3.931 63 HA ALA 10 HA ALA 10 11.403 -1.218 -1.218 64 1HB ALA 10 HB2 ALA 10 12.092 -3.915 -3.915 65 2HB ALA 10 HB1 ALA 10 12.773 -2.414 -2.414 66 3HB ALA 10 HB3 ALA 10 13.088 -2.896 -2.896 67 HA PRO 11 HA PRO 11 8.523 0.289 0.289 68 1HB PRO 11 HB2 PRO 11 10.816 0.739 0.739 69 2HB PRO 11 HB1 PRO 11 9.685 1.908 1.908 70 1HG PRO 11 HG2 PRO 11 12.336 1.263 1.263 71 2HG PRO 11 HG1 PRO 11 11.221 2.466 2.466 72 1HD PRO 11 HD2 PRO 11 12.024 0.173 0.173 73 2HD PRO 11 HD1 PRO 11 10.542 1.083 1.083 74 H ARG 12 HN ARG 12 11.192 -1.833 -1.833 75 HA ARG 12 HA ARG 12 9.619 -2.714 -2.714 76 1HB ARG 12 HB2 ARG 12 12.263 -3.757 -3.757 77 2HB ARG 12 HB1 ARG 12 11.567 -4.079 -4.079 78 1HG ARG 12 HG2 ARG 12 11.529 -1.457 -1.457 79 2HG ARG 12 HG1 ARG 12 12.758 -1.535 -1.535 80 1HD ARG 12 HD2 ARG 12 13.857 -3.338 -3.338 81 2HD ARG 12 HD1 ARG 12 12.864 -2.599 -2.599 82 HE ARG 12 HE ARG 12 14.230 -0.704 -0.704 83 1HH1 ARG 12 HH11 ARG 12 14.795 -2.799 -2.799 84 2HH1 ARG 12 HH12 ARG 12 16.188 -1.928 -1.928 85 1HH2 ARG 12 HH21 ARG 12 16.059 0.423 0.423 86 2HH2 ARG 12 HH22 ARG 12 16.900 -0.112 -0.112 87 H GLU 13 HN GLU 13 10.877 -4.152 -4.152 88 HA GLU 13 HA GLU 13 9.676 -6.703 -6.703 89 1HB GLU 13 HB2 GLU 13 10.417 -5.371 -5.371 90 2HB GLU 13 HB1 GLU 13 10.154 -7.097 -7.097 91 1HG GLU 13 HG2 GLU 13 12.261 -5.485 -5.485 92 2HG GLU 13 HG1 GLU 13 12.582 -6.421 -6.421 93 H ARG 14 HN ARG 14 8.219 -3.709 -3.709 94 HA ARG 14 HA ARG 14 6.139 -4.478 -4.478 95 1HB ARG 14 HB2 ARG 14 6.576 -2.211 -2.211 96 2HB ARG 14 HB1 ARG 14 4.981 -2.450 -2.450 97 1HG ARG 14 HG2 ARG 14 5.996 -2.404 -2.404 98 2HG ARG 14 HG1 ARG 14 7.579 -2.130 -2.130 99 1HD ARG 14 HD2 ARG 14 6.597 -0.070 -0.070 100 2HD ARG 14 HD1 ARG 14 5.170 -0.301 -0.301 101 HE ARG 14 HE ARG 14 7.548 -0.304 -0.304 102 1HH1 ARG 14 HH11 ARG 14 5.361 1.760 1.760 103 2HH1 ARG 14 HH12 ARG 14 5.677 3.152 3.152 104 1HH2 ARG 14 HH21 ARG 14 7.949 1.533 1.533 105 2HH2 ARG 14 HH22 ARG 14 7.136 3.024 3.024 106 H GLN 15 HN GLN 15 4.382 -5.753 -5.753 107 HA GLN 15 HA GLN 15 3.927 -6.628 -6.628 108 1HB GLN 15 HB2 GLN 15 2.458 -7.393 -7.393 109 2HB GLN 15 HB1 GLN 15 2.385 -8.231 -8.231 110 1HG GLN 15 HG2 GLN 15 4.906 -7.878 -7.878 111 2HG GLN 15 HG1 GLN 15 3.929 -9.345 -9.345 112 1HE2 GLN 15 HE22 GLN 15 5.412 -10.505 -10.505 113 2HE2 GLN 15 HE21 GLN 15 4.462 -10.846 -10.846 114 H ASN 16 HN ASN 16 2.478 -5.615 -5.615 115 HA ASN 16 HA ASN 16 0.897 -3.429 -3.429 116 1HB ASN 16 HB2 ASN 16 1.754 -3.971 -3.971 117 2HB ASN 16 HB1 ASN 16 0.330 -5.005 -5.005 118 1HD2 ASN 16 HD22 ASN 16 -1.095 -1.938 -1.938 119 2HD2 ASN 16 HD21 ASN 16 -0.303 -3.353 -3.353 120 H CYS 17 HN CYS 17 -0.813 -3.692 -3.692 121 HA CYS 17 HA CYS 17 -2.346 -6.167 -6.167 122 1HB CYS 17 HB2 CYS 17 -1.803 -4.856 -4.856 123 2HB CYS 17 HB1 CYS 17 -2.868 -3.581 -3.581 124 H GLY 18 HN GLY 18 -2.473 -3.125 -3.125 125 1HA GLY 18 HA2 GLY 18 -4.608 -3.789 -3.789 126 2HA GLY 18 HA1 GLY 18 -5.289 -2.860 -2.860 127 H PHE 19 HN PHE 19 -5.607 -1.545 -1.545 128 HA PHE 19 HA PHE 19 -3.366 -0.051 -0.051 129 1HB PHE 19 HB2 PHE 19 -5.174 1.533 1.533 130 2HB PHE 19 HB1 PHE 19 -5.235 -0.129 -0.129 131 HD1 PHE 19 HD2 PHE 19 -6.865 -1.749 -1.749 132 HD2 PHE 19 HD1 PHE 19 -6.985 2.483 2.483 133 HE1 PHE 19 HE2 PHE 19 -9.193 -1.960 -1.960 134 HE2 PHE 19 HE1 PHE 19 -9.320 2.269 2.269 135 HZ PHE 19 HZ PHE 19 -10.420 0.050 0.050 136 HA PRO 20 HA PRO 20 -3.033 3.115 3.115 137 1HB PRO 20 HB2 PRO 20 -2.428 5.317 5.317 138 2HB PRO 20 HB1 PRO 20 -1.282 4.086 4.086 139 1HG PRO 20 HG2 PRO 20 -2.217 4.583 4.583 140 2HG PRO 20 HG1 PRO 20 -1.045 3.377 3.377 141 1HD PRO 20 HD2 PRO 20 -3.864 3.020 3.020 142 2HD PRO 20 HD1 PRO 20 -2.593 1.798 1.798 143 H GLY 21 HN GLY 21 -5.197 3.915 3.915 144 1HA GLY 21 HA2 GLY 21 -6.376 6.244 6.244 145 2HA GLY 21 HA1 GLY 21 -7.167 5.130 5.130 146 H VAL 22 HN VAL 22 -6.399 3.079 3.079 147 HA VAL 22 HA VAL 22 -9.029 2.865 2.865 148 HB VAL 22 HB VAL 22 -7.968 1.399 1.399 149 1HG1 VAL 22 HG12 VAL 22 -8.592 0.606 0.606 150 2HG1 VAL 22 HG11 VAL 22 -6.916 0.875 0.875 151 3HG1 VAL 22 HG13 VAL 22 -7.298 -0.320 -0.320 152 1HG2 VAL 22 HG22 VAL 22 -5.477 2.492 2.492 153 2HG2 VAL 22 HG21 VAL 22 -5.863 2.411 2.411 154 3HG2 VAL 22 HG23 VAL 22 -5.471 0.938 0.938 155 H THR 23 HN THR 23 -9.311 2.895 2.895 156 HA THR 23 HA THR 23 -8.042 5.320 5.320 157 HB THR 23 HB THR 23 -10.325 5.982 5.982 158 HG1 THR 23 HG1 THR 23 -12.061 4.953 4.953 159 1HG2 THR 23 HG22 THR 23 -9.779 5.923 5.923 160 2HG2 THR 23 HG21 THR 23 -11.101 6.848 6.848 161 3HG2 THR 23 HG23 THR 23 -9.431 7.229 7.229 162 HA PRO 24 HA PRO 24 -7.350 3.391 3.391 163 1HB PRO 24 HB2 PRO 24 -9.421 5.025 5.025 164 2HB PRO 24 HB1 PRO 24 -7.674 4.991 4.991 165 1HG PRO 24 HG2 PRO 24 -9.198 6.873 6.873 166 2HG PRO 24 HG1 PRO 24 -7.467 6.887 6.887 167 1HD PRO 24 HD2 PRO 24 -8.519 6.483 6.483 168 2HD PRO 24 HD1 PRO 24 -6.910 5.933 5.933 169 H SER 25 HN SER 25 -10.729 3.867 3.867 170 HA SER 25 HA SER 25 -11.838 1.927 1.927 171 1HB SER 25 HB2 SER 25 -13.065 2.695 2.695 172 2HB SER 25 HB1 SER 25 -13.870 2.291 2.291 173 HG SER 25 HG SER 25 -13.890 4.378 4.378 174 H GLN 26 HN GLN 26 -11.089 1.841 1.841 175 HA GLN 26 HA GLN 26 -11.733 -0.895 -0.895 176 1HB GLN 26 HB2 GLN 26 -9.836 0.925 0.925 177 2HB GLN 26 HB1 GLN 26 -10.264 -0.701 -0.701 178 1HG GLN 26 HG2 GLN 26 -12.685 -0.006 -0.006 179 2HG GLN 26 HG1 GLN 26 -12.147 1.643 1.643 180 1HE2 GLN 26 HE22 GLN 26 -11.230 2.282 2.282 181 2HE2 GLN 26 HE21 GLN 26 -11.310 2.874 2.874 182 H CYS 27 HN CYS 27 -8.594 0.728 0.728 183 HA CYS 27 HA CYS 27 -7.053 -1.660 -1.660 184 1HB CYS 27 HB2 CYS 27 -6.301 0.843 0.843 185 2HB CYS 27 HB1 CYS 27 -6.401 0.718 0.718 186 H ALA 28 HN ALA 28 -9.227 -0.223 -0.223 187 HA ALA 28 HA ALA 28 -8.188 -1.934 -1.934 188 1HB ALA 28 HB2 ALA 28 -8.847 0.445 0.445 189 2HB ALA 28 HB1 ALA 28 -10.509 0.016 0.016 190 3HB ALA 28 HB3 ALA 28 -9.720 -0.722 -0.722 191 H ASN 29 HN ASN 29 -10.405 -2.180 -2.180 192 HA ASN 29 HA ASN 29 -12.486 -3.644 -3.644 193 1HB ASN 29 HB2 ASN 29 -12.777 -2.471 -2.471 194 2HB ASN 29 HB1 ASN 29 -11.731 -3.686 -3.686 195 1HD2 ASN 29 HD22 ASN 29 -15.610 -4.559 -4.559 196 2HD2 ASN 29 HD21 ASN 29 -14.980 -2.997 -2.997 197 H LYS 30 HN LYS 30 -9.512 -4.523 -4.523 198 HA LYS 30 HA LYS 30 -10.052 -7.371 -7.371 199 1HB LYS 30 HB2 LYS 30 -9.104 -6.469 -6.469 200 2HB LYS 30 HB1 LYS 30 -7.613 -6.144 -6.144 201 1HG LYS 30 HG2 LYS 30 -7.141 -8.390 -8.390 202 2HG LYS 30 HG1 LYS 30 -8.837 -8.865 -8.865 203 1HD LYS 30 HD2 LYS 30 -7.616 -7.671 -7.671 204 2HD LYS 30 HD1 LYS 30 -7.178 -9.328 -9.328 205 1HE LYS 30 HE2 LYS 30 -9.084 -9.620 -9.620 206 2HE LYS 30 HE1 LYS 30 -9.742 -9.683 -9.683 207 1HZ LYS 30 HZ3 LYS 30 -9.527 -7.064 -7.064 208 2HZ LYS 30 HZ2 LYS 30 -10.655 -8.102 -8.102 209 3HZ LYS 30 HZ1 LYS 30 -10.770 -7.748 -7.748 210 H GLY 31 HN GLY 31 -7.782 -4.794 -4.794 211 1HA GLY 31 HA2 GLY 31 -7.013 -4.859 -4.859 212 2HA GLY 31 HA1 GLY 31 -6.853 -6.606 -6.606 213 H CYS 32 HN CYS 32 -5.868 -4.140 -4.140 214 HA CYS 32 HA CYS 32 -3.142 -5.258 -5.258 215 1HB CYS 32 HB2 CYS 32 -4.750 -3.802 -3.802 216 2HB CYS 32 HB1 CYS 32 -3.001 -3.591 -3.591 217 H CYS 33 HN CYS 33 -1.323 -3.929 -3.929 218 HA CYS 33 HA CYS 33 -1.795 -1.699 -1.699 219 1HB CYS 33 HB2 CYS 33 0.781 -2.481 -2.481 220 2HB CYS 33 HB1 CYS 33 0.631 -1.464 -1.464 221 H PHE 34 HN PHE 34 -2.362 0.337 0.337 222 HA PHE 34 HA PHE 34 -1.884 1.120 1.120 223 1HB PHE 34 HB2 PHE 34 -4.106 1.486 1.486 224 2HB PHE 34 HB1 PHE 34 -3.304 2.659 2.659 225 HD1 PHE 34 HD2 PHE 34 -2.344 4.740 4.740 226 HD2 PHE 34 HD1 PHE 34 -4.575 1.973 1.973 227 HE1 PHE 34 HE2 PHE 34 -2.597 6.473 6.473 228 HE2 PHE 34 HE1 PHE 34 -4.828 3.704 3.704 229 HZ PHE 34 HZ PHE 34 -3.839 5.954 5.954 230 H ASP 35 HN ASP 35 -0.608 2.964 2.964 231 HA ASP 35 HA ASP 35 0.662 4.560 4.560 232 1HB ASP 35 HB2 ASP 35 1.965 2.354 2.354 233 2HB ASP 35 HB1 ASP 35 2.470 2.837 2.837 234 H ASP 36 HN ASP 36 0.365 6.525 6.525 235 HA ASP 36 HA ASP 36 0.983 6.690 6.690 236 1HB ASP 36 HB2 ASP 36 -0.379 8.830 8.830 237 2HB ASP 36 HB1 ASP 36 -1.293 7.346 7.346 238 H THR 37 HN THR 37 3.322 6.756 6.756 239 HA THR 37 HA THR 37 3.977 9.504 9.504 240 HB THR 37 HB THR 37 6.218 8.339 8.339 241 HG1 THR 37 HG1 THR 37 6.166 6.184 6.184 242 1HG2 THR 37 HG23 THR 37 3.579 8.062 8.062 243 2HG2 THR 37 HG22 THR 37 5.002 7.287 7.287 244 3HG2 THR 37 HG21 THR 37 4.982 9.032 9.032 245 H VAL 38 HN VAL 38 5.281 6.837 6.837 246 HA VAL 38 HA VAL 38 6.757 8.856 8.856 247 HB VAL 38 HB VAL 38 6.796 5.832 5.832 248 1HG1 VAL 38 HG11 VAL 38 8.551 8.049 8.049 249 2HG1 VAL 38 HG13 VAL 38 9.018 6.347 6.347 250 3HG1 VAL 38 HG12 VAL 38 7.606 6.880 6.880 251 1HG2 VAL 38 HG21 VAL 38 8.341 7.780 7.780 252 2HG2 VAL 38 HG23 VAL 38 7.661 6.216 6.216 253 3HG2 VAL 38 HG22 VAL 38 9.112 6.293 6.293 254 H ARG 39 HN ARG 39 6.611 8.783 8.783 255 HA ARG 39 HA ARG 39 3.852 8.122 8.122 256 1HB ARG 39 HB2 ARG 39 5.938 10.026 10.026 257 2HB ARG 39 HB1 ARG 39 4.450 9.637 9.637 258 1HG ARG 39 HG2 ARG 39 4.135 10.415 10.415 259 2HG ARG 39 HG1 ARG 39 4.637 11.697 11.697 260 1HD ARG 39 HD2 ARG 39 2.429 9.947 9.947 261 2HD ARG 39 HD1 ARG 39 2.046 11.033 11.033 262 HE ARG 39 HE ARG 39 3.385 12.182 12.182 263 1HH1 ARG 39 HH21 ARG 39 0.516 11.733 11.733 264 2HH1 ARG 39 HH22 ARG 39 -0.332 13.064 13.064 265 1HH2 ARG 39 HH11 ARG 39 2.255 13.921 13.921 266 2HH2 ARG 39 HH12 ARG 39 0.650 14.295 14.295 267 H GLY 40 HN GLY 40 3.722 7.402 7.402 268 1HA GLY 40 HA2 GLY 40 4.444 6.043 6.043 269 2HA GLY 40 HA1 GLY 40 6.055 6.024 6.024 270 H VAL 41 HN VAL 41 5.419 5.088 5.088 271 HA VAL 41 HA VAL 41 5.051 2.267 2.267 272 HB VAL 41 HB VAL 41 5.432 2.027 2.027 273 1HG1 VAL 41 HG13 VAL 41 7.302 3.635 3.635 274 2HG1 VAL 41 HG12 VAL 41 7.751 3.212 3.212 275 3HG1 VAL 41 HG11 VAL 41 7.419 1.940 1.940 276 1HG2 VAL 41 HG23 VAL 41 5.614 5.056 5.056 277 2HG2 VAL 41 HG22 VAL 41 4.370 4.133 4.133 278 3HG2 VAL 41 HG21 VAL 41 6.042 4.074 4.074 279 HA PRO 42 HA PRO 42 0.785 2.024 2.024 280 1HB PRO 42 HB2 PRO 42 0.816 -0.521 -0.521 281 2HB PRO 42 HB1 PRO 42 0.704 -0.169 -0.169 282 1HG PRO 42 HG2 PRO 42 2.851 -1.414 -1.414 283 2HG PRO 42 HG1 PRO 42 2.757 -1.011 -1.011 284 1HD PRO 42 HD2 PRO 42 4.132 0.431 0.431 285 2HD PRO 42 HD1 PRO 42 4.429 0.481 0.481 286 H TRP 43 HN TRP 43 -0.380 2.785 2.785 287 HA TRP 43 HA TRP 43 0.968 3.018 3.018 288 1HB TRP 43 HB2 TRP 43 -1.881 3.742 3.742 289 2HB TRP 43 HB1 TRP 43 -0.986 4.300 4.300 290 HD1 TRP 43 HD1 TRP 43 1.785 4.911 4.911 291 HE1 TRP 43 HE1 TRP 43 1.930 6.991 6.991 292 HE3 TRP 43 HE3 TRP 43 -3.182 5.701 5.701 293 HZ2 TRP 43 HZ2 TRP 43 0.174 8.755 8.755 294 HZ3 TRP 43 HZ3 TRP 43 -3.916 7.588 7.588 295 HH2 TRP 43 HH2 TRP 43 -2.246 9.115 9.115 296 H CYS 44 HN CYS 44 -1.797 1.161 1.161 297 HA CYS 44 HA CYS 44 -2.207 -0.112 -0.112 298 1HB CYS 44 HB2 CYS 44 -4.098 0.550 0.550 299 2HB CYS 44 HB1 CYS 44 -3.572 -0.777 -0.777 300 H PHE 45 HN PHE 45 -0.660 -1.661 -1.661 301 HA PHE 45 HA PHE 45 -0.179 -3.720 -3.720 302 1HB PHE 45 HB2 PHE 45 2.191 -3.817 -3.817 303 2HB PHE 45 HB1 PHE 45 1.776 -2.200 -2.200 304 HD1 PHE 45 HD2 PHE 45 0.935 -0.562 -0.562 305 HD2 PHE 45 HD1 PHE 45 3.404 -4.018 -4.018 306 HE1 PHE 45 HE2 PHE 45 1.737 0.385 0.385 307 HE2 PHE 45 HE1 PHE 45 4.212 -3.074 -3.074 308 HZ PHE 45 HZ PHE 45 3.379 -0.870 -0.870 309 H TYR 46 HN TYR 46 1.028 -5.685 -5.685 310 HA TYR 46 HA TYR 46 -0.704 -6.422 -6.422 311 1HB TYR 46 HB2 TYR 46 1.286 -7.857 -7.857 312 2HB TYR 46 HB1 TYR 46 0.737 -8.593 -8.593 313 HD1 TYR 46 HD1 TYR 46 -1.770 -8.875 -8.875 314 HD2 TYR 46 HD2 TYR 46 -0.081 -7.874 -7.874 315 HE1 TYR 46 HE1 TYR 46 -3.866 -9.594 -9.594 316 HE2 TYR 46 HE2 TYR 46 -2.175 -8.592 -8.592 317 HH TYR 46 HH TYR 46 -4.961 -9.756 -9.756 318 HA PRO 47 HA PRO 47 2.452 -5.940 -5.940 319 1HB PRO 47 HB2 PRO 47 1.648 -7.946 -7.946 320 2HB PRO 47 HB1 PRO 47 0.856 -6.371 -6.371 321 1HG PRO 47 HG2 PRO 47 -0.183 -8.941 -8.941 322 2HG PRO 47 HG1 PRO 47 -0.966 -7.362 -7.362 323 1HD PRO 47 HD2 PRO 47 0.423 -8.988 -8.988 324 2HD PRO 47 HD1 PRO 47 -0.801 -7.718 -7.718 325 H ASN 48 HN ASN 48 4.035 -7.344 -7.344 326 HA ASN 48 HA ASN 48 5.098 -9.567 -9.567 327 1HB ASN 48 HB2 ASN 48 6.424 -7.182 -7.182 328 2HB ASN 48 HB1 ASN 48 7.310 -8.704 -8.704 329 1HD2 ASN 48 HD22 ASN 48 8.419 -8.124 -8.124 330 2HD2 ASN 48 HD21 ASN 48 8.835 -8.447 -8.447 331 H THR 49 HN THR 49 4.320 -11.313 -11.313 332 HA THR 49 HA THR 49 4.869 -11.269 -11.269 333 HB THR 49 HB THR 49 3.283 -13.193 -13.193 334 HG1 THR 49 HG1 THR 49 2.993 -12.572 -12.572 335 1HG2 THR 49 HG21 THR 49 2.676 -10.602 -10.602 336 2HG2 THR 49 HG23 THR 49 1.861 -11.059 -11.059 337 3HG2 THR 49 HG22 THR 49 1.415 -11.835 -11.835 338 H ILE 50 HN ILE 50 7.106 -11.852 -11.852 339 HA ILE 50 HA ILE 50 7.675 -14.502 -14.502 340 HB ILE 50 HB ILE 50 9.627 -12.315 -12.315 341 1HG1 ILE 50 HG12 ILE 50 8.775 -13.133 -13.133 342 2HG1 ILE 50 HG11 ILE 50 8.014 -11.799 -11.799 343 1HG2 ILE 50 HG21 ILE 50 10.306 -14.832 -14.832 344 2HG2 ILE 50 HG23 ILE 50 10.132 -14.633 -14.633 345 3HG2 ILE 50 HG22 ILE 50 11.299 -13.653 -13.653 346 1HD1 ILE 50 HD12 ILE 50 10.533 -11.044 -11.044 347 2HD1 ILE 50 HD11 ILE 50 10.798 -12.014 -12.014 348 3HD1 ILE 50 HD13 ILE 50 9.682 -10.649 -10.649 349 H ASP 51 HN ASP 51 8.556 -16.128 -16.128 350 HA ASP 51 HA ASP 51 9.409 -15.481 -15.481 351 1HB ASP 51 HB2 ASP 51 6.833 -16.899 -16.899 352 2HB ASP 51 HB1 ASP 51 7.737 -17.327 -17.327 353 H VAL 52 HN VAL 52 11.078 -16.851 -16.851 354 HA VAL 52 HA VAL 52 11.055 -19.592 -19.592 355 HB VAL 52 HB VAL 52 13.368 -19.337 -19.337 356 1HG1 VAL 52 HG13 VAL 52 11.243 -19.167 -19.167 357 2HG1 VAL 52 HG12 VAL 52 11.433 -17.417 -17.417 358 3HG1 VAL 52 HG11 VAL 52 12.668 -18.403 -18.403 359 1HG2 VAL 52 HG21 VAL 52 12.848 -16.516 -16.516 360 2HG2 VAL 52 HG23 VAL 52 14.341 -17.450 -17.450 361 3HG2 VAL 52 HG22 VAL 52 13.790 -16.776 -16.776 362 HA PRO 53 HA PRO 53 12.089 -19.190 -19.190 363 1HB PRO 53 HB2 PRO 53 11.946 -22.108 -22.108 364 2HB PRO 53 HB1 PRO 53 11.043 -21.041 -21.041 365 1HG PRO 53 HG2 PRO 53 10.191 -22.195 -22.195 366 2HG PRO 53 HG1 PRO 53 9.269 -21.179 -21.179 367 1HD PRO 53 HD2 PRO 53 10.045 -20.411 -20.411 368 2HD PRO 53 HD1 PRO 53 9.631 -19.288 -19.288 369 HA PRO 54 HA PRO 54 15.993 -21.831 -21.831 370 1HB PRO 54 HB2 PRO 54 16.016 -23.284 -23.284 371 2HB PRO 54 HB1 PRO 54 15.471 -23.902 -23.902 372 1HG PRO 54 HG2 PRO 54 13.907 -23.434 -23.434 373 2HG PRO 54 HG1 PRO 54 13.361 -24.013 -24.013 374 1HD PRO 54 HD2 PRO 54 13.236 -21.282 -21.282 375 2HD PRO 54 HD1 PRO 54 12.242 -22.025 -22.025 376 H GLU 55 HN GLU 55 17.616 -22.252 -22.252 377 HA GLU 55 HA GLU 55 18.323 -19.555 -19.555 378 1HB GLU 55 HB2 GLU 55 19.959 -20.647 -20.647 379 2HB GLU 55 HB1 GLU 55 20.037 -21.279 -21.279 380 1HG GLU 55 HG2 GLU 55 18.153 -22.645 -22.645 381 2HG GLU 55 HG1 GLU 55 19.874 -22.883 -22.883 382 H GLU 56 HN GLU 56 18.461 -18.728 -18.728 383 HA GLU 56 HA GLU 56 15.915 -18.994 -18.994 384 1HB GLU 56 HB2 GLU 56 18.483 -17.658 -17.658 385 2HB GLU 56 HB1 GLU 56 16.921 -17.479 -17.479 386 1HG GLU 56 HG2 GLU 56 16.003 -16.677 -16.677 387 2HG GLU 56 HG1 GLU 56 17.671 -16.611 -16.611 388 H GLU 57 HN GLU 57 16.118 -19.260 -19.260 389 HA GLU 57 HA GLU 57 17.508 -21.850 -21.850 390 1HB GLU 57 HB2 GLU 57 15.829 -22.206 -22.206 391 2HB GLU 57 HB1 GLU 57 15.093 -22.050 -22.050 392 1HG GLU 57 HG2 GLU 57 15.458 -19.512 -19.512 393 2HG GLU 57 HG1 GLU 57 14.274 -20.629 -20.629 394 H SER 58 HN SER 58 18.597 -22.188 -22.188 395 HA SER 58 HA SER 58 19.546 -19.649 -19.649 396 1HB SER 58 HB2 SER 58 20.640 -22.423 -22.423 397 2HB SER 58 HB1 SER 58 21.439 -20.878 -20.878 398 HG SER 58 HG SER 58 21.824 -20.684 -20.684 399 H GLU 59 HN GLU 59 19.873 -19.652 -19.652 400 HA GLU 59 HA GLU 59 17.431 -20.578 -20.578 401 1HB GLU 59 HB2 GLU 59 19.752 -18.848 -18.848 402 2HB GLU 59 HB1 GLU 59 18.791 -19.567 -19.567 403 1HG GLU 59 HG2 GLU 59 17.616 -17.595 -17.595 404 2HG GLU 59 HG1 GLU 59 16.760 -18.687 -18.687 405 H PHE 60 HN PHE 60 17.398 -22.787 -22.787 406 HA PHE 60 HA PHE 60 19.841 -24.040 -24.040 407 1HB PHE 60 HB2 PHE 60 17.262 -25.212 -25.212 408 2HB PHE 60 HB1 PHE 60 18.586 -26.171 -26.171 409 HD1 PHE 60 HD2 PHE 60 21.007 -25.357 -25.357 410 HD2 PHE 60 HD1 PHE 60 17.220 -25.021 -25.021 411 HE1 PHE 60 HE2 PHE 60 22.170 -25.266 -25.266 412 HE2 PHE 60 HE1 PHE 60 18.383 -24.928 -24.928 413 HZ PHE 60 HZ PHE 60 20.859 -25.049 -25.049 Start of MODEL 16 1 1H GLU 1 HT3 GLU 1 6.435 -16.052 -16.052 2 2H GLU 1 HT2 GLU 1 5.842 -16.970 -16.970 3 3H GLU 1 HT1 GLU 1 7.198 -17.504 -17.504 4 HA GLU 1 HA GLU 1 8.597 -16.256 -16.256 5 1HB GLU 1 HB2 GLU 1 7.744 -15.610 -15.610 6 2HB GLU 1 HB1 GLU 1 7.356 -17.272 -17.272 7 1HG GLU 1 HG2 GLU 1 5.322 -15.315 -15.315 8 2HG GLU 1 HG1 GLU 1 5.527 -15.411 -15.411 9 H ALA 2 HN ALA 2 9.371 -14.111 -14.111 10 HA ALA 2 HA ALA 2 7.591 -12.000 -12.000 11 1HB ALA 2 HB2 ALA 2 9.774 -12.488 -12.488 12 2HB ALA 2 HB1 ALA 2 10.609 -11.927 -11.927 13 3HB ALA 2 HB3 ALA 2 9.584 -10.819 -10.819 14 H GLN 3 HN GLN 3 6.608 -11.906 -11.906 15 HA GLN 3 HA GLN 3 8.169 -10.041 -10.041 16 1HB GLN 3 HB2 GLN 3 7.181 -12.749 -12.749 17 2HB GLN 3 HB1 GLN 3 7.079 -11.449 -11.449 18 1HG GLN 3 HG2 GLN 3 9.218 -12.210 -12.210 19 2HG GLN 3 HG1 GLN 3 9.578 -11.001 -11.001 20 1HE2 GLN 3 HE22 GLN 3 11.221 -13.521 -13.521 21 2HE2 GLN 3 HE21 GLN 3 11.318 -11.994 -11.994 22 H THR 4 HN THR 4 6.638 -9.111 -9.111 23 HA THR 4 HA THR 4 3.809 -9.159 -9.159 24 HB THR 4 HB THR 4 3.988 -6.522 -6.522 25 HG1 THR 4 HG1 THR 4 6.410 -6.964 -6.964 26 1HG2 THR 4 HG21 THR 4 3.441 -8.150 -8.150 27 2HG2 THR 4 HG23 THR 4 5.028 -7.628 -7.628 28 3HG2 THR 4 HG22 THR 4 3.755 -6.438 -6.438 29 H GLU 5 HN GLU 5 2.588 -7.554 -7.554 30 HA GLU 5 HA GLU 5 3.505 -8.326 -8.326 31 1HB GLU 5 HB2 GLU 5 0.950 -7.141 -7.141 32 2HB GLU 5 HB1 GLU 5 1.255 -7.265 -7.265 33 1HG GLU 5 HG2 GLU 5 1.766 -9.744 -9.744 34 2HG GLU 5 HG1 GLU 5 1.040 -9.504 -9.504 35 H THR 6 HN THR 6 4.207 -6.850 -6.850 36 HA THR 6 HA THR 6 4.098 -3.980 -3.980 37 HB THR 6 HB THR 6 6.609 -5.023 -5.023 38 HG1 THR 6 HG1 THR 6 7.211 -6.037 -6.037 39 1HG2 THR 6 HG21 THR 6 6.155 -2.600 -2.600 40 2HG2 THR 6 HG23 THR 6 6.045 -2.914 -2.914 41 3HG2 THR 6 HG22 THR 6 7.571 -3.166 -3.166 42 H CYS 7 HN CYS 7 4.304 -2.576 -2.576 43 HA CYS 7 HA CYS 7 3.698 -4.028 -4.028 44 1HB CYS 7 HB2 CYS 7 2.866 -1.228 -1.228 45 2HB CYS 7 HB1 CYS 7 2.410 -2.059 -2.059 46 H THR 8 HN THR 8 6.381 -3.243 -3.243 47 HA THR 8 HA THR 8 7.194 -1.108 -1.108 48 HB THR 8 HB THR 8 8.030 -0.953 -0.953 49 HG1 THR 8 HG1 THR 8 10.340 -1.805 -1.805 50 1HG2 THR 8 HG23 THR 8 8.007 -3.651 -3.651 51 2HG2 THR 8 HG22 THR 8 9.720 -3.381 -3.381 52 3HG2 THR 8 HG21 THR 8 8.972 -2.690 -2.690 53 H VAL 9 HN VAL 9 7.995 -1.635 -1.635 54 HA VAL 9 HA VAL 9 9.581 -4.093 -4.093 55 HB VAL 9 HB VAL 9 7.203 -3.480 -3.480 56 1HG1 VAL 9 HG11 VAL 9 9.380 -5.551 -5.551 57 2HG1 VAL 9 HG13 VAL 9 7.789 -5.971 -5.971 58 3HG1 VAL 9 HG12 VAL 9 8.709 -4.653 -4.653 59 1HG2 VAL 9 HG23 VAL 9 7.606 -5.421 -5.421 60 2HG2 VAL 9 HG22 VAL 9 6.301 -4.256 -4.256 61 3HG2 VAL 9 HG21 VAL 9 6.386 -5.690 -5.690 62 H ALA 10 HN ALA 10 10.620 -4.129 -4.129 63 HA ALA 10 HA ALA 10 11.727 -1.519 -1.519 64 1HB ALA 10 HB1 ALA 10 12.182 -4.296 -4.296 65 2HB ALA 10 HB3 ALA 10 12.638 -3.012 -3.012 66 3HB ALA 10 HB2 ALA 10 13.350 -3.069 -3.069 67 HA PRO 11 HA PRO 11 8.519 0.153 0.153 68 1HB PRO 11 HB2 PRO 11 10.744 1.185 1.185 69 2HB PRO 11 HB1 PRO 11 9.470 2.066 2.066 70 1HG PRO 11 HG2 PRO 11 12.170 1.663 1.663 71 2HG PRO 11 HG1 PRO 11 10.885 2.523 2.523 72 1HD PRO 11 HD2 PRO 11 12.064 0.137 0.137 73 2HD PRO 11 HD1 PRO 11 10.518 0.776 0.776 74 H ARG 12 HN ARG 12 11.486 -1.133 -1.133 75 HA ARG 12 HA ARG 12 10.094 -1.826 -1.826 76 1HB ARG 12 HB2 ARG 12 12.800 -2.379 -2.379 77 2HB ARG 12 HB1 ARG 12 12.247 -3.356 -3.356 78 1HG ARG 12 HG2 ARG 12 11.768 -1.268 -1.268 79 2HG ARG 12 HG1 ARG 12 12.418 -0.330 -0.330 80 1HD ARG 12 HD2 ARG 12 14.172 -0.602 -0.602 81 2HD ARG 12 HD1 ARG 12 14.578 -1.586 -1.586 82 HE ARG 12 HE ARG 12 13.404 -3.450 -3.450 83 1HH1 ARG 12 HH11 ARG 12 15.363 -0.819 -0.819 84 2HH1 ARG 12 HH12 ARG 12 15.912 -1.684 -1.684 85 1HH2 ARG 12 HH21 ARG 12 14.138 -4.565 -4.565 86 2HH2 ARG 12 HH22 ARG 12 15.221 -3.795 -3.795 87 H GLU 13 HN GLU 13 11.274 -3.777 -3.777 88 HA GLU 13 HA GLU 13 9.932 -6.148 -6.148 89 1HB GLU 13 HB2 GLU 13 11.588 -5.494 -5.494 90 2HB GLU 13 HB1 GLU 13 10.652 -6.989 -6.989 91 1HG GLU 13 HG2 GLU 13 11.833 -7.790 -7.790 92 2HG GLU 13 HG1 GLU 13 12.493 -6.196 -6.196 93 H ARG 14 HN ARG 14 8.134 -3.950 -3.950 94 HA ARG 14 HA ARG 14 6.741 -4.532 -4.532 95 1HB ARG 14 HB2 ARG 14 6.621 -2.400 -2.400 96 2HB ARG 14 HB1 ARG 14 5.141 -2.745 -2.745 97 1HG ARG 14 HG2 ARG 14 6.684 -2.629 -2.629 98 2HG ARG 14 HG1 ARG 14 7.784 -1.757 -1.757 99 1HD ARG 14 HD2 ARG 14 5.788 -0.268 -0.268 100 2HD ARG 14 HD1 ARG 14 4.964 -1.002 -1.002 101 HE ARG 14 HE ARG 14 7.306 -0.195 -0.195 102 1HH1 ARG 14 HH11 ARG 14 4.975 1.384 1.384 103 2HH1 ARG 14 HH12 ARG 14 5.287 2.963 2.963 104 1HH2 ARG 14 HH21 ARG 14 7.700 1.884 1.884 105 2HH2 ARG 14 HH22 ARG 14 6.824 3.244 3.244 106 H GLN 15 HN GLN 15 4.771 -5.634 -5.634 107 HA GLN 15 HA GLN 15 4.030 -7.142 -7.142 108 1HB GLN 15 HB2 GLN 15 4.044 -7.794 -7.794 109 2HB GLN 15 HB1 GLN 15 2.361 -7.307 -7.307 110 1HG GLN 15 HG2 GLN 15 2.166 -9.514 -9.514 111 2HG GLN 15 HG1 GLN 15 2.571 -8.812 -8.812 112 1HE2 GLN 15 HE21 GLN 15 4.591 -9.384 -9.384 113 2HE2 GLN 15 HE22 GLN 15 5.699 -10.439 -10.439 114 H ASN 16 HN ASN 16 2.801 -6.018 -6.018 115 HA ASN 16 HA ASN 16 1.154 -3.800 -3.800 116 1HB ASN 16 HB2 ASN 16 2.107 -4.383 -4.383 117 2HB ASN 16 HB1 ASN 16 0.840 -5.603 -5.603 118 1HD2 ASN 16 HD22 ASN 16 -1.805 -3.152 -3.152 119 2HD2 ASN 16 HD21 ASN 16 -1.477 -4.704 -4.704 120 H CYS 17 HN CYS 17 -0.772 -3.837 -3.837 121 HA CYS 17 HA CYS 17 -2.253 -6.379 -6.379 122 1HB CYS 17 HB2 CYS 17 -1.714 -5.027 -5.027 123 2HB CYS 17 HB1 CYS 17 -2.814 -3.790 -3.790 124 H GLY 18 HN GLY 18 -2.334 -3.280 -3.280 125 1HA GLY 18 HA2 GLY 18 -4.421 -3.937 -3.937 126 2HA GLY 18 HA1 GLY 18 -5.132 -3.024 -3.024 127 H PHE 19 HN PHE 19 -5.433 -1.650 -1.650 128 HA PHE 19 HA PHE 19 -3.173 -0.162 -0.162 129 1HB PHE 19 HB2 PHE 19 -4.974 1.450 1.450 130 2HB PHE 19 HB1 PHE 19 -5.032 -0.200 -0.200 131 HD1 PHE 19 HD1 PHE 19 -6.685 -1.830 -1.830 132 HD2 PHE 19 HD2 PHE 19 -6.774 2.364 2.364 133 HE1 PHE 19 HE1 PHE 19 -9.017 -2.058 -2.058 134 HE2 PHE 19 HE2 PHE 19 -9.109 2.133 2.133 135 HZ PHE 19 HZ PHE 19 -10.229 -0.078 -0.078 136 HA PRO 20 HA PRO 20 -2.835 2.956 2.956 137 1HB PRO 20 HB2 PRO 20 -2.219 5.182 5.182 138 2HB PRO 20 HB1 PRO 20 -1.079 3.939 3.939 139 1HG PRO 20 HG2 PRO 20 -2.004 4.481 4.481 140 2HG PRO 20 HG1 PRO 20 -0.838 3.260 3.260 141 1HD PRO 20 HD2 PRO 20 -3.656 2.926 2.926 142 2HD PRO 20 HD1 PRO 20 -2.391 1.697 1.697 143 H GLY 21 HN GLY 21 -5.001 3.798 3.798 144 1HA GLY 21 HA2 GLY 21 -6.167 6.129 6.129 145 2HA GLY 21 HA1 GLY 21 -6.988 4.988 4.988 146 H VAL 22 HN VAL 22 -6.237 2.940 2.940 147 HA VAL 22 HA VAL 22 -8.826 2.846 2.846 148 HB VAL 22 HB VAL 22 -7.770 1.302 1.302 149 1HG1 VAL 22 HG12 VAL 22 -8.497 0.600 0.600 150 2HG1 VAL 22 HG11 VAL 22 -6.813 0.763 0.763 151 3HG1 VAL 22 HG13 VAL 22 -7.261 -0.422 -0.422 152 1HG2 VAL 22 HG23 VAL 22 -5.285 2.325 2.325 153 2HG2 VAL 22 HG22 VAL 22 -5.611 2.202 2.202 154 3HG2 VAL 22 HG21 VAL 22 -5.310 0.744 0.744 155 H THR 23 HN THR 23 -9.333 3.152 3.152 156 HA THR 23 HA THR 23 -7.799 5.438 5.438 157 HB THR 23 HB THR 23 -10.111 5.950 5.950 158 HG1 THR 23 HG1 THR 23 -10.820 3.836 3.836 159 1HG2 THR 23 HG21 THR 23 -8.812 7.083 7.083 160 2HG2 THR 23 HG23 THR 23 -10.146 6.416 6.416 161 3HG2 THR 23 HG22 THR 23 -10.472 7.545 7.545 162 HA PRO 24 HA PRO 24 -6.814 3.480 3.480 163 1HB PRO 24 HB2 PRO 24 -8.685 5.193 5.193 164 2HB PRO 24 HB1 PRO 24 -6.922 5.098 5.098 165 1HG PRO 24 HG2 PRO 24 -8.526 7.030 7.030 166 2HG PRO 24 HG1 PRO 24 -6.766 6.983 6.983 167 1HD PRO 24 HD2 PRO 24 -8.090 6.610 6.610 168 2HD PRO 24 HD1 PRO 24 -6.450 6.021 6.021 169 H SER 25 HN SER 25 -10.294 4.201 4.201 170 HA SER 25 HA SER 25 -11.236 2.215 2.215 171 1HB SER 25 HB2 SER 25 -13.360 2.505 2.505 172 2HB SER 25 HB1 SER 25 -12.853 3.818 3.818 173 HG SER 25 HG SER 25 -12.649 4.948 4.948 174 H GLN 26 HN GLN 26 -10.879 2.265 2.265 175 HA GLN 26 HA GLN 26 -11.813 -0.377 -0.377 176 1HB GLN 26 HB2 GLN 26 -10.116 1.552 1.552 177 2HB GLN 26 HB1 GLN 26 -10.240 -0.118 -0.118 178 1HG GLN 26 HG2 GLN 26 -12.694 0.063 0.063 179 2HG GLN 26 HG1 GLN 26 -12.585 1.727 1.727 180 1HE2 GLN 26 HE22 GLN 26 -11.057 1.058 1.058 181 2HE2 GLN 26 HE21 GLN 26 -10.748 -0.074 -0.074 182 H CYS 27 HN CYS 27 -8.485 0.911 0.911 183 HA CYS 27 HA CYS 27 -7.184 -1.604 -1.604 184 1HB CYS 27 HB2 CYS 27 -6.112 0.709 0.709 185 2HB CYS 27 HB1 CYS 27 -6.245 0.723 0.723 186 H ALA 28 HN ALA 28 -8.922 -0.046 -0.046 187 HA ALA 28 HA ALA 28 -7.895 -1.945 -1.945 188 1HB ALA 28 HB2 ALA 28 -8.448 0.502 0.502 189 2HB ALA 28 HB1 ALA 28 -10.145 0.041 0.041 190 3HB ALA 28 HB3 ALA 28 -9.129 -0.682 -0.682 191 H ASN 29 HN ASN 29 -10.327 -1.912 -1.912 192 HA ASN 29 HA ASN 29 -12.321 -3.410 -3.410 193 1HB ASN 29 HB2 ASN 29 -12.536 -1.921 -1.921 194 2HB ASN 29 HB1 ASN 29 -12.152 -3.443 -3.443 195 1HD2 ASN 29 HD22 ASN 29 -15.863 -2.882 -2.882 196 2HD2 ASN 29 HD21 ASN 29 -14.718 -1.634 -1.634 197 H LYS 30 HN LYS 30 -9.656 -4.158 -4.158 198 HA LYS 30 HA LYS 30 -10.303 -6.999 -6.999 199 1HB LYS 30 HB2 LYS 30 -8.326 -5.230 -5.230 200 2HB LYS 30 HB1 LYS 30 -7.851 -6.911 -6.911 201 1HG LYS 30 HG2 LYS 30 -10.602 -6.438 -6.438 202 2HG LYS 30 HG1 LYS 30 -9.268 -6.122 -6.122 203 1HD LYS 30 HD2 LYS 30 -8.358 -8.407 -8.407 204 2HD LYS 30 HD1 LYS 30 -9.854 -8.707 -8.707 205 1HE LYS 30 HE2 LYS 30 -11.115 -8.161 -8.161 206 2HE LYS 30 HE1 LYS 30 -9.563 -8.130 -8.130 207 1HZ LYS 30 HZ2 LYS 30 -10.605 -10.407 -10.407 208 2HZ LYS 30 HZ1 LYS 30 -10.677 -10.267 -10.267 209 3HZ LYS 30 HZ3 LYS 30 -9.174 -10.370 -10.370 210 H GLY 31 HN GLY 31 -7.823 -4.832 -4.832 211 1HA GLY 31 HA2 GLY 31 -7.141 -5.404 -5.404 212 2HA GLY 31 HA1 GLY 31 -7.056 -7.082 -7.082 213 H CYS 32 HN CYS 32 -5.928 -4.213 -4.213 214 HA CYS 32 HA CYS 32 -3.195 -5.370 -5.370 215 1HB CYS 32 HB2 CYS 32 -4.763 -4.021 -4.021 216 2HB CYS 32 HB1 CYS 32 -3.023 -3.739 -3.739 217 H CYS 33 HN CYS 33 -1.432 -3.922 -3.922 218 HA CYS 33 HA CYS 33 -2.055 -1.692 -1.692 219 1HB CYS 33 HB2 CYS 33 0.570 -2.431 -2.431 220 2HB CYS 33 HB1 CYS 33 0.370 -1.321 -1.321 221 H PHE 34 HN PHE 34 -2.546 0.373 0.373 222 HA PHE 34 HA PHE 34 -2.071 1.085 1.085 223 1HB PHE 34 HB2 PHE 34 -4.370 1.338 1.338 224 2HB PHE 34 HB1 PHE 34 -3.719 2.533 2.533 225 HD1 PHE 34 HD2 PHE 34 -4.433 1.795 1.795 226 HD2 PHE 34 HD1 PHE 34 -3.077 4.745 4.745 227 HE1 PHE 34 HE2 PHE 34 -4.653 3.552 3.552 228 HE2 PHE 34 HE1 PHE 34 -3.297 6.502 6.502 229 HZ PHE 34 HZ PHE 34 -4.085 5.907 5.907 230 H ASP 35 HN ASP 35 -0.807 2.900 2.900 231 HA ASP 35 HA ASP 35 0.244 4.638 4.638 232 1HB ASP 35 HB2 ASP 35 1.698 2.542 2.542 233 2HB ASP 35 HB1 ASP 35 2.196 3.004 3.004 234 H ASP 36 HN ASP 36 -0.039 6.601 6.601 235 HA ASP 36 HA ASP 36 0.562 6.784 6.784 236 1HB ASP 36 HB2 ASP 36 -0.896 8.816 8.816 237 2HB ASP 36 HB1 ASP 36 -1.757 7.341 7.341 238 H THR 37 HN THR 37 2.861 6.842 6.842 239 HA THR 37 HA THR 37 3.453 9.618 9.618 240 HB THR 37 HB THR 37 5.573 8.698 8.698 241 HG1 THR 37 HG1 THR 37 5.211 6.132 6.132 242 1HG2 THR 37 HG22 THR 37 3.109 7.114 7.114 243 2HG2 THR 37 HG21 THR 37 4.618 7.095 7.095 244 3HG2 THR 37 HG23 THR 37 3.700 8.592 8.592 245 H VAL 38 HN VAL 38 4.917 7.049 7.049 246 HA VAL 38 HA VAL 38 6.200 9.183 9.183 247 HB VAL 38 HB VAL 38 6.566 6.177 6.177 248 1HG1 VAL 38 HG12 VAL 38 8.019 8.557 8.557 249 2HG1 VAL 38 HG11 VAL 38 8.754 6.956 6.956 250 3HG1 VAL 38 HG13 VAL 38 7.294 7.199 7.199 251 1HG2 VAL 38 HG22 VAL 38 7.759 8.282 8.282 252 2HG2 VAL 38 HG21 VAL 38 7.470 6.573 6.573 253 3HG2 VAL 38 HG23 VAL 38 8.852 7.058 7.058 254 H ARG 39 HN ARG 39 6.108 8.969 8.969 255 HA ARG 39 HA ARG 39 3.415 8.047 8.047 256 1HB ARG 39 HB2 ARG 39 5.286 10.184 10.184 257 2HB ARG 39 HB1 ARG 39 4.077 9.508 9.508 258 1HG ARG 39 HG2 ARG 39 2.899 11.284 11.284 259 2HG ARG 39 HG1 ARG 39 2.432 9.945 9.945 260 1HD ARG 39 HD2 ARG 39 3.653 10.730 10.730 261 2HD ARG 39 HD1 ARG 39 4.912 11.408 11.408 262 HE ARG 39 HE ARG 39 2.276 12.731 12.731 263 1HH1 ARG 39 HH21 ARG 39 5.667 12.680 12.680 264 2HH1 ARG 39 HH22 ARG 39 5.740 14.374 14.374 265 1HH2 ARG 39 HH11 ARG 39 2.395 14.947 14.947 266 2HH2 ARG 39 HH12 ARG 39 3.895 15.650 15.650 267 H GLY 40 HN GLY 40 3.419 7.348 7.348 268 1HA GLY 40 HA2 GLY 40 4.293 6.016 6.016 269 2HA GLY 40 HA1 GLY 40 5.859 6.056 6.056 270 H VAL 41 HN VAL 41 5.198 5.070 5.070 271 HA VAL 41 HA VAL 41 4.910 2.249 2.249 272 HB VAL 41 HB VAL 41 5.226 2.002 2.002 273 1HG1 VAL 41 HG11 VAL 41 7.119 2.309 2.309 274 2HG1 VAL 41 HG13 VAL 41 7.225 3.969 3.969 275 3HG1 VAL 41 HG12 VAL 41 7.521 2.627 2.627 276 1HG2 VAL 41 HG22 VAL 41 4.061 4.148 4.148 277 2HG2 VAL 41 HG21 VAL 41 5.637 3.982 3.982 278 3HG2 VAL 41 HG23 VAL 41 5.451 5.027 5.027 279 HA PRO 42 HA PRO 42 0.618 1.874 1.874 280 1HB PRO 42 HB2 PRO 42 0.698 -0.687 -0.687 281 2HB PRO 42 HB1 PRO 42 0.617 -0.314 -0.314 282 1HG PRO 42 HG2 PRO 42 2.764 -1.519 -1.519 283 2HG PRO 42 HG1 PRO 42 2.703 -1.085 -1.085 284 1HD PRO 42 HD2 PRO 42 3.973 0.357 0.357 285 2HD PRO 42 HD1 PRO 42 4.322 0.444 0.444 286 H TRP 43 HN TRP 43 -0.534 2.689 2.689 287 HA TRP 43 HA TRP 43 0.713 2.916 2.916 288 1HB TRP 43 HB2 TRP 43 -2.159 3.485 3.485 289 2HB TRP 43 HB1 TRP 43 -1.320 4.081 4.081 290 HD1 TRP 43 HD1 TRP 43 1.440 4.839 4.839 291 HE1 TRP 43 HE1 TRP 43 1.487 6.946 6.946 292 HE3 TRP 43 HE3 TRP 43 -3.558 5.402 5.402 293 HZ2 TRP 43 HZ2 TRP 43 -0.350 8.646 8.646 294 HZ3 TRP 43 HZ3 TRP 43 -4.379 7.273 7.273 295 HH2 TRP 43 HH2 TRP 43 -2.785 8.894 8.894 296 H CYS 44 HN CYS 44 -1.899 0.889 0.889 297 HA CYS 44 HA CYS 44 -2.314 -0.381 -0.381 298 1HB CYS 44 HB2 CYS 44 -4.159 0.153 0.153 299 2HB CYS 44 HB1 CYS 44 -3.544 -1.241 -1.241 300 H PHE 45 HN PHE 45 -0.734 -1.847 -1.847 301 HA PHE 45 HA PHE 45 -0.051 -3.906 -3.906 302 1HB PHE 45 HB2 PHE 45 2.304 -3.842 -3.842 303 2HB PHE 45 HB1 PHE 45 1.807 -2.263 -2.263 304 HD1 PHE 45 HD1 PHE 45 0.799 -0.659 -0.659 305 HD2 PHE 45 HD2 PHE 45 3.510 -3.914 -3.914 306 HE1 PHE 45 HE1 PHE 45 1.495 0.374 0.374 307 HE2 PHE 45 HE2 PHE 45 4.209 -2.882 -2.882 308 HZ PHE 45 HZ PHE 45 3.200 -0.736 -0.736 309 H TYR 46 HN TYR 46 1.373 -5.687 -5.687 310 HA TYR 46 HA TYR 46 -0.439 -6.480 -6.480 311 1HB TYR 46 HB2 TYR 46 1.625 -7.849 -7.849 312 2HB TYR 46 HB1 TYR 46 1.212 -8.549 -8.549 313 HD1 TYR 46 HD1 TYR 46 -1.051 -9.374 -9.374 314 HD2 TYR 46 HD2 TYR 46 -0.009 -7.742 -7.742 315 HE1 TYR 46 HE1 TYR 46 -3.121 -10.333 -10.333 316 HE2 TYR 46 HE2 TYR 46 -2.079 -8.701 -8.701 317 HH TYR 46 HH TYR 46 -4.005 -9.735 -9.735 318 HA PRO 47 HA PRO 47 2.578 -5.674 -5.674 319 1HB PRO 47 HB2 PRO 47 1.711 -7.544 -7.544 320 2HB PRO 47 HB1 PRO 47 0.910 -5.999 -5.999 321 1HG PRO 47 HG2 PRO 47 -0.060 -8.634 -8.634 322 2HG PRO 47 HG1 PRO 47 -0.860 -7.086 -7.086 323 1HD PRO 47 HD2 PRO 47 0.627 -8.831 -8.831 324 2HD PRO 47 HD1 PRO 47 -0.597 -7.590 -7.590 325 H ASN 48 HN ASN 48 4.551 -6.445 -6.445 326 HA ASN 48 HA ASN 48 5.308 -9.211 -9.211 327 1HB ASN 48 HB2 ASN 48 6.748 -6.608 -6.608 328 2HB ASN 48 HB1 ASN 48 7.701 -8.048 -8.048 329 1HD2 ASN 48 HD22 ASN 48 7.665 -8.824 -8.824 330 2HD2 ASN 48 HD21 ASN 48 8.588 -8.563 -8.563 331 H THR 49 HN THR 49 5.073 -10.222 -10.222 332 HA THR 49 HA THR 49 5.604 -9.012 -9.012 333 HB THR 49 HB THR 49 5.877 -11.510 -11.510 334 HG1 THR 49 HG1 THR 49 6.231 -11.940 -11.940 335 1HG2 THR 49 HG22 THR 49 3.459 -10.139 -10.139 336 2HG2 THR 49 HG21 THR 49 3.325 -11.812 -11.812 337 3HG2 THR 49 HG23 THR 49 3.827 -10.559 -10.559 338 H ILE 50 HN ILE 50 7.629 -8.000 -8.000 339 HA ILE 50 HA ILE 50 9.951 -9.840 -9.840 340 HB ILE 50 HB ILE 50 9.948 -6.948 -6.948 341 1HG1 ILE 50 HG12 ILE 50 10.273 -9.409 -9.409 342 2HG1 ILE 50 HG11 ILE 50 8.698 -8.660 -8.660 343 1HG2 ILE 50 HG23 ILE 50 12.037 -9.147 -9.147 344 2HG2 ILE 50 HG22 ILE 50 12.208 -7.601 -7.601 345 3HG2 ILE 50 HG21 ILE 50 12.102 -7.650 -7.650 346 1HD1 ILE 50 HD11 ILE 50 11.107 -7.119 -7.119 347 2HD1 ILE 50 HD13 ILE 50 9.928 -7.863 -7.863 348 3HD1 ILE 50 HD12 ILE 50 9.426 -6.585 -6.585 349 H ASP 51 HN ASP 51 11.708 -9.203 -9.203 350 HA ASP 51 HA ASP 51 10.816 -7.310 -7.310 351 1HB ASP 51 HB2 ASP 51 10.740 -9.897 -9.897 352 2HB ASP 51 HB1 ASP 51 12.486 -9.715 -9.715 353 H VAL 52 HN VAL 52 12.545 -6.151 -6.151 354 HA VAL 52 HA VAL 52 15.186 -6.403 -6.403 355 HB VAL 52 HB VAL 52 15.351 -3.909 -3.909 356 1HG1 VAL 52 HG13 VAL 52 14.634 -5.111 -5.111 357 2HG1 VAL 52 HG12 VAL 52 12.956 -4.926 -4.926 358 3HG1 VAL 52 HG11 VAL 52 13.925 -3.502 -3.502 359 1HG2 VAL 52 HG23 VAL 52 13.456 -3.867 -3.867 360 2HG2 VAL 52 HG22 VAL 52 13.523 -2.563 -2.563 361 3HG2 VAL 52 HG21 VAL 52 12.367 -3.879 -3.879 362 HA PRO 53 HA PRO 53 17.203 -6.769 -6.769 363 1HB PRO 53 HB2 PRO 53 18.854 -4.417 -4.417 364 2HB PRO 53 HB1 PRO 53 19.321 -6.122 -6.122 365 1HG PRO 53 HG2 PRO 53 18.806 -4.393 -4.393 366 2HG PRO 53 HG1 PRO 53 19.546 -6.003 -6.003 367 1HD PRO 53 HD2 PRO 53 17.074 -5.504 -5.504 368 2HD PRO 53 HD1 PRO 53 17.551 -7.073 -7.073 369 HA PRO 54 HA PRO 54 16.720 -1.950 -1.950 370 1HB PRO 54 HB2 PRO 54 14.507 -1.229 -1.229 371 2HB PRO 54 HB1 PRO 54 15.965 -0.314 -0.314 372 1HG PRO 54 HG2 PRO 54 15.426 -1.865 -1.865 373 2HG PRO 54 HG1 PRO 54 16.843 -0.872 -0.872 374 1HD PRO 54 HD2 PRO 54 16.871 -3.623 -3.623 375 2HD PRO 54 HD1 PRO 54 18.074 -2.670 -2.670 376 H GLU 55 HN GLU 55 14.948 -1.314 -1.314 377 HA GLU 55 HA GLU 55 12.825 -3.385 -3.385 378 1HB GLU 55 HB2 GLU 55 14.397 -1.908 -1.908 379 2HB GLU 55 HB1 GLU 55 12.790 -2.526 -2.526 380 1HG GLU 55 HG2 GLU 55 14.909 -4.272 -4.272 381 2HG GLU 55 HG1 GLU 55 14.771 -4.092 -4.092 382 H GLU 56 HN GLU 56 10.670 -2.676 -2.676 383 HA GLU 56 HA GLU 56 10.269 0.224 0.224 384 1HB GLU 56 HB2 GLU 56 8.744 -2.243 -2.243 385 2HB GLU 56 HB1 GLU 56 7.842 -0.750 -0.750 386 1HG GLU 56 HG2 GLU 56 8.842 0.339 0.339 387 2HG GLU 56 HG1 GLU 56 10.295 -0.658 -0.658 388 H GLU 57 HN GLU 57 9.720 1.360 1.360 389 HA GLU 57 HA GLU 57 7.896 0.072 0.072 390 1HB GLU 57 HB2 GLU 57 10.394 -0.001 -0.001 391 2HB GLU 57 HB1 GLU 57 10.230 1.740 1.740 392 1HG GLU 57 HG2 GLU 57 8.732 1.500 1.500 393 2HG GLU 57 HG1 GLU 57 8.177 -0.081 -0.081 394 H SER 58 HN SER 58 6.573 1.603 1.603 395 HA SER 58 HA SER 58 6.048 4.026 4.026 396 1HB SER 58 HB2 SER 58 4.489 4.350 4.350 397 2HB SER 58 HB1 SER 58 4.089 3.156 3.156 398 HG SER 58 HG SER 58 5.208 2.808 2.808 399 H GLU 59 HN GLU 59 6.843 6.057 6.057 400 HA GLU 59 HA GLU 59 7.948 6.599 6.599 401 1HB GLU 59 HB2 GLU 59 9.982 7.604 7.604 402 2HB GLU 59 HB1 GLU 59 9.879 5.864 5.864 403 1HG GLU 59 HG2 GLU 59 8.560 6.698 6.698 404 2HG GLU 59 HG1 GLU 59 9.600 8.100 8.100 405 H PHE 60 HN PHE 60 8.070 8.906 8.906 406 HA PHE 60 HA PHE 60 6.816 10.675 10.675 407 1HB PHE 60 HB2 PHE 60 5.185 9.643 9.643 408 2HB PHE 60 HB1 PHE 60 5.919 10.854 10.854 409 HD1 PHE 60 HD2 PHE 60 5.746 13.268 13.268 410 HD2 PHE 60 HD1 PHE 60 3.729 10.274 10.274 411 HE1 PHE 60 HE2 PHE 60 4.315 15.021 15.021 412 HE2 PHE 60 HE1 PHE 60 2.297 12.026 12.026 413 HZ PHE 60 HZ PHE 60 2.590 14.400 14.400 Start of MODEL 17 1 1H GLU 1 HT1 GLU 1 12.803 -15.694 -15.694 2 2H GLU 1 HT3 GLU 1 12.836 -17.229 -17.229 3 3H GLU 1 HT2 GLU 1 12.775 -17.088 -17.088 4 HA GLU 1 HA GLU 1 10.614 -17.282 -17.282 5 1HB GLU 1 HB2 GLU 1 10.977 -16.708 -16.708 6 2HB GLU 1 HB1 GLU 1 9.461 -17.214 -17.214 7 1HG GLU 1 HG2 GLU 1 10.347 -19.339 -19.339 8 2HG GLU 1 HG1 GLU 1 12.004 -18.822 -18.822 9 H ALA 2 HN ALA 2 12.005 -14.716 -14.716 10 HA ALA 2 HA ALA 2 10.110 -12.741 -12.741 11 1HB ALA 2 HB1 ALA 2 12.699 -12.444 -12.444 12 2HB ALA 2 HB3 ALA 2 12.392 -12.111 -12.111 13 3HB ALA 2 HB2 ALA 2 11.663 -11.093 -11.093 14 H GLN 3 HN GLN 3 8.195 -12.981 -12.981 15 HA GLN 3 HA GLN 3 8.442 -12.398 -12.398 16 1HB GLN 3 HB2 GLN 3 6.800 -14.603 -14.603 17 2HB GLN 3 HB1 GLN 3 6.564 -14.042 -14.042 18 1HG GLN 3 HG2 GLN 3 9.294 -14.884 -14.884 19 2HG GLN 3 HG1 GLN 3 8.129 -16.081 -16.081 20 1HE2 GLN 3 HE22 GLN 3 9.719 -13.411 -13.411 21 2HE2 GLN 3 HE21 GLN 3 9.786 -13.062 -13.062 22 H THR 4 HN THR 4 7.039 -10.787 -10.787 23 HA THR 4 HA THR 4 4.600 -10.343 -10.343 24 HB THR 4 HB THR 4 5.150 -7.854 -7.854 25 HG1 THR 4 HG1 THR 4 7.831 -8.567 -8.567 26 1HG2 THR 4 HG23 THR 4 5.565 -9.718 -9.718 27 2HG2 THR 4 HG22 THR 4 7.237 -9.216 -9.216 28 3HG2 THR 4 HG21 THR 4 6.024 -8.032 -8.032 29 H GLU 5 HN GLU 5 3.433 -8.286 -8.286 30 HA GLU 5 HA GLU 5 3.497 -8.942 -8.942 31 1HB GLU 5 HB2 GLU 5 1.307 -8.132 -8.132 32 2HB GLU 5 HB1 GLU 5 1.146 -7.787 -7.787 33 1HG GLU 5 HG2 GLU 5 1.190 -10.063 -10.063 34 2HG GLU 5 HG1 GLU 5 1.925 -10.540 -10.540 35 H THR 6 HN THR 6 4.167 -7.334 -7.334 36 HA THR 6 HA THR 6 3.740 -4.534 -4.534 37 HB THR 6 HB THR 6 6.504 -5.205 -5.205 38 HG1 THR 6 HG1 THR 6 7.102 -5.620 -5.620 39 1HG2 THR 6 HG21 THR 6 5.377 -2.886 -2.886 40 2HG2 THR 6 HG23 THR 6 5.714 -3.323 -3.323 41 3HG2 THR 6 HG22 THR 6 7.036 -3.190 -3.190 42 H CYS 7 HN CYS 7 3.613 -3.172 -3.172 43 HA CYS 7 HA CYS 7 3.731 -4.600 -4.600 44 1HB CYS 7 HB2 CYS 7 2.260 -2.068 -2.068 45 2HB CYS 7 HB1 CYS 7 2.232 -2.807 -2.807 46 H THR 8 HN THR 8 5.955 -3.133 -3.133 47 HA THR 8 HA THR 8 6.576 -0.869 -0.869 48 HB THR 8 HB THR 8 7.197 -0.741 -0.741 49 HG1 THR 8 HG1 THR 8 9.463 -0.382 -0.382 50 1HG2 THR 8 HG21 THR 8 7.546 -3.369 -3.369 51 2HG2 THR 8 HG23 THR 8 9.220 -2.924 -2.924 52 3HG2 THR 8 HG22 THR 8 8.424 -2.344 -2.344 53 H VAL 9 HN VAL 9 6.903 -1.693 -1.693 54 HA VAL 9 HA VAL 9 9.231 -3.520 -3.520 55 HB VAL 9 HB VAL 9 6.851 -3.295 -3.295 56 1HG1 VAL 9 HG13 VAL 9 9.450 -4.755 -4.755 57 2HG1 VAL 9 HG12 VAL 9 8.032 -5.642 -5.642 58 3HG1 VAL 9 HG11 VAL 9 8.495 -4.132 -4.132 59 1HG2 VAL 9 HG22 VAL 9 6.339 -4.314 -4.314 60 2HG2 VAL 9 HG21 VAL 9 6.131 -5.430 -5.430 61 3HG2 VAL 9 HG23 VAL 9 7.568 -5.535 -5.535 62 H ALA 10 HN ALA 10 10.609 -3.085 -3.085 63 HA ALA 10 HA ALA 10 10.793 -0.242 -0.242 64 1HB ALA 10 HB3 ALA 10 12.414 -2.612 -2.612 65 2HB ALA 10 HB2 ALA 10 12.796 -0.930 -0.930 66 3HB ALA 10 HB1 ALA 10 12.848 -1.497 -1.497 67 HA PRO 11 HA PRO 11 8.219 0.261 0.261 68 1HB PRO 11 HB2 PRO 11 10.559 1.394 1.394 69 2HB PRO 11 HB1 PRO 11 9.015 2.157 2.157 70 1HG PRO 11 HG2 PRO 11 11.522 2.384 2.384 71 2HG PRO 11 HG1 PRO 11 9.985 3.176 3.176 72 1HD PRO 11 HD2 PRO 11 11.202 1.255 1.255 73 2HD PRO 11 HD1 PRO 11 9.477 1.668 1.668 74 H ARG 12 HN ARG 12 11.537 -1.025 -1.025 75 HA ARG 12 HA ARG 12 11.010 -2.190 -2.190 76 1HB ARG 12 HB2 ARG 12 13.216 -2.389 -2.389 77 2HB ARG 12 HB1 ARG 12 13.158 -3.521 -3.521 78 1HG ARG 12 HG2 ARG 12 13.458 -1.840 -1.840 79 2HG ARG 12 HG1 ARG 12 12.880 -0.573 -0.573 80 1HD ARG 12 HD2 ARG 12 15.126 -0.145 -0.145 81 2HD ARG 12 HD1 ARG 12 15.015 -1.403 -1.403 82 HE ARG 12 HE ARG 12 15.524 -2.415 -2.415 83 1HH1 ARG 12 HH11 ARG 12 16.894 -1.171 -1.171 84 2HH1 ARG 12 HH12 ARG 12 18.432 -1.932 -1.932 85 1HH2 ARG 12 HH21 ARG 12 17.547 -3.402 -3.402 86 2HH2 ARG 12 HH22 ARG 12 18.799 -3.188 -3.188 87 H GLU 13 HN GLU 13 11.324 -3.541 -3.541 88 HA GLU 13 HA GLU 13 10.440 -6.153 -6.153 89 1HB GLU 13 HB2 GLU 13 11.161 -4.952 -4.952 90 2HB GLU 13 HB1 GLU 13 10.399 -6.540 -6.540 91 1HG GLU 13 HG2 GLU 13 12.720 -6.029 -6.029 92 2HG GLU 13 HG1 GLU 13 13.062 -6.246 -6.246 93 H ARG 14 HN ARG 14 8.617 -3.762 -3.762 94 HA ARG 14 HA ARG 14 6.423 -4.526 -4.526 95 1HB ARG 14 HB2 ARG 14 7.036 -2.108 -2.108 96 2HB ARG 14 HB1 ARG 14 5.358 -2.462 -2.462 97 1HG ARG 14 HG2 ARG 14 6.218 -2.716 -2.716 98 2HG ARG 14 HG1 ARG 14 7.665 -1.886 -1.886 99 1HD ARG 14 HD2 ARG 14 5.904 -0.184 -0.184 100 2HD ARG 14 HD1 ARG 14 4.863 -0.855 -0.855 101 HE ARG 14 HE ARG 14 7.302 -0.234 -0.234 102 1HH1 ARG 14 HH11 ARG 14 4.719 1.399 1.399 103 2HH1 ARG 14 HH12 ARG 14 4.928 2.889 2.889 104 1HH2 ARG 14 HH21 ARG 14 7.559 1.729 1.729 105 2HH2 ARG 14 HH22 ARG 14 6.530 3.075 3.075 106 H GLN 15 HN GLN 15 4.409 -5.262 -5.262 107 HA GLN 15 HA GLN 15 4.459 -5.982 -5.982 108 1HB GLN 15 HB2 GLN 15 3.108 -7.491 -7.491 109 2HB GLN 15 HB1 GLN 15 3.201 -7.988 -7.988 110 1HG GLN 15 HG2 GLN 15 5.822 -7.667 -7.667 111 2HG GLN 15 HG1 GLN 15 5.305 -8.040 -8.040 112 1HE2 GLN 15 HE22 GLN 15 5.958 -11.180 -11.180 113 2HE2 GLN 15 HE21 GLN 15 6.847 -9.738 -9.738 114 H ASN 16 HN ASN 16 2.350 -5.937 -5.937 115 HA ASN 16 HA ASN 16 0.664 -3.796 -3.796 116 1HB ASN 16 HB2 ASN 16 1.297 -4.353 -4.353 117 2HB ASN 16 HB1 ASN 16 0.000 -5.542 -5.542 118 1HD2 ASN 16 HD22 ASN 16 -0.942 -1.544 -1.544 119 2HD2 ASN 16 HD21 ASN 16 0.648 -2.035 -2.035 120 H CYS 17 HN CYS 17 -1.107 -4.109 -4.109 121 HA CYS 17 HA CYS 17 -2.070 -6.873 -6.873 122 1HB CYS 17 HB2 CYS 17 -1.424 -5.097 -5.097 123 2HB CYS 17 HB1 CYS 17 -3.090 -4.585 -4.585 124 H GLY 18 HN GLY 18 -2.968 -3.768 -3.768 125 1HA GLY 18 HA2 GLY 18 -5.292 -4.889 -4.889 126 2HA GLY 18 HA1 GLY 18 -5.723 -3.773 -3.773 127 H PHE 19 HN PHE 19 -6.588 -2.810 -2.810 128 HA PHE 19 HA PHE 19 -4.640 -1.444 -1.444 129 1HB PHE 19 HB2 PHE 19 -6.668 -0.082 -0.082 130 2HB PHE 19 HB1 PHE 19 -6.737 -1.819 -1.819 131 HD1 PHE 19 HD2 PHE 19 -8.036 -3.283 -3.283 132 HD2 PHE 19 HD1 PHE 19 -8.292 1.008 1.008 133 HE1 PHE 19 HE2 PHE 19 -10.163 -3.415 -3.415 134 HE2 PHE 19 HE1 PHE 19 -10.427 0.870 0.870 135 HZ PHE 19 HZ PHE 19 -11.359 -1.340 -1.340 136 HA PRO 20 HA PRO 20 -3.942 2.186 2.186 137 1HB PRO 20 HB2 PRO 20 -3.726 4.097 4.097 138 2HB PRO 20 HB1 PRO 20 -2.447 2.995 2.995 139 1HG PRO 20 HG2 PRO 20 -3.846 3.024 3.024 140 2HG PRO 20 HG1 PRO 20 -2.550 1.937 1.937 141 1HD PRO 20 HD2 PRO 20 -5.440 1.444 1.444 142 2HD PRO 20 HD1 PRO 20 -4.106 0.283 0.283 143 H GLY 21 HN GLY 21 -6.594 2.462 2.462 144 1HA GLY 21 HA2 GLY 21 -7.682 4.925 4.925 145 2HA GLY 21 HA1 GLY 21 -8.625 3.567 3.567 146 H VAL 22 HN VAL 22 -7.388 2.025 2.025 147 HA VAL 22 HA VAL 22 -9.681 2.252 2.252 148 HB VAL 22 HB VAL 22 -8.301 0.965 0.965 149 1HG1 VAL 22 HG13 VAL 22 -9.532 -0.063 -0.063 150 2HG1 VAL 22 HG12 VAL 22 -7.962 -0.143 -0.143 151 3HG1 VAL 22 HG11 VAL 22 -8.235 -1.033 -1.033 152 1HG2 VAL 22 HG21 VAL 22 -6.168 1.638 1.638 153 2HG2 VAL 22 HG23 VAL 22 -6.101 1.755 1.755 154 3HG2 VAL 22 HG22 VAL 22 -6.043 0.175 0.175 155 H THR 23 HN THR 23 -9.881 3.221 3.221 156 HA THR 23 HA THR 23 -8.120 5.566 5.566 157 HB THR 23 HB THR 23 -9.884 6.445 6.445 158 HG1 THR 23 HG1 THR 23 -11.775 4.618 4.618 159 1HG2 THR 23 HG23 THR 23 -10.021 6.441 6.441 160 2HG2 THR 23 HG22 THR 23 -11.337 5.292 5.292 161 3HG2 THR 23 HG21 THR 23 -11.443 6.914 6.914 162 HA PRO 24 HA PRO 24 -5.672 4.398 4.398 163 1HB PRO 24 HB2 PRO 24 -7.243 6.127 6.127 164 2HB PRO 24 HB1 PRO 24 -5.530 6.210 6.210 165 1HG PRO 24 HG2 PRO 24 -7.704 7.750 7.750 166 2HG PRO 24 HG1 PRO 24 -5.981 7.865 7.865 167 1HD PRO 24 HD2 PRO 24 -7.924 7.002 7.002 168 2HD PRO 24 HD1 PRO 24 -6.200 6.599 6.599 169 H SER 25 HN SER 25 -9.072 4.920 4.920 170 HA SER 25 HA SER 25 -8.839 2.721 2.721 171 1HB SER 25 HB2 SER 25 -11.167 4.459 4.459 172 2HB SER 25 HB1 SER 25 -11.273 3.217 3.217 173 HG SER 25 HG SER 25 -10.556 5.658 5.658 174 H GLN 26 HN GLN 26 -10.077 3.161 3.161 175 HA GLN 26 HA GLN 26 -11.809 0.930 0.930 176 1HB GLN 26 HB2 GLN 26 -10.345 2.608 2.608 177 2HB GLN 26 HB1 GLN 26 -10.885 1.027 1.027 178 1HG GLN 26 HG2 GLN 26 -13.178 1.571 1.571 179 2HG GLN 26 HG1 GLN 26 -12.606 3.201 3.201 180 1HE2 GLN 26 HE22 GLN 26 -12.623 2.145 2.145 181 2HE2 GLN 26 HE21 GLN 26 -12.116 1.006 1.006 182 H CYS 27 HN CYS 27 -8.353 1.160 1.160 183 HA CYS 27 HA CYS 27 -8.200 -1.701 -1.701 184 1HB CYS 27 HB2 CYS 27 -6.745 0.471 0.471 185 2HB CYS 27 HB1 CYS 27 -5.654 -0.250 -0.250 186 H ALA 28 HN ALA 28 -7.540 0.559 0.559 187 HA ALA 28 HA ALA 28 -5.961 -1.363 -1.363 188 1HB ALA 28 HB3 ALA 28 -5.583 1.061 1.061 189 2HB ALA 28 HB2 ALA 28 -7.228 1.255 1.255 190 3HB ALA 28 HB1 ALA 28 -6.048 0.333 0.333 191 H ASN 29 HN ASN 29 -9.255 -1.081 -1.081 192 HA ASN 29 HA ASN 29 -10.014 -2.221 -2.221 193 1HB ASN 29 HB2 ASN 29 -11.268 -0.211 -0.211 194 2HB ASN 29 HB1 ASN 29 -11.785 -1.100 -1.100 195 1HD2 ASN 29 HD22 ASN 29 -14.633 -1.915 -1.915 196 2HD2 ASN 29 HD21 ASN 29 -14.056 -0.946 -0.946 197 H LYS 30 HN LYS 30 -9.162 -3.196 -3.196 198 HA LYS 30 HA LYS 30 -11.097 -5.394 -5.394 199 1HB LYS 30 HB2 LYS 30 -9.572 -3.948 -3.948 200 2HB LYS 30 HB1 LYS 30 -8.890 -5.573 -5.573 201 1HG LYS 30 HG2 LYS 30 -11.146 -6.522 -6.522 202 2HG LYS 30 HG1 LYS 30 -11.826 -4.896 -4.896 203 1HD LYS 30 HD2 LYS 30 -10.292 -4.359 -4.359 204 2HD LYS 30 HD1 LYS 30 -9.885 -6.075 -6.075 205 1HE LYS 30 HE2 LYS 30 -12.603 -6.215 -6.215 206 2HE LYS 30 HE1 LYS 30 -12.377 -4.692 -4.692 207 1HZ LYS 30 HZ1 LYS 30 -10.998 -7.201 -7.201 208 2HZ LYS 30 HZ3 LYS 30 -12.431 -6.675 -6.675 209 3HZ LYS 30 HZ2 LYS 30 -11.012 -5.751 -5.751 210 H GLY 31 HN GLY 31 -7.553 -4.931 -4.931 211 1HA GLY 31 HA2 GLY 31 -6.940 -6.645 -6.645 212 2HA GLY 31 HA1 GLY 31 -7.229 -7.773 -7.773 213 H CYS 32 HN CYS 32 -6.001 -4.652 -4.652 214 HA CYS 32 HA CYS 32 -3.307 -5.852 -5.852 215 1HB CYS 32 HB2 CYS 32 -4.792 -3.858 -3.858 216 2HB CYS 32 HB1 CYS 32 -3.116 -4.350 -4.350 217 H CYS 33 HN CYS 33 -1.500 -4.449 -4.449 218 HA CYS 33 HA CYS 33 -2.032 -2.388 -2.388 219 1HB CYS 33 HB2 CYS 33 0.589 -3.088 -3.088 220 2HB CYS 33 HB1 CYS 33 0.385 -2.186 -2.186 221 H PHE 34 HN PHE 34 -2.677 -0.366 -0.366 222 HA PHE 34 HA PHE 34 -2.051 0.578 0.578 223 1HB PHE 34 HB2 PHE 34 -4.333 0.852 0.852 224 2HB PHE 34 HB1 PHE 34 -3.629 1.938 1.938 225 HD1 PHE 34 HD1 PHE 34 -2.624 4.101 4.101 226 HD2 PHE 34 HD2 PHE 34 -4.669 1.550 1.550 227 HE1 PHE 34 HE1 PHE 34 -2.786 5.986 5.986 228 HE2 PHE 34 HE2 PHE 34 -4.830 3.435 3.435 229 HZ PHE 34 HZ PHE 34 -3.891 5.652 5.652 230 H ASP 35 HN ASP 35 -0.941 2.602 2.602 231 HA ASP 35 HA ASP 35 0.256 4.071 4.071 232 1HB ASP 35 HB2 ASP 35 1.699 2.025 2.025 233 2HB ASP 35 HB1 ASP 35 2.095 2.413 2.413 234 H ASP 36 HN ASP 36 0.167 6.133 6.133 235 HA ASP 36 HA ASP 36 0.730 6.497 6.497 236 1HB ASP 36 HB2 ASP 36 -0.790 8.475 8.475 237 2HB ASP 36 HB1 ASP 36 -1.619 6.955 6.955 238 H THR 37 HN THR 37 2.924 6.507 6.507 239 HA THR 37 HA THR 37 3.418 9.323 9.323 240 HB THR 37 HB THR 37 5.647 8.145 8.145 241 HG1 THR 37 HG1 THR 37 4.263 6.136 6.136 242 1HG2 THR 37 HG21 THR 37 2.922 8.282 8.282 243 2HG2 THR 37 HG23 THR 37 4.139 7.343 7.343 244 3HG2 THR 37 HG22 THR 37 4.420 9.050 9.050 245 H VAL 38 HN VAL 38 4.048 7.053 7.053 246 HA VAL 38 HA VAL 38 6.076 8.920 8.920 247 HB VAL 38 HB VAL 38 6.084 5.904 5.904 248 1HG1 VAL 38 HG13 VAL 38 7.713 8.168 8.168 249 2HG1 VAL 38 HG12 VAL 38 8.536 6.654 6.654 250 3HG1 VAL 38 HG11 VAL 38 7.211 6.674 6.674 251 1HG2 VAL 38 HG22 VAL 38 7.520 7.774 7.774 252 2HG2 VAL 38 HG21 VAL 38 6.751 6.227 6.227 253 3HG2 VAL 38 HG23 VAL 38 8.288 6.271 6.271 254 H ARG 39 HN ARG 39 6.170 8.864 8.864 255 HA ARG 39 HA ARG 39 3.505 8.188 8.188 256 1HB ARG 39 HB2 ARG 39 5.511 10.342 10.342 257 2HB ARG 39 HB1 ARG 39 4.180 9.909 9.909 258 1HG ARG 39 HG2 ARG 39 2.602 10.314 10.314 259 2HG ARG 39 HG1 ARG 39 3.972 10.949 10.949 260 1HD ARG 39 HD2 ARG 39 4.351 12.651 12.651 261 2HD ARG 39 HD1 ARG 39 2.989 12.016 12.016 262 HE ARG 39 HE ARG 39 1.512 12.944 12.944 263 1HH1 ARG 39 HH21 ARG 39 4.868 13.343 13.343 264 2HH1 ARG 39 HH22 ARG 39 4.547 14.514 14.514 265 1HH2 ARG 39 HH11 ARG 39 1.115 14.480 14.480 266 2HH2 ARG 39 HH12 ARG 39 2.431 15.155 15.155 267 H GLY 40 HN GLY 40 3.610 7.624 7.624 268 1HA GLY 40 HA2 GLY 40 4.572 6.479 6.479 269 2HA GLY 40 HA1 GLY 40 6.132 6.569 6.569 270 H VAL 41 HN VAL 41 5.424 5.387 5.387 271 HA VAL 41 HA VAL 41 5.395 2.589 2.589 272 HB VAL 41 HB VAL 41 5.667 2.218 2.218 273 1HG1 VAL 41 HG11 VAL 41 7.438 4.066 4.066 274 2HG1 VAL 41 HG13 VAL 41 7.827 3.734 3.734 275 3HG1 VAL 41 HG12 VAL 41 7.741 2.410 2.410 276 1HG2 VAL 41 HG22 VAL 41 4.317 4.220 4.220 277 2HG2 VAL 41 HG21 VAL 41 5.888 4.143 4.143 278 3HG2 VAL 41 HG23 VAL 41 5.639 5.249 5.249 279 HA PRO 42 HA PRO 42 1.110 1.825 1.825 280 1HB PRO 42 HB2 PRO 42 1.330 -0.742 -0.742 281 2HB PRO 42 HB1 PRO 42 1.295 -0.344 -0.344 282 1HG PRO 42 HG2 PRO 42 3.469 -1.402 -1.402 283 2HG PRO 42 HG1 PRO 42 3.434 -0.982 -0.982 284 1HD PRO 42 HD2 PRO 42 4.550 0.536 0.536 285 2HD PRO 42 HD1 PRO 42 4.900 0.677 0.677 286 H TRP 43 HN TRP 43 -0.154 2.565 2.565 287 HA TRP 43 HA TRP 43 0.960 2.779 2.779 288 1HB TRP 43 HB2 TRP 43 -1.875 3.282 3.282 289 2HB TRP 43 HB1 TRP 43 -1.183 3.821 3.821 290 HD1 TRP 43 HD1 TRP 43 1.691 4.640 4.640 291 HE1 TRP 43 HE1 TRP 43 1.743 6.888 6.888 292 HE3 TRP 43 HE3 TRP 43 -3.315 5.388 5.388 293 HZ2 TRP 43 HZ2 TRP 43 -0.092 8.758 8.758 294 HZ3 TRP 43 HZ3 TRP 43 -4.135 7.410 7.410 295 HH2 TRP 43 HH2 TRP 43 -2.530 9.095 9.095 296 H CYS 44 HN CYS 44 -1.476 0.691 0.691 297 HA CYS 44 HA CYS 44 -1.999 -0.664 -0.664 298 1HB CYS 44 HB2 CYS 44 -3.737 -0.149 -0.149 299 2HB CYS 44 HB1 CYS 44 -3.028 -1.533 -1.533 300 H PHE 45 HN PHE 45 -0.519 -2.197 -2.197 301 HA PHE 45 HA PHE 45 0.415 -4.101 -4.101 302 1HB PHE 45 HB2 PHE 45 2.719 -3.973 -3.973 303 2HB PHE 45 HB1 PHE 45 2.190 -2.389 -2.389 304 HD1 PHE 45 HD2 PHE 45 1.022 -0.896 -0.896 305 HD2 PHE 45 HD1 PHE 45 3.774 -4.107 -4.107 306 HE1 PHE 45 HE2 PHE 45 1.538 0.057 0.057 307 HE2 PHE 45 HE1 PHE 45 4.293 -3.154 -3.154 308 HZ PHE 45 HZ PHE 45 3.174 -1.072 -1.072 309 H TYR 46 HN TYR 46 1.578 -6.021 -6.021 310 HA TYR 46 HA TYR 46 -0.212 -7.001 -7.001 311 1HB TYR 46 HB2 TYR 46 2.219 -8.109 -8.109 312 2HB TYR 46 HB1 TYR 46 1.445 -8.977 -8.977 313 HD1 TYR 46 HD2 TYR 46 1.067 -7.760 -7.760 314 HD2 TYR 46 HD1 TYR 46 -0.805 -9.902 -9.902 315 HE1 TYR 46 HE2 TYR 46 -0.657 -8.608 -8.608 316 HE2 TYR 46 HE1 TYR 46 -2.529 -10.750 -10.750 317 HH TYR 46 HH TYR 46 -2.495 -9.824 -9.824 318 HA PRO 47 HA PRO 47 2.389 -6.165 -6.165 319 1HB PRO 47 HB2 PRO 47 1.750 -8.400 -8.400 320 2HB PRO 47 HB1 PRO 47 0.765 -6.938 -6.938 321 1HG PRO 47 HG2 PRO 47 0.141 -9.553 -9.553 322 2HG PRO 47 HG1 PRO 47 -0.803 -8.071 -8.071 323 1HD PRO 47 HD2 PRO 47 1.017 -9.432 -9.432 324 2HD PRO 47 HD1 PRO 47 -0.338 -8.329 -8.329 325 H ASN 48 HN ASN 48 4.071 -7.239 -7.239 326 HA ASN 48 HA ASN 48 5.479 -9.516 -9.516 327 1HB ASN 48 HB2 ASN 48 6.430 -6.700 -6.700 328 2HB ASN 48 HB1 ASN 48 7.615 -7.920 -7.920 329 1HD2 ASN 48 HD22 ASN 48 8.114 -8.939 -8.939 330 2HD2 ASN 48 HD21 ASN 48 8.708 -8.836 -8.836 331 H THR 49 HN THR 49 5.469 -10.832 -10.832 332 HA THR 49 HA THR 49 5.689 -9.741 -9.741 333 HB THR 49 HB THR 49 5.828 -12.192 -12.192 334 HG1 THR 49 HG1 THR 49 6.699 -12.608 -12.608 335 1HG2 THR 49 HG23 THR 49 3.624 -10.896 -10.896 336 2HG2 THR 49 HG22 THR 49 3.475 -12.624 -12.624 337 3HG2 THR 49 HG21 THR 49 3.643 -11.489 -11.489 338 H ILE 50 HN ILE 50 7.761 -8.600 -8.600 339 HA ILE 50 HA ILE 50 10.128 -10.319 -10.319 340 HB ILE 50 HB ILE 50 9.964 -7.318 -7.318 341 1HG1 ILE 50 HG12 ILE 50 10.434 -8.780 -8.780 342 2HG1 ILE 50 HG11 ILE 50 8.818 -8.299 -8.299 343 1HG2 ILE 50 HG21 ILE 50 12.148 -9.288 -9.288 344 2HG2 ILE 50 HG23 ILE 50 12.258 -7.757 -7.757 345 3HG2 ILE 50 HG22 ILE 50 12.178 -7.769 -7.769 346 1HD1 ILE 50 HD11 ILE 50 11.041 -6.278 -6.278 347 2HD1 ILE 50 HD13 ILE 50 10.225 -6.669 -6.669 348 3HD1 ILE 50 HD12 ILE 50 9.304 -6.019 -6.019 349 H ASP 51 HN ASP 51 11.971 -9.877 -9.877 350 HA ASP 51 HA ASP 51 10.937 -10.354 -10.354 351 1HB ASP 51 HB2 ASP 51 13.361 -10.390 -10.390 352 2HB ASP 51 HB1 ASP 51 12.978 -11.475 -11.475 353 H VAL 52 HN VAL 52 12.325 -9.006 -9.006 354 HA VAL 52 HA VAL 52 12.390 -6.160 -6.160 355 HB VAL 52 HB VAL 52 10.917 -5.601 -5.601 356 1HG1 VAL 52 HG13 VAL 52 10.090 -5.727 -5.727 357 2HG1 VAL 52 HG12 VAL 52 9.581 -7.386 -7.386 358 3HG1 VAL 52 HG11 VAL 52 8.841 -6.052 -6.052 359 1HG2 VAL 52 HG23 VAL 52 10.876 -8.579 -8.579 360 2HG2 VAL 52 HG22 VAL 52 10.770 -7.381 -7.381 361 3HG2 VAL 52 HG21 VAL 52 9.352 -7.746 -7.746 362 HA PRO 53 HA PRO 53 16.080 -7.202 -7.202 363 1HB PRO 53 HB2 PRO 53 16.832 -4.432 -4.432 364 2HB PRO 53 HB1 PRO 53 17.581 -5.846 -5.846 365 1HG PRO 53 HG2 PRO 53 15.833 -3.868 -3.868 366 2HG PRO 53 HG1 PRO 53 16.782 -5.134 -5.134 367 1HD PRO 53 HD2 PRO 53 14.015 -5.105 -5.105 368 2HD PRO 53 HD1 PRO 53 14.999 -6.534 -6.534 369 HA PRO 54 HA PRO 54 15.033 -5.169 -5.169 370 1HB PRO 54 HB2 PRO 54 17.572 -4.706 -4.706 371 2HB PRO 54 HB1 PRO 54 16.706 -6.250 -6.250 372 1HG PRO 54 HG2 PRO 54 19.086 -5.623 -5.623 373 2HG PRO 54 HG1 PRO 54 18.174 -7.141 -7.141 374 1HD PRO 54 HD2 PRO 54 18.174 -4.936 -4.936 375 2HD PRO 54 HD1 PRO 54 17.740 -6.645 -6.645 376 H GLU 55 HN GLU 55 15.026 -3.240 -3.240 377 HA GLU 55 HA GLU 55 16.241 -0.875 -0.875 378 1HB GLU 55 HB2 GLU 55 15.395 -1.237 -1.237 379 2HB GLU 55 HB1 GLU 55 16.159 0.199 0.199 380 1HG GLU 55 HG2 GLU 55 18.208 -0.921 -0.921 381 2HG GLU 55 HG1 GLU 55 17.467 -2.511 -2.511 382 H GLU 56 HN GLU 56 14.751 0.354 0.354 383 HA GLU 56 HA GLU 56 12.012 0.479 0.479 384 1HB GLU 56 HB2 GLU 56 12.785 0.441 0.441 385 2HB GLU 56 HB1 GLU 56 11.146 0.587 0.587 386 1HG GLU 56 HG2 GLU 56 11.326 -1.618 -1.618 387 2HG GLU 56 HG1 GLU 56 12.995 -1.764 -1.764 388 H GLU 57 HN GLU 57 11.180 2.547 2.547 389 HA GLU 57 HA GLU 57 12.426 4.751 4.751 390 1HB GLU 57 HB2 GLU 57 12.306 4.666 4.666 391 2HB GLU 57 HB1 GLU 57 12.824 6.046 6.046 392 1HG GLU 57 HG2 GLU 57 14.567 4.475 4.475 393 2HG GLU 57 HG1 GLU 57 14.176 3.358 3.358 394 H SER 58 HN SER 58 10.607 5.633 5.633 395 HA SER 58 HA SER 58 8.047 5.513 5.513 396 1HB SER 58 HB2 SER 58 7.178 6.587 6.587 397 2HB SER 58 HB1 SER 58 8.274 5.293 5.293 398 HG SER 58 HG SER 58 8.426 7.935 7.935 399 H GLU 59 HN GLU 59 7.720 6.914 6.914 400 HA GLU 59 HA GLU 59 8.315 9.766 9.766 401 1HB GLU 59 HB2 GLU 59 10.080 8.457 8.457 402 2HB GLU 59 HB1 GLU 59 8.847 8.598 8.598 403 1HG GLU 59 HG2 GLU 59 8.891 10.968 10.968 404 2HG GLU 59 HG1 GLU 59 9.745 10.990 10.990 405 H PHE 60 HN PHE 60 7.166 11.145 11.145 406 HA PHE 60 HA PHE 60 4.428 10.195 10.195 407 1HB PHE 60 HB2 PHE 60 5.845 12.754 12.754 408 2HB PHE 60 HB1 PHE 60 4.161 12.464 12.464 409 HD1 PHE 60 HD1 PHE 60 2.646 11.542 11.542 410 HD2 PHE 60 HD2 PHE 60 6.281 13.774 13.774 411 HE1 PHE 60 HE1 PHE 60 1.932 12.193 12.193 412 HE2 PHE 60 HE2 PHE 60 5.568 14.425 14.425 413 HZ PHE 60 HZ PHE 60 3.393 13.634 13.634 Start of MODEL 18 1 1H GLU 1 HT1 GLU 1 15.334 -7.790 -7.790 2 2H GLU 1 HT3 GLU 1 15.503 -8.353 -8.353 3 3H GLU 1 HT2 GLU 1 16.351 -9.110 -9.110 4 HA GLU 1 HA GLU 1 14.421 -10.004 -10.004 5 1HB GLU 1 HB2 GLU 1 15.393 -10.960 -10.960 6 2HB GLU 1 HB1 GLU 1 13.968 -10.250 -10.250 7 1HG GLU 1 HG2 GLU 1 12.620 -11.473 -11.473 8 2HG GLU 1 HG1 GLU 1 14.090 -12.415 -12.415 9 H ALA 2 HN ALA 2 13.096 -8.250 -8.250 10 HA ALA 2 HA ALA 2 10.958 -7.374 -7.374 11 1HB ALA 2 HB3 ALA 2 12.328 -6.026 -6.026 12 2HB ALA 2 HB2 ALA 2 10.673 -5.576 -5.576 13 3HB ALA 2 HB1 ALA 2 11.964 -5.389 -5.389 14 H GLN 3 HN GLN 3 8.816 -7.758 -7.758 15 HA GLN 3 HA GLN 3 8.422 -9.111 -9.111 16 1HB GLN 3 HB2 GLN 3 7.057 -9.679 -9.679 17 2HB GLN 3 HB1 GLN 3 6.650 -10.445 -10.445 18 1HG GLN 3 HG2 GLN 3 8.131 -12.018 -12.018 19 2HG GLN 3 HG1 GLN 3 9.275 -10.950 -10.950 20 1HE2 GLN 3 HE22 GLN 3 9.254 -11.157 -11.157 21 2HE2 GLN 3 HE21 GLN 3 8.040 -11.926 -11.926 22 H THR 4 HN THR 4 7.368 -7.605 -7.605 23 HA THR 4 HA THR 4 4.815 -6.571 -6.571 24 HB THR 4 HB THR 4 5.469 -4.212 -4.212 25 HG1 THR 4 HG1 THR 4 7.891 -4.016 -4.016 26 1HG2 THR 4 HG22 THR 4 5.409 -5.126 -5.126 27 2HG2 THR 4 HG21 THR 4 7.153 -5.359 -5.359 28 3HG2 THR 4 HG23 THR 4 6.470 -3.737 -3.737 29 H GLU 5 HN GLU 5 3.594 -5.503 -5.503 30 HA GLU 5 HA GLU 5 3.898 -6.957 -6.957 31 1HB GLU 5 HB2 GLU 5 2.276 -4.471 -4.471 32 2HB GLU 5 HB1 GLU 5 2.108 -5.442 -5.442 33 1HG GLU 5 HG2 GLU 5 1.315 -7.327 -7.327 34 2HG GLU 5 HG1 GLU 5 1.843 -6.654 -6.654 35 H THR 6 HN THR 6 4.397 -6.008 -6.008 36 HA THR 6 HA THR 6 5.802 -3.433 -3.433 37 HB THR 6 HB THR 6 7.194 -5.882 -5.882 38 HG1 THR 6 HG1 THR 6 8.306 -4.914 -4.914 39 1HG2 THR 6 HG22 THR 6 7.946 -3.021 -3.021 40 2HG2 THR 6 HG21 THR 6 9.171 -4.278 -4.278 41 3HG2 THR 6 HG23 THR 6 8.091 -3.902 -3.902 42 H CYS 7 HN CYS 7 4.920 -2.359 -2.359 43 HA CYS 7 HA CYS 7 4.160 -3.947 -3.947 44 1HB CYS 7 HB2 CYS 7 3.200 -1.252 -1.252 45 2HB CYS 7 HB1 CYS 7 2.751 -1.932 -1.932 46 H THR 8 HN THR 8 6.343 -1.533 -1.533 47 HA THR 8 HA THR 8 6.885 -0.192 -0.192 48 HB THR 8 HB THR 8 7.547 0.849 0.849 49 HG1 THR 8 HG1 THR 8 9.853 -0.085 -0.085 50 1HG2 THR 8 HG23 THR 8 8.199 -1.737 -1.737 51 2HG2 THR 8 HG22 THR 8 9.765 -0.937 -0.937 52 3HG2 THR 8 HG21 THR 8 8.519 -0.260 -0.260 53 H VAL 9 HN VAL 9 7.377 -1.536 -1.536 54 HA VAL 9 HA VAL 9 9.691 -3.360 -3.360 55 HB VAL 9 HB VAL 9 7.390 -3.688 -3.688 56 1HG1 VAL 9 HG13 VAL 9 9.862 -5.281 -5.281 57 2HG1 VAL 9 HG12 VAL 9 8.435 -6.069 -6.069 58 3HG1 VAL 9 HG11 VAL 9 9.255 -4.796 -4.796 59 1HG2 VAL 9 HG21 VAL 9 6.722 -3.988 -3.988 60 2HG2 VAL 9 HG23 VAL 9 6.623 -5.483 -5.483 61 3HG2 VAL 9 HG22 VAL 9 7.981 -5.214 -5.214 62 H ALA 10 HN ALA 10 10.807 -3.774 -3.774 63 HA ALA 10 HA ALA 10 11.645 -1.253 -1.253 64 1HB ALA 10 HB1 ALA 10 12.202 -4.114 -4.114 65 2HB ALA 10 HB3 ALA 10 12.551 -2.967 -2.967 66 3HB ALA 10 HB2 ALA 10 13.325 -2.784 -2.784 67 HA PRO 11 HA PRO 11 8.323 -0.094 -0.094 68 1HB PRO 11 HB2 PRO 11 10.437 0.588 0.588 69 2HB PRO 11 HB1 PRO 11 9.223 1.630 1.630 70 1HG PRO 11 HG2 PRO 11 11.973 1.342 1.342 71 2HG PRO 11 HG1 PRO 11 10.753 2.373 2.373 72 1HD PRO 11 HD2 PRO 11 11.969 0.168 0.168 73 2HD PRO 11 HD1 PRO 11 10.460 0.929 0.929 74 H ARG 12 HN ARG 12 11.182 -1.696 -1.696 75 HA ARG 12 HA ARG 12 9.644 -2.810 -2.810 76 1HB ARG 12 HB2 ARG 12 12.331 -3.711 -3.711 77 2HB ARG 12 HB1 ARG 12 11.665 -4.070 -4.070 78 1HG ARG 12 HG2 ARG 12 12.910 -2.237 -2.237 79 2HG ARG 12 HG1 ARG 12 11.473 -1.377 -1.377 80 1HD ARG 12 HD2 ARG 12 12.473 -0.676 -0.676 81 2HD ARG 12 HD1 ARG 12 13.510 -2.098 -2.098 82 HE ARG 12 HE ARG 12 15.118 -0.920 -0.920 83 1HH1 ARG 12 HH11 ARG 12 11.974 0.514 0.514 84 2HH1 ARG 12 HH12 ARG 12 12.577 1.860 1.860 85 1HH2 ARG 12 HH21 ARG 12 15.887 0.853 0.853 86 2HH2 ARG 12 HH22 ARG 12 14.784 2.049 2.049 87 H GLU 13 HN GLU 13 10.765 -4.053 -4.053 88 HA GLU 13 HA GLU 13 9.653 -6.687 -6.687 89 1HB GLU 13 HB2 GLU 13 10.680 -5.445 -5.445 90 2HB GLU 13 HB1 GLU 13 10.328 -7.155 -7.155 91 1HG GLU 13 HG2 GLU 13 11.982 -6.778 -6.778 92 2HG GLU 13 HG1 GLU 13 12.607 -5.520 -5.520 93 H ARG 14 HN ARG 14 7.828 -4.301 -4.301 94 HA ARG 14 HA ARG 14 6.080 -4.838 -4.838 95 1HB ARG 14 HB2 ARG 14 6.206 -2.616 -2.616 96 2HB ARG 14 HB1 ARG 14 4.799 -2.840 -2.840 97 1HG ARG 14 HG2 ARG 14 6.680 -2.956 -2.956 98 2HG ARG 14 HG1 ARG 14 7.568 -1.985 -1.985 99 1HD ARG 14 HD2 ARG 14 5.788 -0.334 -0.334 100 2HD ARG 14 HD1 ARG 14 4.772 -1.337 -1.337 101 HE ARG 14 HE ARG 14 7.057 -0.961 -0.961 102 1HH1 ARG 14 HH11 ARG 14 4.783 1.123 1.123 103 2HH1 ARG 14 HH12 ARG 14 4.994 2.435 2.435 104 1HH2 ARG 14 HH21 ARG 14 7.318 0.772 0.772 105 2HH2 ARG 14 HH22 ARG 14 6.422 2.237 2.237 106 H GLN 15 HN GLN 15 4.445 -6.294 -6.294 107 HA GLN 15 HA GLN 15 3.779 -7.190 -7.190 108 1HB GLN 15 HB2 GLN 15 2.498 -7.875 -7.875 109 2HB GLN 15 HB1 GLN 15 2.277 -8.747 -8.747 110 1HG GLN 15 HG2 GLN 15 4.951 -8.376 -8.376 111 2HG GLN 15 HG1 GLN 15 3.958 -9.827 -9.827 112 1HE2 GLN 15 HE22 GLN 15 6.466 -9.732 -9.732 113 2HE2 GLN 15 HE21 GLN 15 6.662 -8.985 -8.985 114 H ASN 16 HN ASN 16 2.287 -6.191 -6.191 115 HA ASN 16 HA ASN 16 0.730 -4.000 -4.000 116 1HB ASN 16 HB2 ASN 16 1.469 -4.722 -4.722 117 2HB ASN 16 HB1 ASN 16 -0.038 -5.638 -5.638 118 1HD2 ASN 16 HD22 ASN 16 -1.309 -2.529 -2.529 119 2HD2 ASN 16 HD21 ASN 16 -0.684 -4.034 -4.034 120 H CYS 17 HN CYS 17 -1.091 -4.039 -4.039 121 HA CYS 17 HA CYS 17 -2.570 -6.571 -6.571 122 1HB CYS 17 HB2 CYS 17 -1.900 -5.280 -5.280 123 2HB CYS 17 HB1 CYS 17 -2.906 -3.943 -3.943 124 H GLY 18 HN GLY 18 -2.772 -3.471 -3.471 125 1HA GLY 18 HA2 GLY 18 -5.029 -4.170 -4.170 126 2HA GLY 18 HA1 GLY 18 -5.569 -3.159 -3.159 127 H PHE 19 HN PHE 19 -5.998 -1.971 -1.971 128 HA PHE 19 HA PHE 19 -3.784 -0.580 -0.580 129 1HB PHE 19 HB2 PHE 19 -5.607 0.990 0.990 130 2HB PHE 19 HB1 PHE 19 -5.738 -0.703 -0.703 131 HD1 PHE 19 HD2 PHE 19 -7.336 -2.212 -2.212 132 HD2 PHE 19 HD1 PHE 19 -7.321 2.055 2.055 133 HE1 PHE 19 HE2 PHE 19 -9.614 -2.317 -2.317 134 HE2 PHE 19 HE1 PHE 19 -9.607 1.947 1.947 135 HZ PHE 19 HZ PHE 19 -10.748 -0.238 -0.238 136 HA PRO 20 HA PRO 20 -3.230 2.749 2.749 137 1HB PRO 20 HB2 PRO 20 -2.666 4.840 4.840 138 2HB PRO 20 HB1 PRO 20 -1.516 3.620 3.620 139 1HG PRO 20 HG2 PRO 20 -2.568 3.976 3.976 140 2HG PRO 20 HG1 PRO 20 -1.400 2.772 2.772 141 1HD PRO 20 HD2 PRO 20 -4.262 2.453 2.453 142 2HD PRO 20 HD1 PRO 20 -3.011 1.210 1.210 143 H GLY 21 HN GLY 21 -5.513 3.434 3.434 144 1HA GLY 21 HA2 GLY 21 -6.598 5.846 5.846 145 2HA GLY 21 HA1 GLY 21 -7.471 4.668 4.668 146 H VAL 22 HN VAL 22 -6.621 2.766 2.766 147 HA VAL 22 HA VAL 22 -9.180 2.712 2.712 148 HB VAL 22 HB VAL 22 -8.062 1.326 1.326 149 1HG1 VAL 22 HG13 VAL 22 -8.823 0.401 0.401 150 2HG1 VAL 22 HG12 VAL 22 -7.172 0.605 0.605 151 3HG1 VAL 22 HG11 VAL 22 -7.504 -0.503 -0.503 152 1HG2 VAL 22 HG23 VAL 22 -5.639 2.384 2.384 153 2HG2 VAL 22 HG22 VAL 22 -5.913 2.182 2.182 154 3HG2 VAL 22 HG21 VAL 22 -5.582 0.776 0.776 155 H THR 23 HN THR 23 -9.060 2.814 2.814 156 HA THR 23 HA THR 23 -7.771 5.347 5.347 157 HB THR 23 HB THR 23 -10.032 5.935 5.935 158 HG1 THR 23 HG1 THR 23 -11.770 4.932 4.932 159 1HG2 THR 23 HG23 THR 23 -9.622 6.065 6.065 160 2HG2 THR 23 HG22 THR 23 -10.845 6.993 6.993 161 3HG2 THR 23 HG21 THR 23 -9.134 7.271 7.271 162 HA PRO 24 HA PRO 24 -6.615 3.633 3.633 163 1HB PRO 24 HB2 PRO 24 -8.414 5.443 5.443 164 2HB PRO 24 HB1 PRO 24 -6.647 5.357 5.357 165 1HG PRO 24 HG2 PRO 24 -8.337 7.183 7.183 166 2HG PRO 24 HG1 PRO 24 -6.571 7.167 7.167 167 1HD PRO 24 HD2 PRO 24 -7.974 6.625 6.625 168 2HD PRO 24 HD1 PRO 24 -6.323 6.060 6.060 169 H SER 25 HN SER 25 -10.110 4.294 4.294 170 HA SER 25 HA SER 25 -10.951 2.420 2.420 171 1HB SER 25 HB2 SER 25 -12.295 4.390 4.390 172 2HB SER 25 HB1 SER 25 -12.586 3.405 3.405 173 HG SER 25 HG SER 25 -13.165 2.647 2.647 174 H GLN 26 HN GLN 26 -10.800 2.321 2.321 175 HA GLN 26 HA GLN 26 -11.802 -0.310 -0.310 176 1HB GLN 26 HB2 GLN 26 -10.098 1.499 1.499 177 2HB GLN 26 HB1 GLN 26 -10.319 -0.182 -0.182 178 1HG GLN 26 HG2 GLN 26 -12.828 0.209 0.209 179 2HG GLN 26 HG1 GLN 26 -12.450 1.929 1.929 180 1HE2 GLN 26 HE22 GLN 26 -13.037 0.805 0.805 181 2HE2 GLN 26 HE21 GLN 26 -13.906 0.455 0.455 182 H CYS 27 HN CYS 27 -8.439 0.909 0.909 183 HA CYS 27 HA CYS 27 -7.197 -1.641 -1.641 184 1HB CYS 27 HB2 CYS 27 -6.130 0.710 0.710 185 2HB CYS 27 HB1 CYS 27 -6.119 0.653 0.653 186 H ALA 28 HN ALA 28 -8.657 0.139 0.139 187 HA ALA 28 HA ALA 28 -7.683 -1.789 -1.789 188 1HB ALA 28 HB2 ALA 28 -8.128 0.745 0.745 189 2HB ALA 28 HB1 ALA 28 -9.824 0.273 0.273 190 3HB ALA 28 HB3 ALA 28 -8.643 -0.378 -0.378 191 H ASN 29 HN ASN 29 -10.143 -1.798 -1.798 192 HA ASN 29 HA ASN 29 -12.148 -3.117 -3.117 193 1HB ASN 29 HB2 ASN 29 -12.544 -1.569 -1.569 194 2HB ASN 29 HB1 ASN 29 -12.208 -3.025 -3.025 195 1HD2 ASN 29 HD22 ASN 29 -15.898 -2.804 -2.804 196 2HD2 ASN 29 HD21 ASN 29 -14.824 -1.692 -1.692 197 H LYS 30 HN LYS 30 -9.465 -3.991 -3.991 198 HA LYS 30 HA LYS 30 -10.385 -6.796 -6.796 199 1HB LYS 30 HB2 LYS 30 -9.613 -5.713 -5.713 200 2HB LYS 30 HB1 LYS 30 -8.019 -5.515 -5.515 201 1HG LYS 30 HG2 LYS 30 -7.703 -7.541 -7.541 202 2HG LYS 30 HG1 LYS 30 -8.315 -8.116 -8.116 203 1HD LYS 30 HD2 LYS 30 -9.768 -9.259 -9.259 204 2HD LYS 30 HD1 LYS 30 -10.662 -7.742 -7.742 205 1HE LYS 30 HE2 LYS 30 -10.594 -7.944 -7.944 206 2HE LYS 30 HE1 LYS 30 -9.070 -7.094 -7.094 207 1HZ LYS 30 HZ3 LYS 30 -9.184 -10.016 -10.016 208 2HZ LYS 30 HZ2 LYS 30 -9.105 -9.206 -9.206 209 3HZ LYS 30 HZ1 LYS 30 -7.869 -9.003 -9.003 210 H GLY 31 HN GLY 31 -7.789 -4.678 -4.678 211 1HA GLY 31 HA2 GLY 31 -6.774 -5.278 -5.278 212 2HA GLY 31 HA1 GLY 31 -6.833 -6.963 -6.963 213 H CYS 32 HN CYS 32 -5.663 -3.921 -3.921 214 HA CYS 32 HA CYS 32 -3.050 -5.283 -5.283 215 1HB CYS 32 HB2 CYS 32 -4.827 -3.960 -3.960 216 2HB CYS 32 HB1 CYS 32 -3.090 -3.730 -3.730 217 H CYS 33 HN CYS 33 -1.241 -3.993 -3.993 218 HA CYS 33 HA CYS 33 -1.571 -1.681 -1.681 219 1HB CYS 33 HB2 CYS 33 0.890 -2.458 -2.458 220 2HB CYS 33 HB1 CYS 33 0.838 -1.422 -1.422 221 H PHE 34 HN PHE 34 -2.201 0.332 0.332 222 HA PHE 34 HA PHE 34 -1.801 1.084 1.084 223 1HB PHE 34 HB2 PHE 34 -4.105 1.226 1.226 224 2HB PHE 34 HB1 PHE 34 -3.478 2.483 2.483 225 HD1 PHE 34 HD2 PHE 34 -4.307 1.607 1.607 226 HD2 PHE 34 HD1 PHE 34 -2.882 4.683 4.683 227 HE1 PHE 34 HE2 PHE 34 -4.638 3.294 3.294 228 HE2 PHE 34 HE1 PHE 34 -3.212 6.371 6.371 229 HZ PHE 34 HZ PHE 34 -4.090 5.675 5.675 230 H ASP 35 HN ASP 35 -0.096 2.423 2.423 231 HA ASP 35 HA ASP 35 0.709 4.365 4.365 232 1HB ASP 35 HB2 ASP 35 2.205 2.270 2.270 233 2HB ASP 35 HB1 ASP 35 2.715 2.894 2.894 234 H ASP 36 HN ASP 36 0.378 6.350 6.350 235 HA ASP 36 HA ASP 36 0.942 6.642 6.642 236 1HB ASP 36 HB2 ASP 36 -0.566 8.636 8.636 237 2HB ASP 36 HB1 ASP 36 -1.387 7.124 7.124 238 H THR 37 HN THR 37 3.211 6.688 6.688 239 HA THR 37 HA THR 37 3.748 9.517 9.517 240 HB THR 37 HB THR 37 5.844 8.579 8.579 241 HG1 THR 37 HG1 THR 37 4.925 6.402 6.402 242 1HG2 THR 37 HG23 THR 37 3.109 7.674 7.674 243 2HG2 THR 37 HG22 THR 37 4.536 7.231 7.231 244 3HG2 THR 37 HG21 THR 37 4.129 8.931 8.931 245 H VAL 38 HN VAL 38 4.663 6.881 6.881 246 HA VAL 38 HA VAL 38 6.519 8.761 8.761 247 HB VAL 38 HB VAL 38 6.488 5.733 5.733 248 1HG1 VAL 38 HG12 VAL 38 8.068 7.915 7.915 249 2HG1 VAL 38 HG11 VAL 38 8.951 6.473 6.473 250 3HG1 VAL 38 HG13 VAL 38 7.613 6.335 6.335 251 1HG2 VAL 38 HG23 VAL 38 8.255 7.629 7.629 252 2HG2 VAL 38 HG22 VAL 38 7.116 6.461 6.461 253 3HG2 VAL 38 HG21 VAL 38 8.552 5.901 5.901 254 H ARG 39 HN ARG 39 6.411 8.847 8.847 255 HA ARG 39 HA ARG 39 3.754 8.053 8.053 256 1HB ARG 39 HB2 ARG 39 5.805 10.032 10.032 257 2HB ARG 39 HB1 ARG 39 4.268 9.677 9.677 258 1HG ARG 39 HG2 ARG 39 3.128 10.308 10.308 259 2HG ARG 39 HG1 ARG 39 4.693 10.908 10.908 260 1HD ARG 39 HD2 ARG 39 3.822 11.837 11.837 261 2HD ARG 39 HD1 ARG 39 2.897 12.455 12.455 262 HE ARG 39 HE ARG 39 5.534 13.253 13.253 263 1HH1 ARG 39 HH21 ARG 39 3.548 12.442 12.442 264 2HH1 ARG 39 HH22 ARG 39 4.434 13.446 13.446 265 1HH2 ARG 39 HH11 ARG 39 6.680 14.561 14.561 266 2HH2 ARG 39 HH12 ARG 39 6.199 14.639 14.639 267 H GLY 40 HN GLY 40 3.740 7.315 7.315 268 1HA GLY 40 HA2 GLY 40 4.619 6.063 6.063 269 2HA GLY 40 HA1 GLY 40 6.205 6.138 6.138 270 H VAL 41 HN VAL 41 5.253 5.161 5.161 271 HA VAL 41 HA VAL 41 5.232 2.310 2.310 272 HB VAL 41 HB VAL 41 5.509 2.049 2.049 273 1HG1 VAL 41 HG13 VAL 41 7.356 3.986 3.986 274 2HG1 VAL 41 HG12 VAL 41 7.751 3.190 3.190 275 3HG1 VAL 41 HG11 VAL 41 7.506 2.230 2.230 276 1HG2 VAL 41 HG21 VAL 41 4.213 4.182 4.182 277 2HG2 VAL 41 HG23 VAL 41 5.712 3.979 3.979 278 3HG2 VAL 41 HG22 VAL 41 5.660 5.074 5.074 279 HA PRO 42 HA PRO 42 0.935 1.721 1.721 280 1HB PRO 42 HB2 PRO 42 1.098 -0.823 -0.823 281 2HB PRO 42 HB1 PRO 42 1.054 -0.468 -0.468 282 1HG PRO 42 HG2 PRO 42 3.210 -1.553 -1.553 283 2HG PRO 42 HG1 PRO 42 3.179 -1.156 -1.156 284 1HD PRO 42 HD2 PRO 42 4.332 0.375 0.375 285 2HD PRO 42 HD1 PRO 42 4.701 0.463 0.463 286 H TRP 43 HN TRP 43 -0.229 2.618 2.618 287 HA TRP 43 HA TRP 43 0.903 2.796 2.796 288 1HB TRP 43 HB2 TRP 43 -1.894 3.483 3.483 289 2HB TRP 43 HB1 TRP 43 -1.149 4.006 4.006 290 HD1 TRP 43 HD1 TRP 43 1.759 4.653 4.653 291 HE1 TRP 43 HE1 TRP 43 1.989 6.819 6.819 292 HE3 TRP 43 HE3 TRP 43 -3.158 5.555 5.555 293 HZ2 TRP 43 HZ2 TRP 43 0.314 8.690 8.690 294 HZ3 TRP 43 HZ3 TRP 43 -3.809 7.537 7.537 295 HH2 TRP 43 HH2 TRP 43 -2.082 9.105 9.105 296 H CYS 44 HN CYS 44 -1.848 0.984 0.984 297 HA CYS 44 HA CYS 44 -2.312 -0.358 -0.358 298 1HB CYS 44 HB2 CYS 44 -4.155 0.360 0.360 299 2HB CYS 44 HB1 CYS 44 -3.626 -0.966 -0.966 300 H PHE 45 HN PHE 45 -0.839 -1.967 -1.967 301 HA PHE 45 HA PHE 45 -0.401 -4.029 -4.029 302 1HB PHE 45 HB2 PHE 45 1.988 -4.137 -4.137 303 2HB PHE 45 HB1 PHE 45 1.569 -2.511 -2.511 304 HD1 PHE 45 HD2 PHE 45 0.893 -0.858 -0.858 305 HD2 PHE 45 HD1 PHE 45 3.283 -4.388 -4.388 306 HE1 PHE 45 HE2 PHE 45 1.836 0.055 0.055 307 HE2 PHE 45 HE1 PHE 45 4.230 -3.484 -3.484 308 HZ PHE 45 HZ PHE 45 3.505 -1.256 -1.256 309 H TYR 46 HN TYR 46 0.869 -5.975 -5.975 310 HA TYR 46 HA TYR 46 -0.863 -6.724 -6.724 311 1HB TYR 46 HB2 TYR 46 1.425 -8.083 -8.083 312 2HB TYR 46 HB1 TYR 46 0.617 -8.813 -8.813 313 HD1 TYR 46 HD2 TYR 46 -1.806 -9.368 -9.368 314 HD2 TYR 46 HD1 TYR 46 0.347 -7.943 -7.943 315 HE1 TYR 46 HE2 TYR 46 -3.637 -10.155 -10.155 316 HE2 TYR 46 HE1 TYR 46 -1.486 -8.727 -8.727 317 HH TYR 46 HH TYR 46 -3.656 -9.430 -9.430 318 HA PRO 47 HA PRO 47 2.023 -5.866 -5.866 319 1HB PRO 47 HB2 PRO 47 1.167 -7.775 -7.775 320 2HB PRO 47 HB1 PRO 47 0.301 -6.272 -6.272 321 1HG PRO 47 HG2 PRO 47 -0.504 -8.956 -8.956 322 2HG PRO 47 HG1 PRO 47 -1.376 -7.452 -7.452 323 1HD PRO 47 HD2 PRO 47 0.281 -9.096 -9.096 324 2HD PRO 47 HD1 PRO 47 -1.001 -7.926 -7.926 325 H ASN 48 HN ASN 48 3.711 -6.886 -6.886 326 HA ASN 48 HA ASN 48 4.684 -9.515 -9.515 327 1HB ASN 48 HB2 ASN 48 6.029 -6.899 -6.899 328 2HB ASN 48 HB1 ASN 48 7.046 -8.250 -8.250 329 1HD2 ASN 48 HD22 ASN 48 6.648 -8.293 -8.293 330 2HD2 ASN 48 HD21 ASN 48 7.189 -7.120 -7.120 331 H THR 49 HN THR 49 3.950 -9.995 -9.995 332 HA THR 49 HA THR 49 5.215 -8.653 -8.653 333 HB THR 49 HB THR 49 4.249 -10.635 -10.635 334 HG1 THR 49 HG1 THR 49 3.922 -11.438 -11.438 335 1HG2 THR 49 HG23 THR 49 3.061 -8.480 -8.480 336 2HG2 THR 49 HG22 THR 49 2.369 -9.076 -9.076 337 3HG2 THR 49 HG21 THR 49 1.943 -9.845 -9.845 338 H ILE 50 HN ILE 50 7.295 -8.987 -8.987 339 HA ILE 50 HA ILE 50 8.654 -11.449 -11.449 340 HB ILE 50 HB ILE 50 9.834 -8.956 -8.956 341 1HG1 ILE 50 HG12 ILE 50 9.819 -9.738 -9.738 342 2HG1 ILE 50 HG11 ILE 50 8.663 -8.605 -8.605 343 1HG2 ILE 50 HG22 ILE 50 11.189 -11.036 -11.036 344 2HG2 ILE 50 HG21 ILE 50 11.103 -11.219 -11.219 345 3HG2 ILE 50 HG23 ILE 50 11.948 -9.839 -9.839 346 1HD1 ILE 50 HD11 ILE 50 10.819 -7.421 -7.421 347 2HD1 ILE 50 HD13 ILE 50 11.628 -8.298 -8.298 348 3HD1 ILE 50 HD12 ILE 50 10.337 -7.159 -7.159 349 H ASP 51 HN ASP 51 9.527 -12.925 -12.925 350 HA ASP 51 HA ASP 51 9.658 -12.286 -12.286 351 1HB ASP 51 HB2 ASP 51 7.331 -13.752 -13.752 352 2HB ASP 51 HB1 ASP 51 8.033 -14.403 -14.403 353 H VAL 52 HN VAL 52 10.181 -14.448 -14.448 354 HA VAL 52 HA VAL 52 12.335 -15.726 -15.726 355 HB VAL 52 HB VAL 52 12.641 -16.985 -16.985 356 1HG1 VAL 52 HG13 VAL 52 13.512 -14.602 -14.602 357 2HG1 VAL 52 HG12 VAL 52 12.225 -14.053 -14.053 358 3HG1 VAL 52 HG11 VAL 52 13.484 -15.124 -15.124 359 1HG2 VAL 52 HG21 VAL 52 9.999 -16.630 -16.630 360 2HG2 VAL 52 HG23 VAL 52 11.123 -16.889 -16.889 361 3HG2 VAL 52 HG22 VAL 52 10.602 -15.254 -15.254 362 HA PRO 53 HA PRO 53 10.710 -19.384 -19.384 363 1HB PRO 53 HB2 PRO 53 12.107 -21.077 -21.077 364 2HB PRO 53 HB1 PRO 53 12.330 -20.967 -20.967 365 1HG PRO 53 HG2 PRO 53 13.896 -19.760 -19.760 366 2HG PRO 53 HG1 PRO 53 14.164 -19.721 -19.721 367 1HD PRO 53 HD2 PRO 53 13.478 -17.518 -17.518 368 2HD PRO 53 HD1 PRO 53 13.183 -17.665 -17.665 369 HA PRO 54 HA PRO 54 7.566 -20.152 -20.152 370 1HB PRO 54 HB2 PRO 54 5.438 -19.272 -19.272 371 2HB PRO 54 HB1 PRO 54 6.379 -18.250 -18.250 372 1HG PRO 54 HG2 PRO 54 6.248 -18.112 -18.112 373 2HG PRO 54 HG1 PRO 54 7.190 -17.098 -17.098 374 1HD PRO 54 HD2 PRO 54 8.063 -19.426 -19.426 375 2HD PRO 54 HD1 PRO 54 9.024 -18.087 -18.087 376 H GLU 55 HN GLU 55 4.993 -20.993 -20.993 377 HA GLU 55 HA GLU 55 5.741 -23.526 -23.526 378 1HB GLU 55 HB2 GLU 55 4.474 -23.275 -23.275 379 2HB GLU 55 HB1 GLU 55 3.071 -23.107 -23.107 380 1HG GLU 55 HG2 GLU 55 4.085 -25.223 -25.223 381 2HG GLU 55 HG1 GLU 55 4.906 -25.456 -25.456 382 H GLU 56 HN GLU 56 4.118 -24.408 -24.408 383 HA GLU 56 HA GLU 56 3.060 -22.204 -22.204 384 1HB GLU 56 HB2 GLU 56 3.560 -25.136 -25.136 385 2HB GLU 56 HB1 GLU 56 2.837 -24.013 -24.013 386 1HG GLU 56 HG2 GLU 56 5.476 -23.387 -23.387 387 2HG GLU 56 HG1 GLU 56 5.402 -24.398 -24.398 388 H GLU 57 HN GLU 57 0.908 -21.738 -21.738 389 HA GLU 57 HA GLU 57 -0.958 -23.974 -23.974 390 1HB GLU 57 HB2 GLU 57 -0.302 -22.383 -22.383 391 2HB GLU 57 HB1 GLU 57 -1.515 -21.344 -21.344 392 1HG GLU 57 HG2 GLU 57 -2.940 -22.597 -22.597 393 2HG GLU 57 HG1 GLU 57 -2.840 -23.693 -23.693 394 H SER 58 HN SER 58 -3.335 -23.032 -23.032 395 HA SER 58 HA SER 58 -3.297 -21.058 -21.058 396 1HB SER 58 HB2 SER 58 -4.674 -23.755 -23.755 397 2HB SER 58 HB1 SER 58 -5.059 -22.484 -22.484 398 HG SER 58 HG SER 58 -2.481 -22.644 -22.644 399 H GLU 59 HN GLU 59 -5.273 -19.825 -19.825 400 HA GLU 59 HA GLU 59 -7.341 -20.307 -20.307 401 1HB GLU 59 HB2 GLU 59 -5.324 -18.580 -18.580 402 2HB GLU 59 HB1 GLU 59 -6.456 -17.485 -17.485 403 1HG GLU 59 HG2 GLU 59 -8.172 -17.933 -17.933 404 2HG GLU 59 HG1 GLU 59 -7.406 -19.422 -19.422 405 H PHE 60 HN PHE 60 -9.128 -18.474 -18.474 406 HA PHE 60 HA PHE 60 -9.951 -18.663 -18.663 407 1HB PHE 60 HB2 PHE 60 -11.012 -16.990 -16.990 408 2HB PHE 60 HB1 PHE 60 -11.819 -17.189 -17.189 409 HD1 PHE 60 HD1 PHE 60 -11.709 -19.887 -19.887 410 HD2 PHE 60 HD2 PHE 60 -11.970 -18.280 -18.280 411 HE1 PHE 60 HE1 PHE 60 -12.719 -22.009 -22.009 412 HE2 PHE 60 HE2 PHE 60 -12.980 -20.401 -20.401 413 HZ PHE 60 HZ PHE 60 -13.355 -22.266 -22.266 Start of MODEL 19 1 1H GLU 1 HT1 GLU 1 12.680 -3.841 -3.841 2 2H GLU 1 HT3 GLU 1 12.905 -2.239 -2.239 3 3H GLU 1 HT2 GLU 1 11.667 -2.615 -2.615 4 HA GLU 1 HA GLU 1 10.458 -2.464 -2.464 5 1HB GLU 1 HB2 GLU 1 11.352 -3.223 -3.223 6 2HB GLU 1 HB1 GLU 1 12.316 -1.937 -1.937 7 1HG GLU 1 HG2 GLU 1 13.083 -4.737 -4.737 8 2HG GLU 1 HG1 GLU 1 13.432 -4.181 -4.181 9 H ALA 2 HN ALA 2 9.515 -4.295 -4.295 10 HA ALA 2 HA ALA 2 9.932 -6.969 -6.969 11 1HB ALA 2 HB3 ALA 2 7.442 -5.325 -5.325 12 2HB ALA 2 HB2 ALA 2 7.274 -7.059 -7.059 13 3HB ALA 2 HB1 ALA 2 8.120 -6.467 -6.467 14 H GLN 3 HN GLN 3 8.400 -8.575 -8.575 15 HA GLN 3 HA GLN 3 8.784 -7.869 -7.869 16 1HB GLN 3 HB2 GLN 3 8.662 -10.448 -10.448 17 2HB GLN 3 HB1 GLN 3 8.292 -10.442 -10.442 18 1HG GLN 3 HG2 GLN 3 10.639 -10.874 -10.874 19 2HG GLN 3 HG1 GLN 3 10.490 -9.187 -9.187 20 1HE2 GLN 3 HE22 GLN 3 11.976 -7.921 -7.921 21 2HE2 GLN 3 HE21 GLN 3 11.262 -7.567 -7.567 22 H THR 4 HN THR 4 6.980 -7.222 -7.222 23 HA THR 4 HA THR 4 4.425 -8.564 -8.564 24 HB THR 4 HB THR 4 3.395 -6.167 -6.167 25 HG1 THR 4 HG1 THR 4 6.005 -5.672 -5.672 26 1HG2 THR 4 HG21 THR 4 3.606 -7.757 -7.757 27 2HG2 THR 4 HG23 THR 4 4.846 -6.617 -6.617 28 3HG2 THR 4 HG22 THR 4 3.194 -6.061 -6.061 29 H GLU 5 HN GLU 5 2.771 -7.179 -7.179 30 HA GLU 5 HA GLU 5 3.584 -8.142 -8.142 31 1HB GLU 5 HB2 GLU 5 1.358 -6.362 -6.362 32 2HB GLU 5 HB1 GLU 5 1.616 -6.601 -6.601 33 1HG GLU 5 HG2 GLU 5 0.245 -8.403 -8.403 34 2HG GLU 5 HG1 GLU 5 1.744 -9.174 -9.174 35 H THR 6 HN THR 6 4.289 -6.953 -6.953 36 HA THR 6 HA THR 6 5.080 -4.144 -4.144 37 HB THR 6 HB THR 6 6.939 -5.934 -5.934 38 HG1 THR 6 HG1 THR 6 7.594 -5.703 -5.703 39 1HG2 THR 6 HG22 THR 6 6.979 -3.303 -3.303 40 2HG2 THR 6 HG21 THR 6 7.781 -3.879 -3.879 41 3HG2 THR 6 HG23 THR 6 8.457 -4.257 -4.257 42 H CYS 7 HN CYS 7 4.392 -2.858 -2.858 43 HA CYS 7 HA CYS 7 3.866 -4.179 -4.179 44 1HB CYS 7 HB2 CYS 7 2.312 -2.202 -2.202 45 2HB CYS 7 HB1 CYS 7 2.317 -1.984 -1.984 46 H THR 8 HN THR 8 6.448 -3.280 -3.280 47 HA THR 8 HA THR 8 6.575 -0.886 -0.886 48 HB THR 8 HB THR 8 7.102 -0.161 -0.161 49 HG1 THR 8 HG1 THR 8 8.570 0.194 0.194 50 1HG2 THR 8 HG23 THR 8 7.958 -2.709 -2.709 51 2HG2 THR 8 HG22 THR 8 9.500 -1.876 -1.876 52 3HG2 THR 8 HG21 THR 8 8.363 -1.351 -1.351 53 H VAL 9 HN VAL 9 7.325 -1.773 -1.773 54 HA VAL 9 HA VAL 9 9.720 -3.517 -3.517 55 HB VAL 9 HB VAL 9 7.576 -3.680 -3.680 56 1HG1 VAL 9 HG11 VAL 9 10.097 -5.195 -5.195 57 2HG1 VAL 9 HG13 VAL 9 8.779 -5.993 -5.993 58 3HG1 VAL 9 HG12 VAL 9 9.549 -4.569 -4.569 59 1HG2 VAL 9 HG22 VAL 9 8.043 -5.427 -5.427 60 2HG2 VAL 9 HG21 VAL 9 6.655 -4.372 -4.372 61 3HG2 VAL 9 HG23 VAL 9 6.903 -5.781 -5.781 62 H ALA 10 HN ALA 10 10.896 -3.519 -3.519 63 HA ALA 10 HA ALA 10 11.555 -0.772 -0.772 64 1HB ALA 10 HB1 ALA 10 12.525 -3.449 -3.449 65 2HB ALA 10 HB3 ALA 10 12.805 -2.129 -2.129 66 3HB ALA 10 HB2 ALA 10 13.440 -2.030 -2.030 67 HA PRO 11 HA PRO 11 8.638 0.586 0.586 68 1HB PRO 11 HB2 PRO 11 10.899 1.107 1.107 69 2HB PRO 11 HB1 PRO 11 9.729 2.238 2.238 70 1HG PRO 11 HG2 PRO 11 12.409 1.703 1.703 71 2HG PRO 11 HG1 PRO 11 11.251 2.868 2.868 72 1HD PRO 11 HD2 PRO 11 12.153 0.616 0.616 73 2HD PRO 11 HD1 PRO 11 10.643 1.474 1.474 74 H ARG 12 HN ARG 12 11.450 -0.963 -0.963 75 HA ARG 12 HA ARG 12 9.794 -2.106 -2.106 76 1HB ARG 12 HB2 ARG 12 11.870 -3.410 -3.410 77 2HB ARG 12 HB1 ARG 12 12.115 -1.666 -1.666 78 1HG ARG 12 HG2 ARG 12 13.513 -1.814 -1.814 79 2HG ARG 12 HG1 ARG 12 12.510 -3.019 -3.019 80 1HD ARG 12 HD2 ARG 12 14.281 -4.386 -4.386 81 2HD ARG 12 HD1 ARG 12 13.438 -4.518 -4.518 82 HE ARG 12 HE ARG 12 15.065 -2.292 -2.292 83 1HH1 ARG 12 HH11 ARG 12 15.482 -5.669 -5.669 84 2HH1 ARG 12 HH12 ARG 12 17.073 -5.760 -5.760 85 1HH2 ARG 12 HH21 ARG 12 17.151 -2.434 -2.434 86 2HH2 ARG 12 HH22 ARG 12 18.012 -3.936 -3.936 87 H GLU 13 HN GLU 13 10.933 -3.246 -3.246 88 HA GLU 13 HA GLU 13 10.097 -5.987 -5.987 89 1HB GLU 13 HB2 GLU 13 11.114 -4.598 -4.598 90 2HB GLU 13 HB1 GLU 13 10.675 -6.306 -6.306 91 1HG GLU 13 HG2 GLU 13 12.291 -6.269 -6.269 92 2HG GLU 13 HG1 GLU 13 12.991 -4.901 -4.901 93 H ARG 14 HN ARG 14 8.019 -3.962 -3.962 94 HA ARG 14 HA ARG 14 6.316 -4.550 -4.550 95 1HB ARG 14 HB2 ARG 14 6.290 -2.347 -2.347 96 2HB ARG 14 HB1 ARG 14 4.883 -2.684 -2.684 97 1HG ARG 14 HG2 ARG 14 6.631 -2.591 -2.591 98 2HG ARG 14 HG1 ARG 14 7.587 -1.666 -1.666 99 1HD ARG 14 HD2 ARG 14 5.896 0.001 0.001 100 2HD ARG 14 HD1 ARG 14 4.700 -1.003 -1.003 101 HE ARG 14 HE ARG 14 6.963 -0.471 -0.471 102 1HH1 ARG 14 HH11 ARG 14 4.012 0.869 0.869 103 2HH1 ARG 14 HH12 ARG 14 3.773 1.957 1.957 104 1HH2 ARG 14 HH21 ARG 14 6.629 0.962 0.962 105 2HH2 ARG 14 HH22 ARG 14 5.248 2.008 2.008 106 H GLN 15 HN GLN 15 4.299 -5.570 -5.570 107 HA GLN 15 HA GLN 15 3.931 -6.766 -6.766 108 1HB GLN 15 HB2 GLN 15 2.684 -7.528 -7.528 109 2HB GLN 15 HB1 GLN 15 2.522 -8.413 -8.413 110 1HG GLN 15 HG2 GLN 15 4.358 -9.582 -9.582 111 2HG GLN 15 HG1 GLN 15 5.290 -8.111 -8.111 112 1HE2 GLN 15 HE22 GLN 15 6.044 -7.736 -7.736 113 2HE2 GLN 15 HE21 GLN 15 6.407 -7.342 -7.342 114 H ASN 16 HN ASN 16 2.486 -5.680 -5.680 115 HA ASN 16 HA ASN 16 0.691 -3.712 -3.712 116 1HB ASN 16 HB2 ASN 16 1.570 -4.198 -4.198 117 2HB ASN 16 HB1 ASN 16 0.187 -5.288 -5.288 118 1HD2 ASN 16 HD22 ASN 16 -1.524 -2.362 -2.362 119 2HD2 ASN 16 HD21 ASN 16 -0.787 -3.805 -3.805 120 H CYS 17 HN CYS 17 -1.118 -4.026 -4.026 121 HA CYS 17 HA CYS 17 -2.386 -6.678 -6.678 122 1HB CYS 17 HB2 CYS 17 -1.769 -5.112 -5.112 123 2HB CYS 17 HB1 CYS 17 -3.358 -4.440 -4.440 124 H GLY 18 HN GLY 18 -2.812 -3.485 -3.485 125 1HA GLY 18 HA2 GLY 18 -5.064 -4.222 -4.222 126 2HA GLY 18 HA1 GLY 18 -5.600 -3.268 -3.268 127 H PHE 19 HN PHE 19 -6.113 -1.987 -1.987 128 HA PHE 19 HA PHE 19 -3.937 -0.524 -0.524 129 1HB PHE 19 HB2 PHE 19 -5.805 1.047 1.047 130 2HB PHE 19 HB1 PHE 19 -5.901 -0.627 -0.627 131 HD1 PHE 19 HD1 PHE 19 -7.456 -2.225 -2.225 132 HD2 PHE 19 HD2 PHE 19 -7.517 2.011 2.011 133 HE1 PHE 19 HE1 PHE 19 -9.721 -2.426 -2.426 134 HE2 PHE 19 HE2 PHE 19 -9.785 1.806 1.806 135 HZ PHE 19 HZ PHE 19 -10.884 -0.411 -0.411 136 HA PRO 20 HA PRO 20 -3.393 2.714 2.714 137 1HB PRO 20 HB2 PRO 20 -2.886 4.871 4.871 138 2HB PRO 20 HB1 PRO 20 -1.712 3.644 3.644 139 1HG PRO 20 HG2 PRO 20 -2.826 4.087 4.087 140 2HG PRO 20 HG1 PRO 20 -1.625 2.885 2.885 141 1HD PRO 20 HD2 PRO 20 -4.490 2.532 2.532 142 2HD PRO 20 HD1 PRO 20 -3.215 1.307 1.307 143 H GLY 21 HN GLY 21 -5.742 3.455 3.455 144 1HA GLY 21 HA2 GLY 21 -6.822 5.835 5.835 145 2HA GLY 21 HA1 GLY 21 -7.726 4.650 4.650 146 H VAL 22 HN VAL 22 -6.842 2.690 2.690 147 HA VAL 22 HA VAL 22 -9.328 2.703 2.703 148 HB VAL 22 HB VAL 22 -8.161 1.218 1.218 149 1HG1 VAL 22 HG13 VAL 22 -9.106 0.438 0.438 150 2HG1 VAL 22 HG12 VAL 22 -7.458 0.507 0.507 151 3HG1 VAL 22 HG11 VAL 22 -7.855 -0.594 -0.594 152 1HG2 VAL 22 HG22 VAL 22 -5.784 2.087 2.087 153 2HG2 VAL 22 HG21 VAL 22 -5.962 2.104 2.104 154 3HG2 VAL 22 HG23 VAL 22 -5.779 0.572 0.572 155 H THR 23 HN THR 23 -9.388 2.895 2.895 156 HA THR 23 HA THR 23 -7.832 5.271 5.271 157 HB THR 23 HB THR 23 -9.871 6.128 6.128 158 HG1 THR 23 HG1 THR 23 -11.806 5.110 5.110 159 1HG2 THR 23 HG22 THR 23 -10.241 5.557 5.557 160 2HG2 THR 23 HG21 THR 23 -11.069 6.818 6.818 161 3HG2 THR 23 HG23 THR 23 -9.323 6.902 6.902 162 HA PRO 24 HA PRO 24 -6.574 3.409 3.409 163 1HB PRO 24 HB2 PRO 24 -8.321 5.160 5.160 164 2HB PRO 24 HB1 PRO 24 -6.555 5.068 5.068 165 1HG PRO 24 HG2 PRO 24 -8.281 6.958 6.958 166 2HG PRO 24 HG1 PRO 24 -6.513 6.933 6.933 167 1HD PRO 24 HD2 PRO 24 -7.983 6.496 6.496 168 2HD PRO 24 HD1 PRO 24 -6.326 5.910 5.910 169 H SER 25 HN SER 25 -10.065 4.048 4.048 170 HA SER 25 HA SER 25 -10.881 2.132 2.132 171 1HB SER 25 HB2 SER 25 -12.340 3.577 3.577 172 2HB SER 25 HB1 SER 25 -13.138 2.436 2.436 173 HG SER 25 HG SER 25 -12.386 5.004 5.004 174 H GLN 26 HN GLN 26 -10.800 2.133 2.133 175 HA GLN 26 HA GLN 26 -11.784 -0.519 -0.519 176 1HB GLN 26 HB2 GLN 26 -10.103 1.238 1.238 177 2HB GLN 26 HB1 GLN 26 -10.704 -0.347 -0.347 178 1HG GLN 26 HG2 GLN 26 -13.016 0.386 0.386 179 2HG GLN 26 HG1 GLN 26 -12.430 1.966 1.966 180 1HE2 GLN 26 HE22 GLN 26 -12.888 1.227 1.227 181 2HE2 GLN 26 HE21 GLN 26 -13.401 0.135 0.135 182 H CYS 27 HN CYS 27 -8.430 0.790 0.790 183 HA CYS 27 HA CYS 27 -7.135 -1.701 -1.701 184 1HB CYS 27 HB2 CYS 27 -6.134 0.659 0.659 185 2HB CYS 27 HB1 CYS 27 -6.025 0.595 0.595 186 H ALA 28 HN ALA 28 -8.508 -0.134 -0.134 187 HA ALA 28 HA ALA 28 -7.282 -2.122 -2.122 188 1HB ALA 28 HB3 ALA 28 -7.521 0.274 0.274 189 2HB ALA 28 HB2 ALA 28 -9.272 0.073 0.073 190 3HB ALA 28 HB1 ALA 28 -8.309 -0.846 -0.846 191 H ASN 29 HN ASN 29 -10.070 -1.889 -1.889 192 HA ASN 29 HA ASN 29 -11.723 -3.526 -3.526 193 1HB ASN 29 HB2 ASN 29 -12.725 -1.653 -1.653 194 2HB ASN 29 HB1 ASN 29 -12.317 -2.529 -2.529 195 1HD2 ASN 29 HD22 ASN 29 -15.344 -3.951 -3.951 196 2HD2 ASN 29 HD21 ASN 29 -14.202 -2.876 -2.876 197 H LYS 30 HN LYS 30 -9.275 -4.066 -4.066 198 HA LYS 30 HA LYS 30 -10.454 -6.664 -6.664 199 1HB LYS 30 HB2 LYS 30 -8.241 -4.987 -4.987 200 2HB LYS 30 HB1 LYS 30 -8.612 -6.630 -6.630 201 1HG LYS 30 HG2 LYS 30 -10.852 -5.989 -5.989 202 2HG LYS 30 HG1 LYS 30 -10.643 -4.385 -4.385 203 1HD LYS 30 HD2 LYS 30 -9.092 -3.732 -3.732 204 2HD LYS 30 HD1 LYS 30 -8.819 -5.398 -5.398 205 1HE LYS 30 HE2 LYS 30 -10.253 -4.254 -4.254 206 2HE LYS 30 HE1 LYS 30 -11.174 -5.510 -5.510 207 1HZ LYS 30 HZ2 LYS 30 -11.126 -2.688 -2.688 208 2HZ LYS 30 HZ1 LYS 30 -12.298 -3.340 -3.340 209 3HZ LYS 30 HZ3 LYS 30 -12.162 -3.921 -3.921 210 H GLY 31 HN GLY 31 -7.800 -5.103 -5.103 211 1HA GLY 31 HA2 GLY 31 -6.752 -6.411 -6.411 212 2HA GLY 31 HA1 GLY 31 -6.795 -7.804 -7.804 213 H CYS 32 HN CYS 32 -5.991 -4.689 -4.689 214 HA CYS 32 HA CYS 32 -3.172 -5.594 -5.594 215 1HB CYS 32 HB2 CYS 32 -4.596 -3.635 -3.635 216 2HB CYS 32 HB1 CYS 32 -3.048 -4.425 -4.425 217 H CYS 33 HN CYS 33 -1.560 -4.169 -4.169 218 HA CYS 33 HA CYS 33 -2.397 -1.988 -1.988 219 1HB CYS 33 HB2 CYS 33 0.197 -3.232 -3.232 220 2HB CYS 33 HB1 CYS 33 0.245 -1.577 -1.577 221 H PHE 34 HN PHE 34 -2.534 0.170 0.170 222 HA PHE 34 HA PHE 34 -1.937 0.943 0.943 223 1HB PHE 34 HB2 PHE 34 -4.248 1.301 1.301 224 2HB PHE 34 HB1 PHE 34 -3.518 2.478 2.478 225 HD1 PHE 34 HD1 PHE 34 -4.153 1.671 1.671 226 HD2 PHE 34 HD2 PHE 34 -2.887 4.657 4.657 227 HE1 PHE 34 HE1 PHE 34 -4.278 3.400 3.400 228 HE2 PHE 34 HE2 PHE 34 -3.012 6.385 6.385 229 HZ PHE 34 HZ PHE 34 -3.709 5.755 5.755 230 H ASP 35 HN ASP 35 -0.442 2.590 2.590 231 HA ASP 35 HA ASP 35 0.659 4.123 4.123 232 1HB ASP 35 HB2 ASP 35 1.998 1.982 1.982 233 2HB ASP 35 HB1 ASP 35 2.465 2.533 2.533 234 H ASP 36 HN ASP 36 0.109 6.115 6.115 235 HA ASP 36 HA ASP 36 0.910 6.613 6.613 236 1HB ASP 36 HB2 ASP 36 -0.565 8.627 8.627 237 2HB ASP 36 HB1 ASP 36 -1.428 7.108 7.108 238 H THR 37 HN THR 37 3.205 6.703 6.703 239 HA THR 37 HA THR 37 3.726 9.376 9.376 240 HB THR 37 HB THR 37 5.861 8.322 8.322 241 HG1 THR 37 HG1 THR 37 5.418 6.498 6.498 242 1HG2 THR 37 HG21 THR 37 3.819 8.609 8.609 243 2HG2 THR 37 HG23 THR 37 3.312 6.985 6.985 244 3HG2 THR 37 HG22 THR 37 4.789 7.213 7.213 245 H VAL 38 HN VAL 38 4.945 6.866 6.866 246 HA VAL 38 HA VAL 38 6.523 8.992 8.992 247 HB VAL 38 HB VAL 38 6.844 5.983 5.983 248 1HG1 VAL 38 HG12 VAL 38 7.638 7.324 7.324 249 2HG1 VAL 38 HG11 VAL 38 8.659 8.258 8.258 250 3HG1 VAL 38 HG13 VAL 38 8.961 6.537 6.537 251 1HG2 VAL 38 HG22 VAL 38 7.350 6.884 6.884 252 2HG2 VAL 38 HG21 VAL 38 8.782 6.256 6.256 253 3HG2 VAL 38 HG23 VAL 38 8.506 7.997 7.997 254 H ARG 39 HN ARG 39 6.426 9.082 9.082 255 HA ARG 39 HA ARG 39 3.861 8.045 8.045 256 1HB ARG 39 HB2 ARG 39 5.653 10.345 10.345 257 2HB ARG 39 HB1 ARG 39 4.557 9.688 9.688 258 1HG ARG 39 HG2 ARG 39 2.670 10.385 10.385 259 2HG ARG 39 HG1 ARG 39 3.424 10.221 10.221 260 1HD ARG 39 HD2 ARG 39 4.509 12.291 12.291 261 2HD ARG 39 HD1 ARG 39 4.398 12.325 12.325 262 HE ARG 39 HE ARG 39 2.417 13.291 13.291 263 1HH1 ARG 39 HH21 ARG 39 2.886 11.724 11.724 264 2HH1 ARG 39 HH22 ARG 39 1.395 12.302 12.302 265 1HH2 ARG 39 HH11 ARG 39 0.468 14.036 14.036 266 2HH2 ARG 39 HH12 ARG 39 0.034 13.604 13.604 267 H GLY 40 HN GLY 40 4.008 7.497 7.497 268 1HA GLY 40 HA2 GLY 40 5.062 6.364 6.364 269 2HA GLY 40 HA1 GLY 40 6.567 6.389 6.389 270 H VAL 41 HN VAL 41 5.285 5.284 5.284 271 HA VAL 41 HA VAL 41 5.216 2.466 2.466 272 HB VAL 41 HB VAL 41 5.589 1.995 1.995 273 1HG1 VAL 41 HG11 VAL 41 7.407 2.656 2.656 274 2HG1 VAL 41 HG13 VAL 41 7.663 4.012 4.012 275 3HG1 VAL 41 HG12 VAL 41 7.862 2.358 2.358 276 1HG2 VAL 41 HG21 VAL 41 4.470 4.152 4.152 277 2HG2 VAL 41 HG23 VAL 41 6.004 3.799 3.799 278 3HG2 VAL 41 HG22 VAL 41 5.938 4.995 4.995 279 HA PRO 42 HA PRO 42 0.948 2.061 2.061 280 1HB PRO 42 HB2 PRO 42 0.996 -0.547 -0.547 281 2HB PRO 42 HB1 PRO 42 0.882 -0.093 -0.093 282 1HG PRO 42 HG2 PRO 42 3.040 -1.397 -1.397 283 2HG PRO 42 HG1 PRO 42 2.939 -0.900 -0.900 284 1HD PRO 42 HD2 PRO 42 4.321 0.417 0.417 285 2HD PRO 42 HD1 PRO 42 4.590 0.589 0.589 286 H TRP 43 HN TRP 43 -0.144 2.860 2.860 287 HA TRP 43 HA TRP 43 1.128 2.873 2.873 288 1HB TRP 43 HB2 TRP 43 -1.678 3.739 3.739 289 2HB TRP 43 HB1 TRP 43 -0.788 4.191 4.191 290 HD1 TRP 43 HD1 TRP 43 2.009 4.879 4.879 291 HE1 TRP 43 HE1 TRP 43 2.275 6.978 6.978 292 HE3 TRP 43 HE3 TRP 43 -2.859 5.634 5.634 293 HZ2 TRP 43 HZ2 TRP 43 0.640 8.743 8.743 294 HZ3 TRP 43 HZ3 TRP 43 -3.476 7.527 7.527 295 HH2 TRP 43 HH2 TRP 43 -1.735 9.082 9.082 296 H CYS 44 HN CYS 44 -1.657 1.178 1.178 297 HA CYS 44 HA CYS 44 -2.207 -0.196 -0.196 298 1HB CYS 44 HB2 CYS 44 -4.020 0.582 0.582 299 2HB CYS 44 HB1 CYS 44 -3.467 -0.658 -0.658 300 H PHE 45 HN PHE 45 -0.610 -1.742 -1.742 301 HA PHE 45 HA PHE 45 -0.194 -3.787 -3.787 302 1HB PHE 45 HB2 PHE 45 2.179 -3.932 -3.932 303 2HB PHE 45 HB1 PHE 45 1.786 -2.291 -2.291 304 HD1 PHE 45 HD1 PHE 45 0.990 -0.716 -0.716 305 HD2 PHE 45 HD2 PHE 45 3.458 -4.202 -4.202 306 HE1 PHE 45 HE1 PHE 45 1.861 0.148 0.148 307 HE2 PHE 45 HE2 PHE 45 4.333 -3.342 -3.342 308 HZ PHE 45 HZ PHE 45 3.532 -1.166 -1.166 309 H TYR 46 HN TYR 46 1.035 -5.770 -5.770 310 HA TYR 46 HA TYR 46 -0.764 -6.676 -6.676 311 1HB TYR 46 HB2 TYR 46 1.641 -7.818 -7.818 312 2HB TYR 46 HB1 TYR 46 0.982 -8.623 -8.623 313 HD1 TYR 46 HD2 TYR 46 -1.471 -9.287 -9.287 314 HD2 TYR 46 HD1 TYR 46 0.569 -7.991 -7.991 315 HE1 TYR 46 HE2 TYR 46 -3.260 -10.288 -10.288 316 HE2 TYR 46 HE1 TYR 46 -1.220 -8.993 -8.993 317 HH TYR 46 HH TYR 46 -3.964 -9.565 -9.565 318 HA PRO 47 HA PRO 47 1.815 -5.784 -5.784 319 1HB PRO 47 HB2 PRO 47 0.918 -7.787 -7.787 320 2HB PRO 47 HB1 PRO 47 -0.004 -6.327 -6.327 321 1HG PRO 47 HG2 PRO 47 -0.589 -9.039 -9.039 322 2HG PRO 47 HG1 PRO 47 -1.523 -7.579 -7.579 323 1HD PRO 47 HD2 PRO 47 0.383 -9.058 -9.058 324 2HD PRO 47 HD1 PRO 47 -0.936 -7.960 -7.960 325 H ASN 48 HN ASN 48 3.324 -6.896 -6.896 326 HA ASN 48 HA ASN 48 4.614 -9.320 -9.320 327 1HB ASN 48 HB2 ASN 48 5.972 -6.673 -6.673 328 2HB ASN 48 HB1 ASN 48 6.852 -8.195 -8.195 329 1HD2 ASN 48 HD22 ASN 48 5.053 -6.662 -6.662 330 2HD2 ASN 48 HD21 ASN 48 4.442 -6.241 -6.241 331 H THR 49 HN THR 49 3.914 -10.526 -10.526 332 HA THR 49 HA THR 49 4.265 -9.505 -9.505 333 HB THR 49 HB THR 49 3.564 -11.769 -11.769 334 HG1 THR 49 HG1 THR 49 3.086 -12.632 -12.632 335 1HG2 THR 49 HG21 THR 49 2.002 -9.919 -9.919 336 2HG2 THR 49 HG23 THR 49 1.810 -11.154 -11.154 337 3HG2 THR 49 HG22 THR 49 1.367 -11.507 -11.507 338 H ILE 50 HN ILE 50 6.050 -9.752 -9.752 339 HA ILE 50 HA ILE 50 8.163 -11.618 -11.618 340 HB ILE 50 HB ILE 50 8.610 -8.885 -8.885 341 1HG1 ILE 50 HG12 ILE 50 9.046 -9.774 -9.774 342 2HG1 ILE 50 HG11 ILE 50 7.664 -8.819 -8.819 343 1HG2 ILE 50 HG22 ILE 50 10.277 -10.987 -10.987 344 2HG2 ILE 50 HG21 ILE 50 10.701 -10.409 -10.409 345 3HG2 ILE 50 HG23 ILE 50 10.866 -9.338 -9.338 346 1HD1 ILE 50 HD13 ILE 50 9.646 -7.338 -7.338 347 2HD1 ILE 50 HD12 ILE 50 10.514 -8.021 -8.021 348 3HD1 ILE 50 HD11 ILE 50 9.047 -7.079 -7.079 349 H ASP 51 HN ASP 51 9.192 -12.801 -12.801 350 HA ASP 51 HA ASP 51 8.838 -12.091 -12.091 351 1HB ASP 51 HB2 ASP 51 7.625 -14.204 -14.204 352 2HB ASP 51 HB1 ASP 51 6.651 -13.091 -13.091 353 H VAL 52 HN VAL 52 9.578 -14.282 -14.282 354 HA VAL 52 HA VAL 52 12.173 -14.940 -14.940 355 HB VAL 52 HB VAL 52 12.664 -15.881 -15.881 356 1HG1 VAL 52 HG11 VAL 52 11.603 -13.049 -13.049 357 2HG1 VAL 52 HG13 VAL 52 12.528 -13.653 -13.653 358 3HG1 VAL 52 HG12 VAL 52 13.269 -13.582 -13.582 359 1HG2 VAL 52 HG23 VAL 52 9.806 -15.001 -15.001 360 2HG2 VAL 52 HG22 VAL 52 10.521 -16.582 -16.582 361 3HG2 VAL 52 HG21 VAL 52 10.946 -15.204 -15.204 362 HA PRO 53 HA PRO 53 11.198 -18.933 -18.933 363 1HB PRO 53 HB2 PRO 53 13.369 -20.189 -20.189 364 2HB PRO 53 HB1 PRO 53 13.238 -19.860 -19.860 365 1HG PRO 53 HG2 PRO 53 14.679 -18.382 -18.382 366 2HG PRO 53 HG1 PRO 53 14.773 -18.245 -18.245 367 1HD PRO 53 HD2 PRO 53 13.683 -16.315 -16.315 368 2HD PRO 53 HD1 PRO 53 13.212 -16.562 -16.562 369 HA PRO 54 HA PRO 54 11.273 -21.533 -21.533 370 1HB PRO 54 HB2 PRO 54 10.844 -19.208 -19.208 371 2HB PRO 54 HB1 PRO 54 11.956 -20.569 -20.569 372 1HG PRO 54 HG2 PRO 54 12.518 -17.922 -17.922 373 2HG PRO 54 HG1 PRO 54 13.643 -19.260 -19.260 374 1HD PRO 54 HD2 PRO 54 13.026 -18.228 -18.228 375 2HD PRO 54 HD1 PRO 54 13.666 -19.856 -19.856 376 H GLU 55 HN GLU 55 9.540 -18.419 -18.419 377 HA GLU 55 HA GLU 55 7.041 -19.781 -19.781 378 1HB GLU 55 HB2 GLU 55 7.918 -17.436 -17.436 379 2HB GLU 55 HB1 GLU 55 7.185 -16.858 -16.858 380 1HG GLU 55 HG2 GLU 55 5.045 -17.386 -17.386 381 2HG GLU 55 HG1 GLU 55 5.584 -18.728 -18.728 382 H GLU 56 HN GLU 56 5.042 -19.152 -19.152 383 HA GLU 56 HA GLU 56 5.693 -18.653 -18.653 384 1HB GLU 56 HB2 GLU 56 4.163 -21.028 -21.028 385 2HB GLU 56 HB1 GLU 56 4.099 -20.530 -20.530 386 1HG GLU 56 HG2 GLU 56 6.692 -20.624 -20.624 387 2HG GLU 56 HG1 GLU 56 6.452 -21.581 -21.581 388 H GLU 57 HN GLU 57 4.153 -17.362 -17.362 389 HA GLU 57 HA GLU 57 1.827 -16.611 -16.611 390 1HB GLU 57 HB2 GLU 57 3.405 -15.234 -15.234 391 2HB GLU 57 HB1 GLU 57 1.744 -14.735 -14.735 392 1HG GLU 57 HG2 GLU 57 2.369 -14.496 -14.496 393 2HG GLU 57 HG1 GLU 57 4.046 -14.787 -14.787 394 H SER 58 HN SER 58 -0.236 -17.119 -17.119 395 HA SER 58 HA SER 58 -0.481 -18.638 -18.638 396 1HB SER 58 HB2 SER 58 -2.841 -19.005 -19.005 397 2HB SER 58 HB1 SER 58 -1.550 -19.665 -19.665 398 HG SER 58 HG SER 58 -2.964 -17.227 -17.227 399 H GLU 59 HN GLU 59 -2.191 -18.088 -18.088 400 HA GLU 59 HA GLU 59 -3.030 -15.248 -15.248 401 1HB GLU 59 HB2 GLU 59 -1.058 -15.717 -15.717 402 2HB GLU 59 HB1 GLU 59 -2.202 -16.632 -16.632 403 1HG GLU 59 HG2 GLU 59 -3.564 -14.701 -14.701 404 2HG GLU 59 HG1 GLU 59 -2.704 -13.773 -13.773 405 H PHE 60 HN PHE 60 -5.178 -14.907 -14.907 406 HA PHE 60 HA PHE 60 -6.613 -17.033 -17.033 407 1HB PHE 60 HB2 PHE 60 -6.775 -17.427 -17.427 408 2HB PHE 60 HB1 PHE 60 -7.676 -15.913 -15.913 409 HD1 PHE 60 HD1 PHE 60 -7.624 -19.225 -19.225 410 HD2 PHE 60 HD2 PHE 60 -9.983 -15.869 -15.869 411 HE1 PHE 60 HE1 PHE 60 -9.687 -20.412 -20.412 412 HE2 PHE 60 HE2 PHE 60 -12.047 -17.058 -17.058 413 HZ PHE 60 HZ PHE 60 -11.898 -19.329 -19.329
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