NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3417 | 1dqb | 4630 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 1 1H HIS 1 6.943 1.928 25.754 2 2H HIS 1 2H HIS 1 5.363 1.696 26.331 3 3H HIS 1 3H HIS 1 6.190 0.416 25.580 4 HA HIS 1 HA HIS 1 5.173 2.893 24.397 5 1HB HIS 1 1HB HIS 1 7.519 2.128 23.564 6 2HB HIS 1 2HB HIS 1 6.703 0.733 22.895 7 HD2 HIS 1 HD2 HIS 1 5.773 1.065 20.493 8 HE1 HIS 1 HE1 HIS 1 5.591 5.351 20.306 9 HE2 HIS 1 HE2 HIS 1 5.182 3.189 18.970 10 H MET 2 H MET 2 5.446 -0.592 23.355 11 HA MET 2 HA MET 2 4.129 -2.229 24.263 12 1HB MET 2 2HB MET 2 2.929 0.187 25.695 13 2HB MET 2 1HB MET 2 2.255 -1.408 25.925 14 1HG MET 2 1HG MET 2 5.119 -1.619 26.242 15 2HG MET 2 2HG MET 2 4.564 -0.261 27.206 16 1HE MET 2 1HE MET 2 5.891 -2.969 27.522 17 2HE MET 2 2HE MET 2 4.806 -4.370 27.553 18 3HE MET 2 3HE MET 2 5.318 -3.612 29.070 19 H GLU 3 H GLU 3 1.352 -2.187 24.822 20 HA GLU 3 HA GLU 3 -0.074 -1.417 22.574 21 1HB GLU 3 1HB GLU 3 -0.043 -3.876 21.497 22 2HB GLU 3 2HB GLU 3 1.256 -2.748 21.105 23 1HG GLU 3 1HG GLU 3 2.649 -3.746 22.952 24 2HG GLU 3 2HG GLU 3 1.356 -4.886 23.294 25 HA PRO 4 HA PRO 4 -3.205 -3.841 24.760 26 1HB PRO 4 1HB PRO 4 -5.156 -2.496 23.146 27 2HB PRO 4 2HB PRO 4 -4.862 -2.247 24.862 28 1HG PRO 4 1HG PRO 4 -4.185 -0.485 22.643 29 2HG PRO 4 2HG PRO 4 -4.000 -0.170 24.369 30 1HD PRO 4 1HD PRO 4 -1.948 -0.803 22.429 31 2HD PRO 4 2HD PRO 4 -1.713 -0.466 24.156 32 H VAL 5 H VAL 5 -1.554 -4.534 22.339 33 HA VAL 5 HA VAL 5 -1.927 -3.828 20.019 34 HB VAL 5 HB VAL 5 -2.644 -6.705 20.510 35 1HG1 VAL 5 1HG1 VAL 5 -1.269 -7.031 18.301 36 2HG1 VAL 5 2HG1 VAL 5 -2.938 -6.482 18.199 37 3HG1 VAL 5 3HG1 VAL 5 -1.622 -5.322 18.030 38 1HG2 VAL 5 1HG2 VAL 5 0.166 -5.574 20.183 39 2HG2 VAL 5 2HG2 VAL 5 -0.571 -5.950 21.742 40 3HG2 VAL 5 3HG2 VAL 5 -0.258 -7.240 20.581 41 H ASP 6 H ASP 6 -3.474 -3.199 18.584 42 HA ASP 6 HA ASP 6 -5.131 -2.091 20.346 43 1HB ASP 6 2HB ASP 6 -4.862 -1.733 17.584 44 2HB ASP 6 1HB ASP 6 -6.598 -1.871 17.807 45 HA PRO 7 HA PRO 7 -7.169 -5.899 18.281 46 1HB PRO 7 1HB PRO 7 -7.617 -4.419 15.770 47 2HB PRO 7 2HB PRO 7 -8.577 -5.725 16.462 48 1HG PRO 7 1HG PRO 7 -9.223 -2.934 16.422 49 2HG PRO 7 2HG PRO 7 -10.109 -4.198 17.266 50 1HD PRO 7 1HD PRO 7 -8.466 -2.111 18.448 51 2HD PRO 7 2HD PRO 7 -9.342 -3.397 19.290 52 H CYS 8 H CYS 8 -6.083 -2.954 16.498 53 HA CYS 8 HA CYS 8 -3.996 -4.652 15.371 54 1HB CYS 8 2HB CYS 8 -5.818 -3.103 14.186 55 2HB CYS 8 1HB CYS 8 -4.540 -1.900 14.270 56 H PHE 9 H PHE 9 -3.831 -1.132 15.686 57 HA PHE 9 HA PHE 9 -1.661 -0.152 15.797 58 1HB PHE 9 1HB PHE 9 -3.374 0.464 17.346 59 2HB PHE 9 2HB PHE 9 -2.845 -0.752 18.522 60 HD1 PHE 9 HD1 PHE 9 -2.390 0.838 20.359 61 HD2 PHE 9 HD2 PHE 9 -0.406 1.229 16.495 62 HE1 PHE 9 HE1 PHE 9 -0.772 2.488 21.357 63 HE2 PHE 9 HE2 PHE 9 1.215 2.874 17.492 64 HZ PHE 9 HZ PHE 9 1.026 3.512 19.922 65 H ARG 10 H ARG 10 -1.218 -2.583 15.420 66 HA ARG 10 HA ARG 10 1.484 -2.802 16.330 67 1HB ARG 10 2HB ARG 10 -0.404 -3.749 18.112 68 2HB ARG 10 1HB ARG 10 0.396 -5.199 17.522 69 1HG ARG 10 1HG ARG 10 1.630 -2.624 18.556 70 2HG ARG 10 2HG ARG 10 1.551 -4.109 19.394 71 1HD ARG 10 1HD ARG 10 3.293 -3.463 16.973 72 2HD ARG 10 2HD ARG 10 3.839 -4.060 18.550 73 HE ARG 10 HE ARG 10 2.174 -6.035 17.472 74 1HH1 ARG 10 1HH1 ARG 10 5.205 -4.528 15.746 75 2HH1 ARG 10 2HH1 ARG 10 4.197 -5.457 14.686 76 1HH2 ARG 10 2HH2 ARG 10 4.097 -7.779 17.459 77 2HH2 ARG 10 1HH2 ARG 10 5.616 -7.182 16.881 78 H ALA 11 H ALA 11 -0.593 -3.652 14.122 79 HA ALA 11 HA ALA 11 -1.364 -6.082 15.047 80 1HB ALA 11 1HB ALA 11 -1.837 -4.771 12.489 81 2HB ALA 11 2HB ALA 11 -1.835 -6.524 12.283 82 3HB ALA 11 3HB ALA 11 -2.923 -5.797 13.454 83 H ASN 12 H ASN 12 -0.111 -7.266 11.745 84 HA ASN 12 HA ASN 12 1.888 -5.397 12.683 85 1HB ASN 12 1HB ASN 12 2.634 -7.982 13.093 86 2HB ASN 12 2HB ASN 12 3.092 -7.867 11.398 87 1HD2 ASN 12 1HD2 ASN 12 3.749 -4.830 11.689 88 2HD2 ASN 12 2HD2 ASN 12 5.384 -5.431 11.491 89 H CYS 13 H CYS 13 -0.227 -5.268 10.630 90 HA CYS 13 HA CYS 13 0.453 -4.416 8.367 91 1HB CYS 13 1HB CYS 13 0.257 -2.295 10.587 92 2HB CYS 13 2HB CYS 13 -0.140 -2.115 8.877 93 H GLU 14 H GLU 14 2.204 -4.648 7.462 94 HA GLU 14 HA GLU 14 4.765 -3.793 8.029 95 1HB GLU 14 1HB GLU 14 3.802 -4.825 5.835 96 2HB GLU 14 2HB GLU 14 3.569 -3.177 5.320 97 1HG GLU 14 1HG GLU 14 6.291 -3.743 6.414 98 2HG GLU 14 2HG GLU 14 5.899 -4.600 4.927 99 H TYR 15 H TYR 15 3.204 -1.478 5.693 100 HA TYR 15 HA TYR 15 3.238 0.669 7.493 101 1HB TYR 15 2HB TYR 15 2.444 0.592 5.038 102 2HB TYR 15 1HB TYR 15 0.860 0.145 5.653 103 HD1 TYR 15 HD1 TYR 15 -0.546 1.867 6.769 104 HD2 TYR 15 HD2 TYR 15 3.588 2.720 5.673 105 HE1 TYR 15 HE1 TYR 15 -0.930 4.309 7.231 106 HE2 TYR 15 HE2 TYR 15 3.206 5.165 6.132 107 HH TYR 15 HH TYR 15 0.213 6.340 7.631 108 H GLN 16 H GLN 16 0.161 0.500 7.191 109 HA GLN 16 HA GLN 16 0.017 -0.307 10.064 110 1HB GLN 16 1HB GLN 16 0.184 2.218 9.223 111 2HB GLN 16 2HB GLN 16 -1.567 2.048 9.065 112 1HG GLN 16 1HG GLN 16 -1.776 1.793 11.468 113 2HG GLN 16 2HG GLN 16 -0.156 1.121 11.606 114 1HE2 GLN 16 1HE2 GLN 16 -1.959 4.129 10.859 115 2HE2 GLN 16 2HE2 GLN 16 -0.530 5.139 10.738 116 H CYS 17 H CYS 17 -2.236 0.588 10.588 117 HA CYS 17 HA CYS 17 -4.085 -1.385 9.340 118 1HB CYS 17 1HB CYS 17 -3.273 -1.203 11.962 119 2HB CYS 17 2HB CYS 17 -4.891 -0.529 12.059 120 H GLN 18 H GLN 18 -6.596 -0.997 9.664 121 HA GLN 18 HA GLN 18 -7.238 1.624 8.970 122 1HB GLN 18 2HB GLN 18 -8.484 -1.050 9.321 123 2HB GLN 18 1HB GLN 18 -9.521 0.234 9.865 124 1HG GLN 18 1HG GLN 18 -8.461 -0.206 7.054 125 2HG GLN 18 2HG GLN 18 -10.126 -0.078 7.591 126 1HE2 GLN 18 2HE2 GLN 18 -7.664 1.641 6.029 127 2HE2 GLN 18 1HE2 GLN 18 -7.520 3.033 7.084 128 HA PRO 19 HA PRO 19 -7.396 -1.280 11.662 129 1HB PRO 19 1HB PRO 19 -8.770 -0.937 14.262 130 2HB PRO 19 2HB PRO 19 -7.394 -1.950 13.866 131 1HG PRO 19 1HG PRO 19 -7.259 0.504 15.274 132 2HG PRO 19 2HG PRO 19 -5.882 -0.270 14.490 133 1HD PRO 19 1HD PRO 19 -7.312 2.167 13.649 134 2HD PRO 19 2HD PRO 19 -5.809 1.499 12.993 135 H LEU 20 H LEU 20 -8.921 -2.169 10.532 136 HA LEU 20 HA LEU 20 -10.296 -3.852 11.566 137 1HB LEU 20 1HB LEU 20 -11.242 -2.658 13.423 138 2HB LEU 20 2HB LEU 20 -12.009 -1.474 12.369 139 HG LEU 20 HG LEU 20 -13.183 -3.633 11.389 140 1HD1 LEU 20 1HD1 LEU 20 -11.975 -5.121 13.098 141 2HD1 LEU 20 2HD1 LEU 20 -12.896 -4.304 14.356 142 3HD1 LEU 20 3HD1 LEU 20 -13.735 -5.252 13.132 143 1HD2 LEU 20 1HD2 LEU 20 -14.476 -2.686 13.884 144 2HD2 LEU 20 2HD2 LEU 20 -13.963 -1.414 12.774 145 3HD2 LEU 20 3HD2 LEU 20 -15.069 -2.673 12.223 146 H ASN 21 H ASN 21 -11.640 -1.144 10.448 147 HA ASN 21 HA ASN 21 -14.076 -2.129 10.428 148 1HB ASN 21 1HB ASN 21 -13.084 0.376 9.361 149 2HB ASN 21 2HB ASN 21 -14.366 -0.193 8.271 150 1HD2 ASN 21 HD2 ASN 21 -15.839 1.526 8.982 151 H GLN 22 H GLN 22 -14.908 -3.815 9.615 152 HA GLN 22 HA GLN 22 -15.121 -5.583 8.136 153 1HB GLN 22 1HB GLN 22 -16.723 -4.952 6.339 154 2HB GLN 22 2HB GLN 22 -17.136 -4.169 7.845 155 1HG GLN 22 1HG GLN 22 -16.464 -2.034 7.088 156 2HG GLN 22 2HG GLN 22 -15.346 -2.690 5.896 157 1HE2 GLN 22 1HE2 GLN 22 -16.493 -4.188 4.196 158 2HE2 GLN 22 2HE2 GLN 22 -18.226 -4.047 3.969 159 H THR 23 H THR 23 -12.277 -3.860 7.269 160 HA THR 23 HA THR 23 -12.483 -6.582 6.346 161 HB THR 23 HB THR 23 -10.057 -5.908 7.939 162 HG1 THR 23 HG1 THR 23 -9.943 -4.032 7.201 163 1HG2 THR 23 1HG2 THR 23 -9.761 -7.814 6.549 164 2HG2 THR 23 2HG2 THR 23 -10.624 -7.086 5.194 165 3HG2 THR 23 3HG2 THR 23 -8.999 -6.536 5.603 166 H SER 24 H SER 24 -12.654 -4.935 9.181 167 HA SER 24 HA SER 24 -11.714 -5.135 11.124 168 1HB SER 24 1HB SER 24 -12.211 -7.029 12.577 169 2HB SER 24 2HB SER 24 -13.615 -6.541 11.620 170 HG SER 24 HG SER 24 -13.350 -8.760 11.648 171 H TYR 25 H TYR 25 -9.891 -5.913 12.118 172 HA TYR 25 HA TYR 25 -9.037 -4.328 10.102 173 1HB TYR 25 2HB TYR 25 -7.133 -3.687 11.643 174 2HB TYR 25 1HB TYR 25 -8.580 -4.030 12.577 175 HD1 TYR 25 HD1 TYR 25 -5.306 -5.531 11.429 176 HD2 TYR 25 HD2 TYR 25 -8.634 -5.750 14.249 177 HE1 TYR 25 HE1 TYR 25 -4.124 -7.350 12.687 178 HE2 TYR 25 HE2 TYR 25 -7.443 -7.564 15.511 179 HH TYR 25 HH TYR 25 -5.657 -9.284 15.085 180 H LEU 26 H LEU 26 -6.900 -3.966 9.245 181 HA LEU 26 HA LEU 26 -6.787 -6.389 7.625 182 1HB LEU 26 2HB LEU 26 -7.105 -4.894 5.781 183 2HB LEU 26 1HB LEU 26 -8.168 -4.454 7.137 184 HG LEU 26 HG LEU 26 -5.628 -2.922 6.655 185 1HD1 LEU 26 1HD1 LEU 26 -8.459 -2.288 5.756 186 2HD1 LEU 26 2HD1 LEU 26 -7.077 -1.198 5.663 187 3HD1 LEU 26 3HD1 LEU 26 -7.111 -2.662 4.681 188 1HD2 LEU 26 1HD2 LEU 26 -6.163 -2.550 8.818 189 2HD2 LEU 26 2HD2 LEU 26 -7.084 -1.311 7.954 190 3HD2 LEU 26 3HD2 LEU 26 -7.899 -2.781 8.546 191 H CYS 27 H CYS 27 -4.722 -5.047 5.762 192 HA CYS 27 HA CYS 27 -3.815 -3.228 7.804 193 1HB CYS 27 1HB CYS 27 -1.769 -4.918 6.381 194 2HB CYS 27 2HB CYS 27 -1.336 -3.373 7.128 195 H VAL 28 H VAL 28 -3.463 -1.286 7.136 196 HA VAL 28 HA VAL 28 -3.938 -0.703 4.323 197 HB VAL 28 HB VAL 28 -2.953 1.658 5.229 198 1HG1 VAL 28 1HG2 VAL 28 -5.826 0.804 5.797 199 2HG1 VAL 28 2HG2 VAL 28 -5.246 2.425 5.416 200 3HG1 VAL 28 3HG2 VAL 28 -5.217 1.166 4.182 201 1HG2 VAL 28 1HG1 VAL 28 -3.896 0.225 7.731 202 2HG2 VAL 28 2HG1 VAL 28 -2.457 1.219 7.468 203 3HG2 VAL 28 3HG1 VAL 28 -4.044 1.968 7.567 204 H CYS 29 H CYS 29 -2.013 -0.015 2.721 205 HA CYS 29 HA CYS 29 -0.160 1.369 4.459 206 1HB CYS 29 1HB CYS 29 -0.131 0.342 1.659 207 2HB CYS 29 2HB CYS 29 1.126 1.450 2.163 208 H ALA 30 H ALA 30 0.686 3.083 2.756 209 HA ALA 30 HA ALA 30 -0.880 5.311 2.561 210 1HB ALA 30 1HB ALA 30 0.871 6.358 1.465 211 2HB ALA 30 2HB ALA 30 1.698 4.865 1.913 212 3HB ALA 30 3HB ALA 30 1.057 5.062 0.282 213 H GLU 31 H GLU 31 -2.812 5.510 1.496 214 HA GLU 31 HA GLU 31 -3.354 2.966 1.177 215 1HB GLU 31 2HB GLU 31 -4.738 5.126 1.907 216 2HB GLU 31 1HB GLU 31 -5.541 4.862 0.383 217 1HG GLU 31 1HG GLU 31 -5.692 2.319 1.279 218 2HG GLU 31 2HG GLU 31 -5.543 3.108 2.846 219 H GLY 32 H GLY 32 -2.438 4.535 -1.349 220 1HA GLY 32 1HA GLY 32 -3.557 2.320 -3.029 221 2HA GLY 32 2HA GLY 32 -2.780 3.747 -3.781 222 H PHE 33 H PHE 33 -1.543 2.300 -0.796 223 HA PHE 33 HA PHE 33 0.290 0.541 -2.261 224 1HB PHE 33 2HB PHE 33 0.447 2.289 0.180 225 2HB PHE 33 1HB PHE 33 1.272 0.731 0.313 226 HD1 PHE 33 HD1 PHE 33 3.493 0.566 -0.346 227 HD2 PHE 33 HD2 PHE 33 0.919 3.566 -2.186 228 HE1 PHE 33 HE1 PHE 33 5.478 1.518 -1.568 229 HE2 PHE 33 HE2 PHE 33 2.904 4.529 -3.399 230 HZ PHE 33 HZ PHE 33 5.181 3.492 -3.103 231 H ALA 34 H ALA 34 0.056 -1.670 -1.792 232 HA ALA 34 HA ALA 34 -2.003 -2.633 -0.154 233 1HB ALA 34 1HB ALA 34 -3.928 -1.702 -1.006 234 2HB ALA 34 2HB ALA 34 -2.959 -0.755 -2.133 235 3HB ALA 34 3HB ALA 34 -3.557 -2.359 -2.592 236 HA PRO 35 HA PRO 35 -0.947 -6.141 -0.685 237 1HB PRO 35 1HB PRO 35 -3.027 -7.688 -2.058 238 2HB PRO 35 2HB PRO 35 -2.649 -7.649 -0.341 239 1HG PRO 35 1HG PRO 35 -4.898 -6.422 -1.618 240 2HG PRO 35 2HG PRO 35 -4.428 -6.259 0.069 241 1HD PRO 35 1HD PRO 35 -4.216 -4.242 -2.027 242 2HD PRO 35 2HD PRO 35 -3.786 -4.074 -0.316 243 H ILE 36 H ILE 36 0.548 -5.234 -2.346 244 HA ILE 36 HA ILE 36 1.209 -6.289 -4.646 245 HB ILE 36 HB ILE 36 2.919 -5.448 -3.232 246 1HG1 ILE 36 1HG1 ILE 36 3.596 -7.625 -4.619 247 2HG1 ILE 36 2HG1 ILE 36 4.700 -6.664 -3.676 248 1HG2 ILE 36 1HG2 ILE 36 2.027 -7.494 -1.200 249 2HG2 ILE 36 2HG2 ILE 36 3.575 -6.658 -1.057 250 3HG2 ILE 36 3HG2 ILE 36 2.065 -5.740 -1.090 251 1HD1 ILE 36 1HD1 ILE 36 4.823 -8.232 -1.960 252 2HD1 ILE 36 2HD1 ILE 36 3.158 -8.749 -2.242 253 3HD1 ILE 36 3HD1 ILE 36 4.444 -9.328 -3.312 254 HA PRO 37 HA PRO 37 1.217 -10.971 -4.974 255 1HB PRO 37 2HB PRO 37 4.109 -10.274 -5.048 256 2HB PRO 37 1HB PRO 37 3.225 -11.360 -6.120 257 1HG PRO 37 1HG PRO 37 3.927 -8.680 -6.746 258 2HG PRO 37 2HG PRO 37 2.716 -9.627 -7.604 259 1HD PRO 37 1HD PRO 37 2.218 -7.312 -5.987 260 2HD PRO 37 2HD PRO 37 1.005 -8.377 -6.688 261 H HIS 38 H HIS 38 1.457 -9.681 -2.045 262 HA HIS 38 HA HIS 38 0.468 -12.193 -2.035 263 1HB HIS 38 1HB HIS 38 1.928 -13.412 -0.365 264 2HB HIS 38 2HB HIS 38 2.422 -13.433 -2.064 265 HD1 HIS 38 HD1 HIS 38 4.741 -14.210 -0.407 266 HD2 HIS 38 HD2 HIS 38 3.660 -10.176 -0.992 267 HE1 HIS 38 HE1 HIS 38 6.813 -12.805 0.153 268 H GLU 39 H GLU 39 2.285 -11.550 0.540 269 HA GLU 39 HA GLU 39 0.450 -12.536 2.153 270 1HB GLU 39 2HB GLU 39 2.077 -10.202 3.230 271 2HB GLU 39 1HB GLU 39 1.403 -11.512 4.212 272 1HG GLU 39 1HG GLU 39 3.033 -12.652 2.086 273 2HG GLU 39 2HG GLU 39 3.965 -11.422 2.937 274 HA PRO 40 HA PRO 40 -2.964 -9.576 2.678 275 1HB PRO 40 1HB PRO 40 -3.801 -11.222 4.935 276 2HB PRO 40 2HB PRO 40 -4.606 -11.042 3.381 277 1HG PRO 40 1HG PRO 40 -3.115 -13.327 4.320 278 2HG PRO 40 2HG PRO 40 -3.871 -13.127 2.743 279 1HD PRO 40 1HD PRO 40 -1.032 -13.044 3.381 280 2HD PRO 40 2HD PRO 40 -1.782 -12.880 1.783 281 H HIS 41 H HIS 41 -0.293 -8.910 3.766 282 HA HIS 41 HA HIS 41 -2.213 -7.148 5.083 283 1HB HIS 41 2HB HIS 41 -0.148 -6.071 6.298 284 2HB HIS 41 1HB HIS 41 -0.802 -7.565 6.973 285 HD1 HIS 41 HD1 HIS 41 0.620 -9.834 5.348 286 HD2 HIS 41 HD2 HIS 41 2.414 -6.183 6.515 287 HE1 HIS 41 HE1 HIS 41 3.163 -10.213 5.255 288 H ARG 42 H ARG 42 -0.351 -7.575 2.562 289 HA ARG 42 HA ARG 42 1.415 -5.369 3.208 290 1HB ARG 42 1HB ARG 42 1.564 -7.348 0.914 291 2HB ARG 42 2HB ARG 42 2.493 -5.878 0.834 292 1HG ARG 42 2HG ARG 42 3.866 -6.358 2.578 293 2HG ARG 42 1HG ARG 42 2.658 -7.348 3.402 294 1HD ARG 42 2HD ARG 42 3.628 -9.246 2.430 295 2HD ARG 42 1HD ARG 42 3.373 -8.570 0.817 296 HE ARG 42 HE ARG 42 5.548 -7.517 0.985 297 1HH1 ARG 42 2HH1 ARG 42 5.797 -10.804 2.224 298 2HH1 ARG 42 1HH1 ARG 42 7.378 -10.180 1.892 299 1HH2 ARG 42 1HH2 ARG 42 5.850 -7.562 4.085 300 2HH2 ARG 42 2HH2 ARG 42 7.298 -8.511 4.036 301 H CYS 43 H CYS 43 1.876 -3.529 2.199 302 HA CYS 43 HA CYS 43 0.694 -3.085 -0.466 303 1HB CYS 43 2HB CYS 43 2.183 -0.969 -0.326 304 2HB CYS 43 1HB CYS 43 0.768 -1.148 0.696 305 H GLN 44 H GLN 44 2.028 -2.822 -2.369 306 HA GLN 44 HA GLN 44 4.646 -2.071 -1.968 307 1HB GLN 44 2HB GLN 44 4.396 -4.967 -1.983 308 2HB GLN 44 1HB GLN 44 5.210 -4.475 -3.456 309 1HG GLN 44 1HG GLN 44 7.135 -4.330 -2.233 310 2HG GLN 44 2HG GLN 44 6.449 -2.915 -1.443 311 1HE2 GLN 44 2HE2 GLN 44 5.944 -6.484 -1.337 312 2HE2 GLN 44 1HE2 GLN 44 6.723 -6.629 0.228 313 H MET 45 H MET 45 4.390 -0.580 -4.314 314 HA MET 45 HA MET 45 2.292 -0.610 -2.674 315 1HB MET 45 1HB MET 45 0.990 0.797 -4.554 316 2HB MET 45 2HB MET 45 2.438 1.417 -3.808 317 1HG MET 45 1HG MET 45 2.248 1.466 -6.423 318 2HG MET 45 2HG MET 45 3.777 0.992 -5.702 319 1HE MET 45 1HE MET 45 3.810 -1.257 -8.754 320 2HE MET 45 2HE MET 45 2.921 0.269 -8.775 321 3HE MET 45 3HE MET 45 4.461 0.152 -7.894 322 H PHE 46 H PHE 46 -0.346 -0.716 -3.292 323 HA PHE 46 HA PHE 46 -1.107 -2.716 -5.023 324 1HB PHE 46 2HB PHE 46 -2.787 -1.265 -4.058 325 2HB PHE 46 1HB PHE 46 -2.034 0.183 -4.668 326 HD1 PHE 46 HD1 PHE 46 -2.046 0.573 -7.263 327 HD2 PHE 46 HD2 PHE 46 -4.517 -2.398 -5.241 328 HE1 PHE 46 HE1 PHE 46 -3.603 0.522 -9.240 329 HE2 PHE 46 HE2 PHE 46 -6.075 -2.447 -7.219 330 HZ PHE 46 HZ PHE 46 -5.620 -0.985 -9.217 331 H CYS 47 H CYS 47 -0.012 -3.323 -6.863 332 HA CYS 47 HA CYS 47 -0.698 -1.266 -8.863 333 1HB CYS 47 2HB CYS 47 1.595 -1.182 -9.148 334 2HB CYS 47 1HB CYS 47 1.854 -2.869 -8.737 335 H ASN 48 H ASN 48 -2.738 -2.380 -8.835 336 HA ASN 48 HA ASN 48 -2.736 -5.177 -9.571 337 1HB ASN 48 2HB ASN 48 -4.597 -4.133 -8.201 338 2HB ASN 48 1HB ASN 48 -5.067 -3.170 -9.600 339 1HD2 ASN 48 HD2 ASN 48 -6.762 -6.395 -8.682 340 H GLN 49 H GLN 49 -2.953 -6.113 -11.539 341 HA GLN 49 HA GLN 49 -1.830 -4.178 -13.421 342 1HB GLN 49 2HB GLN 49 -1.922 -7.196 -13.844 343 2HB GLN 49 1HB GLN 49 -0.741 -6.069 -14.462 344 1HG GLN 49 2HG GLN 49 -0.260 -5.640 -11.847 345 2HG GLN 49 1HG GLN 49 -0.956 -7.249 -11.690 346 1HE2 GLN 49 1HE2 GLN 49 1.567 -5.343 -13.345 347 2HE2 GLN 49 2HE2 GLN 49 2.215 -6.683 -14.273 348 H THR 50 H THR 50 -3.533 -3.574 -15.598 349 HA THR 50 HA THR 50 -2.141 -6.140 -16.096 350 HB THR 50 HB THR 50 -4.082 -4.617 -17.866 351 HG1 THR 50 HG1 THR 50 -4.489 -6.947 -18.289 352 1HG2 THR 50 1HG2 THR 50 -3.110 -6.490 -19.614 353 2HG2 THR 50 2HG2 THR 50 -1.618 -6.055 -18.781 354 3HG2 THR 50 3HG2 THR 50 -2.563 -4.813 -19.604 355 H ALA 51 H ALA 51 0.083 -5.357 -15.861 356 HA ALA 51 HA ALA 51 0.932 -3.487 -14.776 357 1HB ALA 51 1HB ALA 51 2.262 -2.254 -16.361 358 2HB ALA 51 2HB ALA 51 0.996 -2.295 -17.589 359 3HB ALA 51 3HB ALA 51 1.923 -3.753 -17.229 360 H CYS 52 H CYS 52 -0.938 -1.972 -13.498 361 HA CYS 52 HA CYS 52 -0.120 0.416 -14.611 362 1HB CYS 52 2HB CYS 52 0.533 0.985 -12.422 363 2HB CYS 52 1HB CYS 52 -0.388 -0.459 -12.059 364 HA PRO 53 HA PRO 53 4.181 0.162 -15.450 365 1HB PRO 53 2HB PRO 53 3.996 2.299 -17.239 366 2HB PRO 53 1HB PRO 53 4.116 0.617 -17.756 367 1HG PRO 53 2HG PRO 53 1.755 2.420 -17.721 368 2HG PRO 53 1HG PRO 53 2.038 0.979 -18.714 369 1HD PRO 53 2HD PRO 53 0.363 1.160 -16.393 370 2HD PRO 53 1HD PRO 53 0.838 -0.340 -17.212 371 H ALA 54 H ALA 54 5.433 1.866 -14.538 372 HA ALA 54 HA ALA 54 5.333 4.467 -14.267 373 1HB ALA 54 1HB ALA 54 6.281 3.479 -16.993 374 2HB ALA 54 2HB ALA 54 7.125 3.027 -15.511 375 3HB ALA 54 3HB ALA 54 7.006 4.725 -15.976 376 H ASP 55 H ASP 55 5.548 5.414 -17.156 377 HA ASP 55 HA ASP 55 4.402 7.231 -17.932 378 1HB ASP 55 2HB ASP 55 3.659 5.666 -19.518 379 2HB ASP 55 1HB ASP 55 2.793 4.722 -18.322 380 H CYS 56 H CYS 56 4.430 7.461 -15.221 381 HA CYS 56 HA CYS 56 2.489 8.546 -13.981 382 1HB CYS 56 2HB CYS 56 4.394 10.544 -15.016 383 2HB CYS 56 1HB CYS 56 4.154 9.937 -13.364 384 H ASP 57 H ASP 57 2.818 11.427 -14.758 385 HA ASP 57 HA ASP 57 0.105 11.268 -15.737 386 1HB ASP 57 1HB ASP 57 1.464 12.909 -13.935 387 2HB ASP 57 2HB ASP 57 1.322 13.976 -15.324 388 HA PRO 58 HA PRO 58 1.436 14.319 -19.076 389 1HB PRO 58 2HB PRO 58 -0.716 16.147 -18.495 390 2HB PRO 58 1HB PRO 58 -0.528 15.130 -19.902 391 1HG PRO 58 2HG PRO 58 -2.352 14.756 -17.637 392 2HG PRO 58 1HG PRO 58 -2.338 13.920 -19.185 393 1HD PRO 58 2HD PRO 58 -1.453 12.873 -16.651 394 2HD PRO 58 1HD PRO 58 -1.312 12.082 -18.224 395 H ASN 59 H ASN 59 -0.280 15.858 -16.155 396 HA ASN 59 HA ASN 59 1.480 17.818 -17.329 397 1HB ASN 59 1HB ASN 59 -1.277 17.680 -16.868 398 2HB ASN 59 2HB ASN 59 -0.748 18.793 -15.593 399 1HD2 ASN 59 1HD2 ASN 59 -2.124 18.734 -18.290 400 2HD2 ASN 59 2HD2 ASN 59 -1.649 20.260 -19.032 401 H THR 60 H THR 60 0.835 16.499 -14.472 402 HA THR 60 HA THR 60 1.457 18.977 -12.983 403 HB THR 60 HB THR 60 -0.017 18.345 -11.279 404 HG1 THR 60 HG1 THR 60 -0.041 16.462 -10.428 405 1HG2 THR 60 1HG2 THR 60 -1.221 16.230 -13.006 406 2HG2 THR 60 2HG2 THR 60 -1.012 17.798 -13.789 407 3HG2 THR 60 3HG2 THR 60 -1.965 17.665 -12.311 408 H GLN 61 H GLN 61 3.716 17.092 -13.778 409 HA GLN 61 HA GLN 61 3.371 14.728 -12.692 410 1HB GLN 61 2HB GLN 61 5.843 14.275 -12.691 411 2HB GLN 61 1HB GLN 61 5.350 15.181 -14.102 412 1HG GLN 61 2HG GLN 61 5.950 17.307 -12.589 413 2HG GLN 61 1HG GLN 61 6.916 16.142 -11.691 414 1HE2 GLN 61 1HE2 GLN 61 8.636 17.621 -12.486 415 2HE2 GLN 61 2HE2 GLN 61 9.555 16.772 -13.715 416 H ALA 62 H ALA 62 2.317 15.974 -10.485 417 HA ALA 62 HA ALA 62 3.616 15.355 -8.261 418 1HB ALA 62 1HB ALA 62 1.006 15.600 -8.877 419 2HB ALA 62 2HB ALA 62 1.531 14.961 -7.318 420 3HB ALA 62 3HB ALA 62 1.032 13.858 -8.601 421 H SER 63 H SER 63 5.120 13.444 -10.028 422 HA SER 63 HA SER 63 3.679 10.966 -9.957 423 1HB SER 63 2HB SER 63 2.210 11.202 -11.819 424 2HB SER 63 1HB SER 63 2.164 12.847 -11.187 425 HG SER 63 HG SER 63 2.846 13.380 -13.015 426 H CYS 64 H CYS 64 6.694 10.881 -10.105 427 HA CYS 64 HA CYS 64 4.663 8.968 -11.019 428 1HB CYS 64 2HB CYS 64 7.351 9.026 -12.072 429 2HB CYS 64 1HB CYS 64 7.239 7.605 -11.055 430 H GLU 65 H GLU 65 3.896 7.824 -9.340 431 HA GLU 65 HA GLU 65 4.491 9.256 -7.040 432 1HB GLU 65 1HB GLU 65 2.295 8.265 -7.288 433 2HB GLU 65 2HB GLU 65 2.966 6.659 -7.407 434 1HG GLU 65 2HG GLU 65 2.138 6.775 -5.169 435 2HG GLU 65 1HG GLU 65 3.869 7.030 -4.981 436 H CYS 66 H CYS 66 4.626 5.996 -7.258 437 HA CYS 66 HA CYS 66 5.390 5.773 -4.699 438 1HB CYS 66 1HB CYS 66 5.458 3.241 -6.202 439 2HB CYS 66 2HB CYS 66 4.306 3.818 -4.993 440 HA PRO 67 HA PRO 67 9.398 5.992 -4.288 441 1HB PRO 67 1HB PRO 67 9.020 8.765 -5.173 442 2HB PRO 67 2HB PRO 67 10.492 7.770 -5.217 443 1HG PRO 67 2HG PRO 67 8.783 8.473 -7.437 444 2HG PRO 67 1HG PRO 67 10.213 7.450 -7.476 445 1HD PRO 67 2HD PRO 67 7.474 6.587 -7.763 446 2HD PRO 67 1HD PRO 67 8.909 5.564 -7.688 447 H GLU 68 H GLU 68 9.093 8.204 -2.551 448 HA GLU 68 HA GLU 68 8.964 5.986 -1.320 449 1HB GLU 68 2HB GLU 68 7.705 7.137 0.723 450 2HB GLU 68 1HB GLU 68 9.247 7.768 0.195 451 1HG GLU 68 2HG GLU 68 8.076 9.499 -1.191 452 2HG GLU 68 1HG GLU 68 6.520 8.863 -0.664 453 H GLY 69 H GLY 69 6.731 4.877 -3.102 454 1HA GLY 69 2HA GLY 69 7.620 3.791 -0.485 455 2HA GLY 69 1HA GLY 69 7.138 2.798 -1.897 456 H TYR 70 H TYR 70 8.547 4.438 -3.898 457 HA TYR 70 HA TYR 70 9.533 2.664 -5.069 458 1HB TYR 70 2HB TYR 70 11.848 3.300 -5.397 459 2HB TYR 70 1HB TYR 70 10.957 4.769 -5.041 460 HD1 TYR 70 HD1 TYR 70 13.667 2.555 -4.027 461 HD2 TYR 70 HD2 TYR 70 11.043 5.762 -2.666 462 HE1 TYR 70 HE1 TYR 70 15.214 2.997 -2.094 463 HE2 TYR 70 HE2 TYR 70 12.632 6.259 -0.779 464 HH TYR 70 HH TYR 70 15.240 5.819 -0.355 465 H ILE 71 H ILE 71 9.822 -0.016 -4.239 466 HA ILE 71 HA ILE 71 12.342 1.370 -4.943 467 HB ILE 71 HB ILE 71 11.870 -1.502 -4.131 468 1HG1 ILE 71 1HG1 ILE 71 14.228 -0.988 -3.089 469 2HG1 ILE 71 2HG1 ILE 71 13.805 0.680 -3.374 470 1HG2 ILE 71 1HG2 ILE 71 13.024 -2.199 -5.978 471 2HG2 ILE 71 2HG2 ILE 71 14.438 -1.651 -5.076 472 3HG2 ILE 71 3HG2 ILE 71 13.704 -0.602 -6.292 473 1HD1 ILE 71 1HD1 ILE 71 12.757 -1.187 -1.328 474 2HD1 ILE 71 2HD1 ILE 71 11.477 -0.324 -2.180 475 3HD1 ILE 71 3HD1 ILE 71 12.742 0.576 -1.341 476 H LEU 72 H LEU 72 10.241 1.875 -6.562 477 HA LEU 72 HA LEU 72 10.283 1.543 -9.015 478 1HB LEU 72 2HB LEU 72 11.575 3.571 -7.560 479 2HB LEU 72 1HB LEU 72 12.771 3.083 -8.732 480 HG LEU 72 HG LEU 72 11.187 3.316 -10.569 481 1HD1 LEU 72 1HD2 LEU 72 9.155 4.863 -9.569 482 2HD1 LEU 72 2HD2 LEU 72 9.425 3.700 -8.253 483 3HD1 LEU 72 3HD2 LEU 72 9.051 3.107 -9.877 484 1HD2 LEU 72 1HD1 LEU 72 12.242 5.510 -8.915 485 2HD2 LEU 72 2HD1 LEU 72 10.815 5.997 -9.831 486 3HD2 LEU 72 3HD1 LEU 72 12.220 5.341 -10.672 487 H ASP 73 H ASP 73 11.214 -0.493 -10.391 488 HA ASP 73 HA ASP 73 11.601 1.713 -11.712 489 1HB ASP 73 2HB ASP 73 13.595 2.314 -10.385 490 2HB ASP 73 1HB ASP 73 14.382 0.799 -10.834 491 H ASP 74 H ASP 74 11.322 -1.311 -11.794 492 HA ASP 74 HA ASP 74 11.419 -2.153 -14.346 493 1HB ASP 74 2HB ASP 74 8.972 -1.171 -12.833 494 2HB ASP 74 1HB ASP 74 8.811 -1.964 -14.399 495 H GLY 75 H GLY 75 8.931 -0.765 -15.430 496 1HA GLY 75 1HA GLY 75 9.623 1.101 -17.240 497 2HA GLY 75 2HA GLY 75 8.197 1.311 -16.222 498 H PHE 76 H PHE 76 8.553 2.004 -14.334 499 HA PHE 76 HA PHE 76 10.496 3.723 -13.232 500 1HB PHE 76 2HB PHE 76 9.555 4.859 -15.605 501 2HB PHE 76 1HB PHE 76 8.575 5.685 -14.407 502 HD1 PHE 76 HD1 PHE 76 12.179 4.466 -14.373 503 HD2 PHE 76 HD2 PHE 76 9.432 7.835 -14.011 504 HE1 PHE 76 HE1 PHE 76 14.114 5.986 -13.845 505 HE2 PHE 76 HE2 PHE 76 11.365 9.357 -13.484 506 HZ PHE 76 HZ PHE 76 13.707 8.432 -13.397 507 H ILE 77 H ILE 77 8.885 2.187 -11.940 508 HA ILE 77 HA ILE 77 6.810 2.455 -13.594 509 HB ILE 77 HB ILE 77 7.875 0.468 -12.648 510 1HG1 ILE 77 1HG1 ILE 77 4.872 0.235 -12.816 511 2HG1 ILE 77 2HG1 ILE 77 5.927 0.391 -14.197 512 1HG2 ILE 77 1HG2 ILE 77 7.154 1.267 -10.236 513 2HG2 ILE 77 2HG2 ILE 77 7.410 -0.439 -10.625 514 3HG2 ILE 77 3HG2 ILE 77 5.763 0.218 -10.569 515 1HD1 ILE 77 1HD1 ILE 77 5.202 -2.030 -13.294 516 2HD1 ILE 77 2HD1 ILE 77 6.558 -1.784 -12.194 517 3HD1 ILE 77 3HD1 ILE 77 6.822 -1.766 -13.938 518 H CYS 78 H CYS 78 4.246 1.907 -12.715 519 HA CYS 78 HA CYS 78 3.231 1.265 -10.715 520 1HB CYS 78 2HB CYS 78 3.968 1.949 -8.586 521 2HB CYS 78 1HB CYS 78 5.449 2.055 -9.510 522 H THR 79 H THR 79 2.121 2.507 -12.660 523 HA THR 79 HA THR 79 -0.076 3.716 -11.511 524 HB THR 79 HB THR 79 1.186 5.682 -10.885 525 HG1 THR 79 HG1 THR 79 -0.018 6.195 -13.350 526 1HG2 THR 79 1HG2 THR 79 2.244 5.905 -13.744 527 2HG2 THR 79 2HG2 THR 79 3.169 5.152 -12.445 528 3HG2 THR 79 3HG2 THR 79 2.735 6.859 -12.345 529 H ASP 80 H ASP 80 0.273 1.846 -13.843 530 HA ASP 80 HA ASP 80 -1.825 1.677 -14.831 531 1HB ASP 80 2HB ASP 80 -2.345 0.940 -12.669 532 2HB ASP 80 1HB ASP 80 -1.811 2.450 -11.923 533 H ILE 81 H ILE 81 -1.204 4.066 -16.234 534 HA ILE 81 HA ILE 81 -3.442 5.457 -16.330 535 HB ILE 81 HB ILE 81 -1.793 5.311 -18.140 536 1HG1 ILE 81 2HG1 ILE 81 -4.468 5.904 -18.411 537 2HG1 ILE 81 1HG1 ILE 81 -3.219 6.276 -19.573 538 1HG2 ILE 81 1HG2 ILE 81 -2.137 3.482 -19.910 539 2HG2 ILE 81 2HG2 ILE 81 -3.109 2.630 -18.708 540 3HG2 ILE 81 3HG2 ILE 81 -1.407 2.962 -18.389 541 1HD1 ILE 81 1HD1 ILE 81 -3.741 4.364 -20.933 542 2HD1 ILE 81 2HD1 ILE 81 -5.314 5.000 -20.455 543 3HD1 ILE 81 3HD1 ILE 81 -4.651 3.582 -19.642 544 H ASP 82 H ASP 82 -4.153 2.759 -15.065 545 HA ASP 82 HA ASP 82 -4.581 1.036 -17.262 546 1HB ASP 82 1HB ASP 82 -4.201 0.357 -14.763 547 2HB ASP 82 2HB ASP 82 -5.937 0.571 -14.554 548 H GLU 83 H GLU 83 -7.185 2.468 -15.081 549 HA GLU 83 HA GLU 83 -8.611 0.202 -15.661 550 1HB GLU 83 1HB GLU 83 -9.085 2.568 -14.204 551 2HB GLU 83 2HB GLU 83 -10.402 2.551 -15.353 552 1HG GLU 83 1HG GLU 83 -9.711 0.125 -13.626 553 2HG GLU 83 2HG GLU 83 -10.872 1.352 -13.131 554 H1 NAG 121 H1 ASN 21 -15.710 1.878 11.908 555 H2 NAG 121 H2 ASN 21 -14.079 3.290 9.865 556 H3 NAG 121 H3 ASN 21 -14.230 5.454 11.326 557 H4 NAG 121 H4 ASN 21 -16.603 5.911 12.063 558 H5 NAG 121 H5 ASN 21 -17.382 3.262 12.740 559 1H6 NAG 121 1H6 ASN 21 -18.550 5.201 10.680 560 2H6 NAG 121 2H6 ASN 21 -18.941 5.171 12.399 561 1H8 NAG 121 1H8 ASN 21 -12.096 1.102 11.955 562 2H8 NAG 121 2H8 ASN 21 -11.598 1.509 10.301 563 3H8 NAG 121 3H8 ASN 21 -10.545 1.920 11.669 564 HN2 NAG 121 HN2 ASN 21 -13.824 2.816 12.753 565 HO4 NAG 121 HO4 ASN 21 -16.101 5.271 13.948 566 HO3 NAG 121 HO3 ASN 21 -15.953 6.160 9.988 567 HO6 NAG 121 H6 ASN 21 -20.350 4.060 10.917 568 H1 NAG 148 H1 ASN 48 -3.880 -6.038 -8.153 569 H2 NAG 148 H2 ASN 48 -6.241 -6.454 -6.472 570 H3 NAG 148 H3 ASN 48 -4.693 -7.671 -4.718 571 H4 NAG 148 H4 ASN 48 -3.648 -9.700 -6.034 572 H5 NAG 148 H5 ASN 48 -2.502 -7.764 -7.922 573 1H6 NAG 148 1H6 ASN 48 -3.278 -10.653 -7.823 574 2H6 NAG 148 2H6 ASN 48 -1.841 -9.900 -8.516 575 1H8 NAG 148 1H8 ASN 48 -2.945 -3.611 -4.703 576 2H8 NAG 148 2H8 ASN 48 -3.303 -4.996 -3.656 577 3H8 NAG 148 3H8 ASN 48 -1.687 -4.815 -4.370 578 HN2 NAG 148 HN2 ASN 48 -5.076 -4.680 -5.713 579 HO4 NAG 148 HO4 ASN 48 -1.705 -8.212 -6.141 580 HO3 NAG 148 HO3 ASN 48 -5.548 -9.688 -5.781 581 HO6 NAG 148 H6 ASN 48 -3.149 -10.709 -10.086 Start of MODEL 2 1 1H HIS 1 1H HIS 1 1.557 -11.428 27.374 2 2H HIS 1 2H HIS 1 2.538 -12.733 27.843 3 3H HIS 1 3H HIS 1 2.009 -11.609 29.001 4 HA HIS 1 HA HIS 1 4.028 -10.830 28.727 5 1HB HIS 1 1HB HIS 1 3.845 -12.176 26.051 6 2HB HIS 1 2HB HIS 1 4.923 -10.802 26.152 7 HD2 HIS 1 HD2 HIS 1 4.351 -13.502 28.898 8 HE1 HIS 1 HE1 HIS 1 8.508 -13.636 27.831 9 HE2 HIS 1 HE2 HIS 1 6.736 -14.600 29.431 10 H MET 2 H MET 2 1.539 -10.212 26.213 11 HA MET 2 HA MET 2 3.480 -8.401 25.069 12 1HB MET 2 2HB MET 2 0.724 -9.388 24.252 13 2HB MET 2 1HB MET 2 1.406 -8.004 23.428 14 1HG MET 2 1HG MET 2 3.332 -10.244 23.675 15 2HG MET 2 2HG MET 2 1.887 -10.687 22.783 16 1HE MET 2 1HE MET 2 3.420 -10.950 20.304 17 2HE MET 2 2HE MET 2 4.461 -10.982 21.738 18 3HE MET 2 3HE MET 2 4.892 -9.964 20.352 19 H GLU 3 H GLU 3 3.230 -5.976 24.879 20 HA GLU 3 HA GLU 3 1.653 -4.208 24.744 21 1HB GLU 3 1HB GLU 3 0.885 -6.262 22.617 22 2HB GLU 3 2HB GLU 3 0.737 -4.512 22.477 23 1HG GLU 3 1HG GLU 3 3.245 -6.214 22.427 24 2HG GLU 3 2HG GLU 3 2.760 -4.921 21.334 25 HA PRO 4 HA PRO 4 -2.554 -4.921 26.123 26 1HB PRO 4 1HB PRO 4 -3.559 -2.539 24.957 27 2HB PRO 4 2HB PRO 4 -2.927 -2.684 26.594 28 1HG PRO 4 1HG PRO 4 -1.673 -1.453 24.220 29 2HG PRO 4 2HG PRO 4 -1.234 -1.262 25.924 30 1HD PRO 4 2HD PRO 4 0.157 -2.814 23.958 31 2HD PRO 4 1HD PRO 4 0.472 -2.806 25.701 32 H VAL 5 H VAL 5 -1.797 -6.255 23.774 33 HA VAL 5 HA VAL 5 -1.624 -5.025 21.536 34 HB VAL 5 HB VAL 5 -3.348 -7.492 21.478 35 1HG1 VAL 5 1HG2 VAL 5 -1.448 -7.873 19.530 36 2HG1 VAL 5 2HG2 VAL 5 -3.027 -7.144 19.242 37 3HG1 VAL 5 3HG2 VAL 5 -1.616 -6.117 19.499 38 1HG2 VAL 5 1HG1 VAL 5 -0.590 -8.281 21.368 39 2HG2 VAL 5 2HG1 VAL 5 -0.808 -7.291 22.808 40 3HG2 VAL 5 3HG1 VAL 5 -1.805 -8.722 22.565 41 H ASP 6 H ASP 6 -2.612 -3.698 20.300 42 HA ASP 6 HA ASP 6 -4.902 -2.776 19.630 43 1HB ASP 6 1HB ASP 6 -4.374 -3.083 17.298 44 2HB ASP 6 2HB ASP 6 -2.826 -3.234 18.092 45 HA PRO 7 HA PRO 7 -7.553 -5.280 17.373 46 1HB PRO 7 1HB PRO 7 -8.935 -2.754 17.115 47 2HB PRO 7 2HB PRO 7 -9.616 -4.299 17.603 48 1HG PRO 7 1HG PRO 7 -9.072 -1.992 19.282 49 2HG PRO 7 2HG PRO 7 -9.813 -3.516 19.754 50 1HD PRO 7 1HD PRO 7 -7.120 -2.599 20.356 51 2HD PRO 7 2HD PRO 7 -7.867 -4.131 20.836 52 H CYS 8 H CYS 8 -7.401 -1.720 17.276 53 HA CYS 8 HA CYS 8 -5.320 -1.953 15.215 54 1HB CYS 8 2HB CYS 8 -7.587 -0.465 15.275 55 2HB CYS 8 1HB CYS 8 -6.497 0.693 16.038 56 H PHE 9 H PHE 9 -5.469 -1.486 18.528 57 HA PHE 9 HA PHE 9 -4.380 0.816 19.176 58 1HB PHE 9 1HB PHE 9 -4.927 -1.090 20.743 59 2HB PHE 9 2HB PHE 9 -3.318 -1.740 20.405 60 HD1 PHE 9 HD1 PHE 9 -5.086 1.276 21.791 61 HD2 PHE 9 HD2 PHE 9 -1.344 -0.939 21.479 62 HE1 PHE 9 HE1 PHE 9 -4.066 2.756 23.557 63 HE2 PHE 9 HE2 PHE 9 -0.321 0.537 23.241 64 HZ PHE 9 HZ PHE 9 -1.681 2.387 24.280 65 H ARG 10 H ARG 10 -2.570 -1.830 18.806 66 HA ARG 10 HA ARG 10 -0.051 -0.317 18.783 67 1HB ARG 10 2HB ARG 10 -0.732 -2.733 19.882 68 2HB ARG 10 1HB ARG 10 0.456 -3.146 18.648 69 1HG ARG 10 1HG ARG 10 0.800 -1.837 21.249 70 2HG ARG 10 2HG ARG 10 1.934 -2.576 20.143 71 1HD ARG 10 1HD ARG 10 1.267 0.355 20.114 72 2HD ARG 10 2HD ARG 10 2.809 -0.411 20.533 73 HE ARG 10 HE ARG 10 1.646 -0.319 17.813 74 1HH1 ARG 10 1HH1 ARG 10 4.650 -0.072 19.919 75 2HH1 ARG 10 2HH1 ARG 10 5.104 0.740 18.458 76 1HH2 ARG 10 1HH2 ARG 10 3.411 -1.639 16.527 77 2HH2 ARG 10 2HH2 ARG 10 4.870 -1.961 17.403 78 H ALA 11 H ALA 11 -1.946 -0.970 16.480 79 HA ALA 11 HA ALA 11 -1.079 -3.012 14.963 80 1HB ALA 11 1HB ALA 11 -3.126 -1.423 14.560 81 2HB ALA 11 2HB ALA 11 -2.062 -0.543 13.465 82 3HB ALA 11 3HB ALA 11 -2.452 -2.236 13.150 83 H ASN 12 H ASN 12 0.782 -3.568 14.021 84 HA ASN 12 HA ASN 12 2.685 -1.404 13.585 85 1HB ASN 12 1HB ASN 12 2.955 -4.454 13.317 86 2HB ASN 12 2HB ASN 12 4.298 -3.350 13.044 87 1HD2 ASN 12 2HD2 ASN 12 1.694 -3.309 15.687 88 2HD2 ASN 12 1HD2 ASN 12 2.660 -4.525 16.501 89 H CYS 13 H CYS 13 0.299 -1.797 11.754 90 HA CYS 13 HA CYS 13 0.781 -1.378 9.279 91 1HB CYS 13 1HB CYS 13 0.468 1.128 11.027 92 2HB CYS 13 2HB CYS 13 -0.218 0.777 9.436 93 H GLU 14 H GLU 14 2.583 -1.637 8.418 94 HA GLU 14 HA GLU 14 4.921 -0.134 8.621 95 1HB GLU 14 1HB GLU 14 5.091 -1.638 6.896 96 2HB GLU 14 2HB GLU 14 3.499 -1.330 6.249 97 1HG GLU 14 1HG GLU 14 5.427 0.969 6.068 98 2HG GLU 14 2HG GLU 14 5.831 -0.438 5.097 99 H TYR 15 H TYR 15 2.292 0.864 6.299 100 HA TYR 15 HA TYR 15 2.487 3.566 7.304 101 1HB TYR 15 2HB TYR 15 1.264 2.651 5.133 102 2HB TYR 15 1HB TYR 15 -0.086 2.398 6.231 103 HD1 TYR 15 HD1 TYR 15 -1.619 4.163 6.536 104 HD2 TYR 15 HD2 TYR 15 2.469 5.057 5.313 105 HE1 TYR 15 HE1 TYR 15 -2.210 6.603 6.355 106 HE2 TYR 15 HE2 TYR 15 1.880 7.496 5.121 107 HH TYR 15 HH TYR 15 0.220 9.044 5.301 108 H GLN 16 H GLN 16 -0.546 3.320 7.653 109 HA GLN 16 HA GLN 16 -0.169 3.035 10.569 110 1HB GLN 16 2HB GLN 16 -0.884 5.186 8.875 111 2HB GLN 16 1HB GLN 16 -2.357 4.827 9.705 112 1HG GLN 16 1HG GLN 16 -1.140 4.904 11.916 113 2HG GLN 16 2HG GLN 16 0.361 5.246 11.073 114 1HE2 GLN 16 1HE2 GLN 16 0.334 7.709 9.805 115 2HE2 GLN 16 2HE2 GLN 16 -1.321 7.770 9.227 116 H CYS 17 H CYS 17 -2.493 3.759 11.236 117 HA CYS 17 HA CYS 17 -3.827 1.094 11.213 118 1HB CYS 17 1HB CYS 17 -3.013 1.204 13.341 119 2HB CYS 17 2HB CYS 17 -2.961 2.953 13.352 120 H GLN 18 H GLN 18 -6.056 0.860 11.029 121 HA GLN 18 HA GLN 18 -7.696 3.251 11.284 122 1HB GLN 18 2HB GLN 18 -7.725 1.715 9.333 123 2HB GLN 18 1HB GLN 18 -8.404 0.470 10.326 124 1HG GLN 18 1HG GLN 18 -10.265 1.458 9.192 125 2HG GLN 18 2HG GLN 18 -10.357 2.069 10.835 126 1HE2 GLN 18 1HE2 GLN 18 -8.197 3.330 8.049 127 2HE2 GLN 18 2HE2 GLN 18 -8.022 4.660 9.176 128 HA PRO 19 HA PRO 19 -8.597 -0.683 11.932 129 1HB PRO 19 1HB PRO 19 -10.949 -1.789 12.926 130 2HB PRO 19 2HB PRO 19 -9.505 -1.594 13.921 131 1HG PRO 19 1HG PRO 19 -12.037 -0.119 14.099 132 2HG PRO 19 2HG PRO 19 -10.697 -0.175 15.247 133 1HD PRO 19 1HD PRO 19 -11.287 1.911 13.240 134 2HD PRO 19 2HD PRO 19 -10.086 1.951 14.545 135 H LEU 20 H LEU 20 -9.692 -0.683 9.211 136 HA LEU 20 HA LEU 20 -11.597 -1.723 8.767 137 1HB LEU 20 1HB LEU 20 -9.149 -3.213 8.757 138 2HB LEU 20 2HB LEU 20 -10.451 -4.276 9.206 139 HG LEU 20 HG LEU 20 -11.810 -3.115 7.364 140 1HD1 LEU 20 1HD1 LEU 20 -10.751 -1.881 5.680 141 2HD1 LEU 20 2HD1 LEU 20 -9.829 -1.373 7.095 142 3HD1 LEU 20 3HD1 LEU 20 -9.166 -2.587 6.000 143 1HD2 LEU 20 1HD2 LEU 20 -10.707 -4.621 5.552 144 2HD2 LEU 20 2HD2 LEU 20 -9.562 -5.090 6.806 145 3HD2 LEU 20 3HD2 LEU 20 -11.287 -5.414 7.014 146 H ASN 21 H ASN 21 -12.691 -1.577 9.882 147 HA ASN 21 HA ASN 21 -12.916 -1.814 12.610 148 1HB ASN 21 1HB ASN 21 -15.047 -0.539 12.652 149 2HB ASN 21 2HB ASN 21 -13.973 0.059 11.371 150 1HD2 ASN 21 HD2 ASN 21 -15.256 0.853 9.984 151 H GLN 22 H GLN 22 -14.717 -3.764 10.340 152 HA GLN 22 HA GLN 22 -16.416 -4.896 12.358 153 1HB GLN 22 1HB GLN 22 -16.864 -4.975 9.859 154 2HB GLN 22 2HB GLN 22 -15.567 -6.132 9.687 155 1HG GLN 22 1HG GLN 22 -17.221 -7.705 9.957 156 2HG GLN 22 2HG GLN 22 -17.081 -7.340 11.674 157 1HE2 GLN 22 1HE2 GLN 22 -19.466 -6.920 12.523 158 2HE2 GLN 22 2HE2 GLN 22 -20.220 -7.703 11.146 159 H THR 23 H THR 23 -14.069 -5.427 14.015 160 HA THR 23 HA THR 23 -12.750 -4.797 11.795 161 HB THR 23 HB THR 23 -10.630 -4.598 13.157 162 HG1 THR 23 HG1 THR 23 -11.277 -5.956 15.268 163 1HG2 THR 23 1HG2 THR 23 -12.907 -4.504 15.195 164 2HG2 THR 23 2HG2 THR 23 -11.409 -3.573 15.200 165 3HG2 THR 23 3HG2 THR 23 -12.653 -3.232 13.998 166 H SER 24 H SER 24 -11.772 -5.571 10.149 167 HA SER 24 HA SER 24 -10.165 -7.973 10.658 168 1HB SER 24 2HB SER 24 -10.808 -6.888 8.262 169 2HB SER 24 1HB SER 24 -9.409 -5.870 8.631 170 HG SER 24 HG SER 24 -9.008 -8.522 9.027 171 H TYR 25 H TYR 25 -10.222 -4.919 11.426 172 HA TYR 25 HA TYR 25 -9.031 -3.093 10.724 173 1HB TYR 25 2HB TYR 25 -7.474 -2.273 12.282 174 2HB TYR 25 1HB TYR 25 -8.671 -3.214 13.146 175 HD1 TYR 25 HD1 TYR 25 -5.137 -2.746 12.673 176 HD2 TYR 25 HD2 TYR 25 -8.135 -5.756 13.655 177 HE1 TYR 25 HE1 TYR 25 -3.337 -4.226 13.626 178 HE2 TYR 25 HE2 TYR 25 -6.338 -7.237 14.610 179 HH TYR 25 HH TYR 25 -4.065 -7.532 14.812 180 H LEU 26 H LEU 26 -6.757 -2.138 10.021 181 HA LEU 26 HA LEU 26 -6.224 -4.142 8.022 182 1HB LEU 26 2HB LEU 26 -6.622 -2.233 6.626 183 2HB LEU 26 1HB LEU 26 -7.745 -2.101 7.995 184 HG LEU 26 HG LEU 26 -5.303 -0.539 7.559 185 1HD1 LEU 26 1HD1 LEU 26 -7.367 0.191 6.445 186 2HD1 LEU 26 2HD1 LEU 26 -8.163 0.306 8.008 187 3HD1 LEU 26 3HD1 LEU 26 -6.797 1.372 7.615 188 1HD2 LEU 26 1HD2 LEU 26 -5.373 0.496 9.633 189 2HD2 LEU 26 2HD2 LEU 26 -6.726 -0.518 10.194 190 3HD2 LEU 26 3HD2 LEU 26 -5.151 -1.202 9.905 191 H CYS 27 H CYS 27 -4.000 -2.640 6.645 192 HA CYS 27 HA CYS 27 -3.620 -0.678 8.767 193 1HB CYS 27 1HB CYS 27 -1.295 -2.258 7.697 194 2HB CYS 27 2HB CYS 27 -1.057 -0.610 8.290 195 H VAL 28 H VAL 28 -3.398 1.243 8.065 196 HA VAL 28 HA VAL 28 -4.770 1.484 5.604 197 HB VAL 28 HB VAL 28 -3.573 4.031 6.008 198 1HG1 VAL 28 1HG2 VAL 28 -6.037 3.235 5.454 199 2HG1 VAL 28 2HG2 VAL 28 -6.264 3.297 7.200 200 3HG1 VAL 28 3HG2 VAL 28 -5.807 4.757 6.323 201 1HG2 VAL 28 1HG1 VAL 28 -4.085 2.673 8.657 202 2HG2 VAL 28 2HG1 VAL 28 -2.731 3.692 8.121 203 3HG2 VAL 28 3HG1 VAL 28 -4.306 4.408 8.461 204 H CYS 29 H CYS 29 -3.952 2.312 3.485 205 HA CYS 29 HA CYS 29 -1.099 2.927 3.593 206 1HB CYS 29 1HB CYS 29 -2.917 1.571 1.630 207 2HB CYS 29 2HB CYS 29 -1.265 1.986 1.211 208 H ALA 30 H ALA 30 -0.671 3.641 1.403 209 HA ALA 30 HA ALA 30 -0.943 6.345 1.554 210 1HB ALA 30 1HB ALA 30 0.650 4.661 -0.022 211 2HB ALA 30 2HB ALA 30 -0.080 5.777 -1.185 212 3HB ALA 30 3HB ALA 30 0.853 6.407 0.177 213 H GLU 31 H GLU 31 -3.885 5.864 0.960 214 HA GLU 31 HA GLU 31 -3.385 3.650 -0.354 215 1HB GLU 31 2HB GLU 31 -5.618 4.771 0.643 216 2HB GLU 31 1HB GLU 31 -6.000 4.972 -1.045 217 1HG GLU 31 1HG GLU 31 -5.444 2.427 -1.290 218 2HG GLU 31 2HG GLU 31 -5.468 2.379 0.471 219 H GLY 32 H GLY 32 -4.816 3.087 -2.643 220 1HA GLY 32 1HA GLY 32 -3.930 2.791 -4.773 221 2HA GLY 32 2HA GLY 32 -3.044 4.334 -4.590 222 H PHE 33 H PHE 33 -3.008 1.498 -2.394 223 HA PHE 33 HA PHE 33 -0.248 0.888 -2.810 224 1HB PHE 33 2HB PHE 33 -1.041 3.180 -1.044 225 2HB PHE 33 1HB PHE 33 0.040 1.997 -0.282 226 HD1 PHE 33 HD1 PHE 33 -0.307 4.406 -3.130 227 HD2 PHE 33 HD2 PHE 33 2.376 1.762 -0.930 228 HE1 PHE 33 HE1 PHE 33 1.677 5.469 -4.256 229 HE2 PHE 33 HE2 PHE 33 4.354 2.884 -1.984 230 HZ PHE 33 HZ PHE 33 4.010 4.748 -3.643 231 H ALA 34 H ALA 34 -0.492 -1.199 -2.398 232 HA ALA 34 HA ALA 34 -2.081 -1.871 -0.004 233 1HB ALA 34 1HB ALA 34 -3.808 -2.761 -1.271 234 2HB ALA 34 2HB ALA 34 -3.046 -2.079 -2.689 235 3HB ALA 34 3HB ALA 34 -2.673 -3.737 -2.210 236 HA PRO 35 HA PRO 35 0.382 -5.752 0.456 237 1HB PRO 35 1HB PRO 35 -1.904 -7.115 -0.934 238 2HB PRO 35 2HB PRO 35 -1.097 -7.569 0.555 239 1HG PRO 35 1HG PRO 35 -3.572 -6.254 0.436 240 2HG PRO 35 2HG PRO 35 -2.525 -6.276 1.850 241 1HD PRO 35 2HD PRO 35 -3.133 -4.001 0.120 242 2HD PRO 35 1HD PRO 35 -2.167 -4.007 1.600 243 H ILE 36 H ILE 36 1.610 -4.393 -1.651 244 HA ILE 36 HA ILE 36 2.697 -6.407 -3.034 245 HB ILE 36 HB ILE 36 3.965 -4.647 -2.092 246 1HG1 ILE 36 1HG1 ILE 36 4.954 -7.335 -2.013 247 2HG1 ILE 36 2HG1 ILE 36 5.790 -5.851 -2.375 248 1HG2 ILE 36 1HG2 ILE 36 4.490 -4.524 0.357 249 2HG2 ILE 36 2HG2 ILE 36 2.779 -4.409 -0.012 250 3HG2 ILE 36 3HG2 ILE 36 3.463 -5.935 0.602 251 1HD1 ILE 36 1HD1 ILE 36 5.274 -6.983 0.411 252 2HD1 ILE 36 2HD1 ILE 36 6.803 -7.063 -0.500 253 3HD1 ILE 36 3HD1 ILE 36 6.182 -5.506 0.067 254 HA PRO 37 HA PRO 37 2.691 -10.612 -1.001 255 1HB PRO 37 1HB PRO 37 5.583 -9.778 -0.933 256 2HB PRO 37 2HB PRO 37 4.910 -11.348 -1.330 257 1HG PRO 37 1HG PRO 37 5.650 -9.351 -3.206 258 2HG PRO 37 2HG PRO 37 4.583 -10.701 -3.574 259 1HD PRO 37 1HD PRO 37 3.845 -7.925 -3.524 260 2HD PRO 37 2HD PRO 37 2.749 -9.295 -3.687 261 H HIS 38 H HIS 38 2.995 -11.509 0.862 262 HA HIS 38 HA HIS 38 3.275 -11.808 3.046 263 1HB HIS 38 1HB HIS 38 5.399 -10.938 4.067 264 2HB HIS 38 2HB HIS 38 5.502 -12.040 2.693 265 HD1 HIS 38 HD1 HIS 38 5.131 -8.109 2.408 266 HD2 HIS 38 HD2 HIS 38 7.684 -11.361 1.616 267 HE1 HIS 38 HE1 HIS 38 7.299 -7.102 1.454 268 H GLU 39 H GLU 39 4.643 -8.934 3.573 269 HA GLU 39 HA GLU 39 4.016 -9.667 6.156 270 1HB GLU 39 2HB GLU 39 4.831 -6.813 5.550 271 2HB GLU 39 1HB GLU 39 5.271 -7.735 6.988 272 1HG GLU 39 2HG GLU 39 7.144 -8.633 5.878 273 2HG GLU 39 1HG GLU 39 6.213 -8.967 4.464 274 HA PRO 40 HA PRO 40 0.299 -7.407 4.716 275 1HB PRO 40 1HB PRO 40 -1.496 -8.146 6.894 276 2HB PRO 40 2HB PRO 40 -1.537 -8.633 5.212 277 1HG PRO 40 1HG PRO 40 -0.719 -10.228 7.447 278 2HG PRO 40 2HG PRO 40 -0.622 -10.676 5.749 279 1HD PRO 40 1HD PRO 40 1.561 -9.943 7.545 280 2HD PRO 40 2HD PRO 40 1.686 -10.513 5.881 281 H HIS 41 H HIS 41 1.964 -5.574 6.102 282 HA HIS 41 HA HIS 41 -0.182 -3.688 6.747 283 1HB HIS 41 2HB HIS 41 1.809 -2.083 6.846 284 2HB HIS 41 1HB HIS 41 1.653 -3.241 8.154 285 HD1 HIS 41 HD1 HIS 41 4.168 -2.792 5.048 286 HD2 HIS 41 HD2 HIS 41 3.326 -4.856 8.520 287 HE1 HIS 41 HE1 HIS 41 5.531 -5.027 5.034 288 H ARG 42 H ARG 42 2.439 -2.706 5.221 289 HA ARG 42 HA ARG 42 3.511 -3.943 3.568 290 1HB ARG 42 2HB ARG 42 0.759 -4.143 2.311 291 2HB ARG 42 1HB ARG 42 2.230 -4.951 1.778 292 1HG ARG 42 1HG ARG 42 2.329 -5.472 4.429 293 2HG ARG 42 2HG ARG 42 0.587 -5.586 4.033 294 1HD ARG 42 1HD ARG 42 2.619 -6.909 2.210 295 2HD ARG 42 2HD ARG 42 1.986 -7.725 3.644 296 HE ARG 42 HE ARG 42 0.044 -6.666 1.716 297 1HH1 ARG 42 1HH2 ARG 42 1.678 -9.253 0.928 298 2HH1 ARG 42 2HH2 ARG 42 0.469 -10.435 1.305 299 1HH2 ARG 42 2HH1 ARG 42 -0.928 -8.540 3.865 300 2HH2 ARG 42 1HH1 ARG 42 -1.254 -9.872 2.807 301 H CYS 43 H CYS 43 1.300 -1.832 2.762 302 HA CYS 43 HA CYS 43 1.218 -1.479 0.078 303 1HB CYS 43 2HB CYS 43 1.532 1.231 0.783 304 2HB CYS 43 1HB CYS 43 0.048 0.259 0.749 305 H GLN 44 H GLN 44 2.580 -1.635 -1.435 306 HA GLN 44 HA GLN 44 4.844 0.145 -1.333 307 1HB GLN 44 2HB GLN 44 5.045 -2.671 -0.516 308 2HB GLN 44 1HB GLN 44 6.060 -2.405 -1.912 309 1HG GLN 44 1HG GLN 44 7.222 -0.527 -0.738 310 2HG GLN 44 2HG GLN 44 6.168 -0.736 0.657 311 1HE2 GLN 44 1HE2 GLN 44 7.852 -2.948 -1.550 312 2HE2 GLN 44 2HE2 GLN 44 8.546 -3.985 -0.318 313 H MET 45 H MET 45 4.678 0.878 -3.811 314 HA MET 45 HA MET 45 2.129 0.566 -3.128 315 1HB MET 45 1HB MET 45 1.444 1.298 -5.534 316 2HB MET 45 2HB MET 45 2.557 2.325 -4.675 317 1HG MET 45 1HG MET 45 3.138 1.762 -7.125 318 2HG MET 45 2HG MET 45 4.433 1.607 -5.943 319 1HE MET 45 1HE MET 45 2.203 -0.707 -8.599 320 2HE MET 45 2HE MET 45 3.313 0.649 -8.797 321 3HE MET 45 3HE MET 45 3.878 -1.009 -9.076 322 H PHE 46 H PHE 46 0.161 -0.447 -3.946 323 HA PHE 46 HA PHE 46 0.654 -2.976 -5.291 324 1HB PHE 46 2HB PHE 46 -1.336 -2.223 -3.684 325 2HB PHE 46 1HB PHE 46 -2.076 -1.628 -5.161 326 HD1 PHE 46 HD1 PHE 46 -3.823 -3.104 -5.745 327 HD2 PHE 46 HD2 PHE 46 0.033 -4.710 -4.496 328 HE1 PHE 46 HE1 PHE 46 -4.643 -5.438 -6.220 329 HE2 PHE 46 HE2 PHE 46 -0.786 -7.046 -4.969 330 HZ PHE 46 HZ PHE 46 -3.125 -7.408 -5.829 331 H CYS 47 H CYS 47 1.639 -2.501 -7.411 332 HA CYS 47 HA CYS 47 -0.954 -2.419 -8.812 333 1HB CYS 47 2HB CYS 47 0.001 -1.852 -10.915 334 2HB CYS 47 1HB CYS 47 0.605 -0.684 -9.775 335 H ASN 48 H ASN 48 -0.542 -4.739 -10.933 336 HA ASN 48 HA ASN 48 -1.725 -4.796 -8.213 337 1HB ASN 48 2HB ASN 48 -2.746 -3.336 -10.235 338 2HB ASN 48 1HB ASN 48 -3.451 -4.874 -10.717 339 1HD2 ASN 48 HD2 ASN 48 -3.612 -2.200 -8.458 340 H GLN 49 H GLN 49 -0.472 -7.444 -8.439 341 HA GLN 49 HA GLN 49 0.771 -7.827 -10.369 342 1HB GLN 49 2HB GLN 49 -1.100 -9.709 -9.863 343 2HB GLN 49 1HB GLN 49 -1.728 -9.180 -11.408 344 1HG GLN 49 2HG GLN 49 -0.258 -10.707 -12.291 345 2HG GLN 49 1HG GLN 49 0.954 -9.459 -12.025 346 1HE2 GLN 49 1HE2 GLN 49 2.583 -11.148 -11.712 347 2HE2 GLN 49 2HE2 GLN 49 2.892 -11.128 -9.985 348 H THR 50 H THR 50 0.819 -5.542 -11.338 349 HA THR 50 HA THR 50 1.459 -5.128 -13.495 350 HB THR 50 HB THR 50 2.012 -7.687 -13.072 351 HG1 THR 50 HG1 THR 50 2.248 -7.679 -15.571 352 1HG2 THR 50 1HG2 THR 50 0.331 -8.281 -15.465 353 2HG2 THR 50 2HG2 THR 50 -0.576 -8.078 -13.965 354 3HG2 THR 50 3HG2 THR 50 0.693 -9.298 -14.071 355 H ALA 51 H ALA 51 -0.231 -6.851 -15.939 356 HA ALA 51 HA ALA 51 1.354 -4.718 -16.129 357 1HB ALA 51 1HB ALA 51 0.222 -4.179 -18.455 358 2HB ALA 51 2HB ALA 51 -0.852 -5.525 -18.073 359 3HB ALA 51 3HB ALA 51 0.893 -5.802 -18.231 360 H CYS 52 H CYS 52 -0.480 -3.390 -14.090 361 HA CYS 52 HA CYS 52 0.571 -1.162 -15.373 362 1HB CYS 52 2HB CYS 52 1.682 -0.677 -13.262 363 2HB CYS 52 1HB CYS 52 0.225 -1.540 -12.857 364 HA PRO 53 HA PRO 53 4.395 -1.057 -16.506 365 1HB PRO 53 2HB PRO 53 3.244 0.713 -18.411 366 2HB PRO 53 1HB PRO 53 4.289 -0.651 -18.793 367 1HG PRO 53 2HG PRO 53 1.368 -0.402 -19.118 368 2HG PRO 53 1HG PRO 53 2.457 -1.594 -19.837 369 1HD PRO 53 2HD PRO 53 0.633 -2.042 -17.679 370 2HD PRO 53 1HD PRO 53 1.912 -3.154 -18.201 371 H ALA 54 H ALA 54 4.826 1.237 -16.017 372 HA ALA 54 HA ALA 54 3.096 2.788 -14.714 373 1HB ALA 54 1HB ALA 54 4.591 4.444 -15.065 374 2HB ALA 54 2HB ALA 54 4.181 4.548 -16.774 375 3HB ALA 54 3HB ALA 54 5.406 3.394 -16.223 376 H ASP 55 H ASP 55 1.271 4.527 -15.434 377 HA ASP 55 HA ASP 55 2.270 5.158 -18.104 378 1HB ASP 55 2HB ASP 55 -0.087 3.931 -18.081 379 2HB ASP 55 1HB ASP 55 -0.707 5.473 -17.510 380 H CYS 56 H CYS 56 2.940 6.264 -15.449 381 HA CYS 56 HA CYS 56 1.345 7.877 -14.303 382 1HB CYS 56 1HB CYS 56 4.073 8.993 -14.628 383 2HB CYS 56 2HB CYS 56 3.213 8.403 -13.187 384 H ASP 57 H ASP 57 0.998 10.167 -14.185 385 HA ASP 57 HA ASP 57 0.963 11.519 -16.698 386 1HB ASP 57 2HB ASP 57 -0.521 12.113 -14.702 387 2HB ASP 57 1HB ASP 57 0.894 12.777 -13.895 388 HA PRO 58 HA PRO 58 5.241 12.707 -16.822 389 1HB PRO 58 2HB PRO 58 4.691 14.922 -18.600 390 2HB PRO 58 1HB PRO 58 5.337 13.343 -19.027 391 1HG PRO 58 2HG PRO 58 2.664 14.364 -19.532 392 2HG PRO 58 1HG PRO 58 3.331 12.810 -20.017 393 1HD PRO 58 2HD PRO 58 1.404 13.314 -17.906 394 2HD PRO 58 1HD PRO 58 2.095 11.754 -18.377 395 H ASN 59 H ASN 59 2.669 15.281 -16.565 396 HA ASN 59 HA ASN 59 4.659 17.188 -16.628 397 1HB ASN 59 1HB ASN 59 1.836 17.033 -16.824 398 2HB ASN 59 2HB ASN 59 2.087 18.021 -15.375 399 1HD2 ASN 59 1HD2 ASN 59 4.712 18.791 -16.632 400 2HD2 ASN 59 2HD2 ASN 59 4.249 20.375 -17.257 401 H THR 60 H THR 60 2.557 16.268 -14.374 402 HA THR 60 HA THR 60 3.785 17.987 -12.294 403 HB THR 60 HB THR 60 1.311 18.107 -13.186 404 HG1 THR 60 HG1 THR 60 1.632 19.636 -11.910 405 1HG2 THR 60 1HG2 THR 60 0.902 15.775 -12.172 406 2HG2 THR 60 2HG2 THR 60 -0.269 17.043 -11.740 407 3HG2 THR 60 3HG2 THR 60 1.009 16.565 -10.595 408 H GLN 61 H GLN 61 4.704 15.118 -12.570 409 HA GLN 61 HA GLN 61 2.576 13.556 -11.889 410 1HB GLN 61 1HB GLN 61 4.092 11.635 -11.878 411 2HB GLN 61 2HB GLN 61 4.717 12.786 -13.034 412 1HG GLN 61 2HG GLN 61 5.964 13.581 -10.643 413 2HG GLN 61 1HG GLN 61 5.939 11.825 -10.521 414 1HE2 GLN 61 1HE2 GLN 61 6.666 10.608 -12.562 415 2HE2 GLN 61 2HE2 GLN 61 8.349 11.093 -12.665 416 H ALA 62 H ALA 62 2.050 14.970 -9.587 417 HA ALA 62 HA ALA 62 2.426 13.403 -7.502 418 1HB ALA 62 1HB ALA 62 0.595 14.780 -7.140 419 2HB ALA 62 2HB ALA 62 -0.324 13.318 -7.504 420 3HB ALA 62 3HB ALA 62 -0.045 14.522 -8.763 421 H SER 63 H SER 63 2.809 11.634 -9.970 422 HA SER 63 HA SER 63 0.392 9.953 -9.707 423 1HB SER 63 2HB SER 63 0.572 12.152 -11.522 424 2HB SER 63 1HB SER 63 0.738 10.716 -12.532 425 HG SER 63 HG SER 63 -1.145 9.947 -11.653 426 H CYS 64 H CYS 64 3.399 9.588 -9.654 427 HA CYS 64 HA CYS 64 3.268 7.209 -11.400 428 1HB CYS 64 2HB CYS 64 4.829 9.151 -12.321 429 2HB CYS 64 1HB CYS 64 5.894 8.720 -11.012 430 H GLU 65 H GLU 65 2.733 6.005 -9.257 431 HA GLU 65 HA GLU 65 3.688 7.939 -7.341 432 1HB GLU 65 1HB GLU 65 1.308 6.622 -7.746 433 2HB GLU 65 2HB GLU 65 1.936 5.674 -6.419 434 1HG GLU 65 2HG GLU 65 1.273 7.279 -4.962 435 2HG GLU 65 1HG GLU 65 2.416 8.390 -5.708 436 H CYS 66 H CYS 66 5.116 5.377 -8.284 437 HA CYS 66 HA CYS 66 4.936 3.738 -6.039 438 1HB CYS 66 1HB CYS 66 6.106 3.043 -8.766 439 2HB CYS 66 2HB CYS 66 4.969 2.176 -7.774 440 HA PRO 67 HA PRO 67 6.791 2.183 -4.324 441 1HB PRO 67 2HB PRO 67 9.314 0.691 -4.712 442 2HB PRO 67 1HB PRO 67 7.673 0.072 -4.434 443 1HG PRO 67 2HG PRO 67 9.157 0.063 -6.884 444 2HG PRO 67 1HG PRO 67 7.488 -0.437 -6.661 445 1HD PRO 67 2HD PRO 67 8.458 1.999 -7.966 446 2HD PRO 67 1HD PRO 67 6.797 1.420 -7.834 447 H GLU 68 H GLU 68 9.296 1.556 -3.061 448 HA GLU 68 HA GLU 68 9.987 3.664 -1.662 449 1HB GLU 68 2HB GLU 68 12.510 2.539 -2.711 450 2HB GLU 68 1HB GLU 68 11.927 2.569 -1.069 451 1HG GLU 68 2HG GLU 68 10.589 0.557 -1.407 452 2HG GLU 68 1HG GLU 68 10.847 0.606 -3.149 453 H GLY 69 H GLY 69 11.131 3.037 -4.607 454 1HA GLY 69 1HA GLY 69 11.396 5.958 -5.236 455 2HA GLY 69 2HA GLY 69 12.555 4.823 -5.997 456 H TYR 70 H TYR 70 9.653 2.842 -6.865 457 HA TYR 70 HA TYR 70 12.278 2.482 -6.769 458 1HB TYR 70 2HB TYR 70 10.257 1.167 -8.120 459 2HB TYR 70 1HB TYR 70 11.255 1.667 -9.467 460 HD1 TYR 70 HD1 TYR 70 11.885 0.387 -5.943 461 HD2 TYR 70 HD2 TYR 70 12.759 0.013 -10.199 462 HE1 TYR 70 HE1 TYR 70 13.462 -1.511 -5.450 463 HE2 TYR 70 HE2 TYR 70 14.338 -1.886 -9.709 464 HH TYR 70 HH TYR 70 14.411 -3.699 -7.343 465 H ILE 71 H ILE 71 14.005 2.364 -8.586 466 HA ILE 71 HA ILE 71 13.631 4.632 -10.441 467 HB ILE 71 HB ILE 71 16.037 2.780 -10.244 468 1HG1 ILE 71 1HG1 ILE 71 15.676 3.779 -8.045 469 2HG1 ILE 71 2HG1 ILE 71 17.101 4.452 -8.799 470 1HG2 ILE 71 1HG2 ILE 71 17.246 4.702 -11.287 471 2HG2 ILE 71 2HG2 ILE 71 15.724 5.584 -11.403 472 3HG2 ILE 71 3HG2 ILE 71 15.951 4.096 -12.321 473 1HD1 ILE 71 1HD1 ILE 71 14.656 6.010 -9.431 474 2HD1 ILE 71 2HD1 ILE 71 16.216 6.573 -8.833 475 3HD1 ILE 71 3HD1 ILE 71 15.012 5.948 -7.705 476 H LEU 72 H LEU 72 12.208 1.580 -10.742 477 HA LEU 72 HA LEU 72 10.631 2.140 -12.346 478 1HB LEU 72 1HB LEU 72 10.159 3.797 -10.692 479 2HB LEU 72 2HB LEU 72 11.703 4.553 -10.912 480 HG LEU 72 HG LEU 72 10.005 4.686 -13.317 481 1HD1 LEU 72 1HD1 LEU 72 9.044 6.342 -10.963 482 2HD1 LEU 72 2HD1 LEU 72 8.345 4.756 -11.283 483 3HD1 LEU 72 3HD1 LEU 72 8.232 6.034 -12.496 484 1HD2 LEU 72 1HD2 LEU 72 10.576 7.233 -12.672 485 2HD2 LEU 72 2HD2 LEU 72 11.790 6.153 -13.387 486 3HD2 LEU 72 3HD2 LEU 72 11.766 6.429 -11.640 487 H ASP 73 H ASP 73 10.235 3.265 -14.687 488 HA ASP 73 HA ASP 73 12.709 2.365 -15.818 489 1HB ASP 73 2HB ASP 73 11.953 0.675 -13.850 490 2HB ASP 73 1HB ASP 73 10.903 0.031 -15.109 491 H ASP 74 H ASP 74 11.413 0.101 -17.316 492 HA ASP 74 HA ASP 74 9.585 -0.347 -18.701 493 1HB ASP 74 2HB ASP 74 8.473 0.521 -15.990 494 2HB ASP 74 1HB ASP 74 7.488 -0.298 -17.198 495 H GLY 75 H GLY 75 6.887 0.907 -18.177 496 1HA GLY 75 2HA GLY 75 7.054 3.346 -19.588 497 2HA GLY 75 1HA GLY 75 5.697 2.874 -18.531 498 H PHE 76 H PHE 76 8.094 2.640 -16.700 499 HA PHE 76 HA PHE 76 9.248 4.413 -15.266 500 1HB PHE 76 2HB PHE 76 6.540 5.715 -15.777 501 2HB PHE 76 1HB PHE 76 7.380 6.069 -14.295 502 HD1 PHE 76 HD1 PHE 76 9.498 5.294 -17.222 503 HD2 PHE 76 HD2 PHE 76 7.511 8.459 -14.976 504 HE1 PHE 76 HE1 PHE 76 10.896 7.016 -18.413 505 HE2 PHE 76 HE2 PHE 76 8.913 10.182 -16.158 506 HZ PHE 76 HZ PHE 76 10.604 9.461 -17.881 507 H ILE 77 H ILE 77 8.447 1.826 -14.684 508 HA ILE 77 HA ILE 77 5.815 1.918 -14.891 509 HB ILE 77 HB ILE 77 6.667 -0.076 -15.401 510 1HG1 ILE 77 1HG1 ILE 77 5.099 -0.420 -12.888 511 2HG1 ILE 77 2HG1 ILE 77 4.543 -0.546 -14.534 512 1HG2 ILE 77 1HG2 ILE 77 8.010 -1.500 -13.923 513 2HG2 ILE 77 2HG2 ILE 77 7.820 -0.323 -12.606 514 3HG2 ILE 77 3HG2 ILE 77 8.728 0.114 -14.059 515 1HD1 ILE 77 1HD1 ILE 77 4.756 -2.815 -13.658 516 2HD1 ILE 77 2HD1 ILE 77 6.404 -2.505 -13.108 517 3HD1 ILE 77 3HD1 ILE 77 6.049 -2.583 -14.836 518 H CYS 78 H CYS 78 4.017 1.253 -13.702 519 HA CYS 78 HA CYS 78 3.843 2.033 -10.974 520 1HB CYS 78 2HB CYS 78 3.880 4.194 -13.018 521 2HB CYS 78 1HB CYS 78 2.520 4.311 -11.915 522 H THR 79 H THR 79 1.826 3.049 -13.761 523 HA THR 79 HA THR 79 -0.139 1.027 -12.984 524 HB THR 79 HB THR 79 -0.366 3.956 -12.403 525 HG1 THR 79 HG1 THR 79 -0.557 1.730 -11.174 526 1HG2 THR 79 1HG2 THR 79 -2.957 3.708 -12.505 527 2HG2 THR 79 2HG2 THR 79 -2.671 2.384 -13.631 528 3HG2 THR 79 3HG2 THR 79 -2.128 4.011 -14.034 529 H ASP 80 H ASP 80 0.169 0.303 -15.692 530 HA ASP 80 HA ASP 80 -1.894 -0.402 -16.250 531 1HB ASP 80 1HB ASP 80 -1.336 -0.550 -13.581 532 2HB ASP 80 2HB ASP 80 -2.826 0.405 -13.487 533 H ILE 81 H ILE 81 -4.658 0.510 -15.215 534 HA ILE 81 HA ILE 81 -4.285 -0.033 -17.779 535 HB ILE 81 HB ILE 81 -6.648 1.630 -16.818 536 1HG1 ILE 81 2HG1 ILE 81 -5.807 -1.159 -16.299 537 2HG1 ILE 81 1HG1 ILE 81 -6.829 -0.102 -15.355 538 1HG2 ILE 81 1HG2 ILE 81 -6.581 1.423 -19.286 539 2HG2 ILE 81 2HG2 ILE 81 -7.920 0.489 -18.621 540 3HG2 ILE 81 3HG2 ILE 81 -6.450 -0.330 -19.149 541 1HD1 ILE 81 1HD1 ILE 81 -8.075 -2.088 -16.317 542 2HD1 ILE 81 2HD1 ILE 81 -7.741 -1.476 -17.937 543 3HD1 ILE 81 3HD1 ILE 81 -8.757 -0.546 -16.836 544 H ASP 82 H ASP 82 -4.187 0.916 -19.803 545 HA ASP 82 HA ASP 82 -3.347 3.532 -20.200 546 1HB ASP 82 2HB ASP 82 -3.605 1.704 -21.991 547 2HB ASP 82 1HB ASP 82 -5.332 2.046 -22.016 548 H GLU 83 H GLU 83 -4.622 5.352 -21.213 549 HA GLU 83 HA GLU 83 -7.504 5.065 -20.763 550 1HB GLU 83 1HB GLU 83 -5.814 7.408 -19.757 551 2HB GLU 83 2HB GLU 83 -7.542 7.550 -19.972 552 1HG GLU 83 1HG GLU 83 -7.820 5.536 -18.402 553 2HG GLU 83 2HG GLU 83 -6.093 5.638 -18.077 554 H1 NAG 121 H1 ASN 21 -17.332 0.970 8.817 555 H2 NAG 121 H2 ASN 21 -15.204 -0.741 7.571 556 H3 NAG 121 H3 ASN 21 -16.833 -0.782 5.474 557 H4 NAG 121 H4 ASN 21 -19.161 -1.394 6.175 558 H5 NAG 121 H5 ASN 21 -19.470 -0.029 8.591 559 1H6 NAG 121 1H6 ASN 21 -19.208 -2.944 8.955 560 2H6 NAG 121 2H6 ASN 21 -20.160 -2.533 7.529 561 1H8 NAG 121 1H8 ASN 21 -13.435 2.532 7.830 562 2H8 NAG 121 2H8 ASN 21 -14.110 1.069 8.571 563 3H8 NAG 121 3H8 ASN 21 -12.705 0.950 7.494 564 HN2 NAG 121 HN2 ASN 21 -16.567 1.731 6.678 565 HO4 NAG 121 HO4 ASN 21 -18.002 1.019 6.257 566 HO3 NAG 121 HO3 ASN 21 -17.343 -2.682 7.419 567 HO6 NAG 121 H6 ASN 21 -20.715 -0.997 9.675 568 H1 NAG 148 H1 ASN 48 -6.163 -3.208 -7.582 569 H2 NAG 148 H2 ASN 48 -4.821 -0.532 -7.783 570 H3 NAG 148 H3 ASN 48 -7.215 0.412 -7.095 571 H4 NAG 148 H4 ASN 48 -8.954 -0.518 -8.680 572 H5 NAG 148 H5 ASN 48 -8.169 -3.224 -8.756 573 1H6 NAG 148 1H6 ASN 48 -7.853 -1.762 -11.313 574 2H6 NAG 148 2H6 ASN 48 -9.358 -1.381 -10.475 575 1H8 NAG 148 1H8 ASN 48 -3.476 -0.358 -4.065 576 2H8 NAG 148 2H8 ASN 48 -5.022 -0.439 -3.199 577 3H8 NAG 148 3H8 ASN 48 -4.435 -1.850 -4.101 578 HN2 NAG 148 HN2 ASN 48 -6.041 -2.109 -5.682 579 HO4 NAG 148 HO4 ASN 48 -9.621 -1.495 -7.056 580 HO3 NAG 148 HO3 ASN 48 -6.928 1.434 -8.801 581 HO6 NAG 148 H6 ASN 48 -8.660 -4.013 -10.497 Start of MODEL 3 1 1H HIS 1 1H HIS 1 0.396 -11.290 28.657 2 2H HIS 1 2H HIS 1 -0.630 -12.039 27.530 3 3H HIS 1 3H HIS 1 0.968 -12.582 27.715 4 HA HIS 1 HA HIS 1 1.388 -10.046 27.198 5 1HB HIS 1 1HB HIS 1 1.548 -12.581 25.739 6 2HB HIS 1 2HB HIS 1 1.223 -11.262 24.637 7 HD2 HIS 1 HD2 HIS 1 2.998 -8.978 25.274 8 HE1 HIS 1 HE1 HIS 1 6.293 -11.606 26.096 9 HE2 HIS 1 HE2 HIS 1 5.656 -9.171 25.552 10 H MET 2 H MET 2 -0.043 -8.460 27.189 11 HA MET 2 HA MET 2 -2.285 -8.545 25.382 12 1HB MET 2 1HB MET 2 -2.312 -6.032 25.736 13 2HB MET 2 2HB MET 2 -2.308 -6.933 27.234 14 1HG MET 2 1HG MET 2 0.084 -6.530 27.561 15 2HG MET 2 2HG MET 2 0.243 -5.841 25.955 16 1HE MET 2 1HE MET 2 -0.190 -5.028 29.667 17 2HE MET 2 2HE MET 2 0.357 -3.378 29.322 18 3HE MET 2 3HE MET 2 1.223 -4.761 28.631 19 H GLU 3 H GLU 3 -1.252 -8.611 22.560 20 HA GLU 3 HA GLU 3 -3.149 -7.012 23.964 21 1HB GLU 3 1HB GLU 3 -1.101 -5.550 22.702 22 2HB GLU 3 2HB GLU 3 -2.428 -5.446 21.549 23 1HG GLU 3 1HG GLU 3 -3.602 -4.009 22.901 24 2HG GLU 3 2HG GLU 3 -3.352 -5.015 24.321 25 HA PRO 4 HA PRO 4 -5.818 -8.962 21.100 26 1HB PRO 4 1HB PRO 4 -7.865 -6.985 21.168 27 2HB PRO 4 2HB PRO 4 -7.744 -8.382 22.231 28 1HG PRO 4 1HG PRO 4 -7.154 -5.551 22.812 29 2HG PRO 4 2HG PRO 4 -7.391 -6.885 23.952 30 1HD PRO 4 1HD PRO 4 -4.912 -5.652 23.264 31 2HD PRO 4 2HD PRO 4 -5.117 -7.149 24.196 32 H VAL 5 H VAL 5 -3.857 -7.354 19.789 33 HA VAL 5 HA VAL 5 -3.857 -4.905 19.670 34 HB VAL 5 HB VAL 5 -4.065 -6.233 16.980 35 1HG1 VAL 5 1HG1 VAL 5 -3.322 -3.474 17.767 36 2HG1 VAL 5 2HG1 VAL 5 -2.214 -4.232 16.625 37 3HG1 VAL 5 3HG1 VAL 5 -3.930 -4.081 16.229 38 1HG2 VAL 5 1HG2 VAL 5 -1.902 -6.228 19.036 39 2HG2 VAL 5 2HG2 VAL 5 -2.281 -7.435 17.807 40 3HG2 VAL 5 3HG2 VAL 5 -1.372 -5.991 17.369 41 H ASP 6 H ASP 6 -4.954 -3.326 19.680 42 HA ASP 6 HA ASP 6 -7.616 -3.245 19.598 43 1HB ASP 6 2HB ASP 6 -5.601 -1.040 19.270 44 2HB ASP 6 1HB ASP 6 -7.308 -0.613 19.292 45 HA PRO 7 HA PRO 7 -8.015 -0.591 15.610 46 1HB PRO 7 1HB PRO 7 -8.701 1.464 17.571 47 2HB PRO 7 2HB PRO 7 -9.629 0.961 16.162 48 1HG PRO 7 1HG PRO 7 -10.102 0.309 18.941 49 2HG PRO 7 2HG PRO 7 -11.075 -0.161 17.529 50 1HD PRO 7 1HD PRO 7 -9.426 -1.875 19.142 51 2HD PRO 7 2HD PRO 7 -10.256 -2.312 17.638 52 H CYS 8 H CYS 8 -6.098 -1.488 16.288 53 HA CYS 8 HA CYS 8 -3.908 -0.995 15.641 54 1HB CYS 8 2HB CYS 8 -4.972 0.380 14.175 55 2HB CYS 8 1HB CYS 8 -5.591 1.473 15.388 56 H PHE 9 H PHE 9 -5.042 0.461 18.334 57 HA PHE 9 HA PHE 9 -3.082 1.751 19.644 58 1HB PHE 9 2HB PHE 9 -4.943 0.637 20.887 59 2HB PHE 9 1HB PHE 9 -4.067 -0.899 20.729 60 HD1 PHE 9 HD1 PHE 9 -1.705 -1.099 21.770 61 HD2 PHE 9 HD2 PHE 9 -4.467 2.153 22.675 62 HE1 PHE 9 HE1 PHE 9 -0.413 -0.587 23.868 63 HE2 PHE 9 HE2 PHE 9 -3.176 2.666 24.774 64 HZ PHE 9 HZ PHE 9 -1.148 1.297 25.370 65 H ARG 10 H ARG 10 -2.891 -1.284 18.580 66 HA ARG 10 HA ARG 10 -0.039 -1.633 19.432 67 1HB ARG 10 2HB ARG 10 -2.161 -3.358 19.848 68 2HB ARG 10 1HB ARG 10 -1.365 -4.111 18.456 69 1HG ARG 10 2HG ARG 10 0.753 -3.413 20.180 70 2HG ARG 10 1HG ARG 10 -0.492 -3.998 21.250 71 1HD ARG 10 1HD ARG 10 -0.352 -6.195 20.421 72 2HD ARG 10 2HD ARG 10 0.002 -5.646 18.771 73 HE ARG 10 HE ARG 10 2.037 -5.572 20.936 74 1HH1 ARG 10 2HH1 ARG 10 2.736 -8.153 19.188 75 2HH1 ARG 10 1HH1 ARG 10 1.721 -7.726 17.851 76 1HH2 ARG 10 1HH2 ARG 10 2.699 -4.603 17.786 77 2HH2 ARG 10 2HH2 ARG 10 4.102 -5.458 18.336 78 H ALA 11 H ALA 11 -1.472 -0.702 16.900 79 HA ALA 11 HA ALA 11 -1.077 -2.201 14.707 80 1HB ALA 11 1HB ALA 11 -0.624 0.781 15.031 81 2HB ALA 11 2HB ALA 11 -0.318 0.040 13.458 82 3HB ALA 11 3HB ALA 11 -1.922 -0.056 14.180 83 H ASN 12 H ASN 12 0.804 -2.740 13.134 84 HA ASN 12 HA ASN 12 2.167 -0.241 13.074 85 1HB ASN 12 1HB ASN 12 4.551 -1.373 12.916 86 2HB ASN 12 2HB ASN 12 3.864 -1.154 14.521 87 1HD2 ASN 12 2HD2 ASN 12 4.901 -3.852 12.226 88 2HD2 ASN 12 1HD2 ASN 12 3.250 -4.436 12.313 89 H CYS 13 H CYS 13 0.399 -1.581 11.030 90 HA CYS 13 HA CYS 13 1.130 -0.638 8.857 91 1HB CYS 13 1HB CYS 13 0.408 1.436 10.997 92 2HB CYS 13 2HB CYS 13 0.132 1.578 9.254 93 H GLU 14 H GLU 14 3.096 -0.630 8.185 94 HA GLU 14 HA GLU 14 5.258 0.933 8.907 95 1HB GLU 14 1HB GLU 14 4.723 -0.411 6.662 96 2HB GLU 14 2HB GLU 14 4.257 1.166 6.071 97 1HG GLU 14 1HG GLU 14 6.786 1.507 7.402 98 2HG GLU 14 2HG GLU 14 6.931 0.089 6.368 99 H TYR 15 H TYR 15 2.820 2.229 6.570 100 HA TYR 15 HA TYR 15 2.830 4.762 7.917 101 1HB TYR 15 2HB TYR 15 1.834 4.033 5.540 102 2HB TYR 15 1HB TYR 15 0.357 3.745 6.445 103 HD1 TYR 15 HD1 TYR 15 -1.124 5.527 5.883 104 HD2 TYR 15 HD2 TYR 15 3.042 6.416 6.827 105 HE1 TYR 15 HE1 TYR 15 -1.611 7.981 5.705 106 HE2 TYR 15 HE2 TYR 15 2.556 8.877 6.639 107 HH TYR 15 HH TYR 15 -0.206 10.147 5.227 108 H GLN 16 H GLN 16 -0.190 4.490 7.921 109 HA GLN 16 HA GLN 16 -0.251 3.405 10.711 110 1HB GLN 16 1HB GLN 16 -0.791 6.005 10.023 111 2HB GLN 16 2HB GLN 16 -2.417 5.326 10.003 112 1HG GLN 16 1HG GLN 16 -2.179 4.579 12.332 113 2HG GLN 16 2HG GLN 16 -0.474 5.012 12.350 114 1HE2 GLN 16 2HE2 GLN 16 -3.454 6.657 11.180 115 2HE2 GLN 16 1HE2 GLN 16 -2.811 8.250 11.529 116 H CYS 17 H CYS 17 -2.869 3.845 11.054 117 HA CYS 17 HA CYS 17 -3.724 1.190 10.037 118 1HB CYS 17 1HB CYS 17 -5.497 1.635 12.082 119 2HB CYS 17 2HB CYS 17 -3.936 0.876 12.278 120 H GLN 18 H GLN 18 -5.510 1.273 8.249 121 HA GLN 18 HA GLN 18 -7.858 2.068 9.698 122 1HB GLN 18 1HB GLN 18 -7.210 0.467 7.463 123 2HB GLN 18 2HB GLN 18 -7.776 -0.700 8.653 124 1HG GLN 18 1HG GLN 18 -9.677 0.095 7.267 125 2HG GLN 18 2HG GLN 18 -9.894 0.672 8.915 126 1HE2 GLN 18 2HE2 GLN 18 -7.606 1.824 6.448 127 2HE2 GLN 18 1HE2 GLN 18 -8.013 3.516 6.643 128 HA PRO 19 HA PRO 19 -8.378 -1.562 12.242 129 1HB PRO 19 1HB PRO 19 -10.818 -0.101 12.853 130 2HB PRO 19 2HB PRO 19 -9.730 -0.965 13.936 131 1HG PRO 19 1HG PRO 19 -9.939 1.819 13.800 132 2HG PRO 19 2HG PRO 19 -8.550 0.934 14.461 133 1HD PRO 19 1HD PRO 19 -8.750 2.380 11.868 134 2HD PRO 19 2HD PRO 19 -7.316 1.961 12.823 135 H LEU 20 H LEU 20 -8.565 -1.844 9.457 136 HA LEU 20 HA LEU 20 -9.268 -4.048 10.362 137 1HB LEU 20 1HB LEU 20 -10.962 -3.690 11.813 138 2HB LEU 20 2HB LEU 20 -11.796 -2.542 10.785 139 HG LEU 20 HG LEU 20 -11.672 -5.203 9.588 140 1HD1 LEU 20 1HD1 LEU 20 -11.713 -6.153 11.775 141 2HD1 LEU 20 2HD1 LEU 20 -12.800 -4.909 12.390 142 3HD1 LEU 20 3HD1 LEU 20 -13.406 -6.134 11.277 143 1HD2 LEU 20 1HD2 LEU 20 -13.256 -3.055 9.241 144 2HD2 LEU 20 2HD2 LEU 20 -13.819 -4.691 8.900 145 3HD2 LEU 20 3HD2 LEU 20 -14.246 -3.912 10.422 146 H ASN 21 H ASN 21 -11.313 -2.245 8.860 147 HA ASN 21 HA ASN 21 -13.017 -3.216 7.220 148 1HB ASN 21 1HB ASN 21 -11.239 -0.936 6.539 149 2HB ASN 21 2HB ASN 21 -11.995 -1.680 5.111 150 1HD2 ASN 21 HD2 ASN 21 -12.458 0.932 6.232 151 H GLN 22 H GLN 22 -13.260 -4.992 6.247 152 HA GLN 22 HA GLN 22 -12.980 -6.624 4.663 153 1HB GLN 22 1HB GLN 22 -11.658 -4.446 3.509 154 2HB GLN 22 2HB GLN 22 -10.388 -5.646 3.558 155 1HG GLN 22 1HG GLN 22 -11.284 -6.678 1.735 156 2HG GLN 22 2HG GLN 22 -12.781 -6.966 2.617 157 1HE2 GLN 22 1HE2 GLN 22 -13.715 -6.715 0.528 158 2HE2 GLN 22 2HE2 GLN 22 -14.113 -5.120 -0.084 159 H THR 23 H THR 23 -10.063 -5.363 6.234 160 HA THR 23 HA THR 23 -8.871 -7.955 5.881 161 HB THR 23 HB THR 23 -7.514 -5.634 7.306 162 HG1 THR 23 HG1 THR 23 -8.628 -5.470 5.014 163 1HG2 THR 23 1HG2 THR 23 -5.475 -6.589 6.630 164 2HG2 THR 23 2HG2 THR 23 -6.445 -8.049 6.826 165 3HG2 THR 23 3HG2 THR 23 -6.183 -7.373 5.218 166 H SER 24 H SER 24 -10.134 -6.121 8.299 167 HA SER 24 HA SER 24 -9.770 -5.904 10.544 168 1HB SER 24 1HB SER 24 -9.706 -7.797 11.940 169 2HB SER 24 2HB SER 24 -10.764 -8.094 10.565 170 HG SER 24 HG SER 24 -9.090 -9.713 11.295 171 H TYR 25 H TYR 25 -8.083 -5.366 11.784 172 HA TYR 25 HA TYR 25 -7.509 -3.783 9.672 173 1HB TYR 25 2HB TYR 25 -6.755 -2.180 11.358 174 2HB TYR 25 1HB TYR 25 -7.586 -3.384 12.323 175 HD1 TYR 25 HD1 TYR 25 -6.017 -5.493 13.078 176 HD2 TYR 25 HD2 TYR 25 -4.670 -1.454 12.145 177 HE1 TYR 25 HE1 TYR 25 -3.855 -5.937 14.290 178 HE2 TYR 25 HE2 TYR 25 -2.507 -1.893 13.350 179 HH TYR 25 HH TYR 25 -1.542 -3.454 15.002 180 H LEU 26 H LEU 26 -5.687 -2.617 9.187 181 HA LEU 26 HA LEU 26 -4.561 -4.839 7.625 182 1HB LEU 26 2HB LEU 26 -5.168 -3.529 5.655 183 2HB LEU 26 1HB LEU 26 -6.470 -3.995 6.755 184 HG LEU 26 HG LEU 26 -5.807 -1.495 7.697 185 1HD1 LEU 26 1HD1 LEU 26 -5.184 -0.163 5.953 186 2HD1 LEU 26 2HD1 LEU 26 -4.777 -1.658 5.096 187 3HD1 LEU 26 3HD1 LEU 26 -6.365 -0.925 4.868 188 1HD2 LEU 26 1HD2 LEU 26 -8.081 -1.017 6.473 189 2HD2 LEU 26 2HD2 LEU 26 -7.951 -2.679 5.903 190 3HD2 LEU 26 3HD2 LEU 26 -8.052 -2.373 7.628 191 H CYS 27 H CYS 27 -3.590 -2.386 5.880 192 HA CYS 27 HA CYS 27 -3.056 -0.502 7.942 193 1HB CYS 27 1HB CYS 27 -0.735 -2.111 6.969 194 2HB CYS 27 2HB CYS 27 -0.427 -0.408 7.369 195 H VAL 28 H VAL 28 -1.751 1.589 6.983 196 HA VAL 28 HA VAL 28 -4.180 1.950 5.596 197 HB VAL 28 HB VAL 28 -1.890 3.758 6.346 198 1HG1 VAL 28 1HG2 VAL 28 -4.447 4.676 4.955 199 2HG1 VAL 28 2HG2 VAL 28 -3.377 5.786 5.811 200 3HG1 VAL 28 3HG2 VAL 28 -2.787 4.897 4.404 201 1HG2 VAL 28 1HG1 VAL 28 -3.099 4.454 8.221 202 2HG2 VAL 28 2HG1 VAL 28 -4.657 4.220 7.452 203 3HG2 VAL 28 3HG1 VAL 28 -3.762 2.816 8.012 204 H CYS 29 H CYS 29 -1.216 1.481 4.373 205 HA CYS 29 HA CYS 29 -0.388 3.946 3.989 206 1HB CYS 29 1HB CYS 29 0.296 1.458 2.455 207 2HB CYS 29 2HB CYS 29 0.939 2.915 1.754 208 H ALA 30 H ALA 30 0.448 4.574 2.175 209 HA ALA 30 HA ALA 30 -1.339 6.642 1.860 210 1HB ALA 30 1HB ALA 30 1.290 6.298 0.360 211 2HB ALA 30 2HB ALA 30 0.325 7.761 0.158 212 3HB ALA 30 3HB ALA 30 0.948 7.329 1.750 213 H GLU 31 H GLU 31 -3.316 6.314 0.714 214 HA GLU 31 HA GLU 31 -3.525 3.975 -0.439 215 1HB GLU 31 1HB GLU 31 -5.268 5.916 0.093 216 2HB GLU 31 2HB GLU 31 -5.222 6.158 -1.633 217 1HG GLU 31 1HG GLU 31 -5.571 3.472 -1.634 218 2HG GLU 31 2HG GLU 31 -6.254 3.812 -0.045 219 H GLY 32 H GLY 32 -4.023 3.196 -2.621 220 1HA GLY 32 1HA GLY 32 -2.535 2.288 -4.144 221 2HA GLY 32 2HA GLY 32 -2.308 3.969 -4.716 222 H PHE 33 H PHE 33 -1.597 3.057 -1.384 223 HA PHE 33 HA PHE 33 0.870 1.788 -2.190 224 1HB PHE 33 2HB PHE 33 0.705 4.223 -0.373 225 2HB PHE 33 1HB PHE 33 1.900 2.969 0.013 226 HD1 PHE 33 HD1 PHE 33 0.895 5.574 -2.446 227 HD2 PHE 33 HD2 PHE 33 3.832 2.518 -1.427 228 HE1 PHE 33 HE1 PHE 33 2.470 6.513 -4.175 229 HE2 PHE 33 HE2 PHE 33 5.412 3.460 -3.147 230 HZ PHE 33 HZ PHE 33 4.739 5.471 -4.505 231 H ALA 34 H ALA 34 1.115 -0.120 -0.938 232 HA ALA 34 HA ALA 34 -0.719 -0.842 1.042 233 1HB ALA 34 1HB ALA 34 -2.790 -0.530 0.087 234 2HB ALA 34 2HB ALA 34 -2.035 0.094 -1.380 235 3HB ALA 34 3HB ALA 34 -2.348 -1.636 -1.210 236 HA PRO 35 HA PRO 35 1.409 -3.944 1.381 237 1HB PRO 35 1HB PRO 35 -0.351 -6.272 1.046 238 2HB PRO 35 2HB PRO 35 0.285 -5.592 2.537 239 1HG PRO 35 1HG PRO 35 -2.404 -5.357 1.532 240 2HG PRO 35 2HG PRO 35 -1.746 -4.605 2.979 241 1HD PRO 35 2HD PRO 35 -2.452 -3.291 0.492 242 2HD PRO 35 1HD PRO 35 -1.741 -2.544 1.932 243 H ILE 36 H ILE 36 2.393 -3.397 -0.776 244 HA ILE 36 HA ILE 36 3.208 -5.168 -2.531 245 HB ILE 36 HB ILE 36 4.864 -3.731 -1.631 246 1HG1 ILE 36 1HG1 ILE 36 5.499 -6.418 -1.929 247 2HG1 ILE 36 2HG1 ILE 36 6.591 -5.056 -1.928 248 1HG2 ILE 36 1HG2 ILE 36 4.255 -4.997 1.050 249 2HG2 ILE 36 2HG2 ILE 36 5.637 -3.934 0.786 250 3HG2 ILE 36 3HG2 ILE 36 3.995 -3.322 0.560 251 1HD1 ILE 36 1HD1 ILE 36 7.070 -6.978 -0.273 252 2HD1 ILE 36 2HD1 ILE 36 7.086 -5.330 0.394 253 3HD1 ILE 36 3HD1 ILE 36 5.677 -6.372 0.645 254 HA PRO 37 HA PRO 37 2.630 -9.478 -1.528 255 1HB PRO 37 1HB PRO 37 5.470 -9.661 -2.448 256 2HB PRO 37 2HB PRO 37 4.076 -10.592 -2.981 257 1HG PRO 37 1HG PRO 37 5.213 -8.406 -4.374 258 2HG PRO 37 2HG PRO 37 3.598 -9.041 -4.666 259 1HD PRO 37 1HD PRO 37 4.309 -6.486 -3.499 260 2HD PRO 37 2HD PRO 37 2.680 -7.107 -3.796 261 H HIS 38 H HIS 38 4.530 -11.248 -0.576 262 HA HIS 38 HA HIS 38 3.315 -11.798 1.376 263 1HB HIS 38 1HB HIS 38 4.963 -11.623 3.263 264 2HB HIS 38 2HB HIS 38 5.494 -12.480 1.808 265 HD1 HIS 38 HD1 HIS 38 7.194 -10.714 4.218 266 HD2 HIS 38 HD2 HIS 38 6.588 -9.944 0.102 267 HE1 HIS 38 HE1 HIS 38 9.089 -9.143 3.482 268 H GLU 39 H GLU 39 4.930 -9.463 2.903 269 HA GLU 39 HA GLU 39 3.343 -9.737 4.989 270 1HB GLU 39 2HB GLU 39 4.407 -6.940 4.507 271 2HB GLU 39 1HB GLU 39 4.305 -7.777 6.068 272 1HG GLU 39 2HG GLU 39 5.975 -9.492 5.048 273 2HG GLU 39 1HG GLU 39 6.214 -8.307 3.765 274 HA PRO 40 HA PRO 40 -0.469 -7.383 4.362 275 1HB PRO 40 1HB PRO 40 -1.376 -8.637 6.808 276 2HB PRO 40 2HB PRO 40 -1.979 -8.916 5.179 277 1HG PRO 40 1HG PRO 40 -0.374 -10.707 6.774 278 2HG PRO 40 2HG PRO 40 -0.932 -10.963 5.126 279 1HD PRO 40 1HD PRO 40 1.757 -10.279 6.045 280 2HD PRO 40 2HD PRO 40 1.249 -10.687 4.395 281 H HIS 41 H HIS 41 1.832 -5.991 5.380 282 HA HIS 41 HA HIS 41 -0.513 -4.524 6.314 283 1HB HIS 41 2HB HIS 41 1.113 -2.904 7.577 284 2HB HIS 41 1HB HIS 41 0.792 -4.458 8.353 285 HD1 HIS 41 HD1 HIS 41 2.813 -6.444 7.103 286 HD2 HIS 41 HD2 HIS 41 3.639 -2.361 7.845 287 HE1 HIS 41 HE1 HIS 41 5.372 -6.203 7.074 288 H ARG 42 H ARG 42 1.737 -4.774 4.071 289 HA ARG 42 HA ARG 42 2.905 -2.193 4.711 290 1HB ARG 42 1HB ARG 42 3.774 -4.397 2.885 291 2HB ARG 42 2HB ARG 42 4.360 -2.821 2.452 292 1HG ARG 42 1HG ARG 42 5.622 -2.530 4.359 293 2HG ARG 42 2HG ARG 42 4.552 -3.532 5.343 294 1HD ARG 42 1HD ARG 42 5.730 -5.487 4.827 295 2HD ARG 42 2HD ARG 42 6.077 -4.966 3.165 296 HE ARG 42 HE ARG 42 7.666 -4.395 5.545 297 1HH1 ARG 42 2HH1 ARG 42 6.955 -2.101 3.340 298 2HH1 ARG 42 1HH1 ARG 42 8.509 -2.033 2.578 299 1HH2 ARG 42 1HH2 ARG 42 9.572 -5.135 3.808 300 2HH2 ARG 42 2HH2 ARG 42 9.799 -3.979 2.536 301 H CYS 43 H CYS 43 3.365 -0.375 3.144 302 HA CYS 43 HA CYS 43 2.144 -0.854 0.540 303 1HB CYS 43 2HB CYS 43 3.344 1.529 0.234 304 2HB CYS 43 1HB CYS 43 1.831 1.295 1.088 305 H GLN 44 H GLN 44 3.353 -0.834 -1.413 306 HA GLN 44 HA GLN 44 5.846 0.258 -1.604 307 1HB GLN 44 2HB GLN 44 5.985 -2.492 -0.546 308 2HB GLN 44 1HB GLN 44 6.857 -2.357 -2.055 309 1HG GLN 44 1HG GLN 44 8.098 -0.345 -1.092 310 2HG GLN 44 2HG GLN 44 7.308 -0.657 0.450 311 1HE2 GLN 44 2HE2 GLN 44 7.604 -3.867 -0.012 312 2HE2 GLN 44 1HE2 GLN 44 8.453 -3.409 1.453 313 H MET 45 H MET 45 5.396 0.673 -4.269 314 HA MET 45 HA MET 45 3.236 0.987 -2.760 315 1HB MET 45 1HB MET 45 1.881 1.421 -4.990 316 2HB MET 45 2HB MET 45 3.281 2.406 -4.645 317 1HG MET 45 1HG MET 45 3.238 1.558 -7.010 318 2HG MET 45 2HG MET 45 4.688 1.083 -6.143 319 1HE MET 45 1HE MET 45 3.479 -0.476 -8.912 320 2HE MET 45 2HE MET 45 2.044 -1.428 -8.512 321 3HE MET 45 3HE MET 45 2.031 0.332 -8.289 322 H PHE 46 H PHE 46 0.814 0.079 -2.699 323 HA PHE 46 HA PHE 46 0.283 -2.226 -4.054 324 1HB PHE 46 2HB PHE 46 -1.539 -1.081 -2.943 325 2HB PHE 46 1HB PHE 46 -1.229 0.420 -3.786 326 HD1 PHE 46 HD1 PHE 46 -2.469 -3.105 -4.310 327 HD2 PHE 46 HD2 PHE 46 -2.412 0.998 -5.776 328 HE1 PHE 46 HE1 PHE 46 -4.268 -3.680 -5.975 329 HE2 PHE 46 HE2 PHE 46 -4.205 0.427 -7.448 330 HZ PHE 46 HZ PHE 46 -5.131 -1.913 -7.550 331 H CYS 47 H CYS 47 1.465 -2.615 -6.297 332 HA CYS 47 HA CYS 47 -1.266 -2.421 -6.997 333 1HB CYS 47 2HB CYS 47 0.186 -0.414 -8.238 334 2HB CYS 47 1HB CYS 47 0.300 -1.678 -9.441 335 H ASN 48 H ASN 48 -1.574 -4.672 -7.222 336 HA ASN 48 HA ASN 48 -0.760 -4.949 -10.029 337 1HB ASN 48 2HB ASN 48 -1.217 -7.598 -9.532 338 2HB ASN 48 1HB ASN 48 0.383 -6.887 -9.449 339 1HD2 ASN 48 HD2 ASN 48 -2.540 -7.177 -7.381 340 H GLN 49 H GLN 49 -3.033 -3.546 -9.609 341 HA GLN 49 HA GLN 49 -3.517 -5.088 -11.912 342 1HB GLN 49 2HB GLN 49 -6.030 -5.435 -11.609 343 2HB GLN 49 1HB GLN 49 -5.034 -6.440 -10.585 344 1HG GLN 49 2HG GLN 49 -5.326 -4.367 -8.870 345 2HG GLN 49 1HG GLN 49 -6.785 -4.104 -9.822 346 1HE2 GLN 49 2HE2 GLN 49 -6.080 -5.162 -7.041 347 2HE2 GLN 49 1HE2 GLN 49 -6.604 -6.833 -6.938 348 H THR 50 H THR 50 -6.496 -3.264 -11.308 349 HA THR 50 HA THR 50 -5.264 -2.672 -13.918 350 HB THR 50 HB THR 50 -8.008 -2.540 -14.338 351 HG1 THR 50 HG1 THR 50 -8.811 -3.191 -12.591 352 1HG2 THR 50 1HG2 THR 50 -6.774 -3.975 -15.784 353 2HG2 THR 50 2HG2 THR 50 -7.757 -5.112 -14.861 354 3HG2 THR 50 3HG2 THR 50 -6.060 -4.874 -14.445 355 H ALA 51 H ALA 51 -8.120 -1.033 -12.061 356 HA ALA 51 HA ALA 51 -7.427 0.575 -10.538 357 1HB ALA 51 1HB ALA 51 -6.418 -1.815 -10.002 358 2HB ALA 51 2HB ALA 51 -5.770 -0.437 -9.108 359 3HB ALA 51 3HB ALA 51 -4.872 -1.103 -10.470 360 H CYS 52 H CYS 52 -4.523 1.051 -9.916 361 HA CYS 52 HA CYS 52 -3.646 3.094 -11.490 362 1HB CYS 52 1HB CYS 52 -1.378 2.465 -10.909 363 2HB CYS 52 2HB CYS 52 -2.356 1.869 -9.584 364 HA PRO 53 HA PRO 53 -1.810 1.472 -15.149 365 1HB PRO 53 2HB PRO 53 -1.876 3.830 -16.541 366 2HB PRO 53 1HB PRO 53 -3.236 2.704 -16.649 367 1HG PRO 53 2HG PRO 53 -2.921 5.187 -14.990 368 2HG PRO 53 1HG PRO 53 -4.376 4.604 -15.841 369 1HD PRO 53 2HD PRO 53 -3.861 4.299 -13.064 370 2HD PRO 53 1HD PRO 53 -5.005 3.290 -13.975 371 H ALA 54 H ALA 54 0.378 1.728 -14.531 372 HA ALA 54 HA ALA 54 2.142 3.273 -15.499 373 1HB ALA 54 1HB ALA 54 2.079 2.101 -17.499 374 2HB ALA 54 2HB ALA 54 0.486 2.735 -17.918 375 3HB ALA 54 3HB ALA 54 0.631 1.340 -16.850 376 H ASP 55 H ASP 55 1.502 4.310 -18.156 377 HA ASP 55 HA ASP 55 1.697 6.465 -18.810 378 1HB ASP 55 2HB ASP 55 -0.497 6.093 -19.556 379 2HB ASP 55 1HB ASP 55 -1.119 5.880 -17.931 380 H CYS 56 H CYS 56 3.083 6.282 -16.444 381 HA CYS 56 HA CYS 56 3.313 8.341 -14.984 382 1HB CYS 56 2HB CYS 56 5.102 8.278 -17.412 383 2HB CYS 56 1HB CYS 56 5.469 8.282 -15.680 384 H ASP 57 H ASP 57 4.388 10.834 -15.987 385 HA ASP 57 HA ASP 57 1.476 11.245 -15.829 386 1HB ASP 57 1HB ASP 57 2.528 9.781 -13.861 387 2HB ASP 57 2HB ASP 57 3.155 11.320 -13.281 388 HA PRO 58 HA PRO 58 1.928 13.589 -17.861 389 1HB PRO 58 2HB PRO 58 0.923 16.251 -17.224 390 2HB PRO 58 1HB PRO 58 0.082 14.938 -18.039 391 1HG PRO 58 2HG PRO 58 -0.327 15.860 -15.329 392 2HG PRO 58 1HG PRO 58 -1.148 14.533 -16.141 393 1HD PRO 58 2HD PRO 58 0.865 14.344 -14.054 394 2HD PRO 58 1HD PRO 58 0.048 13.008 -14.883 395 H ASN 59 H ASN 59 3.028 15.600 -15.171 396 HA ASN 59 HA ASN 59 4.730 17.045 -17.020 397 1HB ASN 59 1HB ASN 59 3.745 18.464 -15.279 398 2HB ASN 59 2HB ASN 59 4.235 17.314 -14.013 399 1HD2 ASN 59 1HD2 ASN 59 6.508 16.928 -13.701 400 2HD2 ASN 59 2HD2 ASN 59 7.469 18.390 -13.573 401 H THR 60 H THR 60 4.892 14.698 -14.827 402 HA THR 60 HA THR 60 7.695 15.286 -14.171 403 HB THR 60 HB THR 60 7.453 14.017 -12.081 404 HG1 THR 60 HG1 THR 60 5.551 12.754 -11.853 405 1HG2 THR 60 1HG2 THR 60 4.725 15.255 -12.731 406 2HG2 THR 60 2HG2 THR 60 6.113 16.148 -12.108 407 3HG2 THR 60 3HG2 THR 60 5.347 14.909 -11.116 408 H GLN 61 H GLN 61 6.466 13.328 -16.270 409 HA GLN 61 HA GLN 61 6.352 10.892 -16.472 410 1HB GLN 61 1HB GLN 61 8.513 12.356 -17.684 411 2HB GLN 61 2HB GLN 61 9.122 10.760 -17.334 412 1HG GLN 61 2HG GLN 61 7.996 9.936 -19.131 413 2HG GLN 61 1HG GLN 61 6.464 10.440 -18.420 414 1HE2 GLN 61 2HE2 GLN 61 9.052 11.569 -20.799 415 2HE2 GLN 61 1HE2 GLN 61 7.585 11.508 -21.757 416 H ALA 62 H ALA 62 9.000 9.395 -16.404 417 HA ALA 62 HA ALA 62 9.106 7.449 -15.083 418 1HB ALA 62 1HB ALA 62 10.956 8.656 -14.148 419 2HB ALA 62 2HB ALA 62 10.021 8.188 -12.727 420 3HB ALA 62 3HB ALA 62 9.896 9.826 -13.360 421 H SER 63 H SER 63 8.408 9.030 -12.434 422 HA SER 63 HA SER 63 6.622 8.778 -10.775 423 1HB SER 63 2HB SER 63 5.869 10.398 -13.126 424 2HB SER 63 1HB SER 63 4.443 9.707 -12.359 425 HG SER 63 HG SER 63 4.775 11.441 -11.245 426 H CYS 64 H CYS 64 7.167 6.367 -11.771 427 HA CYS 64 HA CYS 64 4.480 5.198 -11.932 428 1HB CYS 64 2HB CYS 64 6.560 5.110 -14.132 429 2HB CYS 64 1HB CYS 64 5.609 3.664 -13.872 430 H GLU 65 H GLU 65 4.782 3.702 -9.909 431 HA GLU 65 HA GLU 65 7.358 4.989 -9.528 432 1HB GLU 65 1HB GLU 65 5.027 5.520 -8.378 433 2HB GLU 65 2HB GLU 65 5.415 4.197 -7.310 434 1HG GLU 65 2HG GLU 65 6.157 6.215 -6.196 435 2HG GLU 65 1HG GLU 65 7.599 5.348 -6.719 436 H CYS 66 H CYS 66 6.474 1.974 -9.717 437 HA CYS 66 HA CYS 66 6.619 1.016 -7.201 438 1HB CYS 66 1HB CYS 66 6.936 -1.014 -9.331 439 2HB CYS 66 2HB CYS 66 5.580 -0.700 -8.245 440 HA PRO 67 HA PRO 67 9.162 0.775 -5.353 441 1HB PRO 67 1HB PRO 67 9.751 -1.663 -4.055 442 2HB PRO 67 2HB PRO 67 8.280 -0.694 -3.870 443 1HG PRO 67 2HG PRO 67 8.606 -3.241 -5.330 444 2HG PRO 67 1HG PRO 67 7.130 -2.451 -4.790 445 1HD PRO 67 2HD PRO 67 8.150 -2.505 -7.489 446 2HD PRO 67 1HD PRO 67 6.764 -1.577 -6.904 447 H GLU 68 H GLU 68 10.486 -2.108 -5.584 448 HA GLU 68 HA GLU 68 12.789 -1.155 -4.547 449 1HB GLU 68 2HB GLU 68 11.902 -3.819 -5.261 450 2HB GLU 68 1HB GLU 68 13.632 -3.723 -5.486 451 1HG GLU 68 2HG GLU 68 13.855 -2.793 -3.137 452 2HG GLU 68 1HG GLU 68 12.120 -3.000 -2.924 453 H GLY 69 H GLY 69 12.587 -0.070 -7.393 454 1HA GLY 69 2HA GLY 69 14.444 -0.266 -9.157 455 2HA GLY 69 1HA GLY 69 14.440 -1.993 -8.711 456 H TYR 70 H TYR 70 10.947 -0.656 -9.180 457 HA TYR 70 HA TYR 70 10.440 0.642 -10.968 458 1HB TYR 70 2HB TYR 70 11.740 2.768 -10.773 459 2HB TYR 70 1HB TYR 70 11.292 2.103 -9.216 460 HD1 TYR 70 HD1 TYR 70 14.166 1.864 -11.712 461 HD2 TYR 70 HD2 TYR 70 12.914 2.049 -7.535 462 HE1 TYR 70 HE1 TYR 70 16.565 1.791 -10.994 463 HE2 TYR 70 HE2 TYR 70 15.324 1.992 -6.815 464 HH TYR 70 HH TYR 70 17.896 2.606 -8.813 465 H ILE 71 H ILE 71 13.272 -1.242 -11.952 466 HA ILE 71 HA ILE 71 11.964 -0.509 -14.436 467 HB ILE 71 HB ILE 71 13.455 -2.909 -13.368 468 1HG1 ILE 71 1HG1 ILE 71 13.931 -1.581 -16.024 469 2HG1 ILE 71 2HG1 ILE 71 14.405 -0.748 -14.562 470 1HG2 ILE 71 1HG2 ILE 71 13.008 -3.771 -15.904 471 2HG2 ILE 71 2HG2 ILE 71 11.464 -2.971 -15.603 472 3HG2 ILE 71 3HG2 ILE 71 12.008 -4.269 -14.539 473 1HD1 ILE 71 1HD1 ILE 71 15.255 -3.634 -15.089 474 2HD1 ILE 71 2HD1 ILE 71 15.949 -2.499 -13.930 475 3HD1 ILE 71 3HD1 ILE 71 16.204 -2.261 -15.659 476 H LEU 72 H LEU 72 9.839 -0.506 -12.226 477 HA LEU 72 HA LEU 72 8.049 -0.076 -13.598 478 1HB LEU 72 2HB LEU 72 10.413 0.938 -14.536 479 2HB LEU 72 1HB LEU 72 10.081 -0.155 -15.857 480 HG LEU 72 HG LEU 72 8.657 1.174 -16.823 481 1HD1 LEU 72 1HD2 LEU 72 6.688 2.181 -15.701 482 2HD1 LEU 72 2HD2 LEU 72 7.359 1.709 -14.132 483 3HD1 LEU 72 3HD2 LEU 72 6.881 0.472 -15.295 484 1HD2 LEU 72 1HD1 LEU 72 10.169 2.893 -14.996 485 2HD2 LEU 72 2HD1 LEU 72 8.616 3.605 -15.434 486 3HD2 LEU 72 3HD1 LEU 72 9.758 3.139 -16.692 487 H ASP 73 H ASP 73 6.431 -1.167 -15.314 488 HA ASP 73 HA ASP 73 6.996 -3.885 -14.627 489 1HB ASP 73 2HB ASP 73 7.210 -2.006 -12.474 490 2HB ASP 73 1HB ASP 73 5.657 -2.801 -12.238 491 H ASP 74 H ASP 74 4.666 -4.929 -13.711 492 HA ASP 74 HA ASP 74 4.831 -5.377 -16.315 493 1HB ASP 74 2HB ASP 74 3.205 -6.440 -14.284 494 2HB ASP 74 1HB ASP 74 2.030 -5.948 -15.500 495 H GLY 75 H GLY 75 4.881 -2.953 -16.883 496 1HA GLY 75 2HA GLY 75 3.509 -2.989 -19.189 497 2HA GLY 75 1HA GLY 75 2.329 -2.218 -18.107 498 H PHE 76 H PHE 76 3.660 -0.973 -16.655 499 HA PHE 76 HA PHE 76 5.850 0.604 -17.085 500 1HB PHE 76 2HB PHE 76 3.968 1.278 -19.123 501 2HB PHE 76 1HB PHE 76 3.921 2.636 -18.021 502 HD1 PHE 76 HD1 PHE 76 5.550 1.337 -20.863 503 HD2 PHE 76 HD2 PHE 76 6.359 3.494 -17.159 504 HE1 PHE 76 HE1 PHE 76 7.674 2.249 -21.857 505 HE2 PHE 76 HE2 PHE 76 8.520 4.343 -18.125 506 HZ PHE 76 HZ PHE 76 9.162 3.750 -20.487 507 H ILE 77 H ILE 77 4.262 -0.261 -15.013 508 HA ILE 77 HA ILE 77 1.905 0.964 -15.147 509 HB ILE 77 HB ILE 77 2.467 -1.217 -14.299 510 1HG1 ILE 77 1HG1 ILE 77 0.466 0.161 -12.534 511 2HG1 ILE 77 2HG1 ILE 77 0.184 -0.253 -14.200 512 1HG2 ILE 77 1HG2 ILE 77 3.788 0.230 -12.249 513 2HG2 ILE 77 2HG2 ILE 77 3.750 -1.510 -12.533 514 3HG2 ILE 77 3HG2 ILE 77 2.526 -0.764 -11.491 515 1HD1 ILE 77 1HD1 ILE 77 -0.600 -2.234 -13.294 516 2HD1 ILE 77 2HD1 ILE 77 0.326 -2.036 -11.806 517 3HD1 ILE 77 3HD1 ILE 77 1.109 -2.674 -13.251 518 H CYS 78 H CYS 78 0.719 2.104 -12.825 519 HA CYS 78 HA CYS 78 1.897 1.074 -10.805 520 1HB CYS 78 2HB CYS 78 4.060 2.596 -11.601 521 2HB CYS 78 1HB CYS 78 3.291 3.734 -10.522 522 H THR 79 H THR 79 1.317 4.499 -11.586 523 HA THR 79 HA THR 79 0.003 4.701 -8.947 524 HB THR 79 HB THR 79 0.620 7.189 -10.513 525 HG1 THR 79 HG1 THR 79 2.742 5.923 -9.295 526 1HG2 THR 79 1HG2 THR 79 0.541 6.308 -7.667 527 2HG2 THR 79 2HG2 THR 79 0.213 7.897 -8.357 528 3HG2 THR 79 3HG2 THR 79 1.875 7.396 -8.051 529 H ASP 80 H ASP 80 -2.081 3.684 -10.118 530 HA ASP 80 HA ASP 80 -3.932 5.679 -10.475 531 1HB ASP 80 2HB ASP 80 -4.275 3.300 -9.541 532 2HB ASP 80 1HB ASP 80 -3.819 3.957 -7.965 533 H ILE 81 H ILE 81 -3.969 5.928 -6.879 534 HA ILE 81 HA ILE 81 -5.688 7.477 -7.021 535 HB ILE 81 HB ILE 81 -3.375 9.329 -7.711 536 1HG1 ILE 81 2HG1 ILE 81 -2.532 7.700 -6.082 537 2HG1 ILE 81 1HG1 ILE 81 -2.672 9.291 -5.370 538 1HG2 ILE 81 1HG2 ILE 81 -5.364 9.908 -5.538 539 2HG2 ILE 81 2HG2 ILE 81 -5.923 10.028 -7.206 540 3HG2 ILE 81 3HG2 ILE 81 -4.566 11.013 -6.656 541 1HD1 ILE 81 1HD1 ILE 81 -4.115 8.508 -3.774 542 2HD1 ILE 81 2HD1 ILE 81 -3.825 6.879 -4.387 543 3HD1 ILE 81 3HD1 ILE 81 -5.182 7.824 -5.001 544 H ASP 82 H ASP 82 -7.148 8.414 -8.264 545 HA ASP 82 HA ASP 82 -8.177 9.056 -10.198 546 1HB ASP 82 2HB ASP 82 -6.134 10.817 -9.751 547 2HB ASP 82 1HB ASP 82 -5.602 10.192 -11.308 548 H GLU 83 H GLU 83 -5.853 8.859 -13.002 549 HA GLU 83 HA GLU 83 -8.712 8.967 -12.828 550 1HB GLU 83 1HB GLU 83 -7.475 10.513 -14.311 551 2HB GLU 83 2HB GLU 83 -6.793 9.178 -15.207 552 1HG GLU 83 1HG GLU 83 -9.630 8.810 -15.319 553 2HG GLU 83 2HG GLU 83 -9.342 10.521 -15.621 554 H1 NAG 121 H1 ASN 21 -15.307 0.522 6.923 555 H2 NAG 121 H2 ASN 21 -13.475 2.961 7.210 556 H3 NAG 121 H3 ASN 21 -16.355 2.870 8.155 557 H4 NAG 121 H4 ASN 21 -15.520 4.298 5.613 558 H5 NAG 121 H5 ASN 21 -16.935 1.604 5.790 559 1H6 NAG 121 1H6 ASN 21 -17.586 3.210 3.877 560 2H6 NAG 121 2H6 ASN 21 -16.973 1.634 3.374 561 1H8 NAG 121 1H8 ASN 21 -12.013 0.721 9.237 562 2H8 NAG 121 2H8 ASN 21 -11.042 2.162 9.600 563 3H8 NAG 121 3H8 ASN 21 -11.940 1.349 10.897 564 HN2 NAG 121 HN2 ASN 21 -14.615 1.104 9.178 565 HO4 NAG 121 HO4 ASN 21 -17.341 5.060 6.007 566 HO3 NAG 121 HO3 ASN 21 -15.216 4.395 9.060 567 HO6 NAG 121 H6 ASN 21 -15.422 3.950 3.635 568 H1 NAG 148 H1 ASN 48 -0.720 -7.039 -5.097 569 H2 NAG 148 H2 ASN 48 -3.534 -6.452 -5.606 570 H3 NAG 148 H3 ASN 48 -4.033 -6.880 -3.037 571 H4 NAG 148 H4 ASN 48 -3.403 -9.498 -2.858 572 H5 NAG 148 H5 ASN 48 -0.661 -8.483 -3.431 573 1H6 NAG 148 1H6 ASN 48 -1.205 -10.784 -2.471 574 2H6 NAG 148 2H6 ASN 48 -0.251 -10.824 -3.954 575 1H8 NAG 148 1H8 ASN 48 -0.843 -3.504 -3.034 576 2H8 NAG 148 2H8 ASN 48 -2.474 -3.680 -2.360 577 3H8 NAG 148 3H8 ASN 48 -1.068 -4.280 -1.465 578 HN2 NAG 148 HN2 ASN 48 -2.532 -4.643 -4.728 579 HO4 NAG 148 HO4 ASN 48 -2.837 -8.719 -1.117 580 HO3 NAG 148 HO3 ASN 48 -4.311 -8.906 -4.923 581 HO6 NAG 148 H6 ASN 48 -2.119 -11.215 -5.081 Start of MODEL 4 1 1H HIS 1 1H HIS 1 -4.034 -12.339 26.248 2 2H HIS 1 2H HIS 1 -2.895 -13.503 26.730 3 3H HIS 1 3H HIS 1 -3.590 -12.467 27.882 4 HA HIS 1 HA HIS 1 -2.636 -10.591 26.639 5 1HB HIS 1 1HB HIS 1 -1.403 -12.416 28.515 6 2HB HIS 1 2HB HIS 1 -0.165 -11.851 27.417 7 HD2 HIS 1 HD2 HIS 1 0.298 -9.150 27.384 8 HE1 HIS 1 HE1 HIS 1 -1.859 -8.216 30.977 9 HE2 HIS 1 HE2 HIS 1 -0.188 -7.291 29.251 10 H MET 2 H MET 2 -3.214 -11.810 24.280 11 HA MET 2 HA MET 2 -0.560 -11.151 23.176 12 1HB MET 2 2HB MET 2 -3.292 -11.220 21.804 13 2HB MET 2 1HB MET 2 -1.759 -10.939 21.006 14 1HG MET 2 1HG MET 2 -1.106 -13.175 21.151 15 2HG MET 2 2HG MET 2 -1.958 -13.442 22.662 16 1HE MET 2 1HE MET 2 -3.200 -15.304 22.567 17 2HE MET 2 2HE MET 2 -2.449 -15.894 21.074 18 3HE MET 2 3HE MET 2 -4.211 -15.924 21.252 19 H GLU 3 H GLU 3 -1.827 -9.201 21.195 20 HA GLU 3 HA GLU 3 0.103 -7.981 23.040 21 1HB GLU 3 2HB GLU 3 1.446 -7.554 20.911 22 2HB GLU 3 1HB GLU 3 1.113 -9.258 21.222 23 1HG GLU 3 1HG GLU 3 -1.107 -8.485 19.708 24 2HG GLU 3 2HG GLU 3 0.192 -7.543 18.985 25 HA PRO 4 HA PRO 4 -3.301 -6.149 23.183 26 1HB PRO 4 1HB PRO 4 -2.758 -3.471 24.208 27 2HB PRO 4 2HB PRO 4 -3.316 -4.885 25.092 28 1HG PRO 4 1HG PRO 4 -0.670 -3.733 25.122 29 2HG PRO 4 2HG PRO 4 -1.219 -5.166 25.985 30 1HD PRO 4 1HD PRO 4 0.541 -5.079 23.681 31 2HD PRO 4 2HD PRO 4 -0.058 -6.523 24.513 32 H VAL 5 H VAL 5 -4.899 -3.962 22.509 33 HA VAL 5 HA VAL 5 -4.109 -4.906 19.821 34 HB VAL 5 HB VAL 5 -6.382 -5.968 21.485 35 1HG1 VAL 5 1HG2 VAL 5 -6.858 -7.576 19.739 36 2HG1 VAL 5 2HG2 VAL 5 -6.667 -6.021 18.930 37 3HG1 VAL 5 3HG2 VAL 5 -5.358 -7.200 18.891 38 1HG2 VAL 5 1HG1 VAL 5 -4.809 -7.268 22.525 39 2HG2 VAL 5 2HG1 VAL 5 -4.689 -8.159 21.010 40 3HG2 VAL 5 3HG1 VAL 5 -3.568 -6.840 21.337 41 H ASP 6 H ASP 6 -5.041 -2.219 20.524 42 HA ASP 6 HA ASP 6 -5.788 -0.960 18.683 43 1HB ASP 6 1HB ASP 6 -5.064 -2.290 16.516 44 2HB ASP 6 2HB ASP 6 -3.835 -1.682 17.559 45 HA PRO 7 HA PRO 7 -7.954 -1.926 15.339 46 1HB PRO 7 1HB PRO 7 -8.328 0.908 15.193 47 2HB PRO 7 2HB PRO 7 -9.574 -0.339 15.133 48 1HG PRO 7 1HG PRO 7 -8.984 1.499 17.326 49 2HG PRO 7 2HG PRO 7 -10.333 0.379 17.171 50 1HD PRO 7 1HD PRO 7 -7.977 0.077 18.843 51 2HD PRO 7 2HD PRO 7 -9.325 -1.059 18.673 52 H CYS 8 H CYS 8 -6.707 1.274 16.330 53 HA CYS 8 HA CYS 8 -4.562 0.762 14.435 54 1HB CYS 8 2HB CYS 8 -6.058 2.921 14.686 55 2HB CYS 8 1HB CYS 8 -4.919 3.352 15.959 56 H PHE 9 H PHE 9 -4.864 0.849 17.940 57 HA PHE 9 HA PHE 9 -2.431 1.395 18.814 58 1HB PHE 9 1HB PHE 9 -4.450 -0.034 19.809 59 2HB PHE 9 2HB PHE 9 -3.380 -1.389 19.445 60 HD1 PHE 9 HD1 PHE 9 -1.309 -1.804 20.659 61 HD2 PHE 9 HD2 PHE 9 -3.726 1.737 21.449 62 HE1 PHE 9 HE1 PHE 9 0.019 -1.367 22.752 63 HE2 PHE 9 HE2 PHE 9 -2.399 2.178 23.546 64 HZ PHE 9 HZ PHE 9 -0.524 0.624 24.195 65 H ARG 10 H ARG 10 -0.475 0.125 19.202 66 HA ARG 10 HA ARG 10 1.066 -1.469 18.748 67 1HB ARG 10 2HB ARG 10 -1.374 -2.702 18.609 68 2HB ARG 10 1HB ARG 10 -0.494 -3.344 17.224 69 1HG ARG 10 1HG ARG 10 -0.221 -3.889 20.066 70 2HG ARG 10 2HG ARG 10 0.441 -4.698 18.657 71 1HD ARG 10 1HD ARG 10 2.467 -3.298 18.691 72 2HD ARG 10 2HD ARG 10 1.890 -2.556 20.199 73 HE ARG 10 HE ARG 10 2.313 -5.482 20.014 74 1HH1 ARG 10 2HH2 ARG 10 4.836 -3.540 20.862 75 2HH1 ARG 10 1HH2 ARG 10 4.034 -2.578 22.058 76 1HH2 ARG 10 1HH1 ARG 10 1.974 -5.538 22.608 77 2HH2 ARG 10 2HH1 ARG 10 3.043 -4.492 23.482 78 H ALA 11 H ALA 11 -0.256 0.207 16.486 79 HA ALA 11 HA ALA 11 -0.677 -1.573 14.492 80 1HB ALA 11 1HB ALA 11 -2.031 0.258 14.170 81 2HB ALA 11 2HB ALA 11 -0.759 1.419 14.522 82 3HB ALA 11 3HB ALA 11 -0.846 0.658 12.930 83 H ASN 12 H ASN 12 0.432 -2.432 12.726 84 HA ASN 12 HA ASN 12 2.960 -1.026 12.075 85 1HB ASN 12 1HB ASN 12 4.027 -3.313 11.691 86 2HB ASN 12 2HB ASN 12 3.511 -3.104 13.362 87 1HD2 ASN 12 1HD2 ASN 12 1.293 -4.557 13.995 88 2HD2 ASN 12 2HD2 ASN 12 2.460 -5.825 13.665 89 H CYS 13 H CYS 13 0.223 -1.070 10.688 90 HA CYS 13 HA CYS 13 0.807 -0.842 8.132 91 1HB CYS 13 1HB CYS 13 0.677 1.668 9.907 92 2HB CYS 13 2HB CYS 13 0.256 1.533 8.197 93 H GLU 14 H GLU 14 2.751 -1.490 7.561 94 HA GLU 14 HA GLU 14 5.094 -0.395 7.130 95 1HB GLU 14 2HB GLU 14 3.588 -1.559 5.360 96 2HB GLU 14 1HB GLU 14 3.024 0.035 4.967 97 1HG GLU 14 1HG GLU 14 4.820 -0.409 3.414 98 2HG GLU 14 2HG GLU 14 5.517 0.686 4.603 99 H TYR 15 H TYR 15 3.882 1.815 4.862 100 HA TYR 15 HA TYR 15 3.399 4.156 6.156 101 1HB TYR 15 2HB TYR 15 2.751 3.286 3.772 102 2HB TYR 15 1HB TYR 15 1.225 2.805 4.497 103 HD1 TYR 15 HD1 TYR 15 -0.531 4.446 4.746 104 HD2 TYR 15 HD2 TYR 15 3.576 5.733 4.044 105 HE1 TYR 15 HE1 TYR 15 -1.329 6.810 4.417 106 HE2 TYR 15 HE2 TYR 15 2.780 8.099 3.720 107 HH TYR 15 HH TYR 15 0.228 9.131 2.950 108 H GLN 16 H GLN 16 0.414 3.585 5.840 109 HA GLN 16 HA GLN 16 0.272 3.564 8.836 110 1HB GLN 16 1HB GLN 16 0.265 5.809 7.348 111 2HB GLN 16 2HB GLN 16 -1.475 5.495 7.338 112 1HG GLN 16 1HG GLN 16 -1.287 5.252 9.910 113 2HG GLN 16 2HG GLN 16 0.359 5.845 9.775 114 1HE2 GLN 16 2HE2 GLN 16 0.553 7.987 8.390 115 2HE2 GLN 16 1HE2 GLN 16 -0.923 8.814 7.930 116 H CYS 17 H CYS 17 -2.279 4.676 8.765 117 HA CYS 17 HA CYS 17 -3.345 1.991 9.412 118 1HB CYS 17 1HB CYS 17 -2.512 3.641 11.181 119 2HB CYS 17 2HB CYS 17 -3.894 4.647 10.825 120 H GLN 18 H GLN 18 -5.462 1.538 7.943 121 HA GLN 18 HA GLN 18 -7.257 3.302 9.447 122 1HB GLN 18 2HB GLN 18 -7.631 1.857 7.160 123 2HB GLN 18 1HB GLN 18 -8.256 0.711 8.352 124 1HG GLN 18 1HG GLN 18 -10.208 1.897 8.021 125 2HG GLN 18 2HG GLN 18 -9.509 2.951 9.246 126 1HE2 GLN 18 2HE2 GLN 18 -7.538 4.323 7.985 127 2HE2 GLN 18 1HE2 GLN 18 -7.843 4.733 6.307 128 HA PRO 19 HA PRO 19 -8.880 -0.123 11.854 129 1HB PRO 19 1HB PRO 19 -10.948 1.814 12.499 130 2HB PRO 19 2HB PRO 19 -9.980 0.857 13.607 131 1HG PRO 19 1HG PRO 19 -9.750 3.671 13.134 132 2HG PRO 19 2HG PRO 19 -8.680 2.675 14.120 133 1HD PRO 19 1HD PRO 19 -8.163 3.806 11.454 134 2HD PRO 19 2HD PRO 19 -7.026 3.001 12.549 135 H LEU 20 H LEU 20 -9.668 -0.631 9.044 136 HA LEU 20 HA LEU 20 -10.621 -2.494 9.918 137 1HB LEU 20 1HB LEU 20 -10.334 -2.445 12.174 138 2HB LEU 20 2HB LEU 20 -10.716 -0.754 12.298 139 HG LEU 20 HG LEU 20 -12.990 -2.592 11.824 140 1HD1 LEU 20 1HD2 LEU 20 -12.093 -2.273 14.660 141 2HD1 LEU 20 2HD2 LEU 20 -13.024 -3.569 13.908 142 3HD1 LEU 20 3HD2 LEU 20 -11.279 -3.487 13.670 143 1HD2 LEU 20 1HD1 LEU 20 -13.731 -0.368 12.042 144 2HD2 LEU 20 2HD1 LEU 20 -13.859 -0.933 13.704 145 3HD2 LEU 20 3HD1 LEU 20 -12.475 0.041 13.211 146 H ASN 21 H ASN 21 -12.246 0.120 10.392 147 HA ASN 21 HA ASN 21 -14.840 -0.754 10.342 148 1HB ASN 21 2HB ASN 21 -15.752 1.588 9.650 149 2HB ASN 21 1HB ASN 21 -14.643 1.559 11.044 150 1HD2 ASN 21 HD2 ASN 21 -14.754 3.905 10.151 151 H GLN 22 H GLN 22 -13.098 -0.383 7.335 152 HA GLN 22 HA GLN 22 -15.360 -2.151 6.584 153 1HB GLN 22 1HB GLN 22 -13.393 -0.624 5.052 154 2HB GLN 22 2HB GLN 22 -13.243 -2.314 4.642 155 1HG GLN 22 1HG GLN 22 -15.889 -2.234 4.380 156 2HG GLN 22 2HG GLN 22 -15.644 -0.494 4.264 157 1HE2 GLN 22 1HE2 GLN 22 -13.213 -0.262 2.699 158 2HE2 GLN 22 2HE2 GLN 22 -14.380 -0.071 1.403 159 H THR 23 H THR 23 -12.038 -2.048 7.684 160 HA THR 23 HA THR 23 -11.506 -4.420 6.090 161 HB THR 23 HB THR 23 -9.178 -3.455 7.601 162 HG1 THR 23 HG1 THR 23 -9.933 -1.537 7.702 163 1HG2 THR 23 1HG2 THR 23 -8.713 -2.735 4.971 164 2HG2 THR 23 2HG2 THR 23 -8.393 -4.343 5.621 165 3HG2 THR 23 3HG2 THR 23 -9.901 -4.022 4.760 166 H SER 24 H SER 24 -12.090 -3.759 9.147 167 HA SER 24 HA SER 24 -11.139 -3.973 11.146 168 1HB SER 24 1HB SER 24 -11.101 -6.136 12.181 169 2HB SER 24 2HB SER 24 -12.428 -6.118 11.023 170 HG SER 24 HG SER 24 -11.398 -7.450 9.777 171 H TYR 25 H TYR 25 -9.251 -3.990 12.130 172 HA TYR 25 HA TYR 25 -8.710 -2.161 10.280 173 1HB TYR 25 2HB TYR 25 -7.130 -1.067 11.888 174 2HB TYR 25 1HB TYR 25 -8.401 -1.893 12.777 175 HD1 TYR 25 HD1 TYR 25 -7.939 -3.892 14.148 176 HD2 TYR 25 HD2 TYR 25 -4.793 -1.980 11.799 177 HE1 TYR 25 HE1 TYR 25 -6.207 -5.264 15.346 178 HE2 TYR 25 HE2 TYR 25 -3.067 -3.335 13.010 179 HH TYR 25 HH TYR 25 -3.221 -5.809 14.355 180 H LEU 26 H LEU 26 -7.149 -1.311 9.282 181 HA LEU 26 HA LEU 26 -5.711 -3.442 7.887 182 1HB LEU 26 2HB LEU 26 -6.982 -2.868 6.120 183 2HB LEU 26 1HB LEU 26 -7.919 -1.953 7.300 184 HG LEU 26 HG LEU 26 -6.088 -0.085 6.702 185 1HD1 LEU 26 1HD2 LEU 26 -5.257 -0.199 4.501 186 2HD1 LEU 26 2HD2 LEU 26 -5.325 -1.941 4.821 187 3HD1 LEU 26 3HD2 LEU 26 -6.617 -1.152 3.935 188 1HD2 LEU 26 1HD1 LEU 26 -8.671 -0.050 6.567 189 2HD2 LEU 26 2HD1 LEU 26 -7.828 0.970 5.393 190 3HD2 LEU 26 3HD1 LEU 26 -8.494 -0.581 4.901 191 H CYS 27 H CYS 27 -4.205 -2.099 5.949 192 HA CYS 27 HA CYS 27 -3.232 0.309 7.336 193 1HB CYS 27 1HB CYS 27 -1.389 -1.844 6.337 194 2HB CYS 27 2HB CYS 27 -0.844 -0.200 6.705 195 H VAL 28 H VAL 28 -2.988 1.915 6.248 196 HA VAL 28 HA VAL 28 -3.897 1.847 3.464 197 HB VAL 28 HB VAL 28 -3.338 4.476 3.876 198 1HG1 VAL 28 1HG2 VAL 28 -5.840 4.421 5.008 199 2HG1 VAL 28 2HG2 VAL 28 -5.546 4.220 3.281 200 3HG1 VAL 28 3HG2 VAL 28 -5.771 2.804 4.308 201 1HG2 VAL 28 1HG1 VAL 28 -3.836 3.374 6.663 202 2HG2 VAL 28 2HG1 VAL 28 -2.431 4.274 6.092 203 3HG2 VAL 28 3HG1 VAL 28 -3.991 5.082 6.241 204 H CYS 29 H CYS 29 -2.537 2.510 1.646 205 HA CYS 29 HA CYS 29 -0.022 3.688 2.490 206 1HB CYS 29 1HB CYS 29 -0.866 2.244 -0.024 207 2HB CYS 29 2HB CYS 29 0.780 2.735 0.393 208 H ALA 30 H ALA 30 0.697 4.530 0.073 209 HA ALA 30 HA ALA 30 -0.322 6.976 -0.487 210 1HB ALA 30 1HB ALA 30 0.602 6.619 -2.940 211 2HB ALA 30 2HB ALA 30 1.710 6.543 -1.566 212 3HB ALA 30 3HB ALA 30 1.119 5.052 -2.311 213 H GLU 31 H GLU 31 -3.002 5.580 -0.492 214 HA GLU 31 HA GLU 31 -1.925 3.333 -1.307 215 1HB GLU 31 1HB GLU 31 -4.266 3.992 -0.149 216 2HB GLU 31 2HB GLU 31 -4.900 3.541 -1.708 217 1HG GLU 31 1HG GLU 31 -3.546 1.326 -1.431 218 2HG GLU 31 2HG GLU 31 -3.319 1.814 0.248 219 H GLY 32 H GLY 32 -2.870 1.664 -2.863 220 1HA GLY 32 2HA GLY 32 -2.973 1.515 -5.410 221 2HA GLY 32 1HA GLY 32 -1.854 2.915 -5.343 222 H PHE 33 H PHE 33 -0.071 2.534 -3.575 223 HA PHE 33 HA PHE 33 1.370 0.175 -3.222 224 1HB PHE 33 2HB PHE 33 0.302 2.511 -1.612 225 2HB PHE 33 1HB PHE 33 1.048 1.163 -0.742 226 HD1 PHE 33 HD1 PHE 33 3.307 1.282 -0.232 227 HD2 PHE 33 HD2 PHE 33 1.793 3.303 -3.785 228 HE1 PHE 33 HE1 PHE 33 5.540 2.407 -0.542 229 HE2 PHE 33 HE2 PHE 33 4.026 4.419 -4.105 230 HZ PHE 33 HZ PHE 33 5.880 4.022 -2.442 231 H ALA 34 H ALA 34 0.503 -1.688 -3.372 232 HA ALA 34 HA ALA 34 -1.443 -2.363 -1.272 233 1HB ALA 34 1HB ALA 34 -3.105 -3.034 -2.753 234 2HB ALA 34 2HB ALA 34 -2.196 -2.185 -4.005 235 3HB ALA 34 3HB ALA 34 -1.945 -3.912 -3.752 236 HA PRO 35 HA PRO 35 0.776 -5.785 -0.219 237 1HB PRO 35 1HB PRO 35 -1.124 -7.908 -0.899 238 2HB PRO 35 2HB PRO 35 -0.717 -7.272 0.690 239 1HG PRO 35 1HG PRO 35 -3.134 -6.797 -0.775 240 2HG PRO 35 2HG PRO 35 -2.657 -6.036 0.739 241 1HD PRO 35 1HD PRO 35 -2.726 -4.829 -1.926 242 2HD PRO 35 2HD PRO 35 -2.344 -4.041 -0.386 243 H ILE 36 H ILE 36 2.094 -5.279 -2.405 244 HA ILE 36 HA ILE 36 3.403 -7.347 -3.334 245 HB ILE 36 HB ILE 36 4.671 -5.611 -2.454 246 1HG1 ILE 36 1HG1 ILE 36 5.389 -8.120 -1.656 247 2HG1 ILE 36 2HG1 ILE 36 6.391 -6.692 -1.628 248 1HG2 ILE 36 1HG2 ILE 36 2.775 -5.727 -0.240 249 2HG2 ILE 36 2HG2 ILE 36 4.390 -5.230 0.307 250 3HG2 ILE 36 3HG2 ILE 36 3.557 -4.342 -0.931 251 1HD1 ILE 36 1HD1 ILE 36 4.529 -7.307 0.656 252 2HD1 ILE 36 2HD1 ILE 36 6.111 -8.112 0.548 253 3HD1 ILE 36 3HD1 ILE 36 6.009 -6.340 0.672 254 HA PRO 37 HA PRO 37 1.977 -11.240 -2.172 255 1HB PRO 37 1HB PRO 37 4.670 -11.460 -0.821 256 2HB PRO 37 2HB PRO 37 3.849 -12.659 -1.821 257 1HG PRO 37 1HG PRO 37 5.801 -10.815 -2.732 258 2HG PRO 37 2HG PRO 37 4.681 -11.672 -3.788 259 1HD PRO 37 1HD PRO 37 4.708 -8.840 -3.347 260 2HD PRO 37 2HD PRO 37 3.439 -9.758 -4.157 261 H HIS 38 H HIS 38 3.619 -12.157 0.366 262 HA HIS 38 HA HIS 38 1.855 -12.661 2.169 263 1HB HIS 38 1HB HIS 38 3.497 -11.862 4.032 264 2HB HIS 38 2HB HIS 38 3.891 -13.193 2.943 265 HD1 HIS 38 HD1 HIS 38 6.472 -12.504 3.837 266 HD2 HIS 38 HD2 HIS 38 4.475 -9.959 1.115 267 HE1 HIS 38 HE1 HIS 38 8.265 -10.961 2.838 268 H GLU 39 H GLU 39 3.242 -10.022 3.401 269 HA GLU 39 HA GLU 39 1.179 -10.421 5.193 270 1HB GLU 39 2HB GLU 39 2.843 -7.885 5.375 271 2HB GLU 39 1HB GLU 39 2.113 -8.784 6.713 272 1HG GLU 39 2HG GLU 39 3.594 -10.789 5.708 273 2HG GLU 39 1HG GLU 39 4.569 -9.461 5.099 274 HA PRO 40 HA PRO 40 -1.357 -6.573 4.747 275 1HB PRO 40 1HB PRO 40 -1.884 -6.336 7.549 276 2HB PRO 40 2HB PRO 40 -2.978 -7.001 6.344 277 1HG PRO 40 1HG PRO 40 -1.502 -8.435 8.414 278 2HG PRO 40 2HG PRO 40 -2.700 -9.078 7.297 279 1HD PRO 40 1HD PRO 40 0.200 -9.392 7.177 280 2HD PRO 40 2HD PRO 40 -1.010 -10.097 6.094 281 H HIS 41 H HIS 41 1.174 -5.605 4.462 282 HA HIS 41 HA HIS 41 -0.155 -3.265 5.467 283 1HB HIS 41 1HB HIS 41 2.068 -2.323 6.395 284 2HB HIS 41 2HB HIS 41 1.080 -3.342 7.435 285 HD1 HIS 41 HD1 HIS 41 1.947 -6.225 7.066 286 HD2 HIS 41 HD2 HIS 41 4.564 -2.937 6.590 287 HE1 HIS 41 HE1 HIS 41 4.332 -7.167 7.268 288 H ARG 42 H ARG 42 3.017 -3.256 4.956 289 HA ARG 42 HA ARG 42 4.386 -4.305 3.453 290 1HB ARG 42 2HB ARG 42 1.576 -4.987 2.512 291 2HB ARG 42 1HB ARG 42 2.959 -5.573 1.641 292 1HG ARG 42 1HG ARG 42 2.843 -5.937 4.626 293 2HG ARG 42 2HG ARG 42 1.905 -6.939 3.504 294 1HD ARG 42 2HD ARG 42 3.850 -8.173 3.018 295 2HD ARG 42 1HD ARG 42 4.653 -6.670 2.530 296 HE ARG 42 HE ARG 42 4.578 -6.983 5.397 297 1HH1 ARG 42 2HH1 ARG 42 6.288 -7.635 2.300 298 2HH1 ARG 42 1HH1 ARG 42 7.758 -7.149 3.078 299 1HH2 ARG 42 1HH2 ARG 42 6.589 -8.900 5.806 300 2HH2 ARG 42 2HH2 ARG 42 7.735 -7.611 5.660 301 H CYS 43 H CYS 43 1.891 -3.071 1.992 302 HA CYS 43 HA CYS 43 2.006 -3.057 -0.768 303 1HB CYS 43 2HB CYS 43 1.567 -0.673 -1.022 304 2HB CYS 43 1HB CYS 43 0.388 -1.436 0.052 305 H GLN 44 H GLN 44 3.183 -2.665 -2.408 306 HA GLN 44 HA GLN 44 5.497 -0.995 -1.984 307 1HB GLN 44 1HB GLN 44 6.338 -3.104 -1.118 308 2HB GLN 44 2HB GLN 44 5.770 -3.970 -2.508 309 1HG GLN 44 1HG GLN 44 7.646 -3.435 -3.741 310 2HG GLN 44 2HG GLN 44 7.602 -1.749 -3.232 311 1HE2 GLN 44 2HE2 GLN 44 8.257 -5.038 -1.767 312 2HE2 GLN 44 1HE2 GLN 44 8.685 -4.262 -0.254 313 H MET 45 H MET 45 6.232 -0.123 -3.912 314 HA MET 45 HA MET 45 3.681 0.718 -3.824 315 1HB MET 45 1HB MET 45 4.260 2.478 -5.586 316 2HB MET 45 2HB MET 45 5.537 2.258 -4.407 317 1HG MET 45 1HG MET 45 6.949 1.960 -6.137 318 2HG MET 45 2HG MET 45 6.226 0.374 -6.322 319 1HE MET 45 1HE MET 45 6.797 0.080 -8.578 320 2HE MET 45 2HE MET 45 5.102 -0.416 -8.460 321 3HE MET 45 3HE MET 45 5.659 0.507 -9.868 322 H PHE 46 H PHE 46 2.030 -0.774 -4.579 323 HA PHE 46 HA PHE 46 2.507 -3.007 -5.736 324 1HB PHE 46 2HB PHE 46 0.191 -2.312 -5.286 325 2HB PHE 46 1HB PHE 46 0.241 -1.149 -6.597 326 HD1 PHE 46 HD1 PHE 46 -1.938 -2.170 -7.340 327 HD2 PHE 46 HD2 PHE 46 1.817 -4.387 -7.347 328 HE1 PHE 46 HE1 PHE 46 -2.920 -3.825 -8.961 329 HE2 PHE 46 HE2 PHE 46 0.852 -6.017 -9.002 330 HZ PHE 46 HZ PHE 46 -1.527 -5.753 -9.788 331 H CYS 47 H CYS 47 4.598 -2.460 -7.091 332 HA CYS 47 HA CYS 47 3.295 -3.619 -9.441 333 1HB CYS 47 2HB CYS 47 5.760 -1.811 -9.716 334 2HB CYS 47 1HB CYS 47 5.019 -2.706 -11.023 335 H ASN 48 H ASN 48 5.159 -4.907 -10.788 336 HA ASN 48 HA ASN 48 5.946 -6.614 -8.511 337 1HB ASN 48 2HB ASN 48 3.404 -6.773 -9.480 338 2HB ASN 48 1HB ASN 48 4.180 -7.852 -10.635 339 1HD2 ASN 48 HD2 ASN 48 4.388 -7.473 -6.850 340 H GLN 49 H GLN 49 5.386 -6.808 -12.071 341 HA GLN 49 HA GLN 49 7.743 -8.605 -12.026 342 1HB GLN 49 2HB GLN 49 6.582 -10.178 -13.275 343 2HB GLN 49 1HB GLN 49 5.206 -9.405 -12.531 344 1HG GLN 49 2HG GLN 49 4.840 -8.002 -14.536 345 2HG GLN 49 1HG GLN 49 6.305 -8.632 -15.283 346 1HE2 GLN 49 2HE2 GLN 49 3.018 -8.909 -15.197 347 2HE2 GLN 49 1HE2 GLN 49 2.757 -10.640 -15.094 348 H THR 50 H THR 50 9.426 -8.180 -13.385 349 HA THR 50 HA THR 50 10.740 -6.437 -14.025 350 HB THR 50 HB THR 50 8.749 -5.286 -15.927 351 HG1 THR 50 HG1 THR 50 9.404 -7.986 -15.877 352 1HG2 THR 50 1HG2 THR 50 11.109 -4.763 -16.268 353 2HG2 THR 50 2HG2 THR 50 10.634 -5.868 -17.557 354 3HG2 THR 50 3HG2 THR 50 11.559 -6.466 -16.181 355 H ALA 51 H ALA 51 8.501 -5.820 -11.900 356 HA ALA 51 HA ALA 51 6.599 -4.491 -11.818 357 1HB ALA 51 1HB ALA 51 7.359 -2.122 -11.104 358 2HB ALA 51 2HB ALA 51 9.004 -2.614 -11.513 359 3HB ALA 51 3HB ALA 51 8.126 -3.444 -10.225 360 H CYS 52 H CYS 52 6.334 -1.723 -12.349 361 HA CYS 52 HA CYS 52 5.079 -2.678 -14.807 362 1HB CYS 52 1HB CYS 52 3.198 -1.200 -14.033 363 2HB CYS 52 2HB CYS 52 3.703 -2.321 -12.789 364 HA PRO 53 HA PRO 53 5.234 1.749 -16.240 365 1HB PRO 53 2HB PRO 53 2.813 1.567 -17.690 366 2HB PRO 53 1HB PRO 53 4.423 1.500 -18.401 367 1HG PRO 53 2HG PRO 53 2.489 -0.677 -18.002 368 2HG PRO 53 1HG PRO 53 3.943 -0.664 -19.005 369 1HD PRO 53 2HD PRO 53 3.609 -1.954 -16.434 370 2HD PRO 53 1HD PRO 53 5.106 -1.840 -17.377 371 H ALA 54 H ALA 54 3.965 3.422 -15.617 372 HA ALA 54 HA ALA 54 2.554 3.260 -13.346 373 1HB ALA 54 1HB ALA 54 1.924 5.443 -13.625 374 2HB ALA 54 2HB ALA 54 1.064 5.102 -15.122 375 3HB ALA 54 3HB ALA 54 2.818 5.352 -15.155 376 H ASP 55 H ASP 55 -0.072 2.992 -12.784 377 HA ASP 55 HA ASP 55 -0.920 4.683 -14.943 378 1HB ASP 55 1HB ASP 55 -1.442 2.076 -15.370 379 2HB ASP 55 2HB ASP 55 -2.713 2.356 -14.201 380 H CYS 56 H CYS 56 -0.660 5.904 -12.434 381 HA CYS 56 HA CYS 56 -2.713 6.017 -10.942 382 1HB CYS 56 2HB CYS 56 -2.171 8.554 -12.392 383 2HB CYS 56 1HB CYS 56 -2.040 8.129 -10.672 384 H ASP 57 H ASP 57 -4.189 8.481 -11.855 385 HA ASP 57 HA ASP 57 -6.097 6.393 -11.550 386 1HB ASP 57 2HB ASP 57 -6.140 8.467 -10.166 387 2HB ASP 57 1HB ASP 57 -6.491 9.440 -11.588 388 HA PRO 58 HA PRO 58 -5.468 8.553 -15.459 389 1HB PRO 58 2HB PRO 58 -6.229 11.324 -15.266 390 2HB PRO 58 1HB PRO 58 -6.688 10.188 -16.523 391 1HG PRO 58 2HG PRO 58 -8.369 11.269 -14.406 392 2HG PRO 58 1HG PRO 58 -8.840 10.207 -15.726 393 1HD PRO 58 2HD PRO 58 -8.454 9.500 -12.921 394 2HD PRO 58 1HD PRO 58 -8.996 8.445 -14.238 395 H ASN 59 H ASN 59 -6.177 11.063 -12.880 396 HA ASN 59 HA ASN 59 -3.652 11.931 -13.838 397 1HB ASN 59 1HB ASN 59 -6.195 13.095 -13.278 398 2HB ASN 59 2HB ASN 59 -5.142 13.755 -12.010 399 1HD2 ASN 59 1HD2 ASN 59 -2.923 13.330 -13.946 400 2HD2 ASN 59 2HD2 ASN 59 -2.735 14.976 -14.565 401 H THR 60 H THR 60 -5.324 11.797 -11.097 402 HA THR 60 HA THR 60 -3.069 12.905 -9.555 403 HB THR 60 HB THR 60 -4.564 14.599 -9.777 404 HG1 THR 60 HG1 THR 60 -5.435 13.460 -7.390 405 1HG2 THR 60 1HG2 THR 60 -6.489 12.342 -9.623 406 2HG2 THR 60 2HG2 THR 60 -6.558 13.804 -10.613 407 3HG2 THR 60 3HG2 THR 60 -7.058 13.862 -8.905 408 H GLN 61 H GLN 61 -5.855 12.236 -8.159 409 HA GLN 61 HA GLN 61 -6.618 11.003 -6.284 410 1HB GLN 61 1HB GLN 61 -6.921 9.103 -7.594 411 2HB GLN 61 2HB GLN 61 -5.276 9.102 -8.165 412 1HG GLN 61 2HG GLN 61 -4.483 8.106 -6.045 413 2HG GLN 61 1HG GLN 61 -6.088 8.234 -5.346 414 1HE2 GLN 61 1HE2 GLN 61 -7.548 6.134 -5.796 415 2HE2 GLN 61 2HE2 GLN 61 -6.095 5.175 -5.582 416 H ALA 62 H ALA 62 -3.955 12.421 -5.873 417 HA ALA 62 HA ALA 62 -1.709 11.725 -5.913 418 1HB ALA 62 1HB ALA 62 -2.888 12.133 -3.346 419 2HB ALA 62 2HB ALA 62 -1.170 12.251 -3.726 420 3HB ALA 62 3HB ALA 62 -1.840 10.727 -3.144 421 H SER 63 H SER 63 -0.885 10.132 -7.028 422 HA SER 63 HA SER 63 -1.285 7.395 -6.194 423 1HB SER 63 2HB SER 63 -3.411 8.671 -7.628 424 2HB SER 63 1HB SER 63 -2.595 7.657 -8.818 425 HG SER 63 HG SER 63 -3.734 6.921 -6.378 426 H CYS 64 H CYS 64 0.913 9.218 -7.159 427 HA CYS 64 HA CYS 64 1.864 6.792 -8.428 428 1HB CYS 64 2HB CYS 64 2.896 9.273 -9.759 429 2HB CYS 64 1HB CYS 64 2.528 7.715 -10.474 430 H GLU 65 H GLU 65 2.778 6.722 -6.210 431 HA GLU 65 HA GLU 65 4.163 8.870 -5.160 432 1HB GLU 65 2HB GLU 65 3.501 6.334 -4.280 433 2HB GLU 65 1HB GLU 65 5.211 6.129 -4.509 434 1HG GLU 65 2HG GLU 65 3.771 7.866 -2.502 435 2HG GLU 65 1HG GLU 65 5.192 6.848 -2.279 436 H CYS 66 H CYS 66 5.090 6.608 -7.281 437 HA CYS 66 HA CYS 66 7.246 6.023 -5.740 438 1HB CYS 66 1HB CYS 66 6.900 4.328 -8.130 439 2HB CYS 66 2HB CYS 66 6.635 3.962 -6.424 440 HA PRO 67 HA PRO 67 10.702 7.412 -7.060 441 1HB PRO 67 1HB PRO 67 9.853 9.922 -5.843 442 2HB PRO 67 2HB PRO 67 10.970 9.689 -7.204 443 1HG PRO 67 2HG PRO 67 8.242 10.661 -7.296 444 2HG PRO 67 1HG PRO 67 9.349 10.441 -8.647 445 1HD PRO 67 2HD PRO 67 7.040 8.811 -8.007 446 2HD PRO 67 1HD PRO 67 8.195 8.554 -9.320 447 H GLU 68 H GLU 68 11.303 8.108 -4.265 448 HA GLU 68 HA GLU 68 11.873 5.722 -5.124 449 1HB GLU 68 2HB GLU 68 11.261 5.849 -2.140 450 2HB GLU 68 1HB GLU 68 12.603 5.054 -2.921 451 1HG GLU 68 2HG GLU 68 13.672 7.201 -3.446 452 2HG GLU 68 1HG GLU 68 12.257 8.095 -2.898 453 H GLY 69 H GLY 69 9.097 4.938 -6.054 454 1HA GLY 69 1HA GLY 69 11.567 3.453 -5.479 455 2HA GLY 69 2HA GLY 69 10.100 2.479 -5.805 456 H TYR 70 H TYR 70 10.641 5.606 -7.337 457 HA TYR 70 HA TYR 70 11.144 5.768 -9.705 458 1HB TYR 70 2HB TYR 70 13.396 6.639 -9.585 459 2HB TYR 70 1HB TYR 70 12.678 6.923 -8.012 460 HD1 TYR 70 HD1 TYR 70 15.636 5.995 -9.531 461 HD2 TYR 70 HD2 TYR 70 12.937 4.617 -6.399 462 HE1 TYR 70 HE1 TYR 70 17.525 4.713 -8.473 463 HE2 TYR 70 HE2 TYR 70 14.831 3.352 -5.321 464 HH TYR 70 HH TYR 70 17.478 2.421 -6.720 465 H ILE 71 H ILE 71 11.516 3.174 -11.530 466 HA ILE 71 HA ILE 71 12.416 5.972 -11.225 467 HB ILE 71 HB ILE 71 13.316 3.885 -13.218 468 1HG1 ILE 71 1HG1 ILE 71 14.559 4.973 -11.062 469 2HG1 ILE 71 2HG1 ILE 71 15.393 4.284 -12.434 470 1HG2 ILE 71 1HG2 ILE 71 12.587 5.457 -14.813 471 2HG2 ILE 71 2HG2 ILE 71 14.277 5.906 -14.579 472 3HG2 ILE 71 3HG2 ILE 71 13.000 6.839 -13.799 473 1HD1 ILE 71 1HD1 ILE 71 15.983 6.385 -13.320 474 2HD1 ILE 71 2HD1 ILE 71 15.991 6.753 -11.597 475 3HD1 ILE 71 3HD1 ILE 71 14.603 7.203 -12.587 476 H LEU 72 H LEU 72 10.522 7.114 -11.546 477 HA LEU 72 HA LEU 72 8.686 7.028 -13.451 478 1HB LEU 72 2HB LEU 72 10.693 9.197 -12.840 479 2HB LEU 72 1HB LEU 72 9.624 9.450 -14.201 480 HG LEU 72 HG LEU 72 9.149 9.946 -11.463 481 1HD1 LEU 72 1HD2 LEU 72 8.100 11.533 -12.707 482 2HD1 LEU 72 2HD2 LEU 72 6.745 10.402 -12.763 483 3HD1 LEU 72 3HD2 LEU 72 7.905 10.456 -14.092 484 1HD2 LEU 72 1HD1 LEU 72 8.393 7.553 -11.372 485 2HD2 LEU 72 2HD1 LEU 72 7.157 7.950 -12.573 486 3HD2 LEU 72 3HD1 LEU 72 7.120 8.729 -10.986 487 H ASP 73 H ASP 73 9.414 5.628 -16.024 488 HA ASP 73 HA ASP 73 7.743 7.758 -15.186 489 1HB ASP 73 2HB ASP 73 7.898 9.121 -17.381 490 2HB ASP 73 1HB ASP 73 9.197 9.329 -16.212 491 H ASP 74 H ASP 74 7.836 7.467 -18.330 492 HA ASP 74 HA ASP 74 5.137 7.554 -18.380 493 1HB ASP 74 2HB ASP 74 5.071 7.142 -20.840 494 2HB ASP 74 1HB ASP 74 6.585 7.966 -20.472 495 H GLY 75 H GLY 75 4.305 5.055 -16.791 496 1HA GLY 75 2HA GLY 75 3.262 6.938 -18.810 497 2HA GLY 75 1HA GLY 75 2.168 5.946 -17.802 498 H PHE 76 H PHE 76 4.528 6.644 -15.983 499 HA PHE 76 HA PHE 76 4.373 8.933 -14.508 500 1HB PHE 76 2HB PHE 76 1.676 8.163 -14.927 501 2HB PHE 76 1HB PHE 76 2.006 7.604 -13.301 502 HD1 PHE 76 HD1 PHE 76 3.534 9.441 -11.866 503 HD2 PHE 76 HD2 PHE 76 0.747 10.301 -15.107 504 HE1 PHE 76 HE1 PHE 76 3.263 11.790 -11.006 505 HE2 PHE 76 HE2 PHE 76 0.474 12.652 -14.250 506 HZ PHE 76 HZ PHE 76 1.728 13.396 -12.195 507 H ILE 77 H ILE 77 5.866 6.482 -14.584 508 HA ILE 77 HA ILE 77 4.212 4.541 -13.921 509 HB ILE 77 HB ILE 77 6.022 3.916 -15.173 510 1HG1 ILE 77 1HG1 ILE 77 6.081 2.546 -12.534 511 2HG1 ILE 77 2HG1 ILE 77 5.654 1.930 -14.114 512 1HG2 ILE 77 1HG2 ILE 77 8.365 4.157 -14.527 513 2HG2 ILE 77 2HG2 ILE 77 7.881 4.794 -12.943 514 3HG2 ILE 77 3HG2 ILE 77 7.545 5.712 -14.411 515 1HD1 ILE 77 1HD1 ILE 77 8.499 2.653 -13.223 516 2HD1 ILE 77 2HD1 ILE 77 8.059 1.947 -14.779 517 3HD1 ILE 77 3HD1 ILE 77 7.851 1.016 -13.296 518 H CYS 78 H CYS 78 4.166 2.858 -12.290 519 HA CYS 78 HA CYS 78 4.359 3.312 -9.626 520 1HB CYS 78 2HB CYS 78 2.923 5.571 -10.928 521 2HB CYS 78 1HB CYS 78 2.132 4.968 -9.483 522 H THR 79 H THR 79 2.485 2.149 -12.211 523 HA THR 79 HA THR 79 1.479 0.217 -10.364 524 HB THR 79 HB THR 79 -0.840 1.481 -11.790 525 HG1 THR 79 HG1 THR 79 -0.997 2.956 -10.021 526 1HG2 THR 79 1HG2 THR 79 -0.918 0.930 -8.853 527 2HG2 THR 79 2HG2 THR 79 -0.645 -0.482 -9.874 528 3HG2 THR 79 3HG2 THR 79 -2.086 0.509 -10.106 529 H ASP 80 H ASP 80 2.362 -1.413 -11.791 530 HA ASP 80 HA ASP 80 1.217 -2.115 -14.141 531 1HB ASP 80 2HB ASP 80 2.429 -3.839 -12.996 532 2HB ASP 80 1HB ASP 80 1.435 -3.670 -11.540 533 H ILE 81 H ILE 81 -0.707 -1.001 -14.645 534 HA ILE 81 HA ILE 81 -3.198 -1.372 -13.840 535 HB ILE 81 HB ILE 81 -2.366 -2.702 -16.438 536 1HG1 ILE 81 2HG1 ILE 81 -2.768 -0.063 -17.119 537 2HG1 ILE 81 1HG1 ILE 81 -1.943 0.099 -15.587 538 1HG2 ILE 81 1HG2 ILE 81 -4.668 -2.813 -16.464 539 2HG2 ILE 81 2HG2 ILE 81 -4.500 -1.171 -17.084 540 3HG2 ILE 81 3HG2 ILE 81 -4.864 -1.437 -15.378 541 1HD1 ILE 81 1HD1 ILE 81 -0.710 -1.949 -17.361 542 2HD1 ILE 81 2HD1 ILE 81 0.059 -0.646 -16.452 543 3HD1 ILE 81 3HD1 ILE 81 -0.671 -0.314 -18.023 544 H ASP 82 H ASP 82 -4.770 -3.313 -14.724 545 HA ASP 82 HA ASP 82 -4.018 -4.915 -12.389 546 1HB ASP 82 1HB ASP 82 -6.298 -3.557 -12.802 547 2HB ASP 82 2HB ASP 82 -6.782 -5.010 -13.671 548 H GLU 83 H GLU 83 -2.657 -5.892 -14.779 549 HA GLU 83 HA GLU 83 -3.675 -8.503 -13.895 550 1HB GLU 83 1HB GLU 83 -1.310 -7.531 -15.479 551 2HB GLU 83 2HB GLU 83 -1.029 -8.965 -14.521 552 1HG GLU 83 1HG GLU 83 -3.448 -9.617 -15.697 553 2HG GLU 83 2HG GLU 83 -2.717 -8.629 -16.958 554 H1 NAG 121 H1 ASN 21 -12.624 4.569 8.394 555 H2 NAG 121 H2 ASN 21 -14.946 3.369 7.180 556 H3 NAG 121 H3 ASN 21 -15.386 5.205 5.456 557 H4 NAG 121 H4 ASN 21 -15.052 7.564 6.408 558 H5 NAG 121 H5 ASN 21 -12.611 6.815 7.822 559 1H6 NAG 121 1H6 ASN 21 -15.038 8.305 8.920 560 2H6 NAG 121 2H6 ASN 21 -13.874 9.071 7.841 561 1H8 NAG 121 1H8 ASN 21 -11.757 1.278 5.112 562 2H8 NAG 121 2H8 ASN 21 -11.498 2.262 6.564 563 3H8 NAG 121 3H8 ASN 21 -12.682 0.957 6.586 564 HN2 NAG 121 HN2 ASN 21 -12.498 4.527 5.985 565 HO4 NAG 121 HO4 ASN 21 -12.983 7.624 5.621 566 HO3 NAG 121 HO3 ASN 21 -16.788 6.298 6.854 567 HO6 NAG 121 H6 ASN 21 -13.657 8.314 10.441 568 H1 NAG 148 H1 ASN 48 2.777 -8.906 -5.830 569 H2 NAG 148 H2 ASN 48 1.901 -6.694 -7.447 570 H3 NAG 148 H3 ASN 48 -0.523 -7.432 -7.736 571 H4 NAG 148 H4 ASN 48 -0.735 -9.966 -8.167 572 H5 NAG 148 H5 ASN 48 1.177 -10.552 -6.024 573 1H6 NAG 148 1H6 ASN 48 0.751 -11.685 -8.835 574 2H6 NAG 148 2H6 ASN 48 0.066 -12.327 -7.342 575 1H8 NAG 148 1H8 ASN 48 -0.358 -5.044 -5.604 576 2H8 NAG 148 2H8 ASN 48 -0.139 -5.409 -3.891 577 3H8 NAG 148 3H8 ASN 48 0.794 -4.100 -4.640 578 HN2 NAG 148 HN2 ASN 48 0.382 -7.810 -5.188 579 HO4 NAG 148 HO4 ASN 48 -0.904 -8.501 -5.976 580 HO3 NAG 148 HO3 ASN 48 0.583 -9.060 -9.469 581 HO6 NAG 148 H6 ASN 48 2.758 -11.983 -7.306 Start of MODEL 5 1 1H HIS 1 1H HIS 1 3.029 -9.949 24.356 2 2H HIS 1 2H HIS 1 2.876 -10.212 22.685 3 3H HIS 1 3H HIS 1 3.237 -11.509 23.719 4 HA HIS 1 HA HIS 1 5.215 -10.011 24.363 5 1HB HIS 1 1HB HIS 1 5.026 -12.359 23.067 6 2HB HIS 1 2HB HIS 1 5.511 -11.390 21.694 7 HD2 HIS 1 HD2 HIS 1 8.078 -11.123 21.429 8 HE1 HIS 1 HE1 HIS 1 9.377 -11.892 25.449 9 HE2 HIS 1 HE2 HIS 1 10.190 -11.400 23.056 10 H MET 2 H MET 2 7.026 -8.506 22.574 11 HA MET 2 HA MET 2 5.408 -7.528 24.646 12 1HB MET 2 2HB MET 2 7.863 -6.581 23.201 13 2HB MET 2 1HB MET 2 6.986 -5.335 24.056 14 1HG MET 2 1HG MET 2 7.554 -6.165 26.131 15 2HG MET 2 2HG MET 2 7.378 -7.837 25.627 16 1HE MET 2 1HE MET 2 9.869 -4.703 24.594 17 2HE MET 2 2HE MET 2 11.032 -5.210 25.831 18 3HE MET 2 3HE MET 2 9.349 -4.884 26.278 19 H GLU 3 H GLU 3 3.659 -5.978 24.693 20 HA GLU 3 HA GLU 3 4.898 -3.624 23.955 21 1HB GLU 3 1HB GLU 3 2.958 -4.663 21.913 22 2HB GLU 3 2HB GLU 3 2.804 -2.949 22.274 23 1HG GLU 3 1HG GLU 3 5.617 -3.479 21.983 24 2HG GLU 3 2HG GLU 3 4.812 -4.291 20.650 25 HA PRO 4 HA PRO 4 1.052 -1.875 25.946 26 1HB PRO 4 1HB PRO 4 0.873 0.291 24.063 27 2HB PRO 4 2HB PRO 4 1.430 0.386 25.729 28 1HG PRO 4 1HG PRO 4 3.011 0.461 23.266 29 2HG PRO 4 2HG PRO 4 3.551 0.775 24.922 30 1HD PRO 4 1HD PRO 4 4.132 -1.548 23.338 31 2HD PRO 4 2HD PRO 4 4.502 -1.323 25.054 32 H VAL 5 H VAL 5 1.010 -3.914 24.201 33 HA VAL 5 HA VAL 5 0.503 -3.720 21.647 34 HB VAL 5 HB VAL 5 0.515 -5.879 22.420 35 1HG1 VAL 5 1HG1 VAL 5 -0.957 -6.856 24.133 36 2HG1 VAL 5 2HG1 VAL 5 -0.287 -5.357 24.760 37 3HG1 VAL 5 3HG1 VAL 5 -1.947 -5.400 24.171 38 1HG2 VAL 5 1HG2 VAL 5 -1.582 -5.187 20.754 39 2HG2 VAL 5 2HG2 VAL 5 -0.982 -6.820 21.026 40 3HG2 VAL 5 3HG2 VAL 5 -2.361 -6.223 21.953 41 H ASP 6 H ASP 6 -0.597 -2.483 20.479 42 HA ASP 6 HA ASP 6 -2.930 -1.924 19.623 43 1HB ASP 6 2HB ASP 6 -2.070 -2.966 17.787 44 2HB ASP 6 1HB ASP 6 -1.000 -3.882 18.804 45 HA PRO 7 HA PRO 7 -5.586 -4.037 18.550 46 1HB PRO 7 1HB PRO 7 -7.295 -1.777 18.497 47 2HB PRO 7 2HB PRO 7 -7.728 -3.397 19.037 48 1HG PRO 7 1HG PRO 7 -7.230 -0.998 20.625 49 2HG PRO 7 2HG PRO 7 -7.942 -2.549 21.131 50 1HD PRO 7 1HD PRO 7 -5.277 -1.565 21.711 51 2HD PRO 7 2HD PRO 7 -5.942 -3.159 22.131 52 H CYS 8 H CYS 8 -4.544 -3.667 17.164 53 HA CYS 8 HA CYS 8 -3.477 -2.861 15.171 54 1HB CYS 8 2HB CYS 8 -5.853 -2.431 15.100 55 2HB CYS 8 1HB CYS 8 -5.647 -0.959 16.018 56 H PHE 9 H PHE 9 -3.257 -0.996 17.900 57 HA PHE 9 HA PHE 9 -1.615 1.112 17.513 58 1HB PHE 9 1HB PHE 9 -2.113 -0.121 19.695 59 2HB PHE 9 2HB PHE 9 -0.671 -1.087 19.342 60 HD1 PHE 9 HD1 PHE 9 -1.594 2.601 19.133 61 HD2 PHE 9 HD2 PHE 9 1.242 -0.418 20.496 62 HE1 PHE 9 HE1 PHE 9 -0.141 4.409 20.111 63 HE2 PHE 9 HE2 PHE 9 2.711 1.392 21.452 64 HZ PHE 9 HZ PHE 9 2.014 3.803 21.267 65 H ARG 10 H ARG 10 0.810 -0.504 18.505 66 HA ARG 10 HA ARG 10 2.791 -1.418 17.413 67 1HB ARG 10 2HB ARG 10 0.754 -2.845 18.691 68 2HB ARG 10 1HB ARG 10 1.127 -3.843 17.283 69 1HG ARG 10 2HG ARG 10 3.649 -3.042 18.335 70 2HG ARG 10 1HG ARG 10 2.673 -3.348 19.734 71 1HD ARG 10 1HD ARG 10 3.947 -5.411 18.829 72 2HD ARG 10 2HD ARG 10 2.198 -5.665 18.989 73 HE ARG 10 HE ARG 10 3.424 -4.917 16.393 74 1HH1 ARG 10 1HH2 ARG 10 0.241 -5.955 17.468 75 2HH1 ARG 10 2HH2 ARG 10 0.267 -6.271 15.765 76 1HH2 ARG 10 2HH1 ARG 10 3.361 -7.949 16.863 77 2HH2 ARG 10 1HH1 ARG 10 2.109 -8.160 15.685 78 H ALA 11 H ALA 11 -0.004 -2.331 16.197 79 HA ALA 11 HA ALA 11 -0.369 -4.024 14.314 80 1HB ALA 11 1HB ALA 11 -0.352 -1.098 13.432 81 2HB ALA 11 2HB ALA 11 -0.886 -2.375 12.335 82 3HB ALA 11 3HB ALA 11 -1.741 -2.099 13.850 83 H ASN 12 H ASN 12 0.470 -3.063 11.483 84 HA ASN 12 HA ASN 12 3.095 -2.006 11.964 85 1HB ASN 12 1HB ASN 12 2.789 -4.812 10.915 86 2HB ASN 12 2HB ASN 12 3.996 -3.820 10.103 87 1HD2 ASN 12 1HD2 ASN 12 3.673 -5.610 13.423 88 2HD2 ASN 12 2HD2 ASN 12 4.922 -6.129 12.307 89 H CYS 13 H CYS 13 0.476 -1.419 10.662 90 HA CYS 13 HA CYS 13 0.357 -1.223 8.059 91 1HB CYS 13 1HB CYS 13 -0.001 1.300 9.784 92 2HB CYS 13 2HB CYS 13 -0.830 0.868 8.274 93 H GLU 14 H GLU 14 2.258 -1.406 7.042 94 HA GLU 14 HA GLU 14 3.680 0.212 5.609 95 1HB GLU 14 2HB GLU 14 2.120 -1.299 4.401 96 2HB GLU 14 1HB GLU 14 0.782 -0.339 4.926 97 1HG GLU 14 1HG GLU 14 1.115 0.349 2.672 98 2HG GLU 14 2HG GLU 14 1.890 1.638 3.566 99 H TYR 15 H TYR 15 0.421 1.390 5.206 100 HA TYR 15 HA TYR 15 1.044 4.089 6.076 101 1HB TYR 15 2HB TYR 15 -0.634 3.115 4.285 102 2HB TYR 15 1HB TYR 15 -1.744 2.937 5.616 103 HD1 TYR 15 HD1 TYR 15 -2.264 5.255 6.994 104 HD2 TYR 15 HD2 TYR 15 -0.291 5.061 3.102 105 HE1 TYR 15 HE1 TYR 15 -3.025 7.579 6.497 106 HE2 TYR 15 HE2 TYR 15 -1.060 7.407 2.606 107 HH TYR 15 HH TYR 15 -3.393 8.939 3.933 108 H GLN 16 H GLN 16 -1.813 3.672 7.143 109 HA GLN 16 HA GLN 16 -0.902 3.074 9.916 110 1HB GLN 16 1HB GLN 16 -1.860 5.441 9.007 111 2HB GLN 16 2HB GLN 16 -3.361 4.737 9.593 112 1HG GLN 16 1HG GLN 16 -2.156 4.309 11.822 113 2HG GLN 16 2HG GLN 16 -0.718 5.052 11.149 114 1HE2 GLN 16 2HE2 GLN 16 -3.653 5.711 12.869 115 2HE2 GLN 16 1HE2 GLN 16 -4.229 7.042 11.883 116 H CYS 17 H CYS 17 -3.218 3.435 11.037 117 HA CYS 17 HA CYS 17 -3.568 0.488 11.046 118 1HB CYS 17 1HB CYS 17 -2.403 0.766 12.978 119 2HB CYS 17 2HB CYS 17 -2.783 2.472 13.077 120 H GLN 18 H GLN 18 -5.496 0.101 10.123 121 HA GLN 18 HA GLN 18 -7.839 1.222 11.477 122 1HB GLN 18 1HB GLN 18 -7.569 0.996 8.930 123 2HB GLN 18 2HB GLN 18 -7.730 -0.742 9.177 124 1HG GLN 18 1HG GLN 18 -9.962 -0.084 8.665 125 2HG GLN 18 2HG GLN 18 -9.973 -0.139 10.424 126 1HE2 GLN 18 1HE2 GLN 18 -8.296 2.625 8.680 127 2HE2 GLN 18 2HE2 GLN 18 -9.842 3.103 8.007 128 HA PRO 19 HA PRO 19 -8.392 -2.565 13.934 129 1HB PRO 19 1HB PRO 19 -10.488 -0.824 15.055 130 2HB PRO 19 2HB PRO 19 -9.226 -1.741 15.873 131 1HG PRO 19 1HG PRO 19 -9.149 1.022 15.540 132 2HG PRO 19 2HG PRO 19 -7.721 0.006 15.791 133 1HD PRO 19 1HD PRO 19 -8.647 1.324 13.288 134 2HD PRO 19 2HD PRO 19 -7.017 0.772 13.718 135 H LEU 20 H LEU 20 -9.240 -3.005 11.398 136 HA LEU 20 HA LEU 20 -10.083 -5.184 11.700 137 1HB LEU 20 1HB LEU 20 -10.838 -5.264 13.869 138 2HB LEU 20 2HB LEU 20 -11.886 -3.867 13.698 139 HG LEU 20 HG LEU 20 -12.587 -6.078 11.931 140 1HD1 LEU 20 1HD1 LEU 20 -12.996 -6.583 14.900 141 2HD1 LEU 20 2HD1 LEU 20 -13.317 -7.683 13.559 142 3HD1 LEU 20 3HD1 LEU 20 -11.655 -7.279 13.991 143 1HD2 LEU 20 1HD2 LEU 20 -13.884 -3.872 12.989 144 2HD2 LEU 20 2HD2 LEU 20 -14.705 -5.241 12.232 145 3HD2 LEU 20 3HD2 LEU 20 -14.530 -5.171 13.985 146 H ASN 21 H ASN 21 -12.236 -2.981 11.689 147 HA ASN 21 HA ASN 21 -14.219 -2.367 10.290 148 1HB ASN 21 2HB ASN 21 -11.948 -2.462 8.823 149 2HB ASN 21 1HB ASN 21 -12.820 -3.797 8.033 150 1HD2 ASN 21 HD2 ASN 21 -12.085 -1.067 7.015 151 H GLN 22 H GLN 22 -13.442 -5.706 10.651 152 HA GLN 22 HA GLN 22 -14.933 -7.472 9.807 153 1HB GLN 22 1HB GLN 22 -15.401 -5.345 7.686 154 2HB GLN 22 2HB GLN 22 -15.646 -7.029 7.287 155 1HG GLN 22 1HG GLN 22 -16.961 -6.493 9.822 156 2HG GLN 22 2HG GLN 22 -17.470 -5.286 8.646 157 1HE2 GLN 22 1HE2 GLN 22 -19.804 -7.006 8.843 158 2HE2 GLN 22 2HE2 GLN 22 -19.576 -6.536 7.169 159 H THR 23 H THR 23 -12.715 -5.390 8.022 160 HA THR 23 HA THR 23 -11.199 -7.394 6.801 161 HB THR 23 HB THR 23 -9.699 -5.292 8.360 162 HG1 THR 23 HG1 THR 23 -10.432 -3.816 6.705 163 1HG2 THR 23 1HG2 THR 23 -9.540 -6.564 5.628 164 2HG2 THR 23 2HG2 THR 23 -8.949 -4.911 5.790 165 3HG2 THR 23 3HG2 THR 23 -8.244 -6.199 6.769 166 H SER 24 H SER 24 -11.528 -6.521 9.928 167 HA SER 24 HA SER 24 -10.512 -7.033 11.967 168 1HB SER 24 1HB SER 24 -10.147 -9.259 12.531 169 2HB SER 24 2HB SER 24 -11.565 -9.109 11.514 170 HG SER 24 HG SER 24 -9.771 -10.779 11.138 171 H TYR 25 H TYR 25 -8.613 -6.702 12.817 172 HA TYR 25 HA TYR 25 -8.404 -4.632 11.019 173 1HB TYR 25 2HB TYR 25 -7.037 -3.461 12.814 174 2HB TYR 25 1HB TYR 25 -8.289 -4.489 13.525 175 HD1 TYR 25 HD1 TYR 25 -7.712 -6.703 14.569 176 HD2 TYR 25 HD2 TYR 25 -4.670 -3.952 13.087 177 HE1 TYR 25 HE1 TYR 25 -5.946 -7.981 15.826 178 HE2 TYR 25 HE2 TYR 25 -2.901 -5.233 14.338 179 HH TYR 25 HH TYR 25 -2.541 -7.449 15.340 180 H LEU 26 H LEU 26 -6.894 -3.458 10.183 181 HA LEU 26 HA LEU 26 -5.616 -5.528 8.549 182 1HB LEU 26 2HB LEU 26 -6.622 -4.487 6.668 183 2HB LEU 26 1HB LEU 26 -7.770 -4.656 8.010 184 HG LEU 26 HG LEU 26 -6.593 -2.135 8.344 185 1HD1 LEU 26 1HD1 LEU 26 -7.885 -2.301 5.616 186 2HD1 LEU 26 2HD1 LEU 26 -6.872 -1.016 6.290 187 3HD1 LEU 26 3HD1 LEU 26 -6.144 -2.551 5.786 188 1HD2 LEU 26 1HD2 LEU 26 -8.777 -2.537 9.146 189 2HD2 LEU 26 2HD2 LEU 26 -9.129 -1.603 7.680 190 3HD2 LEU 26 3HD2 LEU 26 -9.268 -3.369 7.674 191 H CYS 27 H CYS 27 -4.945 -3.196 6.622 192 HA CYS 27 HA CYS 27 -4.192 -1.211 8.636 193 1HB CYS 27 1HB CYS 27 -2.133 -2.219 6.677 194 2HB CYS 27 2HB CYS 27 -2.045 -0.561 7.293 195 H VAL 28 H VAL 28 -4.442 0.789 8.092 196 HA VAL 28 HA VAL 28 -6.316 1.401 6.104 197 HB VAL 28 HB VAL 28 -6.264 3.568 6.934 198 1HG1 VAL 28 1HG1 VAL 28 -6.494 2.895 9.077 199 2HG1 VAL 28 2HG1 VAL 28 -5.081 1.866 9.103 200 3HG1 VAL 28 3HG1 VAL 28 -4.913 3.599 9.243 201 1HG2 VAL 28 1HG2 VAL 28 -4.433 4.557 6.002 202 2HG2 VAL 28 2HG2 VAL 28 -4.030 4.653 7.717 203 3HG2 VAL 28 3HG2 VAL 28 -3.317 3.393 6.709 204 H CYS 29 H CYS 29 -6.148 2.425 4.131 205 HA CYS 29 HA CYS 29 -3.548 1.815 2.910 206 1HB CYS 29 1HB CYS 29 -6.367 1.373 2.220 207 2HB CYS 29 2HB CYS 29 -5.393 1.893 0.847 208 H ALA 30 H ALA 30 -5.862 3.989 2.957 209 HA ALA 30 HA ALA 30 -6.274 6.244 2.155 210 1HB ALA 30 1HB ALA 30 -3.398 6.876 1.865 211 2HB ALA 30 2HB ALA 30 -4.518 7.427 3.114 212 3HB ALA 30 3HB ALA 30 -3.676 5.889 3.301 213 H GLU 31 H GLU 31 -7.183 5.446 0.115 214 HA GLU 31 HA GLU 31 -5.850 3.844 -1.363 215 1HB GLU 31 2HB GLU 31 -7.862 3.743 -2.371 216 2HB GLU 31 1HB GLU 31 -8.355 4.981 -1.277 217 1HG GLU 31 1HG GLU 31 -7.213 5.601 -4.032 218 2HG GLU 31 2HG GLU 31 -8.936 5.525 -3.647 219 H GLY 32 H GLY 32 -5.747 4.524 -4.278 220 1HA GLY 32 2HA GLY 32 -3.307 4.846 -4.815 221 2HA GLY 32 1HA GLY 32 -3.064 4.763 -3.039 222 H PHE 33 H PHE 33 -5.140 2.541 -2.761 223 HA PHE 33 HA PHE 33 -2.604 1.009 -2.461 224 1HB PHE 33 2HB PHE 33 -3.845 2.980 -0.427 225 2HB PHE 33 1HB PHE 33 -2.746 1.665 0.023 226 HD1 PHE 33 HD1 PHE 33 -2.650 5.043 -0.533 227 HD2 PHE 33 HD2 PHE 33 -0.669 1.371 -1.757 228 HE1 PHE 33 HE1 PHE 33 -0.544 6.336 -0.984 229 HE2 PHE 33 HE2 PHE 33 1.457 2.624 -2.154 230 HZ PHE 33 HZ PHE 33 1.525 5.135 -1.801 231 H ALA 34 H ALA 34 -3.285 -0.878 -2.784 232 HA ALA 34 HA ALA 34 -5.179 -2.013 -0.924 233 1HB ALA 34 1HB ALA 34 -5.932 -1.543 -3.861 234 2HB ALA 34 2HB ALA 34 -6.695 -2.830 -2.930 235 3HB ALA 34 3HB ALA 34 -6.881 -1.148 -2.430 236 HA PRO 35 HA PRO 35 -2.472 -4.315 -0.383 237 1HB PRO 35 1HB PRO 35 -3.435 -7.065 -0.489 238 2HB PRO 35 2HB PRO 35 -3.301 -6.017 0.921 239 1HG PRO 35 1HG PRO 35 -5.719 -6.785 -0.478 240 2HG PRO 35 2HG PRO 35 -5.583 -5.752 0.940 241 1HD PRO 35 2HD PRO 35 -6.207 -4.930 -1.768 242 2HD PRO 35 1HD PRO 35 -5.997 -3.882 -0.355 243 H ILE 36 H ILE 36 -1.084 -3.910 -2.162 244 HA ILE 36 HA ILE 36 -0.276 -5.473 -4.125 245 HB ILE 36 HB ILE 36 1.250 -3.865 -3.337 246 1HG1 ILE 36 1HG1 ILE 36 2.220 -6.395 -3.780 247 2HG1 ILE 36 2HG1 ILE 36 3.128 -4.908 -3.737 248 1HG2 ILE 36 1HG2 ILE 36 0.693 -3.420 -1.118 249 2HG2 ILE 36 2HG2 ILE 36 0.718 -5.117 -0.691 250 3HG2 ILE 36 3HG2 ILE 36 2.232 -4.222 -0.860 251 1HD1 ILE 36 1HD1 ILE 36 2.528 -6.400 -1.170 252 2HD1 ILE 36 2HD1 ILE 36 3.899 -6.861 -2.200 253 3HD1 ILE 36 3HD1 ILE 36 3.822 -5.238 -1.495 254 HA PRO 37 HA PRO 37 0.109 -9.837 -2.911 255 1HB PRO 37 1HB PRO 37 2.625 -9.631 -4.462 256 2HB PRO 37 2HB PRO 37 1.267 -10.733 -4.724 257 1HG PRO 37 1HG PRO 37 1.862 -8.435 -6.280 258 2HG PRO 37 2HG PRO 37 0.332 -9.305 -6.302 259 1HD PRO 37 1HD PRO 37 0.873 -6.659 -5.213 260 2HD PRO 37 2HD PRO 37 -0.691 -7.486 -5.309 261 H HIS 38 H HIS 38 1.657 -8.582 -0.227 262 HA HIS 38 HA HIS 38 0.586 -11.033 -1.404 263 1HB HIS 38 1HB HIS 38 1.375 -11.531 1.356 264 2HB HIS 38 2HB HIS 38 1.749 -12.507 -0.072 265 HD1 HIS 38 HD1 HIS 38 3.839 -11.428 2.538 266 HD2 HIS 38 HD2 HIS 38 3.734 -10.740 -1.572 267 HE1 HIS 38 HE1 HIS 38 5.746 -9.716 1.975 268 H GLU 39 H GLU 39 0.472 -8.669 0.713 269 HA GLU 39 HA GLU 39 -1.010 -10.256 2.713 270 1HB GLU 39 2HB GLU 39 0.705 -7.876 3.484 271 2HB GLU 39 1HB GLU 39 0.344 -9.313 4.437 272 1HG GLU 39 1HG GLU 39 1.896 -9.704 1.888 273 2HG GLU 39 2HG GLU 39 2.761 -8.976 3.146 274 HA PRO 40 HA PRO 40 -3.651 -6.699 3.951 275 1HB PRO 40 1HB PRO 40 -3.702 -7.654 6.668 276 2HB PRO 40 2HB PRO 40 -5.002 -7.758 5.486 277 1HG PRO 40 1HG PRO 40 -3.315 -9.915 6.472 278 2HG PRO 40 2HG PRO 40 -4.671 -10.027 5.357 279 1HD PRO 40 1HD PRO 40 -1.835 -10.224 4.722 280 2HD PRO 40 2HD PRO 40 -3.202 -10.345 3.603 281 H HIS 41 H HIS 41 -1.159 -5.667 3.664 282 HA HIS 41 HA HIS 41 -2.371 -3.835 5.483 283 1HB HIS 41 2HB HIS 41 -0.034 -3.061 6.395 284 2HB HIS 41 1HB HIS 41 -0.916 -4.349 7.209 285 HD1 HIS 41 HD1 HIS 41 -0.118 -6.941 5.610 286 HD2 HIS 41 HD2 HIS 41 2.461 -3.679 6.386 287 HE1 HIS 41 HE1 HIS 41 2.262 -7.857 5.436 288 H ARG 42 H ARG 42 0.699 -3.514 4.665 289 HA ARG 42 HA ARG 42 2.062 -3.154 2.881 290 1HB ARG 42 2HB ARG 42 -0.256 -4.402 1.355 291 2HB ARG 42 1HB ARG 42 1.457 -4.456 0.999 292 1HG ARG 42 1HG ARG 42 1.026 -5.479 3.660 293 2HG ARG 42 2HG ARG 42 -0.007 -6.311 2.483 294 1HD ARG 42 2HD ARG 42 1.822 -7.549 1.829 295 2HD ARG 42 1HD ARG 42 2.584 -6.072 1.236 296 HE ARG 42 HE ARG 42 2.924 -6.324 4.062 297 1HH1 ARG 42 2HH2 ARG 42 4.063 -7.011 0.798 298 2HH1 ARG 42 1HH2 ARG 42 5.399 -7.984 1.314 299 1HH2 ARG 42 2HH1 ARG 42 5.128 -6.927 4.653 300 2HH2 ARG 42 1HH1 ARG 42 6.032 -7.916 3.552 301 H CYS 43 H CYS 43 -0.985 -2.413 2.017 302 HA CYS 43 HA CYS 43 -0.968 -2.345 -0.699 303 1HB CYS 43 2HB CYS 43 -2.184 -0.047 -0.708 304 2HB CYS 43 1HB CYS 43 -2.983 -1.521 -0.176 305 H GLN 44 H GLN 44 -0.208 -1.380 -2.428 306 HA GLN 44 HA GLN 44 1.725 0.654 -1.896 307 1HB GLN 44 2HB GLN 44 2.385 -2.070 -1.314 308 2HB GLN 44 1HB GLN 44 3.167 -1.769 -2.845 309 1HG GLN 44 1HG GLN 44 4.034 0.463 -1.612 310 2HG GLN 44 2HG GLN 44 3.706 -0.473 -0.159 311 1HE2 GLN 44 2HE2 GLN 44 4.286 -3.022 -0.880 312 2HE2 GLN 44 1HE2 GLN 44 6.035 -3.059 -0.762 313 H MET 45 H MET 45 1.593 1.750 -4.179 314 HA MET 45 HA MET 45 -0.992 1.185 -3.720 315 1HB MET 45 1HB MET 45 -1.424 1.929 -6.293 316 2HB MET 45 2HB MET 45 -0.712 3.075 -5.176 317 1HG MET 45 1HG MET 45 0.550 3.062 -7.277 318 2HG MET 45 2HG MET 45 1.571 2.385 -6.021 319 1HE MET 45 1HE MET 45 2.984 -0.322 -8.018 320 2HE MET 45 2HE MET 45 3.143 1.428 -7.791 321 3HE MET 45 3HE MET 45 2.921 0.372 -6.388 322 H PHE 46 H PHE 46 -2.741 -0.226 -4.433 323 HA PHE 46 HA PHE 46 -2.583 -2.506 -5.628 324 1HB PHE 46 1HB PHE 46 -4.822 -2.122 -5.744 325 2HB PHE 46 2HB PHE 46 -4.491 -0.554 -5.112 326 HD1 PHE 46 HD1 PHE 46 -4.448 1.496 -6.498 327 HD2 PHE 46 HD2 PHE 46 -5.490 -2.404 -8.144 328 HE1 PHE 46 HE1 PHE 46 -5.415 2.616 -8.534 329 HE2 PHE 46 HE2 PHE 46 -6.458 -1.287 -10.184 330 HZ PHE 46 HZ PHE 46 -6.415 1.225 -10.380 331 H CYS 47 H CYS 47 -1.515 -3.382 -7.250 332 HA CYS 47 HA CYS 47 -0.601 -1.434 -9.293 333 1HB CYS 47 2HB CYS 47 1.469 -1.771 -8.372 334 2HB CYS 47 1HB CYS 47 0.925 -3.159 -7.455 335 H ASN 48 H ASN 48 -0.092 -5.017 -8.968 336 HA ASN 48 HA ASN 48 -1.565 -6.640 -9.617 337 1HB ASN 48 2HB ASN 48 -3.214 -4.150 -9.757 338 2HB ASN 48 1HB ASN 48 -3.789 -5.431 -10.816 339 1HD2 ASN 48 HD2 ASN 48 -4.954 -7.010 -10.044 340 H GLN 49 H GLN 49 0.460 -6.534 -11.867 341 HA GLN 49 HA GLN 49 -1.340 -8.575 -11.305 342 1HB GLN 49 2HB GLN 49 -2.003 -9.201 -13.730 343 2HB GLN 49 1HB GLN 49 -2.853 -7.851 -13.022 344 1HG GLN 49 2HG GLN 49 -2.114 -6.459 -14.671 345 2HG GLN 49 1HG GLN 49 -0.438 -6.861 -14.321 346 1HE2 GLN 49 2HE2 GLN 49 -0.873 -6.367 -16.774 347 2HE2 GLN 49 1HE2 GLN 49 -0.897 -7.799 -17.785 348 H THR 50 H THR 50 0.051 -8.890 -14.583 349 HA THR 50 HA THR 50 2.680 -9.122 -13.275 350 HB THR 50 HB THR 50 3.548 -9.407 -15.627 351 HG1 THR 50 HG1 THR 50 1.365 -9.734 -16.927 352 1HG2 THR 50 1HG2 THR 50 2.501 -11.575 -16.108 353 2HG2 THR 50 2HG2 THR 50 1.085 -11.160 -15.143 354 3HG2 THR 50 3HG2 THR 50 2.643 -11.422 -14.357 355 H ALA 51 H ALA 51 0.880 -6.687 -13.366 356 HA ALA 51 HA ALA 51 1.531 -4.644 -12.617 357 1HB ALA 51 1HB ALA 51 2.667 -6.032 -10.990 358 2HB ALA 51 2HB ALA 51 3.908 -4.886 -11.492 359 3HB ALA 51 3HB ALA 51 3.904 -6.522 -12.153 360 H CYS 52 H CYS 52 4.054 -3.191 -12.544 361 HA CYS 52 HA CYS 52 1.609 -2.507 -14.005 362 1HB CYS 52 2HB CYS 52 1.583 -0.963 -11.759 363 2HB CYS 52 1HB CYS 52 0.948 -2.571 -11.856 364 HA PRO 53 HA PRO 53 5.748 -0.966 -14.138 365 1HB PRO 53 2HB PRO 53 6.053 0.196 -16.788 366 2HB PRO 53 1HB PRO 53 6.669 -1.344 -16.206 367 1HG PRO 53 2HG PRO 53 4.446 -0.904 -17.996 368 2HG PRO 53 1HG PRO 53 5.052 -2.448 -17.399 369 1HD PRO 53 2HD PRO 53 2.593 -1.102 -16.630 370 2HD PRO 53 1HD PRO 53 3.208 -2.642 -16.012 371 H ALA 54 H ALA 54 7.178 0.824 -14.073 372 HA ALA 54 HA ALA 54 6.870 3.416 -13.947 373 1HB ALA 54 1HB ALA 54 9.065 3.482 -14.722 374 2HB ALA 54 2HB ALA 54 8.637 2.773 -16.277 375 3HB ALA 54 3HB ALA 54 8.880 1.732 -14.887 376 H ASP 55 H ASP 55 7.916 4.354 -16.608 377 HA ASP 55 HA ASP 55 7.171 5.740 -18.137 378 1HB ASP 55 2HB ASP 55 6.830 3.822 -19.415 379 2HB ASP 55 1HB ASP 55 5.622 3.189 -18.322 380 H CYS 56 H CYS 56 6.074 6.458 -15.410 381 HA CYS 56 HA CYS 56 4.425 8.358 -15.872 382 1HB CYS 56 2HB CYS 56 7.293 9.191 -15.740 383 2HB CYS 56 1HB CYS 56 5.915 9.554 -14.685 384 H ASP 57 H ASP 57 4.855 10.580 -16.856 385 HA ASP 57 HA ASP 57 5.723 11.948 -18.575 386 1HB ASP 57 2HB ASP 57 7.076 12.394 -16.651 387 2HB ASP 57 1HB ASP 57 7.856 10.823 -16.717 388 HA PRO 58 HA PRO 58 8.214 11.450 -21.776 389 1HB PRO 58 2HB PRO 58 6.225 13.394 -22.631 390 2HB PRO 58 1HB PRO 58 6.912 12.071 -23.563 391 1HG PRO 58 2HG PRO 58 4.257 12.227 -22.416 392 2HG PRO 58 1HG PRO 58 4.939 10.907 -23.357 393 1HD PRO 58 2HD PRO 58 4.426 10.946 -20.501 394 2HD PRO 58 1HD PRO 58 5.140 9.629 -21.443 395 H ASN 59 H ASN 59 5.673 13.570 -20.310 396 HA ASN 59 HA ASN 59 7.841 15.510 -20.035 397 1HB ASN 59 2HB ASN 59 5.322 15.595 -21.343 398 2HB ASN 59 1HB ASN 59 5.064 16.526 -19.861 399 1HD2 ASN 59 1HD2 ASN 59 6.600 16.322 -22.938 400 2HD2 ASN 59 2HD2 ASN 59 6.989 18.029 -23.064 401 H THR 60 H THR 60 5.231 14.186 -18.674 402 HA THR 60 HA THR 60 4.640 16.706 -17.533 403 HB THR 60 HB THR 60 2.366 16.060 -17.305 404 HG1 THR 60 HG1 THR 60 2.218 14.619 -15.879 405 1HG2 THR 60 1HG2 THR 60 1.848 14.918 -19.271 406 2HG2 THR 60 2HG2 THR 60 3.043 13.654 -18.979 407 3HG2 THR 60 3HG2 THR 60 3.555 15.224 -19.597 408 H GLN 61 H GLN 61 6.564 14.849 -16.034 409 HA GLN 61 HA GLN 61 6.003 13.007 -14.534 410 1HB GLN 61 2HB GLN 61 7.317 13.534 -12.654 411 2HB GLN 61 1HB GLN 61 7.935 14.574 -13.909 412 1HG GLN 61 2HG GLN 61 6.434 15.302 -11.411 413 2HG GLN 61 1HG GLN 61 7.736 16.159 -12.220 414 1HE2 GLN 61 2HE2 GLN 61 7.212 17.749 -13.857 415 2HE2 GLN 61 1HE2 GLN 61 5.834 17.403 -14.885 416 H ALA 62 H ALA 62 5.613 13.924 -11.676 417 HA ALA 62 HA ALA 62 3.987 12.793 -10.465 418 1HB ALA 62 1HB ALA 62 1.835 14.507 -10.516 419 2HB ALA 62 2HB ALA 62 3.046 15.535 -11.283 420 3HB ALA 62 3HB ALA 62 3.330 14.891 -9.668 421 H SER 63 H SER 63 4.048 11.854 -13.247 422 HA SER 63 HA SER 63 1.340 10.827 -13.383 423 1HB SER 63 2HB SER 63 2.607 10.687 -15.437 424 2HB SER 63 1HB SER 63 3.965 9.919 -14.615 425 HG SER 63 HG SER 63 2.616 8.521 -15.779 426 H CYS 64 H CYS 64 3.819 8.828 -13.265 427 HA CYS 64 HA CYS 64 3.100 6.780 -11.640 428 1HB CYS 64 2HB CYS 64 5.635 6.915 -10.590 429 2HB CYS 64 1HB CYS 64 5.291 6.306 -12.189 430 H GLU 65 H GLU 65 1.695 7.101 -10.097 431 HA GLU 65 HA GLU 65 1.910 9.209 -8.234 432 1HB GLU 65 1HB GLU 65 -0.105 7.668 -9.045 433 2HB GLU 65 2HB GLU 65 0.332 6.657 -7.696 434 1HG GLU 65 2HG GLU 65 -1.301 8.048 -6.717 435 2HG GLU 65 1HG GLU 65 0.198 8.840 -6.243 436 H CYS 66 H CYS 66 3.791 6.723 -8.327 437 HA CYS 66 HA CYS 66 2.739 5.181 -6.388 438 1HB CYS 66 1HB CYS 66 5.397 4.323 -7.319 439 2HB CYS 66 2HB CYS 66 3.802 3.644 -7.688 440 HA PRO 67 HA PRO 67 2.724 4.622 -3.782 441 1HB PRO 67 1HB PRO 67 4.050 3.030 -1.874 442 2HB PRO 67 2HB PRO 67 3.108 2.445 -3.255 443 1HG PRO 67 2HG PRO 67 6.043 2.449 -2.942 444 2HG PRO 67 1HG PRO 67 5.048 1.547 -4.079 445 1HD PRO 67 2HD PRO 67 6.605 3.894 -4.660 446 2HD PRO 67 1HD PRO 67 5.465 3.090 -5.752 447 H GLU 68 H GLU 68 5.319 4.234 -1.955 448 HA GLU 68 HA GLU 68 4.553 5.764 0.154 449 1HB GLU 68 2HB GLU 68 7.483 5.158 -0.430 450 2HB GLU 68 1HB GLU 68 6.861 5.620 1.136 451 1HG GLU 68 2HG GLU 68 5.257 3.576 0.940 452 2HG GLU 68 1HG GLU 68 6.259 3.064 -0.415 453 H GLY 69 H GLY 69 4.424 7.872 -2.012 454 1HA GLY 69 2HA GLY 69 5.888 8.654 -3.636 455 2HA GLY 69 1HA GLY 69 6.658 9.465 -2.235 456 H TYR 70 H TYR 70 6.733 6.529 -4.322 457 HA TYR 70 HA TYR 70 8.701 5.779 -5.264 458 1HB TYR 70 2HB TYR 70 10.017 7.776 -6.170 459 2HB TYR 70 1HB TYR 70 8.292 7.866 -6.455 460 HD1 TYR 70 HD1 TYR 70 11.159 9.304 -4.600 461 HD2 TYR 70 HD2 TYR 70 6.841 9.453 -5.194 462 HE1 TYR 70 HE1 TYR 70 11.072 11.529 -3.424 463 HE2 TYR 70 HE2 TYR 70 6.749 11.664 -3.994 464 HH TYR 70 HH TYR 70 8.055 13.023 -2.464 465 H ILE 71 H ILE 71 9.919 4.524 -3.487 466 HA ILE 71 HA ILE 71 12.170 5.851 -4.778 467 HB ILE 71 HB ILE 71 12.170 5.963 -2.111 468 1HG1 ILE 71 1HG1 ILE 71 14.870 5.505 -2.517 469 2HG1 ILE 71 2HG1 ILE 71 14.308 5.855 -4.135 470 1HG2 ILE 71 1HG2 ILE 71 13.943 3.570 -2.247 471 2HG2 ILE 71 2HG2 ILE 71 12.208 3.251 -2.288 472 3HG2 ILE 71 3HG2 ILE 71 12.907 4.141 -0.938 473 1HD1 ILE 71 1HD1 ILE 71 13.943 7.632 -1.669 474 2HD1 ILE 71 2HD1 ILE 71 13.187 7.964 -3.227 475 3HD1 ILE 71 3HD1 ILE 71 14.945 7.974 -3.080 476 H LEU 72 H LEU 72 10.626 2.558 -4.054 477 HA LEU 72 HA LEU 72 10.018 1.825 -6.174 478 1HB LEU 72 1HB LEU 72 8.798 3.900 -5.976 479 2HB LEU 72 2HB LEU 72 10.268 4.821 -6.030 480 HG LEU 72 HG LEU 72 9.886 3.355 -8.521 481 1HD1 LEU 72 1HD1 LEU 72 7.870 5.100 -9.042 482 2HD1 LEU 72 2HD1 LEU 72 7.523 4.769 -7.343 483 3HD1 LEU 72 3HD1 LEU 72 7.571 3.445 -8.498 484 1HD2 LEU 72 1HD2 LEU 72 9.637 6.295 -8.523 485 2HD2 LEU 72 2HD2 LEU 72 10.829 5.262 -9.330 486 3HD2 LEU 72 3HD2 LEU 72 11.046 5.713 -7.636 487 H ASP 73 H ASP 73 10.604 1.615 -8.584 488 HA ASP 73 HA ASP 73 13.479 1.206 -8.221 489 1HB ASP 73 2HB ASP 73 11.423 -0.998 -7.727 490 2HB ASP 73 1HB ASP 73 13.181 -1.220 -7.731 491 H ASP 74 H ASP 74 13.358 2.000 -10.174 492 HA ASP 74 HA ASP 74 14.109 1.598 -12.385 493 1HB ASP 74 2HB ASP 74 15.174 -0.224 -10.446 494 2HB ASP 74 1HB ASP 74 14.794 -1.236 -11.837 495 H GLY 75 H GLY 75 12.056 1.353 -14.074 496 1HA GLY 75 2HA GLY 75 9.836 0.956 -13.338 497 2HA GLY 75 1HA GLY 75 10.457 0.145 -11.909 498 H PHE 76 H PHE 76 9.494 2.766 -13.333 499 HA PHE 76 HA PHE 76 9.982 4.552 -10.988 500 1HB PHE 76 2HB PHE 76 9.209 5.204 -13.739 501 2HB PHE 76 1HB PHE 76 7.984 5.813 -12.644 502 HD1 PHE 76 HD1 PHE 76 9.105 6.927 -10.352 503 HD2 PHE 76 HD2 PHE 76 10.941 6.679 -14.301 504 HE1 PHE 76 HE1 PHE 76 10.583 8.884 -9.788 505 HE2 PHE 76 HE2 PHE 76 12.419 8.636 -13.738 506 HZ PHE 76 HZ PHE 76 12.239 9.741 -11.482 507 H ILE 77 H ILE 77 8.880 2.197 -10.609 508 HA ILE 77 HA ILE 77 6.788 1.928 -12.184 509 HB ILE 77 HB ILE 77 7.474 -0.079 -11.979 510 1HG1 ILE 77 1HG1 ILE 77 5.227 -0.515 -11.217 511 2HG1 ILE 77 2HG1 ILE 77 6.353 -1.654 -10.546 512 1HG2 ILE 77 1HG2 ILE 77 8.227 0.181 -9.065 513 2HG2 ILE 77 2HG2 ILE 77 9.272 0.649 -10.406 514 3HG2 ILE 77 3HG2 ILE 77 8.778 -1.034 -10.237 515 1HD1 ILE 77 1HD1 ILE 77 6.304 0.364 -8.587 516 2HD1 ILE 77 2HD1 ILE 77 5.473 -1.190 -8.501 517 3HD1 ILE 77 3HD1 ILE 77 4.622 0.232 -9.102 518 H CYS 78 H CYS 78 4.591 0.900 -11.558 519 HA CYS 78 HA CYS 78 3.322 2.458 -9.485 520 1HB CYS 78 2HB CYS 78 3.774 3.776 -11.941 521 2HB CYS 78 1HB CYS 78 2.061 3.506 -11.963 522 H THR 79 H THR 79 1.452 1.865 -12.476 523 HA THR 79 HA THR 79 0.023 -0.095 -10.840 524 HB THR 79 HB THR 79 -0.462 2.283 -9.967 525 HG1 THR 79 HG1 THR 79 -2.731 1.016 -10.939 526 1HG2 THR 79 1HG2 THR 79 -1.140 3.882 -11.434 527 2HG2 THR 79 2HG2 THR 79 -2.560 2.912 -11.835 528 3HG2 THR 79 3HG2 THR 79 -1.071 2.726 -12.761 529 H ASP 80 H ASP 80 1.111 -0.542 -13.234 530 HA ASP 80 HA ASP 80 0.507 -1.429 -15.275 531 1HB ASP 80 1HB ASP 80 -0.572 -2.636 -13.132 532 2HB ASP 80 2HB ASP 80 -2.100 -2.179 -13.907 533 H ILE 81 H ILE 81 -1.855 -1.961 -16.533 534 HA ILE 81 HA ILE 81 -2.873 0.134 -17.790 535 HB ILE 81 HB ILE 81 -4.480 -2.077 -16.458 536 1HG1 ILE 81 2HG1 ILE 81 -2.694 -2.673 -18.151 537 2HG1 ILE 81 1HG1 ILE 81 -4.301 -3.262 -18.502 538 1HG2 ILE 81 1HG2 ILE 81 -6.178 -1.516 -18.365 539 2HG2 ILE 81 2HG2 ILE 81 -5.396 0.064 -18.397 540 3HG2 ILE 81 3HG2 ILE 81 -6.179 -0.503 -16.921 541 1HD1 ILE 81 1HD1 ILE 81 -4.574 -1.078 -19.949 542 2HD1 ILE 81 2HD1 ILE 81 -3.568 -2.376 -20.592 543 3HD1 ILE 81 3HD1 ILE 81 -2.816 -0.968 -19.842 544 H ASP 82 H ASP 82 -3.568 2.249 -17.137 545 HA ASP 82 HA ASP 82 -6.239 1.508 -16.294 546 1HB ASP 82 1HB ASP 82 -5.242 2.389 -14.149 547 2HB ASP 82 2HB ASP 82 -4.826 3.894 -14.962 548 H GLU 83 H GLU 83 -5.851 2.368 -19.232 549 HA GLU 83 HA GLU 83 -8.214 2.406 -17.525 550 1HB GLU 83 1HB GLU 83 -9.554 3.596 -19.405 551 2HB GLU 83 2HB GLU 83 -8.500 4.608 -18.446 552 1HG GLU 83 1HG GLU 83 -7.092 3.457 -20.779 553 2HG GLU 83 2HG GLU 83 -8.486 4.424 -21.246 554 H1 NAG 121 H1 ASN 21 -14.750 0.152 6.912 555 H2 NAG 121 H2 ASN 21 -12.389 1.323 8.471 556 H3 NAG 121 H3 ASN 21 -15.061 2.711 8.101 557 H4 NAG 121 H4 ASN 21 -12.581 3.488 6.535 558 H5 NAG 121 H5 ASN 21 -14.950 1.886 5.483 559 1H6 NAG 121 1H6 ASN 21 -12.699 3.369 4.189 560 2H6 NAG 121 2H6 ASN 21 -14.282 2.943 3.540 561 1H8 NAG 121 1H8 ASN 21 -11.802 0.822 11.690 562 2H8 NAG 121 2H8 ASN 21 -12.880 -0.587 11.721 563 3H8 NAG 121 3H8 ASN 21 -11.964 -0.202 10.250 564 HN2 NAG 121 HN2 ASN 21 -14.874 0.101 9.303 565 HO4 NAG 121 HO4 ASN 21 -14.652 4.255 5.357 566 HO3 NAG 121 HO3 ASN 21 -13.534 4.457 8.569 567 HO6 NAG 121 H6 ASN 21 -12.569 0.873 4.055 568 H1 NAG 148 H1 ASN 48 -4.417 -8.069 -7.436 569 H2 NAG 148 H2 ASN 48 -6.494 -5.988 -7.721 570 H3 NAG 148 H3 ASN 48 -8.051 -7.289 -6.091 571 H4 NAG 148 H4 ASN 48 -8.172 -9.757 -6.684 572 H5 NAG 148 H5 ASN 48 -5.369 -10.138 -7.163 573 1H6 NAG 148 1H6 ASN 48 -7.886 -10.743 -8.786 574 2H6 NAG 148 2H6 ASN 48 -6.990 -11.851 -7.747 575 1H8 NAG 148 1H8 ASN 48 -4.500 -4.097 -5.776 576 2H8 NAG 148 2H8 ASN 48 -5.430 -3.676 -4.325 577 3H8 NAG 148 3H8 ASN 48 -4.282 -5.035 -4.287 578 HN2 NAG 148 HN2 ASN 48 -4.901 -7.093 -5.565 579 HO4 NAG 148 HO4 ASN 48 -6.229 -10.151 -5.361 580 HO3 NAG 148 HO3 ASN 48 -8.006 -6.973 -8.636 581 HO6 NAG 148 H6 ASN 48 -5.305 -10.862 -9.462 Start of MODEL 6 1 1H HIS 1 1H HIS 1 -0.056 -9.592 25.330 2 2H HIS 1 2H HIS 1 -0.959 -9.926 26.729 3 3H HIS 1 3H HIS 1 -0.219 -8.409 26.538 4 HA HIS 1 HA HIS 1 0.843 -10.039 28.068 5 1HB HIS 1 1HB HIS 1 0.730 -11.663 25.769 6 2HB HIS 1 2HB HIS 1 2.403 -11.155 25.830 7 HD2 HIS 1 HD2 HIS 1 -0.015 -12.206 28.714 8 HE1 HIS 1 HE1 HIS 1 3.540 -14.587 29.078 9 HE2 HIS 1 HE2 HIS 1 1.248 -14.091 30.141 10 H MET 2 H MET 2 2.510 -9.517 24.928 11 HA MET 2 HA MET 2 3.889 -7.238 26.087 12 1HB MET 2 2HB MET 2 4.506 -8.802 23.979 13 2HB MET 2 1HB MET 2 3.562 -7.628 23.095 14 1HG MET 2 1HG MET 2 5.051 -5.807 24.185 15 2HG MET 2 2HG MET 2 6.086 -7.115 24.730 16 1HE MET 2 1HE MET 2 8.469 -6.221 22.036 17 2HE MET 2 2HE MET 2 8.145 -6.671 23.720 18 3HE MET 2 3HE MET 2 7.621 -5.093 23.107 19 H GLU 3 H GLU 3 3.572 -4.971 24.623 20 HA GLU 3 HA GLU 3 2.380 -3.856 23.015 21 1HB GLU 3 2HB GLU 3 2.015 -5.159 21.049 22 2HB GLU 3 1HB GLU 3 3.265 -6.047 21.919 23 1HG GLU 3 1HG GLU 3 1.156 -7.331 22.979 24 2HG GLU 3 2HG GLU 3 0.346 -6.756 21.528 25 HA PRO 4 HA PRO 4 -1.996 -3.628 23.561 26 1HB PRO 4 1HB PRO 4 -1.403 -0.824 23.160 27 2HB PRO 4 2HB PRO 4 -2.215 -1.559 24.536 28 1HG PRO 4 1HG PRO 4 0.462 -0.472 24.454 29 2HG PRO 4 2HG PRO 4 -0.342 -1.226 25.825 30 1HD PRO 4 1HD PRO 4 1.776 -2.344 24.159 31 2HD PRO 4 2HD PRO 4 1.031 -3.075 25.587 32 H VAL 5 H VAL 5 -3.130 -2.300 21.562 33 HA VAL 5 HA VAL 5 -1.725 -3.716 19.446 34 HB VAL 5 HB VAL 5 -3.827 -5.162 21.064 35 1HG1 VAL 5 1HG2 VAL 5 -3.810 -6.821 19.504 36 2HG1 VAL 5 2HG2 VAL 5 -3.067 -5.621 18.447 37 3HG1 VAL 5 3HG2 VAL 5 -2.055 -6.768 19.325 38 1HG2 VAL 5 1HG1 VAL 5 -0.842 -5.167 21.359 39 2HG2 VAL 5 2HG1 VAL 5 -2.105 -5.358 22.581 40 3HG2 VAL 5 3HG1 VAL 5 -1.676 -6.709 21.536 41 H ASP 6 H ASP 6 -3.462 -1.386 19.737 42 HA ASP 6 HA ASP 6 -4.310 -0.357 17.918 43 1HB ASP 6 2HB ASP 6 -2.885 -0.819 16.153 44 2HB ASP 6 1HB ASP 6 -2.073 -1.783 17.349 45 HA PRO 7 HA PRO 7 -6.154 -1.844 14.507 46 1HB PRO 7 1HB PRO 7 -6.551 0.962 13.955 47 2HB PRO 7 2HB PRO 7 -7.758 -0.311 13.855 48 1HG PRO 7 1HG PRO 7 -7.560 1.779 15.851 49 2HG PRO 7 2HG PRO 7 -8.772 0.509 15.746 50 1HD PRO 7 1HD PRO 7 -6.532 0.696 17.616 51 2HD PRO 7 2HD PRO 7 -7.809 -0.528 17.574 52 H CYS 8 H CYS 8 -5.009 1.356 15.559 53 HA CYS 8 HA CYS 8 -3.050 1.208 13.417 54 1HB CYS 8 2HB CYS 8 -4.347 3.304 13.762 55 2HB CYS 8 1HB CYS 8 -3.724 3.417 15.407 56 H PHE 9 H PHE 9 -3.166 1.448 16.888 57 HA PHE 9 HA PHE 9 -0.954 2.313 17.913 58 1HB PHE 9 2HB PHE 9 -2.976 0.855 18.756 59 2HB PHE 9 1HB PHE 9 -1.798 -0.451 18.780 60 HD1 PHE 9 HD1 PHE 9 -0.064 -0.645 20.403 61 HD2 PHE 9 HD2 PHE 9 -2.473 2.981 20.157 62 HE1 PHE 9 HE1 PHE 9 0.949 0.163 22.551 63 HE2 PHE 9 HE2 PHE 9 -1.461 3.797 22.311 64 HZ PHE 9 HZ PHE 9 0.246 2.391 23.516 65 H ARG 10 H ARG 10 -0.007 -0.465 18.822 66 HA ARG 10 HA ARG 10 2.051 -1.571 18.021 67 1HB ARG 10 2HB ARG 10 -0.524 -2.633 18.275 68 2HB ARG 10 1HB ARG 10 0.074 -3.360 16.781 69 1HG ARG 10 1HG ARG 10 2.216 -3.436 18.695 70 2HG ARG 10 2HG ARG 10 0.792 -3.874 19.574 71 1HD ARG 10 1HD ARG 10 0.362 -5.810 18.171 72 2HD ARG 10 2HD ARG 10 1.468 -5.231 16.909 73 HE ARG 10 HE ARG 10 2.180 -6.678 19.302 74 1HH1 ARG 10 1HH1 ARG 10 3.955 -3.784 17.837 75 2HH1 ARG 10 2HH1 ARG 10 4.003 -4.802 16.436 76 1HH2 ARG 10 2HH2 ARG 10 4.717 -7.449 18.072 77 2HH2 ARG 10 1HH2 ARG 10 5.234 -6.310 19.270 78 H ALA 11 H ALA 11 -0.316 -1.088 15.893 79 HA ALA 11 HA ALA 11 0.189 -2.776 13.804 80 1HB ALA 11 1HB ALA 11 -1.253 -1.552 12.361 81 2HB ALA 11 2HB ALA 11 -1.667 -0.843 13.923 82 3HB ALA 11 3HB ALA 11 -0.568 0.004 12.835 83 H ASN 12 H ASN 12 1.209 -2.776 11.751 84 HA ASN 12 HA ASN 12 3.564 -0.975 11.736 85 1HB ASN 12 1HB ASN 12 4.559 -2.866 10.189 86 2HB ASN 12 2HB ASN 12 4.431 -3.221 11.908 87 1HD2 ASN 12 1HD2 ASN 12 3.467 -5.191 12.397 88 2HD2 ASN 12 2HD2 ASN 12 3.292 -6.194 10.969 89 H CYS 13 H CYS 13 0.997 -0.276 10.706 90 HA CYS 13 HA CYS 13 0.486 -0.454 8.153 91 1HB CYS 13 1HB CYS 13 0.803 2.205 9.652 92 2HB CYS 13 2HB CYS 13 0.034 2.074 8.070 93 H GLU 14 H GLU 14 1.976 -1.116 6.882 94 HA GLU 14 HA GLU 14 4.103 -0.020 5.677 95 1HB GLU 14 1HB GLU 14 2.763 -1.710 4.537 96 2HB GLU 14 2HB GLU 14 1.482 -0.565 4.240 97 1HG GLU 14 1HG GLU 14 4.285 0.021 3.214 98 2HG GLU 14 2HG GLU 14 3.238 -1.075 2.323 99 H TYR 15 H TYR 15 1.025 1.309 4.432 100 HA TYR 15 HA TYR 15 2.017 4.009 4.650 101 1HB TYR 15 2HB TYR 15 0.090 2.969 3.171 102 2HB TYR 15 1HB TYR 15 -0.957 3.332 4.537 103 HD1 TYR 15 HD1 TYR 15 -1.575 5.685 5.020 104 HD2 TYR 15 HD2 TYR 15 1.364 4.721 1.944 105 HE1 TYR 15 HE1 TYR 15 -1.772 8.017 4.103 106 HE2 TYR 15 HE2 TYR 15 1.169 7.057 1.027 107 HH TYR 15 HH TYR 15 -0.981 9.005 1.271 108 H GLN 16 H GLN 16 -0.754 4.547 5.769 109 HA GLN 16 HA GLN 16 0.031 4.163 8.630 110 1HB GLN 16 1HB GLN 16 -0.532 6.576 7.608 111 2HB GLN 16 2HB GLN 16 -2.190 6.075 7.942 112 1HG GLN 16 1HG GLN 16 -1.413 5.534 10.335 113 2HG GLN 16 2HG GLN 16 0.112 6.317 9.945 114 1HE2 GLN 16 1HE2 GLN 16 -3.500 7.360 10.582 115 2HE2 GLN 16 2HE2 GLN 16 -3.295 7.979 8.954 116 H CYS 17 H CYS 17 -2.657 5.026 9.322 117 HA CYS 17 HA CYS 17 -3.458 2.187 9.599 118 1HB CYS 17 1HB CYS 17 -4.123 4.463 11.521 119 2HB CYS 17 2HB CYS 17 -4.206 2.744 11.857 120 H GLN 18 H GLN 18 -5.207 1.856 8.000 121 HA GLN 18 HA GLN 18 -7.620 2.889 9.300 122 1HB GLN 18 1HB GLN 18 -7.116 1.853 6.798 123 2HB GLN 18 2HB GLN 18 -7.786 0.431 7.603 124 1HG GLN 18 1HG GLN 18 -9.872 1.284 7.227 125 2HG GLN 18 2HG GLN 18 -9.498 2.573 8.362 126 1HE2 GLN 18 1HE2 GLN 18 -7.736 4.118 7.302 127 2HE2 GLN 18 2HE2 GLN 18 -8.114 4.718 5.697 128 HA PRO 19 HA PRO 19 -8.760 -0.831 11.460 129 1HB PRO 19 1HB PRO 19 -10.908 0.909 12.350 130 2HB PRO 19 2HB PRO 19 -9.800 -0.053 13.324 131 1HG PRO 19 1HG PRO 19 -9.775 2.790 13.051 132 2HG PRO 19 2HG PRO 19 -8.551 1.799 13.845 133 1HD PRO 19 1HD PRO 19 -8.386 3.149 11.232 134 2HD PRO 19 2HD PRO 19 -7.089 2.390 12.171 135 H LEU 20 H LEU 20 -9.157 -1.293 9.051 136 HA LEU 20 HA LEU 20 -11.842 -1.322 8.424 137 1HB LEU 20 1HB LEU 20 -9.955 -2.739 7.262 138 2HB LEU 20 2HB LEU 20 -10.208 -3.846 8.600 139 HG LEU 20 HG LEU 20 -12.765 -3.303 8.014 140 1HD1 LEU 20 1HD1 LEU 20 -11.302 -3.019 5.361 141 2HD1 LEU 20 2HD1 LEU 20 -13.000 -3.489 5.448 142 3HD1 LEU 20 3HD1 LEU 20 -12.484 -1.929 6.086 143 1HD2 LEU 20 1HD2 LEU 20 -12.516 -5.583 8.070 144 2HD2 LEU 20 2HD2 LEU 20 -12.415 -5.469 6.316 145 3HD2 LEU 20 3HD2 LEU 20 -10.939 -5.536 7.277 146 H ASN 21 H ASN 21 -11.992 -0.986 10.307 147 HA ASN 21 HA ASN 21 -12.387 -1.906 12.917 148 1HB ASN 21 2HB ASN 21 -14.631 -0.796 13.139 149 2HB ASN 21 1HB ASN 21 -13.501 0.224 12.218 150 1HD2 ASN 21 HD2 ASN 21 -15.194 1.316 11.184 151 H GLN 22 H GLN 22 -15.220 -3.000 13.626 152 HA GLN 22 HA GLN 22 -14.645 -4.934 14.721 153 1HB GLN 22 1HB GLN 22 -12.719 -5.260 12.393 154 2HB GLN 22 2HB GLN 22 -12.551 -6.255 13.825 155 1HG GLN 22 1HG GLN 22 -15.232 -6.572 13.379 156 2HG GLN 22 2HG GLN 22 -14.683 -6.304 11.727 157 1HE2 GLN 22 1HE2 GLN 22 -12.504 -7.415 11.263 158 2HE2 GLN 22 2HE2 GLN 22 -12.593 -9.151 11.499 159 H THR 23 H THR 23 -10.961 -4.427 15.719 160 HA THR 23 HA THR 23 -11.600 -3.720 12.966 161 HB THR 23 HB THR 23 -9.355 -2.936 12.800 162 HG1 THR 23 HG1 THR 23 -8.283 -4.577 13.688 163 1HG2 THR 23 1HG2 THR 23 -9.157 -1.405 14.762 164 2HG2 THR 23 2HG2 THR 23 -10.838 -1.504 14.239 165 3HG2 THR 23 3HG2 THR 23 -10.307 -2.391 15.664 166 H SER 24 H SER 24 -11.110 -4.871 11.229 167 HA SER 24 HA SER 24 -9.262 -7.068 11.269 168 1HB SER 24 1HB SER 24 -11.115 -5.927 9.444 169 2HB SER 24 2HB SER 24 -9.559 -5.675 8.705 170 HG SER 24 HG SER 24 -10.191 -8.149 9.790 171 H TYR 25 H TYR 25 -9.386 -3.917 10.977 172 HA TYR 25 HA TYR 25 -8.110 -2.163 10.150 173 1HB TYR 25 2HB TYR 25 -6.297 -1.447 11.604 174 2HB TYR 25 1HB TYR 25 -7.516 -2.248 12.562 175 HD1 TYR 25 HD1 TYR 25 -7.189 -4.866 12.988 176 HD2 TYR 25 HD2 TYR 25 -4.015 -2.143 11.744 177 HE1 TYR 25 HE1 TYR 25 -5.467 -6.475 13.864 178 HE2 TYR 25 HE2 TYR 25 -2.291 -3.757 12.610 179 HH TYR 25 HH TYR 25 -1.944 -5.802 13.552 180 H LEU 26 H LEU 26 -6.850 -1.486 8.899 181 HA LEU 26 HA LEU 26 -6.078 -3.663 7.117 182 1HB LEU 26 2HB LEU 26 -7.673 -2.830 5.682 183 2HB LEU 26 1HB LEU 26 -8.159 -1.898 7.102 184 HG LEU 26 HG LEU 26 -6.413 -0.147 6.267 185 1HD1 LEU 26 1HD2 LEU 26 -5.497 -0.349 4.197 186 2HD1 LEU 26 2HD2 LEU 26 -5.921 -2.062 4.321 187 3HD1 LEU 26 3HD2 LEU 26 -6.996 -0.943 3.486 188 1HD2 LEU 26 1HD1 LEU 26 -8.177 1.067 5.316 189 2HD2 LEU 26 2HD1 LEU 26 -8.783 -0.317 4.417 190 3HD2 LEU 26 3HD1 LEU 26 -9.087 -0.195 6.146 191 H CYS 27 H CYS 27 -4.708 -1.103 8.310 192 HA CYS 27 HA CYS 27 -3.398 0.752 7.687 193 1HB CYS 27 1HB CYS 27 -1.978 -1.829 7.107 194 2HB CYS 27 2HB CYS 27 -1.091 -0.297 6.963 195 H VAL 28 H VAL 28 -2.291 2.037 6.044 196 HA VAL 28 HA VAL 28 -4.531 1.822 4.182 197 HB VAL 28 HB VAL 28 -2.896 4.335 4.385 198 1HG1 VAL 28 1HG2 VAL 28 -4.994 5.452 4.023 199 2HG1 VAL 28 2HG2 VAL 28 -4.971 4.087 2.911 200 3HG1 VAL 28 3HG2 VAL 28 -5.917 3.998 4.394 201 1HG2 VAL 28 1HG1 VAL 28 -3.901 3.178 6.838 202 2HG2 VAL 28 2HG1 VAL 28 -3.175 4.760 6.552 203 3HG2 VAL 28 3HG1 VAL 28 -4.909 4.544 6.404 204 H CYS 29 H CYS 29 -4.229 2.960 2.066 205 HA CYS 29 HA CYS 29 -1.848 1.720 0.921 206 1HB CYS 29 1HB CYS 29 -4.704 2.151 0.051 207 2HB CYS 29 2HB CYS 29 -3.497 1.635 -1.120 208 H ALA 30 H ALA 30 -3.864 4.163 0.546 209 HA ALA 30 HA ALA 30 -3.897 6.280 -0.701 210 1HB ALA 30 1HB ALA 30 -2.061 6.422 1.173 211 2HB ALA 30 2HB ALA 30 -0.883 6.126 -0.105 212 3HB ALA 30 3HB ALA 30 -1.884 7.578 -0.148 213 H GLU 31 H GLU 31 -4.439 5.923 -2.799 214 HA GLU 31 HA GLU 31 -3.776 3.530 -3.469 215 1HB GLU 31 1HB GLU 31 -5.497 5.546 -4.325 216 2HB GLU 31 2HB GLU 31 -4.602 5.195 -5.772 217 1HG GLU 31 1HG GLU 31 -6.282 3.577 -5.941 218 2HG GLU 31 2HG GLU 31 -5.118 2.646 -4.984 219 H GLY 32 H GLY 32 -3.363 3.196 -6.207 220 1HA GLY 32 1HA GLY 32 -1.417 2.501 -7.303 221 2HA GLY 32 2HA GLY 32 -0.465 3.580 -6.244 222 H PHE 33 H PHE 33 -2.830 1.151 -5.045 223 HA PHE 33 HA PHE 33 -0.735 -0.267 -3.636 224 1HB PHE 33 2HB PHE 33 -2.045 2.236 -2.466 225 2HB PHE 33 1HB PHE 33 -1.471 0.932 -1.412 226 HD1 PHE 33 HD1 PHE 33 0.967 0.382 -1.235 227 HD2 PHE 33 HD2 PHE 33 -0.481 3.638 -3.732 228 HE1 PHE 33 HE1 PHE 33 3.287 1.339 -1.319 229 HE2 PHE 33 HE2 PHE 33 1.844 4.602 -3.833 230 HZ PHE 33 HZ PHE 33 3.731 3.448 -2.624 231 H ALA 34 H ALA 34 -1.891 -2.067 -4.033 232 HA ALA 34 HA ALA 34 -4.243 -2.395 -2.401 233 1HB ALA 34 1HB ALA 34 -5.960 -2.596 -4.069 234 2HB ALA 34 2HB ALA 34 -5.041 -1.193 -4.620 235 3HB ALA 34 3HB ALA 34 -4.794 -2.774 -5.377 236 HA PRO 35 HA PRO 35 -1.505 -3.843 -1.791 237 1HB PRO 35 1HB PRO 35 -1.811 -5.887 0.169 238 2HB PRO 35 2HB PRO 35 -2.054 -4.147 0.380 239 1HG PRO 35 1HG PRO 35 -4.082 -6.283 0.219 240 2HG PRO 35 2HG PRO 35 -4.283 -4.623 0.747 241 1HD PRO 35 2HD PRO 35 -5.100 -5.694 -1.832 242 2HD PRO 35 1HD PRO 35 -5.128 -4.005 -1.330 243 H ILE 36 H ILE 36 0.395 -4.760 -2.211 244 HA ILE 36 HA ILE 36 1.470 -7.067 -2.668 245 HB ILE 36 HB ILE 36 2.656 -5.479 -1.385 246 1HG1 ILE 36 1HG1 ILE 36 2.747 -8.265 -0.727 247 2HG1 ILE 36 2HG1 ILE 36 4.045 -7.103 -0.813 248 1HG2 ILE 36 1HG2 ILE 36 0.589 -4.897 0.073 249 2HG2 ILE 36 2HG2 ILE 36 1.190 -6.160 1.160 250 3HG2 ILE 36 3HG2 ILE 36 2.188 -4.754 0.793 251 1HD1 ILE 36 1HD1 ILE 36 3.265 -6.378 1.572 252 2HD1 ILE 36 2HD1 ILE 36 2.322 -7.877 1.558 253 3HD1 ILE 36 3HD1 ILE 36 4.085 -7.943 1.412 254 HA PRO 37 HA PRO 37 -0.584 -10.794 -1.265 255 1HB PRO 37 1HB PRO 37 2.246 -11.369 -0.428 256 2HB PRO 37 2HB PRO 37 1.129 -12.410 -1.297 257 1HG PRO 37 1HG PRO 37 3.173 -10.912 -2.497 258 2HG PRO 37 2HG PRO 37 1.738 -11.447 -3.369 259 1HD PRO 37 1HD PRO 37 2.484 -8.744 -2.618 260 2HD PRO 37 2HD PRO 37 1.082 -9.239 -3.578 261 H HIS 38 H HIS 38 0.786 -12.337 0.683 262 HA HIS 38 HA HIS 38 -0.929 -12.664 2.431 263 1HB HIS 38 1HB HIS 38 0.582 -12.909 4.348 264 2HB HIS 38 2HB HIS 38 1.146 -13.691 2.865 265 HD1 HIS 38 HD1 HIS 38 3.388 -13.160 4.969 266 HD2 HIS 38 HD2 HIS 38 2.143 -10.369 2.053 267 HE1 HIS 38 HE1 HIS 38 5.265 -11.406 4.755 268 H GLU 39 H GLU 39 0.995 -10.507 3.940 269 HA GLU 39 HA GLU 39 -1.041 -10.867 5.929 270 1HB GLU 39 2HB GLU 39 1.403 -9.070 6.091 271 2HB GLU 39 1HB GLU 39 0.535 -9.633 7.502 272 1HG GLU 39 2HG GLU 39 1.443 -11.835 5.757 273 2HG GLU 39 1HG GLU 39 2.784 -10.769 6.035 274 HA PRO 40 HA PRO 40 -3.211 -7.035 5.184 275 1HB PRO 40 1HB PRO 40 -4.292 -7.011 7.879 276 2HB PRO 40 2HB PRO 40 -5.096 -7.352 6.356 277 1HG PRO 40 1HG PRO 40 -4.328 -9.250 8.380 278 2HG PRO 40 2HG PRO 40 -5.075 -9.599 6.825 279 1HD PRO 40 1HD PRO 40 -2.321 -10.099 7.614 280 2HD PRO 40 2HD PRO 40 -3.076 -10.462 6.054 281 H HIS 41 H HIS 41 -0.635 -6.131 5.615 282 HA HIS 41 HA HIS 41 -1.351 -3.817 7.336 283 1HB HIS 41 2HB HIS 41 1.097 -3.587 7.593 284 2HB HIS 41 1HB HIS 41 0.534 -5.099 8.355 285 HD1 HIS 41 HD1 HIS 41 1.451 -7.423 7.158 286 HD2 HIS 41 HD2 HIS 41 2.593 -3.778 5.391 287 HE1 HIS 41 HE1 HIS 41 2.377 -7.975 4.791 288 H ARG 42 H ARG 42 -1.775 -3.553 4.548 289 HA ARG 42 HA ARG 42 0.763 -4.559 3.693 290 1HB ARG 42 2HB ARG 42 -1.938 -4.466 2.316 291 2HB ARG 42 1HB ARG 42 -0.565 -5.357 1.624 292 1HG ARG 42 1HG ARG 42 -0.383 -6.145 4.058 293 2HG ARG 42 2HG ARG 42 -2.135 -5.869 4.065 294 1HD ARG 42 2HD ARG 42 -1.455 -7.262 1.611 295 2HD ARG 42 1HD ARG 42 -0.688 -8.127 2.942 296 HE ARG 42 HE ARG 42 -3.018 -8.132 3.984 297 1HH1 ARG 42 2HH1 ARG 42 -2.709 -8.516 0.203 298 2HH1 ARG 42 1HH1 ARG 42 -3.105 -10.025 0.955 299 1HH2 ARG 42 1HH2 ARG 42 -5.353 -8.156 2.966 300 2HH2 ARG 42 2HH2 ARG 42 -5.358 -7.799 1.271 301 H CYS 43 H CYS 43 -1.262 -2.595 2.051 302 HA CYS 43 HA CYS 43 -0.508 -2.748 -0.461 303 1HB CYS 43 2HB CYS 43 -0.486 0.118 0.092 304 2HB CYS 43 1HB CYS 43 -1.716 -0.916 -0.685 305 H GLN 44 H GLN 44 1.127 -2.872 -1.596 306 HA GLN 44 HA GLN 44 3.247 -0.995 -1.108 307 1HB GLN 44 1HB GLN 44 3.863 -3.071 0.213 308 2HB GLN 44 2HB GLN 44 3.930 -3.949 -1.292 309 1HG GLN 44 1HG GLN 44 5.546 -1.547 -1.553 310 2HG GLN 44 2HG GLN 44 6.020 -2.394 -0.083 311 1HE2 GLN 44 2HE2 GLN 44 6.444 -4.938 -0.412 312 2HE2 GLN 44 1HE2 GLN 44 5.929 -5.540 -1.977 313 H MET 45 H MET 45 4.080 -0.378 -2.938 314 HA MET 45 HA MET 45 1.578 -0.029 -3.864 315 1HB MET 45 1HB MET 45 2.383 1.723 -5.119 316 2HB MET 45 2HB MET 45 3.943 1.241 -4.517 317 1HG MET 45 1HG MET 45 4.482 1.190 -6.743 318 2HG MET 45 2HG MET 45 3.810 -0.417 -6.694 319 1HE MET 45 1HE MET 45 2.927 -0.901 -8.866 320 2HE MET 45 2HE MET 45 2.267 0.286 -10.007 321 3HE MET 45 3HE MET 45 3.930 0.442 -9.423 322 H PHE 46 H PHE 46 0.102 -0.728 -5.158 323 HA PHE 46 HA PHE 46 0.381 -3.377 -6.021 324 1HB PHE 46 2HB PHE 46 -1.849 -2.577 -5.631 325 2HB PHE 46 1HB PHE 46 -1.631 -1.168 -6.648 326 HD1 PHE 46 HD1 PHE 46 -0.583 -4.608 -7.704 327 HD2 PHE 46 HD2 PHE 46 -3.649 -1.519 -7.970 328 HE1 PHE 46 HE1 PHE 46 -1.634 -5.822 -9.640 329 HE2 PHE 46 HE2 PHE 46 -4.709 -2.737 -9.901 330 HZ PHE 46 HZ PHE 46 -3.701 -4.888 -10.737 331 H CYS 47 H CYS 47 1.791 -4.057 -7.639 332 HA CYS 47 HA CYS 47 0.361 -3.622 -10.050 333 1HB CYS 47 2HB CYS 47 1.788 -1.635 -10.326 334 2HB CYS 47 1HB CYS 47 3.225 -2.557 -9.920 335 H ASN 48 H ASN 48 1.249 -4.931 -11.890 336 HA ASN 48 HA ASN 48 3.432 -6.606 -11.651 337 1HB ASN 48 2HB ASN 48 2.137 -8.835 -11.083 338 2HB ASN 48 1HB ASN 48 2.549 -7.777 -9.741 339 1HD2 ASN 48 HD2 ASN 48 0.065 -6.164 -9.039 340 H GLN 49 H GLN 49 2.711 -5.823 -14.401 341 HA GLN 49 HA GLN 49 4.628 -7.547 -13.859 342 1HB GLN 49 2HB GLN 49 3.234 -9.425 -13.296 343 2HB GLN 49 1HB GLN 49 2.172 -9.161 -14.657 344 1HG GLN 49 2HG GLN 49 3.918 -9.925 -16.235 345 2HG GLN 49 1HG GLN 49 5.087 -10.057 -14.925 346 1HE2 GLN 49 1HE2 GLN 49 1.745 -10.940 -14.151 347 2HE2 GLN 49 2HE2 GLN 49 1.705 -12.380 -15.151 348 H THR 50 H THR 50 6.108 -7.600 -15.673 349 HA THR 50 HA THR 50 6.711 -6.148 -17.372 350 HB THR 50 HB THR 50 4.441 -6.762 -18.484 351 HG1 THR 50 HG1 THR 50 5.705 -4.301 -18.770 352 1HG2 THR 50 1HG2 THR 50 2.600 -5.294 -18.304 353 2HG2 THR 50 2HG2 THR 50 3.584 -3.963 -17.699 354 3HG2 THR 50 3HG2 THR 50 3.162 -5.303 -16.634 355 H ALA 51 H ALA 51 4.511 -5.394 -14.756 356 HA ALA 51 HA ALA 51 3.405 -3.405 -14.348 357 1HB ALA 51 1HB ALA 51 4.843 -1.886 -13.085 358 2HB ALA 51 2HB ALA 51 6.279 -2.416 -13.961 359 3HB ALA 51 3HB ALA 51 5.480 -3.508 -12.823 360 H CYS 52 H CYS 52 3.878 -0.441 -15.010 361 HA CYS 52 HA CYS 52 1.986 -2.590 -15.477 362 1HB CYS 52 1HB CYS 52 2.240 -0.382 -13.624 363 2HB CYS 52 2HB CYS 52 0.678 -0.260 -14.404 364 HA PRO 53 HA PRO 53 3.628 0.477 -17.094 365 1HB PRO 53 2HB PRO 53 3.017 3.192 -17.468 366 2HB PRO 53 1HB PRO 53 3.174 2.019 -18.767 367 1HG PRO 53 2HG PRO 53 0.739 3.302 -17.737 368 2HG PRO 53 1HG PRO 53 0.950 2.368 -19.218 369 1HD PRO 53 2HD PRO 53 -0.246 1.488 -16.696 370 2HD PRO 53 1HD PRO 53 -0.098 0.566 -18.201 371 H ALA 54 H ALA 54 5.003 2.153 -15.725 372 HA ALA 54 HA ALA 54 4.255 4.180 -14.208 373 1HB ALA 54 1HB ALA 54 5.464 5.602 -15.635 374 2HB ALA 54 2HB ALA 54 4.713 4.952 -17.092 375 3HB ALA 54 3HB ALA 54 5.971 4.034 -16.263 376 H ASP 55 H ASP 55 3.477 6.209 -16.376 377 HA ASP 55 HA ASP 55 1.842 7.707 -16.039 378 1HB ASP 55 1HB ASP 55 0.782 6.621 -17.790 379 2HB ASP 55 2HB ASP 55 0.643 5.114 -16.915 380 H CYS 56 H CYS 56 2.859 7.044 -13.518 381 HA CYS 56 HA CYS 56 1.541 8.279 -11.790 382 1HB CYS 56 2HB CYS 56 2.809 9.888 -14.022 383 2HB CYS 56 1HB CYS 56 3.028 9.981 -12.265 384 H ASP 57 H ASP 57 0.999 11.117 -12.752 385 HA ASP 57 HA ASP 57 -1.136 9.547 -11.485 386 1HB ASP 57 2HB ASP 57 1.150 10.917 -10.504 387 2HB ASP 57 1HB ASP 57 -0.178 11.987 -10.090 388 HA PRO 58 HA PRO 58 -4.412 11.505 -12.639 389 1HB PRO 58 2HB PRO 58 -5.574 12.588 -10.201 390 2HB PRO 58 1HB PRO 58 -5.948 11.067 -11.002 391 1HG PRO 58 2HG PRO 58 -4.469 11.420 -8.555 392 2HG PRO 58 1HG PRO 58 -4.782 9.907 -9.396 393 1HD PRO 58 2HD PRO 58 -2.267 11.381 -9.246 394 2HD PRO 58 1HD PRO 58 -2.560 9.811 -10.017 395 H ASN 59 H ASN 59 -2.450 13.729 -10.765 396 HA ASN 59 HA ASN 59 -4.119 15.940 -11.703 397 1HB ASN 59 1HB ASN 59 -3.518 15.920 -9.255 398 2HB ASN 59 2HB ASN 59 -1.797 15.869 -9.709 399 1HD2 ASN 59 1HD2 ASN 59 -1.057 17.500 -11.157 400 2HD2 ASN 59 2HD2 ASN 59 -1.410 19.165 -10.707 401 H THR 60 H THR 60 -1.043 15.144 -11.172 402 HA THR 60 HA THR 60 -0.052 17.162 -13.091 403 HB THR 60 HB THR 60 0.604 17.425 -10.738 404 HG1 THR 60 HG1 THR 60 2.036 17.681 -12.851 405 1HG2 THR 60 1HG2 THR 60 0.891 14.823 -10.636 406 2HG2 THR 60 2HG2 THR 60 1.982 15.845 -9.673 407 3HG2 THR 60 3HG2 THR 60 2.527 15.154 -11.225 408 H GLN 61 H GLN 61 -0.593 14.345 -14.041 409 HA GLN 61 HA GLN 61 0.370 12.256 -14.149 410 1HB GLN 61 1HB GLN 61 1.485 13.900 -16.057 411 2HB GLN 61 2HB GLN 61 2.937 13.348 -15.260 412 1HG GLN 61 2HG GLN 61 2.481 11.781 -17.061 413 2HG GLN 61 1HG GLN 61 2.091 10.942 -15.565 414 1HE2 GLN 61 1HE2 GLN 61 0.142 10.004 -15.412 415 2HE2 GLN 61 2HE2 GLN 61 -1.328 10.857 -15.844 416 H ALA 62 H ALA 62 3.153 11.440 -14.002 417 HA ALA 62 HA ALA 62 5.107 11.628 -12.760 418 1HB ALA 62 1HB ALA 62 5.429 13.405 -14.384 419 2HB ALA 62 2HB ALA 62 5.830 14.166 -12.843 420 3HB ALA 62 3HB ALA 62 4.258 14.456 -13.590 421 H SER 63 H SER 63 3.824 10.847 -10.874 422 HA SER 63 HA SER 63 4.843 12.621 -8.792 423 1HB SER 63 2HB SER 63 2.084 12.603 -9.234 424 2HB SER 63 1HB SER 63 2.244 11.356 -7.997 425 HG SER 63 HG SER 63 3.667 13.046 -7.000 426 H CYS 64 H CYS 64 6.364 10.630 -9.394 427 HA CYS 64 HA CYS 64 4.868 8.160 -8.729 428 1HB CYS 64 2HB CYS 64 6.278 9.076 -11.163 429 2HB CYS 64 1HB CYS 64 6.818 7.484 -10.676 430 H GLU 65 H GLU 65 6.063 6.308 -7.916 431 HA GLU 65 HA GLU 65 7.772 7.771 -6.027 432 1HB GLU 65 1HB GLU 65 5.361 7.683 -5.336 433 2HB GLU 65 2HB GLU 65 5.396 5.941 -5.433 434 1HG GLU 65 2HG GLU 65 5.677 6.333 -3.110 435 2HG GLU 65 1HG GLU 65 7.336 6.089 -3.646 436 H CYS 66 H CYS 66 6.763 4.879 -7.104 437 HA CYS 66 HA CYS 66 7.664 3.388 -4.970 438 1HB CYS 66 1HB CYS 66 6.475 1.884 -7.234 439 2HB CYS 66 2HB CYS 66 5.856 2.211 -5.619 440 HA PRO 67 HA PRO 67 7.019 0.529 -5.906 441 1HB PRO 67 1HB PRO 67 8.357 -1.893 -6.741 442 2HB PRO 67 2HB PRO 67 6.863 -1.165 -7.348 443 1HG PRO 67 2HG PRO 67 9.475 -1.276 -8.616 444 2HG PRO 67 1HG PRO 67 7.962 -0.680 -9.283 445 1HD PRO 67 2HD PRO 67 10.225 0.887 -8.346 446 2HD PRO 67 1HD PRO 67 8.716 1.485 -9.047 447 H GLU 68 H GLU 68 7.926 -1.584 -3.888 448 HA GLU 68 HA GLU 68 10.592 -1.644 -3.807 449 1HB GLU 68 2HB GLU 68 10.549 -4.098 -3.837 450 2HB GLU 68 1HB GLU 68 9.121 -3.506 -3.024 451 1HG GLU 68 2HG GLU 68 7.695 -4.307 -4.661 452 2HG GLU 68 1HG GLU 68 8.796 -3.899 -5.973 453 H GLY 69 H GLY 69 9.795 -0.521 -6.550 454 1HA GLY 69 2HA GLY 69 12.646 -1.324 -6.793 455 2HA GLY 69 1HA GLY 69 11.858 -0.160 -7.901 456 H TYR 70 H TYR 70 10.264 1.138 -5.736 457 HA TYR 70 HA TYR 70 10.671 3.182 -4.696 458 1HB TYR 70 2HB TYR 70 10.811 1.376 -2.879 459 2HB TYR 70 1HB TYR 70 12.541 1.306 -3.132 460 HD1 TYR 70 HD1 TYR 70 10.378 4.401 -3.138 461 HD2 TYR 70 HD2 TYR 70 13.382 2.048 -1.026 462 HE1 TYR 70 HE1 TYR 70 10.697 6.283 -1.496 463 HE2 TYR 70 HE2 TYR 70 13.704 3.929 0.615 464 HH TYR 70 HH TYR 70 13.034 6.014 1.231 465 H ILE 71 H ILE 71 13.193 2.527 -6.914 466 HA ILE 71 HA ILE 71 11.929 5.063 -6.701 467 HB ILE 71 HB ILE 71 14.538 4.929 -5.648 468 1HG1 ILE 71 1HG1 ILE 71 14.257 7.561 -5.821 469 2HG1 ILE 71 2HG1 ILE 71 12.650 7.151 -6.372 470 1HG2 ILE 71 1HG2 ILE 71 15.975 6.306 -7.005 471 2HG2 ILE 71 2HG2 ILE 71 14.717 6.538 -8.219 472 3HG2 ILE 71 3HG2 ILE 71 15.442 4.946 -7.993 473 1HD1 ILE 71 1HD1 ILE 71 12.206 5.875 -4.295 474 2HD1 ILE 71 2HD1 ILE 71 12.756 7.498 -3.876 475 3HD1 ILE 71 3HD1 ILE 71 13.864 6.131 -3.750 476 H LEU 72 H LEU 72 13.236 6.462 -8.946 477 HA LEU 72 HA LEU 72 10.684 5.995 -9.423 478 1HB LEU 72 2HB LEU 72 12.780 6.739 -11.457 479 2HB LEU 72 1HB LEU 72 11.075 6.895 -11.823 480 HG LEU 72 HG LEU 72 12.912 8.504 -10.145 481 1HD1 LEU 72 1HD2 LEU 72 11.365 10.340 -10.801 482 2HD1 LEU 72 2HD2 LEU 72 10.307 9.161 -11.582 483 3HD1 LEU 72 3HD2 LEU 72 11.949 9.430 -12.190 484 1HD2 LEU 72 1HD1 LEU 72 11.613 7.606 -8.341 485 2HD2 LEU 72 2HD1 LEU 72 10.098 7.888 -9.212 486 3HD2 LEU 72 3HD1 LEU 72 11.056 9.266 -8.635 487 H ASP 73 H ASP 73 10.185 5.075 -12.300 488 HA ASP 73 HA ASP 73 11.926 4.710 -13.848 489 1HB ASP 73 2HB ASP 73 13.618 5.021 -12.021 490 2HB ASP 73 1HB ASP 73 13.368 3.370 -11.497 491 H ASP 74 H ASP 74 13.223 2.035 -14.399 492 HA ASP 74 HA ASP 74 12.405 2.484 -16.539 493 1HB ASP 74 2HB ASP 74 10.837 0.532 -17.105 494 2HB ASP 74 1HB ASP 74 12.301 0.064 -16.248 495 H GLY 75 H GLY 75 11.511 4.638 -15.936 496 1HA GLY 75 2HA GLY 75 10.049 5.589 -17.628 497 2HA GLY 75 1HA GLY 75 8.827 4.377 -17.205 498 H PHE 76 H PHE 76 8.875 4.438 -14.865 499 HA PHE 76 HA PHE 76 9.406 6.359 -13.029 500 1HB PHE 76 2HB PHE 76 6.971 7.141 -14.578 501 2HB PHE 76 1HB PHE 76 6.749 7.260 -12.846 502 HD1 PHE 76 HD1 PHE 76 6.417 9.699 -13.052 503 HD2 PHE 76 HD2 PHE 76 10.170 7.800 -14.204 504 HE1 PHE 76 HE1 PHE 76 7.549 11.945 -13.061 505 HE2 PHE 76 HE2 PHE 76 11.300 10.050 -14.226 506 HZ PHE 76 HZ PHE 76 9.990 12.121 -13.650 507 H ILE 77 H ILE 77 8.680 3.450 -13.198 508 HA ILE 77 HA ILE 77 6.144 3.707 -13.853 509 HB ILE 77 HB ILE 77 6.771 1.772 -14.683 510 1HG1 ILE 77 1HG1 ILE 77 4.699 1.091 -13.491 511 2HG1 ILE 77 2HG1 ILE 77 5.801 -0.207 -13.777 512 1HG2 ILE 77 1HG2 ILE 77 8.104 0.037 -13.140 513 2HG2 ILE 77 2HG2 ILE 77 8.482 1.523 -12.259 514 3HG2 ILE 77 3HG2 ILE 77 8.888 1.386 -13.972 515 1HD1 ILE 77 1HD1 ILE 77 6.605 0.760 -11.242 516 2HD1 ILE 77 2HD1 ILE 77 5.645 -0.689 -11.541 517 3HD1 ILE 77 3HD1 ILE 77 4.845 0.845 -11.203 518 H CYS 78 H CYS 78 4.201 2.532 -13.016 519 HA CYS 78 HA CYS 78 2.769 2.426 -11.020 520 1HB CYS 78 2HB CYS 78 4.622 4.698 -10.175 521 2HB CYS 78 1HB CYS 78 3.030 4.548 -9.470 522 H THR 79 H THR 79 0.888 5.207 -10.820 523 HA THR 79 HA THR 79 0.740 2.423 -10.955 524 HB THR 79 HB THR 79 -1.659 2.674 -10.641 525 HG1 THR 79 HG1 THR 79 -2.612 3.923 -11.886 526 1HG2 THR 79 1HG2 THR 79 -0.783 5.369 -9.579 527 2HG2 THR 79 2HG2 THR 79 -0.004 3.922 -8.938 528 3HG2 THR 79 3HG2 THR 79 -1.750 4.123 -8.790 529 H ASP 80 H ASP 80 0.703 0.994 -13.018 530 HA ASP 80 HA ASP 80 -1.182 0.899 -14.746 531 1HB ASP 80 1HB ASP 80 -0.761 -0.596 -12.372 532 2HB ASP 80 2HB ASP 80 -2.490 -0.217 -12.344 533 H ILE 81 H ILE 81 -2.288 2.922 -15.240 534 HA ILE 81 HA ILE 81 -4.560 3.775 -14.196 535 HB ILE 81 HB ILE 81 -3.770 3.388 -16.723 536 1HG1 ILE 81 2HG1 ILE 81 -5.968 4.248 -17.481 537 2HG1 ILE 81 1HG1 ILE 81 -6.670 3.827 -15.939 538 1HG2 ILE 81 1HG2 ILE 81 -6.175 1.547 -16.707 539 2HG2 ILE 81 2HG2 ILE 81 -4.544 0.902 -16.520 540 3HG2 ILE 81 3HG2 ILE 81 -4.978 1.794 -17.979 541 1HD1 ILE 81 1HD1 ILE 81 -5.705 5.632 -14.848 542 2HD1 ILE 81 2HD1 ILE 81 -5.637 6.304 -16.477 543 3HD1 ILE 81 3HD1 ILE 81 -4.211 5.535 -15.777 544 H ASP 82 H ASP 82 -6.871 2.909 -14.382 545 HA ASP 82 HA ASP 82 -7.203 0.749 -12.654 546 1HB ASP 82 1HB ASP 82 -9.571 0.572 -13.791 547 2HB ASP 82 2HB ASP 82 -9.154 2.102 -13.032 548 H GLU 83 H GLU 83 -7.480 0.611 -16.339 549 HA GLU 83 HA GLU 83 -9.357 -1.338 -15.787 550 1HB GLU 83 1HB GLU 83 -8.683 -0.057 -18.048 551 2HB GLU 83 2HB GLU 83 -7.767 -1.510 -18.371 552 1HG GLU 83 1HG GLU 83 -10.345 -2.405 -17.510 553 2HG GLU 83 2HG GLU 83 -10.636 -1.080 -18.634 554 H1 NAG 121 H1 ASN 21 -16.279 1.652 9.186 555 H2 NAG 121 H2 ASN 21 -13.734 0.355 8.771 556 H3 NAG 121 H3 ASN 21 -14.195 -0.480 6.406 557 H4 NAG 121 H4 ASN 21 -16.578 -1.470 6.185 558 H5 NAG 121 H5 ASN 21 -17.695 0.854 7.593 559 1H6 NAG 121 1H6 ASN 21 -19.094 -1.181 8.583 560 2H6 NAG 121 2H6 ASN 21 -18.301 -2.100 7.303 561 1H8 NAG 121 1H8 ASN 21 -11.414 2.027 8.274 562 2H8 NAG 121 2H8 ASN 21 -12.235 1.032 7.053 563 3H8 NAG 121 3H8 ASN 21 -11.717 2.682 6.655 564 HN2 NAG 121 HN2 ASN 21 -15.121 2.067 6.813 565 HO4 NAG 121 HO4 ASN 21 -16.712 1.253 6.027 566 HO3 NAG 121 HO3 ASN 21 -13.791 -2.033 7.699 567 HO6 NAG 121 H6 ASN 21 -20.164 -1.278 6.552 568 H1 NAG 148 H1 ASN 48 1.392 -7.905 -7.567 569 H2 NAG 148 H2 ASN 48 -1.042 -6.478 -7.174 570 H3 NAG 148 H3 ASN 48 -2.235 -8.057 -5.599 571 H4 NAG 148 H4 ASN 48 -1.897 -10.553 -6.319 572 H5 NAG 148 H5 ASN 48 0.996 -9.940 -6.549 573 1H6 NAG 148 1H6 ASN 48 0.276 -11.662 -8.614 574 2H6 NAG 148 2H6 ASN 48 -0.936 -12.033 -7.388 575 1H8 NAG 148 1H8 ASN 48 -0.794 -4.444 -4.030 576 2H8 NAG 148 2H8 ASN 48 -1.425 -4.540 -5.678 577 3H8 NAG 148 3H8 ASN 48 -1.688 -5.889 -4.561 578 HN2 NAG 148 HN2 ASN 48 0.558 -7.800 -5.074 579 HO4 NAG 148 HO4 ASN 48 -0.821 -10.772 -4.565 580 HO3 NAG 148 HO3 ASN 48 -2.201 -9.029 -8.205 581 HO6 NAG 148 H6 ASN 48 0.936 -12.077 -5.937 Start of MODEL 7 1 1H HIS 1 1H HIS 1 -5.319 -12.197 20.226 2 2H HIS 1 2H HIS 1 -4.136 -12.097 19.012 3 3H HIS 1 3H HIS 1 -5.186 -13.430 19.066 4 HA HIS 1 HA HIS 1 -4.139 -13.454 21.504 5 1HB HIS 1 1HB HIS 1 -4.369 -15.238 19.487 6 2HB HIS 1 2HB HIS 1 -2.656 -14.921 19.330 7 HD2 HIS 1 HD2 HIS 1 -1.090 -16.157 21.024 8 HE1 HIS 1 HE1 HIS 1 -4.004 -17.596 23.830 9 HE2 HIS 1 HE2 HIS 1 -1.514 -17.687 23.183 10 H MET 2 H MET 2 -2.682 -10.754 20.107 11 HA MET 2 HA MET 2 -3.155 -11.419 22.767 12 1HB MET 2 2HB MET 2 -0.592 -12.258 22.103 13 2HB MET 2 1HB MET 2 -0.258 -10.658 22.718 14 1HG MET 2 1HG MET 2 -1.939 -11.525 24.687 15 2HG MET 2 2HG MET 2 -1.289 -13.072 24.171 16 1HE MET 2 1HE MET 2 2.466 -12.860 24.732 17 2HE MET 2 2HE MET 2 1.606 -12.536 23.217 18 3HE MET 2 3HE MET 2 1.059 -13.840 24.284 19 H GLU 3 H GLU 3 -1.347 -9.542 24.013 20 HA GLU 3 HA GLU 3 -1.232 -7.324 24.474 21 1HB GLU 3 2HB GLU 3 -1.479 -6.503 21.597 22 2HB GLU 3 1HB GLU 3 -0.289 -6.012 22.798 23 1HG GLU 3 1HG GLU 3 -0.352 -8.569 21.145 24 2HG GLU 3 2HG GLU 3 0.869 -7.304 21.145 25 HA PRO 4 HA PRO 4 -5.071 -5.007 23.660 26 1HB PRO 4 1HB PRO 4 -3.682 -2.574 24.330 27 2HB PRO 4 2HB PRO 4 -4.867 -3.422 25.315 28 1HG PRO 4 1HG PRO 4 -1.992 -3.264 25.727 29 2HG PRO 4 2HG PRO 4 -3.189 -4.042 26.757 30 1HD PRO 4 1HD PRO 4 -1.273 -5.325 24.985 31 2HD PRO 4 2HD PRO 4 -2.464 -6.111 26.035 32 H VAL 5 H VAL 5 -3.017 -5.842 21.755 33 HA VAL 5 HA VAL 5 -2.196 -3.639 20.236 34 HB VAL 5 HB VAL 5 -1.243 -5.551 19.420 35 1HG1 VAL 5 1HG1 VAL 5 -3.612 -6.946 20.374 36 2HG1 VAL 5 2HG1 VAL 5 -3.221 -7.469 18.744 37 3HG1 VAL 5 3HG1 VAL 5 -2.000 -7.573 20.001 38 1HG2 VAL 5 1HG2 VAL 5 -2.789 -4.264 17.574 39 2HG2 VAL 5 2HG2 VAL 5 -1.667 -5.568 17.183 40 3HG2 VAL 5 3HG2 VAL 5 -3.383 -5.913 17.398 41 H ASP 6 H ASP 6 -3.391 -2.149 19.015 42 HA ASP 6 HA ASP 6 -5.305 -1.856 20.818 43 1HB ASP 6 1HB ASP 6 -4.712 0.167 19.730 44 2HB ASP 6 2HB ASP 6 -5.209 -0.319 18.227 45 HA PRO 7 HA PRO 7 -6.415 -4.525 17.483 46 1HB PRO 7 1HB PRO 7 -7.198 -3.287 15.035 47 2HB PRO 7 2HB PRO 7 -8.116 -4.496 15.926 48 1HG PRO 7 1HG PRO 7 -8.696 -1.657 15.620 49 2HG PRO 7 2HG PRO 7 -9.679 -2.878 16.418 50 1HD PRO 7 1HD PRO 7 -8.006 -0.824 17.658 51 2HD PRO 7 2HD PRO 7 -9.075 -1.982 18.465 52 H CYS 8 H CYS 8 -6.030 -1.161 16.879 53 HA CYS 8 HA CYS 8 -4.072 -1.265 14.799 54 1HB CYS 8 2HB CYS 8 -5.323 0.748 14.838 55 2HB CYS 8 1HB CYS 8 -5.234 0.863 16.596 56 H PHE 9 H PHE 9 -3.673 0.470 17.790 57 HA PHE 9 HA PHE 9 -1.057 0.553 18.105 58 1HB PHE 9 1HB PHE 9 -2.717 1.265 19.846 59 2HB PHE 9 2HB PHE 9 -2.924 -0.449 20.270 60 HD1 PHE 9 HD1 PHE 9 -1.657 -1.337 22.059 61 HD2 PHE 9 HD2 PHE 9 -0.174 2.142 19.886 62 HE1 PHE 9 HE1 PHE 9 0.288 -1.176 23.647 63 HE2 PHE 9 HE2 PHE 9 1.773 2.304 21.474 64 HZ PHE 9 HZ PHE 9 2.004 0.645 23.355 65 H ARG 10 H ARG 10 0.478 -0.718 19.566 66 HA ARG 10 HA ARG 10 1.934 -2.369 19.323 67 1HB ARG 10 2HB ARG 10 -0.383 -3.767 19.501 68 2HB ARG 10 1HB ARG 10 0.395 -4.463 18.069 69 1HG ARG 10 1HG ARG 10 1.879 -3.840 20.627 70 2HG ARG 10 2HG ARG 10 0.930 -5.231 20.543 71 1HD ARG 10 1HD ARG 10 2.380 -5.619 18.214 72 2HD ARG 10 2HD ARG 10 3.559 -4.719 19.187 73 HE ARG 10 HE ARG 10 2.290 -7.002 20.508 74 1HH1 ARG 10 2HH1 ARG 10 5.388 -5.745 18.798 75 2HH1 ARG 10 1HH1 ARG 10 5.193 -7.323 18.111 76 1HH2 ARG 10 1HH2 ARG 10 4.939 -7.487 21.698 77 2HH2 ARG 10 2HH2 ARG 10 4.788 -8.816 20.599 78 H ALA 11 H ALA 11 0.606 -0.851 16.929 79 HA ALA 11 HA ALA 11 -0.394 -2.914 15.536 80 1HB ALA 11 1HB ALA 11 -1.240 -1.448 13.866 81 2HB ALA 11 2HB ALA 11 -0.881 -0.348 15.191 82 3HB ALA 11 3HB ALA 11 0.222 -0.463 13.828 83 H ASN 12 H ASN 12 0.927 -2.508 12.350 84 HA ASN 12 HA ASN 12 2.409 -0.481 13.540 85 1HB ASN 12 1HB ASN 12 3.840 -3.071 13.414 86 2HB ASN 12 2HB ASN 12 4.718 -1.818 12.546 87 1HD2 ASN 12 2HD2 ASN 12 4.772 0.499 14.024 88 2HD2 ASN 12 1HD2 ASN 12 6.101 -0.259 14.877 89 H CYS 13 H CYS 13 0.562 -0.915 11.200 90 HA CYS 13 HA CYS 13 1.188 0.165 9.109 91 1HB CYS 13 2HB CYS 13 -0.117 1.369 11.607 92 2HB CYS 13 1HB CYS 13 -0.464 1.870 9.975 93 H GLU 14 H GLU 14 2.280 1.417 8.352 94 HA GLU 14 HA GLU 14 4.435 2.774 9.886 95 1HB GLU 14 1HB GLU 14 5.215 1.015 8.380 96 2HB GLU 14 2HB GLU 14 4.409 1.767 7.028 97 1HG GLU 14 1HG GLU 14 6.130 3.776 8.153 98 2HG GLU 14 2HG GLU 14 7.077 2.296 8.053 99 H TYR 15 H TYR 15 2.634 3.561 6.674 100 HA TYR 15 HA TYR 15 1.895 5.972 7.983 101 1HB TYR 15 2HB TYR 15 1.098 4.713 5.724 102 2HB TYR 15 1HB TYR 15 -0.260 4.235 6.716 103 HD1 TYR 15 HD1 TYR 15 -1.677 6.131 7.838 104 HD2 TYR 15 HD2 TYR 15 1.436 6.907 4.880 105 HE1 TYR 15 HE1 TYR 15 -2.625 8.421 7.443 106 HE2 TYR 15 HE2 TYR 15 0.482 9.203 4.481 107 HH TYR 15 HH TYR 15 -2.175 10.497 6.469 108 H GLN 16 H GLN 16 -0.874 4.798 8.193 109 HA GLN 16 HA GLN 16 -0.483 3.667 10.914 110 1HB GLN 16 1HB GLN 16 -0.910 6.303 10.720 111 2HB GLN 16 2HB GLN 16 -2.593 5.790 10.658 112 1HG GLN 16 1HG GLN 16 -2.100 4.356 12.736 113 2HG GLN 16 2HG GLN 16 -0.519 5.109 12.810 114 1HE2 GLN 16 1HE2 GLN 16 -3.950 5.506 13.112 115 2HE2 GLN 16 2HE2 GLN 16 -3.969 7.046 13.951 116 H CYS 17 H CYS 17 -3.279 4.366 11.462 117 HA CYS 17 HA CYS 17 -3.788 1.523 10.865 118 1HB CYS 17 1HB CYS 17 -4.579 3.297 13.225 119 2HB CYS 17 2HB CYS 17 -5.192 1.664 13.073 120 H GLN 18 H GLN 18 -5.052 1.302 9.226 121 HA GLN 18 HA GLN 18 -6.992 2.839 8.234 122 1HB GLN 18 2HB GLN 18 -6.296 0.934 7.066 123 2HB GLN 18 1HB GLN 18 -6.745 -0.170 8.361 124 1HG GLN 18 1HG GLN 18 -8.566 -0.554 6.988 125 2HG GLN 18 2HG GLN 18 -9.215 0.894 7.740 126 1HE2 GLN 18 1HE2 GLN 18 -8.078 3.180 6.287 127 2HE2 GLN 18 2HE2 GLN 18 -6.829 2.441 5.305 128 HA PRO 19 HA PRO 19 -7.346 -0.767 10.158 129 1HB PRO 19 1HB PRO 19 -9.619 -1.485 11.863 130 2HB PRO 19 2HB PRO 19 -7.903 -1.735 12.150 131 1HG PRO 19 1HG PRO 19 -9.592 0.240 13.387 132 2HG PRO 19 2HG PRO 19 -7.865 0.010 13.629 133 1HD PRO 19 1HD PRO 19 -9.147 2.177 12.208 134 2HD PRO 19 2HD PRO 19 -7.408 1.896 12.379 135 H LEU 20 H LEU 20 -8.414 -2.678 9.333 136 HA LEU 20 HA LEU 20 -11.012 -2.060 8.176 137 1HB LEU 20 1HB LEU 20 -9.378 -2.235 6.244 138 2HB LEU 20 2HB LEU 20 -8.983 -3.858 6.749 139 HG LEU 20 HG LEU 20 -11.836 -3.542 6.825 140 1HD1 LEU 20 1HD1 LEU 20 -12.132 -3.379 4.255 141 2HD1 LEU 20 2HD1 LEU 20 -11.727 -1.873 5.084 142 3HD1 LEU 20 3HD1 LEU 20 -10.481 -2.756 4.201 143 1HD2 LEU 20 1HD2 LEU 20 -11.385 -5.405 4.857 144 2HD2 LEU 20 2HD2 LEU 20 -9.839 -5.436 5.696 145 3HD2 LEU 20 3HD2 LEU 20 -11.333 -5.754 6.580 146 H ASN 21 H ASN 21 -11.401 -2.847 9.944 147 HA ASN 21 HA ASN 21 -12.182 -5.115 11.223 148 1HB ASN 21 1HB ASN 21 -13.963 -3.407 9.502 149 2HB ASN 21 2HB ASN 21 -14.574 -4.987 10.063 150 1HD2 ASN 21 HD2 ASN 21 -16.176 -3.679 11.356 151 H GLN 22 H GLN 22 -11.517 -7.662 9.173 152 HA GLN 22 HA GLN 22 -12.915 -6.909 11.649 153 1HB GLN 22 1HB GLN 22 -13.975 -8.675 9.555 154 2HB GLN 22 2HB GLN 22 -13.766 -9.576 11.036 155 1HG GLN 22 1HG GLN 22 -15.074 -7.717 12.244 156 2HG GLN 22 2HG GLN 22 -15.435 -7.045 10.656 157 1HE2 GLN 22 2HE2 GLN 22 -17.663 -7.891 9.919 158 2HE2 GLN 22 1HE2 GLN 22 -18.236 -8.413 11.492 159 H THR 23 H THR 23 -10.718 -8.145 13.400 160 HA THR 23 HA THR 23 -10.575 -6.247 11.302 161 HB THR 23 HB THR 23 -8.572 -5.365 12.539 162 HG1 THR 23 HG1 THR 23 -8.164 -6.593 14.504 163 1HG2 THR 23 1HG2 THR 23 -11.216 -5.846 13.733 164 2HG2 THR 23 2HG2 THR 23 -9.960 -5.723 14.966 165 3HG2 THR 23 3HG2 THR 23 -10.201 -4.407 13.817 166 H SER 24 H SER 24 -9.809 -6.514 9.322 167 HA SER 24 HA SER 24 -7.477 -7.515 8.436 168 1HB SER 24 2HB SER 24 -8.606 -5.802 7.203 169 2HB SER 24 1HB SER 24 -8.222 -4.592 8.424 170 HG SER 24 HG SER 24 -6.693 -4.360 6.982 171 H TYR 25 H TYR 25 -7.796 -5.865 11.151 172 HA TYR 25 HA TYR 25 -7.410 -3.606 10.362 173 1HB TYR 25 2HB TYR 25 -6.087 -2.537 12.285 174 2HB TYR 25 1HB TYR 25 -7.438 -3.562 12.773 175 HD1 TYR 25 HD1 TYR 25 -7.052 -5.419 14.267 176 HD2 TYR 25 HD2 TYR 25 -3.708 -3.583 12.163 177 HE1 TYR 25 HE1 TYR 25 -5.440 -6.760 15.665 178 HE2 TYR 25 HE2 TYR 25 -2.090 -4.904 13.573 179 HH TYR 25 HH TYR 25 -1.907 -6.641 15.075 180 H LEU 26 H LEU 26 -6.393 -2.337 9.346 181 HA LEU 26 HA LEU 26 -3.947 -3.438 8.194 182 1HB LEU 26 2HB LEU 26 -5.307 -3.816 6.456 183 2HB LEU 26 1HB LEU 26 -6.644 -3.112 7.395 184 HG LEU 26 HG LEU 26 -5.887 -0.914 6.626 185 1HD1 LEU 26 1HD2 LEU 26 -4.869 -1.767 4.037 186 2HD1 LEU 26 2HD2 LEU 26 -4.108 -0.678 5.194 187 3HD1 LEU 26 3HD2 LEU 26 -3.832 -2.420 5.303 188 1HD2 LEU 26 1HD1 LEU 26 -7.708 -1.079 5.268 189 2HD2 LEU 26 2HD1 LEU 26 -6.833 -2.095 4.123 190 3HD2 LEU 26 3HD1 LEU 26 -7.630 -2.825 5.514 191 H CYS 27 H CYS 27 -2.979 -1.744 6.468 192 HA CYS 27 HA CYS 27 -2.446 0.483 8.375 193 1HB CYS 27 1HB CYS 27 -0.386 -0.937 6.683 194 2HB CYS 27 2HB CYS 27 -0.118 0.496 7.682 195 H VAL 28 H VAL 28 -2.049 2.639 7.427 196 HA VAL 28 HA VAL 28 -4.557 2.472 6.192 197 HB VAL 28 HB VAL 28 -2.705 4.785 6.767 198 1HG1 VAL 28 1HG2 VAL 28 -5.507 4.904 5.628 199 2HG1 VAL 28 2HG2 VAL 28 -4.912 6.233 6.623 200 3HG1 VAL 28 3HG2 VAL 28 -4.069 5.801 5.129 201 1HG2 VAL 28 1HG1 VAL 28 -5.240 4.731 8.295 202 2HG2 VAL 28 2HG1 VAL 28 -4.246 3.312 8.569 203 3HG2 VAL 28 3HG1 VAL 28 -3.599 4.947 8.864 204 H CYS 29 H CYS 29 -1.713 2.638 4.770 205 HA CYS 29 HA CYS 29 -1.308 5.109 3.909 206 1HB CYS 29 1HB CYS 29 -0.317 2.493 2.967 207 2HB CYS 29 2HB CYS 29 -0.263 3.636 1.672 208 H ALA 30 H ALA 30 -0.697 5.370 1.857 209 HA ALA 30 HA ALA 30 -2.670 7.266 1.868 210 1HB ALA 30 1HB ALA 30 -0.264 7.811 1.437 211 2HB ALA 30 2HB ALA 30 -0.454 7.304 -0.241 212 3HB ALA 30 3HB ALA 30 -1.330 8.713 0.359 213 H GLU 31 H GLU 31 -4.783 6.113 0.885 214 HA GLU 31 HA GLU 31 -4.001 3.949 -0.222 215 1HB GLU 31 1HB GLU 31 -6.211 3.524 -0.054 216 2HB GLU 31 2HB GLU 31 -6.362 5.136 0.530 217 1HG GLU 31 1HG GLU 31 -6.673 4.411 -2.411 218 2HG GLU 31 2HG GLU 31 -8.006 4.686 -1.281 219 H GLY 32 H GLY 32 -4.770 2.953 -2.444 220 1HA GLY 32 1HA GLY 32 -3.533 2.661 -4.379 221 2HA GLY 32 2HA GLY 32 -3.195 4.417 -4.410 222 H PHE 33 H PHE 33 -2.600 2.708 -1.489 223 HA PHE 33 HA PHE 33 0.143 1.969 -2.086 224 1HB PHE 33 2HB PHE 33 -0.643 4.294 -0.266 225 2HB PHE 33 1HB PHE 33 0.854 3.398 0.046 226 HD1 PHE 33 HD1 PHE 33 -0.934 5.499 -2.503 227 HD2 PHE 33 HD2 PHE 33 2.846 3.750 -1.218 228 HE1 PHE 33 HE1 PHE 33 0.304 7.008 -4.097 229 HE2 PHE 33 HE2 PHE 33 4.089 5.276 -2.788 230 HZ PHE 33 HZ PHE 33 2.816 6.889 -4.244 231 H ALA 34 H ALA 34 -0.242 -0.178 -1.361 232 HA ALA 34 HA ALA 34 -2.796 -0.062 0.019 233 1HB ALA 34 1HB ALA 34 -2.723 -2.659 -0.627 234 2HB ALA 34 2HB ALA 34 -2.864 -1.464 -1.915 235 3HB ALA 34 3HB ALA 34 -1.296 -2.175 -1.549 236 HA PRO 35 HA PRO 35 0.468 -3.063 1.785 237 1HB PRO 35 1HB PRO 35 -0.733 -5.588 1.120 238 2HB PRO 35 2HB PRO 35 -0.268 -5.033 2.722 239 1HG PRO 35 1HG PRO 35 -2.955 -5.327 1.650 240 2HG PRO 35 2HG PRO 35 -2.493 -4.842 3.276 241 1HD PRO 35 2HD PRO 35 -3.516 -3.148 1.136 242 2HD PRO 35 1HD PRO 35 -3.103 -2.668 2.788 243 H ILE 36 H ILE 36 1.527 -2.329 -0.327 244 HA ILE 36 HA ILE 36 2.039 -4.046 -2.233 245 HB ILE 36 HB ILE 36 3.724 -2.713 -1.145 246 1HG1 ILE 36 1HG1 ILE 36 4.316 -5.227 -2.145 247 2HG1 ILE 36 2HG1 ILE 36 5.347 -3.843 -1.994 248 1HG2 ILE 36 1HG2 ILE 36 4.762 -3.631 1.068 249 2HG2 ILE 36 2HG2 ILE 36 3.284 -2.678 1.103 250 3HG2 ILE 36 3HG2 ILE 36 3.195 -4.430 1.249 251 1HD1 ILE 36 1HD1 ILE 36 5.042 -5.512 0.484 252 2HD1 ILE 36 2HD1 ILE 36 5.931 -6.206 -0.865 253 3HD1 ILE 36 3HD1 ILE 36 6.450 -4.668 -0.156 254 HA PRO 37 HA PRO 37 2.362 -8.547 -0.891 255 1HB PRO 37 2HB PRO 37 5.130 -7.807 -1.737 256 2HB PRO 37 1HB PRO 37 4.191 -9.225 -2.161 257 1HG PRO 37 1HG PRO 37 4.544 -6.917 -3.796 258 2HG PRO 37 2HG PRO 37 3.381 -8.205 -4.086 259 1HD PRO 37 1HD PRO 37 2.770 -5.496 -3.353 260 2HD PRO 37 2HD PRO 37 1.625 -6.835 -3.457 261 H HIS 38 H HIS 38 5.583 -8.361 0.019 262 HA HIS 38 HA HIS 38 4.094 -10.098 1.423 263 1HB HIS 38 1HB HIS 38 5.986 -10.064 3.240 264 2HB HIS 38 2HB HIS 38 6.300 -10.700 1.613 265 HD1 HIS 38 HD1 HIS 38 8.977 -10.088 1.887 266 HD2 HIS 38 HD2 HIS 38 6.198 -6.904 2.037 267 HE1 HIS 38 HE1 HIS 38 10.345 -7.925 1.655 268 H GLU 39 H GLU 39 5.676 -8.159 3.429 269 HA GLU 39 HA GLU 39 4.272 -9.002 5.528 270 1HB GLU 39 2HB GLU 39 5.775 -6.392 5.315 271 2HB GLU 39 1HB GLU 39 4.953 -6.760 6.841 272 1HG GLU 39 1HG GLU 39 7.027 -8.516 5.475 273 2HG GLU 39 2HG GLU 39 7.307 -7.531 6.901 274 HA PRO 40 HA PRO 40 0.417 -6.623 5.960 275 1HB PRO 40 1HB PRO 40 0.234 -7.690 8.647 276 2HB PRO 40 2HB PRO 40 -0.759 -8.116 7.260 277 1HG PRO 40 1HG PRO 40 1.314 -9.713 8.498 278 2HG PRO 40 2HG PRO 40 0.316 -10.143 7.114 279 1HD PRO 40 1HD PRO 40 3.126 -9.375 7.114 280 2HD PRO 40 2HD PRO 40 2.139 -9.850 5.722 281 H HIS 41 H HIS 41 2.526 -4.912 6.111 282 HA HIS 41 HA HIS 41 0.516 -3.525 7.669 283 1HB HIS 41 2HB HIS 41 2.311 -2.095 8.786 284 2HB HIS 41 1HB HIS 41 2.023 -3.670 9.548 285 HD1 HIS 41 HD1 HIS 41 3.909 -5.566 7.808 286 HD2 HIS 41 HD2 HIS 41 4.834 -1.641 9.088 287 HE1 HIS 41 HE1 HIS 41 6.462 -5.317 7.602 288 H ARG 42 H ARG 42 1.921 -3.662 4.985 289 HA ARG 42 HA ARG 42 3.241 -1.018 5.025 290 1HB ARG 42 1HB ARG 42 3.505 -3.334 3.065 291 2HB ARG 42 2HB ARG 42 4.110 -1.756 2.662 292 1HG ARG 42 2HG ARG 42 5.937 -1.991 3.897 293 2HG ARG 42 1HG ARG 42 4.960 -2.304 5.337 294 1HD ARG 42 1HD ARG 42 4.832 -4.747 4.705 295 2HD ARG 42 2HD ARG 42 5.839 -4.427 3.281 296 HE ARG 42 HE ARG 42 6.724 -4.385 6.087 297 1HH1 ARG 42 2HH1 ARG 42 8.247 -2.773 3.145 298 2HH1 ARG 42 1HH1 ARG 42 8.067 -4.352 2.458 299 1HH2 ARG 42 1HH2 ARG 42 8.992 -5.716 5.479 300 2HH2 ARG 42 2HH2 ARG 42 9.890 -4.270 5.161 301 H CYS 43 H CYS 43 2.912 0.646 3.483 302 HA CYS 43 HA CYS 43 1.315 -0.092 1.163 303 1HB CYS 43 2HB CYS 43 2.448 2.332 0.573 304 2HB CYS 43 1HB CYS 43 0.976 2.055 1.497 305 H GLN 44 H GLN 44 2.188 -0.153 -0.968 306 HA GLN 44 HA GLN 44 4.648 1.123 -1.366 307 1HB GLN 44 2HB GLN 44 5.152 -1.460 -0.544 308 2HB GLN 44 1HB GLN 44 5.030 -1.713 -2.270 309 1HG GLN 44 1HG GLN 44 6.897 -0.311 -2.745 310 2HG GLN 44 2HG GLN 44 6.785 0.529 -1.202 311 1HE2 GLN 44 1HE2 GLN 44 6.891 -2.943 -2.199 312 2HE2 GLN 44 2HE2 GLN 44 7.612 -3.419 -0.672 313 H MET 45 H MET 45 4.319 2.100 -3.293 314 HA MET 45 HA MET 45 1.675 2.241 -3.368 315 1HB MET 45 1HB MET 45 1.910 3.851 -5.078 316 2HB MET 45 2HB MET 45 3.572 3.683 -4.560 317 1HG MET 45 1HG MET 45 3.702 3.547 -6.918 318 2HG MET 45 2HG MET 45 3.844 1.883 -6.377 319 1HE MET 45 1HE MET 45 3.621 1.023 -8.198 320 2HE MET 45 2HE MET 45 2.130 0.073 -8.274 321 3HE MET 45 3HE MET 45 2.450 1.324 -9.490 322 H PHE 46 H PHE 46 -0.152 1.233 -4.324 323 HA PHE 46 HA PHE 46 0.861 -1.416 -4.243 324 1HB PHE 46 1HB PHE 46 -1.127 -0.744 -2.924 325 2HB PHE 46 2HB PHE 46 -2.008 -0.398 -4.395 326 HD1 PHE 46 HD1 PHE 46 0.142 -3.340 -3.333 327 HD2 PHE 46 HD2 PHE 46 -3.765 -1.951 -4.682 328 HE1 PHE 46 HE1 PHE 46 -0.682 -5.717 -3.386 329 HE2 PHE 46 HE2 PHE 46 -4.594 -4.329 -4.733 330 HZ PHE 46 HZ PHE 46 -3.052 -6.212 -4.085 331 H CYS 47 H CYS 47 1.005 -0.035 -7.041 332 HA CYS 47 HA CYS 47 -1.642 0.351 -7.549 333 1HB CYS 47 2HB CYS 47 -1.225 0.840 -9.935 334 2HB CYS 47 1HB CYS 47 0.032 1.514 -8.933 335 H ASN 48 H ASN 48 -2.919 -0.777 -9.970 336 HA ASN 48 HA ASN 48 -3.568 -2.282 -7.502 337 1HB ASN 48 2HB ASN 48 -4.377 0.141 -7.578 338 2HB ASN 48 1HB ASN 48 -5.342 -0.260 -8.994 339 1HD2 ASN 48 HD2 ASN 48 -7.317 0.168 -8.059 340 H GLN 49 H GLN 49 -5.349 -1.371 -10.484 341 HA GLN 49 HA GLN 49 -4.742 -3.856 -11.696 342 1HB GLN 49 2HB GLN 49 -7.058 -3.840 -9.912 343 2HB GLN 49 1HB GLN 49 -7.603 -4.129 -11.546 344 1HG GLN 49 2HG GLN 49 -6.017 -6.040 -11.770 345 2HG GLN 49 1HG GLN 49 -5.396 -5.730 -10.152 346 1HE2 GLN 49 1HE2 GLN 49 -7.148 -5.848 -8.282 347 2HE2 GLN 49 2HE2 GLN 49 -8.809 -5.935 -8.839 348 H THR 50 H THR 50 -4.541 -1.896 -13.784 349 HA THR 50 HA THR 50 -5.816 -4.487 -14.133 350 HB THR 50 HB THR 50 -7.501 -3.416 -15.367 351 HG1 THR 50 HG1 THR 50 -5.849 -4.683 -16.676 352 1HG2 THR 50 1HG2 THR 50 -6.970 -1.099 -15.252 353 2HG2 THR 50 2HG2 THR 50 -6.836 -1.431 -16.979 354 3HG2 THR 50 3HG2 THR 50 -5.382 -1.325 -15.987 355 H ALA 51 H ALA 51 -3.250 -5.265 -14.102 356 HA ALA 51 HA ALA 51 -2.984 -2.814 -13.134 357 1HB ALA 51 1HB ALA 51 -1.008 -3.551 -12.177 358 2HB ALA 51 2HB ALA 51 -0.275 -3.924 -13.736 359 3HB ALA 51 3HB ALA 51 -1.389 -5.071 -12.989 360 H CYS 52 H CYS 52 -0.164 -2.103 -13.812 361 HA CYS 52 HA CYS 52 -1.989 0.018 -14.620 362 1HB CYS 52 2HB CYS 52 -0.485 1.031 -12.542 363 2HB CYS 52 1HB CYS 52 -1.995 0.196 -12.370 364 HA PRO 53 HA PRO 53 1.290 -1.071 -16.773 365 1HB PRO 53 2HB PRO 53 0.932 0.024 -19.352 366 2HB PRO 53 1HB PRO 53 0.026 -1.339 -18.702 367 1HG PRO 53 2HG PRO 53 -0.842 1.464 -19.099 368 2HG PRO 53 1HG PRO 53 -1.841 0.021 -18.863 369 1HD PRO 53 2HD PRO 53 -1.292 2.060 -16.927 370 2HD PRO 53 1HD PRO 53 -2.097 0.513 -16.620 371 H ALA 54 H ALA 54 2.330 1.259 -15.503 372 HA ALA 54 HA ALA 54 2.725 3.552 -15.866 373 1HB ALA 54 1HB ALA 54 5.021 3.552 -16.105 374 2HB ALA 54 2HB ALA 54 4.864 3.193 -17.821 375 3HB ALA 54 3HB ALA 54 4.939 1.871 -16.652 376 H ASP 55 H ASP 55 2.750 5.523 -17.703 377 HA ASP 55 HA ASP 55 4.330 3.946 -19.608 378 1HB ASP 55 1HB ASP 55 2.294 5.007 -20.664 379 2HB ASP 55 2HB ASP 55 2.923 6.583 -20.266 380 H CYS 56 H CYS 56 4.306 7.115 -19.770 381 HA CYS 56 HA CYS 56 4.772 8.928 -18.559 382 1HB CYS 56 2HB CYS 56 3.282 8.318 -17.065 383 2HB CYS 56 1HB CYS 56 3.817 6.642 -17.037 384 H ASP 57 H ASP 57 5.832 9.716 -16.317 385 HA ASP 57 HA ASP 57 7.663 11.163 -16.637 386 1HB ASP 57 1HB ASP 57 7.945 10.330 -14.455 387 2HB ASP 57 2HB ASP 57 8.295 8.698 -14.997 388 HA PRO 58 HA PRO 58 9.842 12.231 -18.294 389 1HB PRO 58 2HB PRO 58 8.588 13.067 -20.717 390 2HB PRO 58 1HB PRO 58 10.263 12.561 -20.535 391 1HG PRO 58 2HG PRO 58 8.087 11.121 -21.841 392 2HG PRO 58 1HG PRO 58 9.788 10.678 -21.769 393 1HD PRO 58 2HD PRO 58 7.572 9.535 -20.244 394 2HD PRO 58 1HD PRO 58 9.266 9.022 -20.243 395 H ASN 59 H ASN 59 6.518 11.113 -18.415 396 HA ASN 59 HA ASN 59 5.291 13.304 -19.581 397 1HB ASN 59 2HB ASN 59 4.748 10.793 -17.948 398 2HB ASN 59 1HB ASN 59 3.410 11.718 -18.618 399 1HD2 ASN 59 1HD2 ASN 59 3.505 9.006 -19.995 400 2HD2 ASN 59 2HD2 ASN 59 2.853 10.229 -21.070 401 H THR 60 H THR 60 5.878 12.306 -16.683 402 HA THR 60 HA THR 60 4.406 12.256 -14.489 403 HB THR 60 HB THR 60 5.568 14.236 -13.547 404 HG1 THR 60 HG1 THR 60 5.363 15.182 -16.159 405 1HG2 THR 60 1HG2 THR 60 6.946 12.430 -15.070 406 2HG2 THR 60 2HG2 THR 60 7.786 13.753 -14.242 407 3HG2 THR 60 3HG2 THR 60 7.337 13.876 -15.962 408 H GLN 61 H GLN 61 2.771 12.804 -16.904 409 HA GLN 61 HA GLN 61 0.625 12.642 -14.931 410 1HB GLN 61 1HB GLN 61 0.986 11.643 -17.512 411 2HB GLN 61 2HB GLN 61 1.376 10.231 -16.570 412 1HG GLN 61 2HG GLN 61 -0.808 9.968 -15.764 413 2HG GLN 61 1HG GLN 61 -1.160 11.693 -15.823 414 1HE2 GLN 61 2HE2 GLN 61 -1.336 8.688 -17.380 415 2HE2 GLN 61 1HE2 GLN 61 -2.326 9.232 -18.721 416 H ALA 62 H ALA 62 0.450 11.188 -13.258 417 HA ALA 62 HA ALA 62 1.333 10.123 -11.415 418 1HB ALA 62 1HB ALA 62 2.353 8.617 -13.865 419 2HB ALA 62 2HB ALA 62 0.907 8.254 -12.921 420 3HB ALA 62 3HB ALA 62 2.512 7.955 -12.240 421 H SER 63 H SER 63 3.885 9.086 -12.978 422 HA SER 63 HA SER 63 5.553 10.624 -13.991 423 1HB SER 63 2HB SER 63 5.907 11.740 -11.155 424 2HB SER 63 1HB SER 63 6.598 12.384 -12.645 425 HG SER 63 HG SER 63 4.166 12.383 -13.177 426 H CYS 64 H CYS 64 6.587 8.494 -14.226 427 HA CYS 64 HA CYS 64 5.592 7.167 -12.037 428 1HB CYS 64 2HB CYS 64 7.538 5.490 -13.479 429 2HB CYS 64 1HB CYS 64 5.806 5.317 -13.408 430 H GLU 65 H GLU 65 6.704 5.595 -10.435 431 HA GLU 65 HA GLU 65 8.239 7.866 -9.383 432 1HB GLU 65 2HB GLU 65 5.688 7.697 -8.880 433 2HB GLU 65 1HB GLU 65 6.086 6.315 -7.897 434 1HG GLU 65 2HG GLU 65 5.867 8.645 -6.715 435 2HG GLU 65 1HG GLU 65 7.208 7.604 -6.258 436 H CYS 66 H CYS 66 8.154 4.655 -9.486 437 HA CYS 66 HA CYS 66 7.447 4.705 -6.843 438 1HB CYS 66 1HB CYS 66 7.016 2.143 -8.245 439 2HB CYS 66 2HB CYS 66 5.857 3.365 -7.698 440 HA PRO 67 HA PRO 67 11.321 1.457 -6.862 441 1HB PRO 67 2HB PRO 67 12.397 3.158 -9.037 442 2HB PRO 67 1HB PRO 67 12.594 1.414 -8.761 443 1HG PRO 67 2HG PRO 67 10.811 2.702 -10.627 444 2HG PRO 67 1HG PRO 67 10.905 0.977 -10.280 445 1HD PRO 67 2HD PRO 67 8.725 2.710 -9.595 446 2HD PRO 67 1HD PRO 67 8.954 1.059 -9.027 447 H GLU 68 H GLU 68 13.570 2.806 -6.265 448 HA GLU 68 HA GLU 68 13.339 2.730 -3.943 449 1HB GLU 68 2HB GLU 68 12.102 5.478 -4.070 450 2HB GLU 68 1HB GLU 68 13.481 4.948 -3.143 451 1HG GLU 68 2HG GLU 68 13.553 5.355 -6.180 452 2HG GLU 68 1HG GLU 68 14.065 6.564 -5.013 453 H GLY 69 H GLY 69 11.885 1.291 -3.279 454 1HA GLY 69 1HA GLY 69 9.621 1.143 -2.218 455 2HA GLY 69 2HA GLY 69 9.050 2.144 -3.589 456 H TYR 70 H TYR 70 9.991 1.037 -5.859 457 HA TYR 70 HA TYR 70 10.925 -0.809 -6.910 458 1HB TYR 70 2HB TYR 70 12.518 0.246 -5.038 459 2HB TYR 70 1HB TYR 70 12.229 -1.256 -4.181 460 HD1 TYR 70 HD1 TYR 70 14.253 -2.466 -4.280 461 HD2 TYR 70 HD2 TYR 70 12.643 -0.651 -7.906 462 HE1 TYR 70 HE1 TYR 70 16.058 -3.575 -5.637 463 HE2 TYR 70 HE2 TYR 70 14.436 -1.773 -9.265 464 HH TYR 70 HH TYR 70 16.547 -4.220 -7.933 465 H ILE 71 H ILE 71 8.641 -2.732 -6.696 466 HA ILE 71 HA ILE 71 11.407 -3.150 -7.493 467 HB ILE 71 HB ILE 71 10.460 -4.948 -5.772 468 1HG1 ILE 71 1HG1 ILE 71 11.959 -6.150 -8.078 469 2HG1 ILE 71 2HG1 ILE 71 12.682 -4.798 -7.240 470 1HG2 ILE 71 1HG2 ILE 71 8.512 -5.484 -7.358 471 2HG2 ILE 71 2HG2 ILE 71 9.408 -6.866 -6.728 472 3HG2 ILE 71 3HG2 ILE 71 9.692 -6.310 -8.378 473 1HD1 ILE 71 1HD1 ILE 71 12.541 -7.570 -6.384 474 2HD1 ILE 71 2HD1 ILE 71 11.711 -6.565 -5.196 475 3HD1 ILE 71 3HD1 ILE 71 13.392 -6.231 -5.612 476 H LEU 72 H LEU 72 8.093 -2.919 -8.261 477 HA LEU 72 HA LEU 72 7.252 -2.457 -10.370 478 1HB LEU 72 2HB LEU 72 9.197 -0.821 -9.624 479 2HB LEU 72 1HB LEU 72 10.042 -1.448 -10.993 480 HG LEU 72 HG LEU 72 7.812 -0.929 -12.292 481 1HD1 LEU 72 1HD2 LEU 72 6.300 0.160 -11.104 482 2HD1 LEU 72 2HD2 LEU 72 7.472 1.474 -10.793 483 3HD1 LEU 72 3HD2 LEU 72 7.344 0.100 -9.681 484 1HD2 LEU 72 1HD1 LEU 72 9.312 1.574 -11.707 485 2HD2 LEU 72 2HD1 LEU 72 9.037 0.761 -13.250 486 3HD2 LEU 72 3HD1 LEU 72 10.317 0.202 -12.175 487 H ASP 73 H ASP 73 7.550 -3.190 -13.184 488 HA ASP 73 HA ASP 73 9.625 -1.552 -13.050 489 1HB ASP 73 2HB ASP 73 11.147 -2.840 -11.851 490 2HB ASP 73 1HB ASP 73 10.568 -4.334 -12.539 491 H ASP 74 H ASP 74 10.378 -0.879 -14.910 492 HA ASP 74 HA ASP 74 9.981 -0.447 -17.129 493 1HB ASP 74 2HB ASP 74 11.865 -2.452 -16.748 494 2HB ASP 74 1HB ASP 74 10.731 -3.309 -17.784 495 H GLY 75 H GLY 75 7.141 -1.154 -16.267 496 1HA GLY 75 2HA GLY 75 7.612 -0.216 -19.035 497 2HA GLY 75 1HA GLY 75 6.328 0.292 -17.940 498 H PHE 76 H PHE 76 6.549 1.749 -16.794 499 HA PHE 76 HA PHE 76 8.855 1.516 -15.155 500 1HB PHE 76 2HB PHE 76 8.883 3.938 -16.543 501 2HB PHE 76 1HB PHE 76 8.114 4.401 -15.035 502 HD1 PHE 76 HD1 PHE 76 9.485 5.117 -13.276 503 HD2 PHE 76 HD2 PHE 76 11.062 2.295 -16.202 504 HE1 PHE 76 HE1 PHE 76 11.731 5.195 -12.139 505 HE2 PHE 76 HE2 PHE 76 13.306 2.366 -15.061 506 HZ PHE 76 HZ PHE 76 13.637 3.813 -13.027 507 H ILE 77 H ILE 77 6.529 0.451 -14.962 508 HA ILE 77 HA ILE 77 4.348 1.890 -14.720 509 HB ILE 77 HB ILE 77 3.762 -0.252 -14.970 510 1HG1 ILE 77 1HG1 ILE 77 2.357 0.460 -13.005 511 2HG1 ILE 77 2HG1 ILE 77 2.550 -1.246 -13.226 512 1HG2 ILE 77 1HG2 ILE 77 5.991 -0.929 -13.085 513 2HG2 ILE 77 2HG2 ILE 77 5.773 -1.386 -14.773 514 3HG2 ILE 77 3HG2 ILE 77 4.786 -2.157 -13.515 515 1HD1 ILE 77 1HD1 ILE 77 4.645 -0.856 -11.536 516 2HD1 ILE 77 2HD1 ILE 77 3.017 -1.216 -10.979 517 3HD1 ILE 77 3HD1 ILE 77 3.588 0.447 -10.985 518 H CYS 78 H CYS 78 2.767 2.032 -12.893 519 HA CYS 78 HA CYS 78 3.710 2.620 -10.298 520 1HB CYS 78 2HB CYS 78 4.444 4.630 -12.145 521 2HB CYS 78 1HB CYS 78 3.049 5.299 -11.328 522 H THR 79 H THR 79 1.583 3.819 -12.869 523 HA THR 79 HA THR 79 -0.714 2.762 -11.537 524 HB THR 79 HB THR 79 -0.273 4.948 -10.262 525 HG1 THR 79 HG1 THR 79 -2.374 5.480 -10.268 526 1HG2 THR 79 1HG2 THR 79 -0.362 7.033 -11.303 527 2HG2 THR 79 2HG2 THR 79 -1.447 6.474 -12.576 528 3HG2 THR 79 3HG2 THR 79 0.275 6.102 -12.660 529 H ASP 80 H ASP 80 -1.262 1.771 -13.747 530 HA ASP 80 HA ASP 80 -2.910 3.447 -15.204 531 1HB ASP 80 2HB ASP 80 -3.476 1.145 -15.315 532 2HB ASP 80 1HB ASP 80 -3.376 0.962 -13.555 533 H ILE 81 H ILE 81 -2.565 5.588 -13.297 534 HA ILE 81 HA ILE 81 -5.077 6.286 -12.843 535 HB ILE 81 HB ILE 81 -3.190 7.643 -13.978 536 1HG1 ILE 81 2HG1 ILE 81 -4.845 9.283 -14.977 537 2HG1 ILE 81 1HG1 ILE 81 -6.100 8.097 -14.718 538 1HG2 ILE 81 1HG2 ILE 81 -4.565 7.444 -16.594 539 2HG2 ILE 81 2HG2 ILE 81 -3.678 5.990 -16.139 540 3HG2 ILE 81 3HG2 ILE 81 -2.842 7.541 -16.232 541 1HD1 ILE 81 1HD1 ILE 81 -6.339 9.061 -12.648 542 2HD1 ILE 81 2HD1 ILE 81 -4.776 9.870 -12.750 543 3HD1 ILE 81 3HD1 ILE 81 -4.868 8.195 -12.204 544 H ASP 82 H ASP 82 -7.107 6.426 -13.901 545 HA ASP 82 HA ASP 82 -7.160 5.410 -16.628 546 1HB ASP 82 1HB ASP 82 -7.685 3.388 -15.155 547 2HB ASP 82 2HB ASP 82 -9.084 4.255 -14.527 548 H GLU 83 H GLU 83 -10.143 5.534 -14.751 549 HA GLU 83 HA GLU 83 -10.407 8.381 -15.412 550 1HB GLU 83 1HB GLU 83 -12.230 6.783 -13.555 551 2HB GLU 83 2HB GLU 83 -12.629 8.238 -14.435 552 1HG GLU 83 1HG GLU 83 -12.046 6.704 -16.575 553 2HG GLU 83 2HG GLU 83 -12.432 5.402 -15.454 554 H1 NAG 121 H1 ASN 21 -15.115 -1.952 13.375 555 H2 NAG 121 H2 ASN 21 -14.714 -1.133 10.681 556 H3 NAG 121 H3 ASN 21 -16.593 0.801 12.092 557 H4 NAG 121 H4 ASN 21 -17.305 -0.958 9.716 558 H5 NAG 121 H5 ASN 21 -18.929 -1.468 12.026 559 1H6 NAG 121 1H6 ASN 21 -17.796 -3.856 11.600 560 2H6 NAG 121 2H6 ASN 21 -17.265 -3.077 10.110 561 1H8 NAG 121 1H8 ASN 21 -11.327 -0.715 11.079 562 2H8 NAG 121 2H8 ASN 21 -12.830 -1.659 11.065 563 3H8 NAG 121 3H8 ASN 21 -12.488 -0.516 9.752 564 HN2 NAG 121 HN2 ASN 21 -14.231 0.147 13.283 565 HO4 NAG 121 HO4 ASN 21 -18.867 0.294 9.639 566 HO3 NAG 121 HO3 ASN 21 -16.527 1.120 9.553 567 HO6 NAG 121 H6 ASN 21 -19.139 -3.665 9.521 568 H1 NAG 148 H1 ASN 48 -7.976 -1.368 -5.654 569 H2 NAG 148 H2 ASN 48 -6.873 1.322 -5.559 570 H3 NAG 148 H3 ASN 48 -8.668 2.258 -3.992 571 H4 NAG 148 H4 ASN 48 -11.025 1.473 -4.607 572 H5 NAG 148 H5 ASN 48 -10.202 -1.275 -5.081 573 1H6 NAG 148 1H6 ASN 48 -12.500 -0.098 -5.470 574 2H6 NAG 148 2H6 ASN 48 -11.961 -1.233 -6.709 575 1H8 NAG 148 1H8 ASN 48 -5.055 1.383 -4.719 576 2H8 NAG 148 2H8 ASN 48 -4.804 1.144 -2.978 577 3H8 NAG 148 3H8 ASN 48 -3.908 0.155 -4.148 578 HN2 NAG 148 HN2 ASN 48 -7.768 0.166 -3.094 579 HO4 NAG 148 HO4 ASN 48 -10.430 -0.602 -3.329 580 HO3 NAG 148 HO3 ASN 48 -9.944 2.933 -5.773 581 HO6 NAG 148 H6 ASN 48 -12.622 0.607 -7.654 Start of MODEL 8 1 1H HIS 1 1H HIS 1 6.905 -3.065 27.346 2 2H HIS 1 2H HIS 1 7.402 -4.383 28.295 3 3H HIS 1 3H HIS 1 8.436 -3.758 27.101 4 HA HIS 1 HA HIS 1 7.099 -4.472 25.382 5 1HB HIS 1 1HB HIS 1 7.432 -6.587 27.551 6 2HB HIS 1 2HB HIS 1 6.843 -6.987 25.953 7 HD2 HIS 1 HD2 HIS 1 10.023 -5.653 27.690 8 HE1 HIS 1 HE1 HIS 1 11.220 -6.972 23.782 9 HE2 HIS 1 HE2 HIS 1 12.088 -6.079 26.036 10 H MET 2 H MET 2 4.742 -6.717 25.684 11 HA MET 2 HA MET 2 3.964 -4.050 24.723 12 1HB MET 2 1HB MET 2 4.890 -4.379 22.503 13 2HB MET 2 2HB MET 2 6.176 -4.736 23.633 14 1HG MET 2 1HG MET 2 5.160 -7.244 23.400 15 2HG MET 2 2HG MET 2 4.651 -6.612 21.844 16 1HE MET 2 1HE MET 2 6.555 -8.994 22.596 17 2HE MET 2 2HE MET 2 7.474 -8.175 23.869 18 3HE MET 2 3HE MET 2 8.295 -8.722 22.396 19 H GLU 3 H GLU 3 1.651 -5.747 25.617 20 HA GLU 3 HA GLU 3 1.492 -3.392 24.326 21 1HB GLU 3 2HB GLU 3 1.166 -5.567 22.377 22 2HB GLU 3 1HB GLU 3 -0.284 -4.568 22.424 23 1HG GLU 3 1HG GLU 3 0.872 -3.252 20.939 24 2HG GLU 3 2HG GLU 3 1.625 -2.598 22.389 25 HA PRO 4 HA PRO 4 -2.889 -3.540 25.624 26 1HB PRO 4 1HB PRO 4 -3.354 -1.183 24.039 27 2HB PRO 4 2HB PRO 4 -3.249 -1.271 25.794 28 1HG PRO 4 1HG PRO 4 -1.287 -0.192 23.921 29 2HG PRO 4 2HG PRO 4 -1.247 -0.146 25.685 30 1HD PRO 4 2HD PRO 4 0.353 -1.802 23.941 31 2HD PRO 4 1HD PRO 4 0.342 -1.818 25.711 32 H VAL 5 H VAL 5 -1.722 -5.038 23.578 33 HA VAL 5 HA VAL 5 -2.547 -5.399 21.221 34 HB VAL 5 HB VAL 5 -2.143 -7.327 22.007 35 1HG1 VAL 5 1HG1 VAL 5 -3.456 -6.455 24.517 36 2HG1 VAL 5 2HG1 VAL 5 -3.543 -8.194 24.250 37 3HG1 VAL 5 3HG1 VAL 5 -1.975 -7.386 24.297 38 1HG2 VAL 5 1HG2 VAL 5 -4.890 -7.407 21.220 39 2HG2 VAL 5 2HG2 VAL 5 -3.708 -8.702 21.200 40 3HG2 VAL 5 3HG2 VAL 5 -4.726 -8.465 22.611 41 H ASP 6 H ASP 6 -3.734 -3.706 20.753 42 HA ASP 6 HA ASP 6 -5.231 -3.560 18.948 43 1HB ASP 6 2HB ASP 6 -4.386 -5.244 17.621 44 2HB ASP 6 1HB ASP 6 -3.397 -5.510 19.012 45 HA PRO 7 HA PRO 7 -7.984 -6.309 17.675 46 1HB PRO 7 1HB PRO 7 -8.588 -4.325 15.681 47 2HB PRO 7 2HB PRO 7 -9.736 -5.227 16.660 48 1HG PRO 7 1HG PRO 7 -9.023 -2.418 16.896 49 2HG PRO 7 2HG PRO 7 -10.227 -3.305 17.821 50 1HD PRO 7 1HD PRO 7 -7.593 -2.432 18.710 51 2HD PRO 7 2HD PRO 7 -8.827 -3.278 19.655 52 H CYS 8 H CYS 8 -6.831 -3.361 16.034 53 HA CYS 8 HA CYS 8 -5.121 -4.900 14.299 54 1HB CYS 8 2HB CYS 8 -6.173 -2.883 13.449 55 2HB CYS 8 1HB CYS 8 -5.442 -1.932 14.754 56 H PHE 9 H PHE 9 -4.609 -2.664 16.984 57 HA PHE 9 HA PHE 9 -2.049 -2.036 16.774 58 1HB PHE 9 1HB PHE 9 -3.734 -1.781 18.801 59 2HB PHE 9 2HB PHE 9 -2.911 -3.239 19.397 60 HD1 PHE 9 HD1 PHE 9 -1.586 -0.224 17.518 61 HD2 PHE 9 HD2 PHE 9 -1.494 -2.563 21.198 62 HE1 PHE 9 HE1 PHE 9 0.273 1.229 18.394 63 HE2 PHE 9 HE2 PHE 9 0.352 -1.095 22.081 64 HZ PHE 9 HZ PHE 9 1.249 0.785 20.672 65 H ARG 10 H ARG 10 -0.002 -2.825 17.800 66 HA ARG 10 HA ARG 10 1.592 -4.391 17.542 67 1HB ARG 10 2HB ARG 10 -0.542 -5.693 18.851 68 2HB ARG 10 1HB ARG 10 -0.073 -6.832 17.586 69 1HG ARG 10 2HG ARG 10 2.366 -5.918 18.705 70 2HG ARG 10 1HG ARG 10 1.272 -6.008 20.069 71 1HD ARG 10 1HD ARG 10 1.242 -8.395 18.223 72 2HD ARG 10 2HD ARG 10 2.687 -8.191 19.233 73 HE ARG 10 HE ARG 10 1.125 -8.163 21.183 74 1HH1 ARG 10 2HH1 ARG 10 -0.745 -8.507 18.330 75 2HH1 ARG 10 1HH1 ARG 10 -1.796 -9.674 19.063 76 1HH2 ARG 10 2HH2 ARG 10 0.681 -10.725 21.347 77 2HH2 ARG 10 1HH2 ARG 10 -0.860 -11.111 20.658 78 H ALA 11 H ALA 11 -0.763 -4.005 15.528 79 HA ALA 11 HA ALA 11 -1.251 -6.238 14.101 80 1HB ALA 11 1HB ALA 11 -2.719 -4.762 13.155 81 2HB ALA 11 2HB ALA 11 -1.651 -3.415 13.565 82 3HB ALA 11 3HB ALA 11 -1.455 -4.283 12.038 83 H ASN 12 H ASN 12 2.297 -5.516 13.672 84 HA ASN 12 HA ASN 12 1.321 -3.051 13.189 85 1HB ASN 12 1HB ASN 12 3.866 -4.068 13.284 86 2HB ASN 12 2HB ASN 12 3.781 -3.718 11.561 87 1HD2 ASN 12 1HD2 ASN 12 4.509 -1.675 11.018 88 2HD2 ASN 12 2HD2 ASN 12 5.226 -0.824 12.373 89 H CYS 13 H CYS 13 -0.640 -3.081 11.389 90 HA CYS 13 HA CYS 13 -0.001 -1.859 9.240 91 1HB CYS 13 1HB CYS 13 -0.221 -0.132 11.779 92 2HB CYS 13 2HB CYS 13 -0.700 0.282 10.128 93 H GLU 14 H GLU 14 1.945 -2.070 8.457 94 HA GLU 14 HA GLU 14 4.224 -0.718 8.612 95 1HB GLU 14 2HB GLU 14 3.260 -1.225 6.409 96 2HB GLU 14 1HB GLU 14 2.016 -0.028 6.656 97 1HG GLU 14 1HG GLU 14 3.935 0.723 5.141 98 2HG GLU 14 2HG GLU 14 3.619 1.806 6.493 99 H TYR 15 H TYR 15 1.874 1.610 7.433 100 HA TYR 15 HA TYR 15 2.245 3.484 9.555 101 1HB TYR 15 2HB TYR 15 1.080 3.582 7.138 102 2HB TYR 15 1HB TYR 15 -0.390 3.346 8.054 103 HD1 TYR 15 HD1 TYR 15 2.564 5.558 7.466 104 HD2 TYR 15 HD2 TYR 15 -1.236 5.120 9.559 105 HE1 TYR 15 HE1 TYR 15 2.582 8.015 8.007 106 HE2 TYR 15 HE2 TYR 15 -1.220 7.579 10.102 107 HH TYR 15 HH TYR 15 1.266 9.468 10.148 108 H GLN 16 H GLN 16 -0.799 3.543 9.701 109 HA GLN 16 HA GLN 16 -0.867 1.829 12.111 110 1HB GLN 16 2HB GLN 16 -1.278 4.564 11.729 111 2HB GLN 16 1HB GLN 16 -2.912 3.993 11.891 112 1HG GLN 16 1HG GLN 16 -2.281 2.809 14.032 113 2HG GLN 16 2HG GLN 16 -0.624 3.353 13.843 114 1HE2 GLN 16 2HE2 GLN 16 -0.404 4.748 15.585 115 2HE2 GLN 16 1HE2 GLN 16 -0.850 6.390 15.161 116 H CYS 17 H CYS 17 -3.494 2.447 12.575 117 HA CYS 17 HA CYS 17 -4.369 -0.034 11.199 118 1HB CYS 17 1HB CYS 17 -5.052 0.895 14.030 119 2HB CYS 17 2HB CYS 17 -5.617 -0.597 13.296 120 H GLN 18 H GLN 18 -5.979 0.816 9.366 121 HA GLN 18 HA GLN 18 -8.465 0.848 10.675 122 1HB GLN 18 2HB GLN 18 -8.601 -0.343 8.136 123 2HB GLN 18 1HB GLN 18 -8.878 1.377 8.479 124 1HG GLN 18 1HG GLN 18 -6.113 0.301 7.874 125 2HG GLN 18 2HG GLN 18 -7.224 0.670 6.571 126 1HE2 GLN 18 1HE2 GLN 18 -6.512 2.888 9.650 127 2HE2 GLN 18 2HE2 GLN 18 -7.842 3.593 8.750 128 HA PRO 19 HA PRO 19 -9.426 -3.485 10.537 129 1HB PRO 19 1HB PRO 19 -11.787 -2.484 11.898 130 2HB PRO 19 2HB PRO 19 -10.676 -3.738 12.443 131 1HG PRO 19 1HG PRO 19 -10.914 -1.084 13.501 132 2HG PRO 19 2HG PRO 19 -9.729 -2.311 13.951 133 1HD PRO 19 1HD PRO 19 -9.302 0.102 12.344 134 2HD PRO 19 2HD PRO 19 -8.094 -1.046 12.945 135 H LEU 20 H LEU 20 -9.341 -2.582 8.332 136 HA LEU 20 HA LEU 20 -11.347 -2.464 6.615 137 1HB LEU 20 1HB LEU 20 -9.539 -3.932 6.122 138 2HB LEU 20 2HB LEU 20 -9.898 -4.953 7.499 139 HG LEU 20 HG LEU 20 -11.930 -5.600 6.603 140 1HD1 LEU 20 1HD2 LEU 20 -12.619 -3.471 5.463 141 2HD1 LEU 20 2HD2 LEU 20 -11.485 -3.819 4.161 142 3HD1 LEU 20 3HD2 LEU 20 -12.877 -4.867 4.422 143 1HD2 LEU 20 1HD1 LEU 20 -9.527 -5.932 4.884 144 2HD2 LEU 20 2HD1 LEU 20 -10.557 -7.166 5.654 145 3HD2 LEU 20 3HD1 LEU 20 -11.045 -6.420 4.135 146 H ASN 21 H ASN 21 -11.492 -4.399 9.441 147 HA ASN 21 HA ASN 21 -13.174 -5.783 10.326 148 1HB ASN 21 1HB ASN 21 -14.529 -3.255 9.309 149 2HB ASN 21 2HB ASN 21 -15.513 -4.551 10.007 150 1HD2 ASN 21 HD2 ASN 21 -16.020 -2.790 11.916 151 H GLN 22 H GLN 22 -15.219 -7.220 9.817 152 HA GLN 22 HA GLN 22 -14.646 -9.266 9.003 153 1HB GLN 22 1HB GLN 22 -15.298 -8.115 6.772 154 2HB GLN 22 2HB GLN 22 -13.593 -7.838 6.513 155 1HG GLN 22 1HG GLN 22 -13.533 -10.529 7.070 156 2HG GLN 22 2HG GLN 22 -15.134 -10.399 6.349 157 1HE2 GLN 22 2HE2 GLN 22 -13.922 -11.785 4.565 158 2HE2 GLN 22 1HE2 GLN 22 -12.323 -11.213 4.130 159 H THR 23 H THR 23 -12.576 -7.951 10.731 160 HA THR 23 HA THR 23 -11.024 -6.495 8.957 161 HB THR 23 HB THR 23 -9.483 -6.039 10.759 162 HG1 THR 23 HG1 THR 23 -10.166 -7.847 12.538 163 1HG2 THR 23 1HG2 THR 23 -11.623 -5.115 11.371 164 2HG2 THR 23 2HG2 THR 23 -12.263 -6.687 11.852 165 3HG2 THR 23 3HG2 THR 23 -11.019 -5.903 12.829 166 H SER 24 H SER 24 -10.139 -7.455 7.189 167 HA SER 24 HA SER 24 -7.733 -8.869 7.506 168 1HB SER 24 2HB SER 24 -8.654 -7.631 5.401 169 2HB SER 24 1HB SER 24 -7.991 -6.169 6.134 170 HG SER 24 HG SER 24 -6.229 -6.714 5.282 171 H TYR 25 H TYR 25 -8.818 -6.314 9.047 172 HA TYR 25 HA TYR 25 -8.057 -4.054 8.965 173 1HB TYR 25 2HB TYR 25 -6.533 -3.607 11.011 174 2HB TYR 25 1HB TYR 25 -7.965 -4.563 11.294 175 HD1 TYR 25 HD1 TYR 25 -7.808 -6.850 12.123 176 HD2 TYR 25 HD2 TYR 25 -4.255 -4.748 10.722 177 HE1 TYR 25 HE1 TYR 25 -6.361 -8.716 12.999 178 HE2 TYR 25 HE2 TYR 25 -2.805 -6.608 11.600 179 HH TYR 25 HH TYR 25 -2.794 -8.692 12.538 180 H LEU 26 H LEU 26 -6.934 -2.817 7.984 181 HA LEU 26 HA LEU 26 -5.148 -4.318 6.287 182 1HB LEU 26 2HB LEU 26 -6.516 -3.543 4.519 183 2HB LEU 26 1HB LEU 26 -7.581 -3.675 5.938 184 HG LEU 26 HG LEU 26 -6.445 -1.034 5.917 185 1HD1 LEU 26 1HD1 LEU 26 -8.203 -0.720 3.829 186 2HD1 LEU 26 2HD1 LEU 26 -6.433 -0.568 3.752 187 3HD1 LEU 26 3HD1 LEU 26 -7.214 -2.107 3.329 188 1HD2 LEU 26 1HD2 LEU 26 -9.255 -2.060 5.548 189 2HD2 LEU 26 2HD2 LEU 26 -8.424 -2.004 7.102 190 3HD2 LEU 26 3HD2 LEU 26 -8.777 -0.493 6.190 191 H CYS 27 H CYS 27 -5.297 -1.595 7.837 192 HA CYS 27 HA CYS 27 -3.956 -0.099 8.643 193 1HB CYS 27 1HB CYS 27 -2.256 -2.131 7.261 194 2HB CYS 27 2HB CYS 27 -1.392 -0.888 8.197 195 H VAL 28 H VAL 28 -2.479 1.724 8.363 196 HA VAL 28 HA VAL 28 -3.716 2.822 5.951 197 HB VAL 28 HB VAL 28 -2.399 4.714 7.808 198 1HG1 VAL 28 1HG2 VAL 28 -4.358 4.881 5.879 199 2HG1 VAL 28 2HG2 VAL 28 -5.313 4.941 7.361 200 3HG1 VAL 28 3HG2 VAL 28 -4.028 6.118 7.091 201 1HG2 VAL 28 1HG1 VAL 28 -3.027 3.681 9.723 202 2HG2 VAL 28 2HG1 VAL 28 -4.600 4.369 9.357 203 3HG2 VAL 28 3HG1 VAL 28 -4.277 2.688 8.958 204 H CYS 29 H CYS 29 -2.401 4.584 4.714 205 HA CYS 29 HA CYS 29 0.377 4.573 5.566 206 1HB CYS 29 1HB CYS 29 -1.089 4.790 2.959 207 2HB CYS 29 2HB CYS 29 0.646 5.042 3.057 208 H ALA 30 H ALA 30 1.150 6.534 3.944 209 HA ALA 30 HA ALA 30 0.648 8.997 4.959 210 1HB ALA 30 1HB ALA 30 1.599 10.024 2.924 211 2HB ALA 30 2HB ALA 30 2.460 8.533 3.333 212 3HB ALA 30 3HB ALA 30 1.278 8.543 2.015 213 H GLU 31 H GLU 31 -2.295 8.366 4.685 214 HA GLU 31 HA GLU 31 -2.039 6.649 2.733 215 1HB GLU 31 1HB GLU 31 -4.097 6.198 3.535 216 2HB GLU 31 2HB GLU 31 -4.229 7.793 4.194 217 1HG GLU 31 1HG GLU 31 -6.095 7.765 2.846 218 2HG GLU 31 2HG GLU 31 -4.963 8.511 1.737 219 H GLY 32 H GLY 32 -3.688 6.783 0.349 220 1HA GLY 32 2HA GLY 32 -1.974 7.828 -1.424 221 2HA GLY 32 1HA GLY 32 -0.846 7.275 -0.147 222 H PHE 33 H PHE 33 -2.591 4.936 0.584 223 HA PHE 33 HA PHE 33 -0.768 3.199 -0.912 224 1HB PHE 33 2HB PHE 33 0.046 5.426 0.843 225 2HB PHE 33 1HB PHE 33 0.612 3.880 1.452 226 HD1 PHE 33 HD1 PHE 33 0.260 5.232 -2.099 227 HD2 PHE 33 HD2 PHE 33 2.899 3.505 0.928 228 HE1 PHE 33 HE1 PHE 33 2.185 5.382 -3.686 229 HE2 PHE 33 HE2 PHE 33 4.763 3.480 -0.734 230 HZ PHE 33 HZ PHE 33 4.446 4.510 -3.003 231 H ALA 34 H ALA 34 -1.511 1.172 -0.378 232 HA ALA 34 HA ALA 34 -2.669 0.955 2.287 233 1HB ALA 34 1HB ALA 34 -4.388 2.081 0.769 234 2HB ALA 34 2HB ALA 34 -4.582 0.540 -0.041 235 3HB ALA 34 3HB ALA 34 -4.968 0.697 1.681 236 HA PRO 35 HA PRO 35 -2.326 -3.476 1.152 237 1HB PRO 35 1HB PRO 35 -4.775 -4.207 -0.310 238 2HB PRO 35 2HB PRO 35 -4.161 -4.837 1.215 239 1HG PRO 35 1HG PRO 35 -6.361 -3.080 0.938 240 2HG PRO 35 2HG PRO 35 -5.521 -3.435 2.443 241 1HD PRO 35 2HD PRO 35 -5.439 -1.021 0.795 242 2HD PRO 35 1HD PRO 35 -4.845 -1.207 2.460 243 H ILE 36 H ILE 36 -0.712 -2.311 -0.532 244 HA ILE 36 HA ILE 36 -0.488 -3.634 -2.816 245 HB ILE 36 HB ILE 36 1.322 -3.040 -1.441 246 1HG1 ILE 36 1HG1 ILE 36 1.204 -5.654 -2.731 247 2HG1 ILE 36 2HG1 ILE 36 2.420 -4.412 -2.801 248 1HG2 ILE 36 1HG2 ILE 36 2.003 -4.458 0.524 249 2HG2 ILE 36 2HG2 ILE 36 0.530 -3.516 0.764 250 3HG2 ILE 36 3HG2 ILE 36 0.426 -5.249 0.434 251 1HD1 ILE 36 1HD1 ILE 36 2.156 -6.258 -0.385 252 2HD1 ILE 36 2HD1 ILE 36 3.105 -6.675 -1.809 253 3HD1 ILE 36 3HD1 ILE 36 3.526 -5.246 -0.848 254 HA PRO 37 HA PRO 37 -2.165 -7.923 -2.710 255 1HB PRO 37 1HB PRO 37 0.475 -8.383 -4.005 256 2HB PRO 37 2HB PRO 37 -1.115 -8.872 -4.564 257 1HG PRO 37 1HG PRO 37 0.394 -6.713 -5.593 258 2HG PRO 37 2HG PRO 37 -1.338 -6.912 -5.836 259 1HD PRO 37 1HD PRO 37 0.050 -4.947 -4.184 260 2HD PRO 37 2HD PRO 37 -1.685 -5.018 -4.541 261 H HIS 38 H HIS 38 -1.195 -9.971 -1.860 262 HA HIS 38 HA HIS 38 -1.485 -10.104 0.516 263 1HB HIS 38 1HB HIS 38 0.434 -11.217 1.338 264 2HB HIS 38 2HB HIS 38 0.113 -11.743 -0.326 265 HD1 HIS 38 HD1 HIS 38 2.999 -11.709 1.475 266 HD2 HIS 38 HD2 HIS 38 1.784 -9.309 -1.780 267 HE1 HIS 38 HE1 HIS 38 5.149 -10.799 0.403 268 H GLU 39 H GLU 39 1.426 -9.458 1.576 269 HA GLU 39 HA GLU 39 0.148 -9.332 3.734 270 1HB GLU 39 1HB GLU 39 2.177 -7.559 4.552 271 2HB GLU 39 2HB GLU 39 2.249 -9.327 4.512 272 1HG GLU 39 1HG GLU 39 3.108 -9.045 2.057 273 2HG GLU 39 2HG GLU 39 3.298 -7.350 2.444 274 HA PRO 40 HA PRO 40 -2.084 -5.387 3.477 275 1HB PRO 40 1HB PRO 40 -4.100 -6.556 5.168 276 2HB PRO 40 2HB PRO 40 -4.226 -6.244 3.441 277 1HG PRO 40 1HG PRO 40 -3.939 -8.815 4.764 278 2HG PRO 40 2HG PRO 40 -4.136 -8.506 3.043 279 1HD PRO 40 1HD PRO 40 -1.708 -9.283 4.448 280 2HD PRO 40 2HD PRO 40 -1.907 -9.019 2.708 281 H HIS 41 H HIS 41 0.178 -5.953 5.330 282 HA HIS 41 HA HIS 41 -1.126 -3.937 7.061 283 1HB HIS 41 2HB HIS 41 1.080 -3.784 8.229 284 2HB HIS 41 1HB HIS 41 0.470 -5.446 8.263 285 HD1 HIS 41 HD1 HIS 41 1.921 -7.301 6.856 286 HD2 HIS 41 HD2 HIS 41 3.173 -3.270 6.567 287 HE1 HIS 41 HE1 HIS 41 4.122 -7.299 5.523 288 H ARG 42 H ARG 42 0.295 -4.127 4.269 289 HA ARG 42 HA ARG 42 2.220 -1.923 4.589 290 1HB ARG 42 1HB ARG 42 1.634 -3.890 2.391 291 2HB ARG 42 2HB ARG 42 2.454 -2.432 1.904 292 1HG ARG 42 1HG ARG 42 4.428 -3.133 2.741 293 2HG ARG 42 2HG ARG 42 3.698 -3.376 4.328 294 1HD ARG 42 1HD ARG 42 3.052 -5.682 3.732 295 2HD ARG 42 2HD ARG 42 3.510 -5.414 2.037 296 HE ARG 42 HE ARG 42 5.255 -6.196 4.124 297 1HH1 ARG 42 1HH2 ARG 42 5.266 -5.088 0.714 298 2HH1 ARG 42 2HH2 ARG 42 6.801 -5.880 0.839 299 1HH2 ARG 42 1HH1 ARG 42 6.930 -3.903 3.927 300 2HH2 ARG 42 2HH1 ARG 42 7.974 -4.465 2.664 301 H CYS 43 H CYS 43 2.306 0.034 2.710 302 HA CYS 43 HA CYS 43 -0.188 0.539 1.733 303 1HB CYS 43 2HB CYS 43 2.542 1.454 0.742 304 2HB CYS 43 1HB CYS 43 1.008 2.175 0.644 305 H GLN 44 H GLN 44 2.639 -0.444 0.698 306 HA GLN 44 HA GLN 44 3.495 0.063 -1.469 307 1HB GLN 44 2HB GLN 44 3.211 -2.759 -0.887 308 2HB GLN 44 1HB GLN 44 3.060 -2.531 -2.617 309 1HG GLN 44 1HG GLN 44 5.321 -2.252 -2.778 310 2HG GLN 44 2HG GLN 44 5.244 -0.866 -1.690 311 1HE2 GLN 44 2HE2 GLN 44 5.172 -1.384 0.738 312 2HE2 GLN 44 1HE2 GLN 44 5.114 -3.068 1.228 313 H MET 45 H MET 45 2.929 0.929 -3.469 314 HA MET 45 HA MET 45 0.986 2.271 -2.260 315 1HB MET 45 1HB MET 45 0.798 3.695 -4.210 316 2HB MET 45 2HB MET 45 2.426 3.024 -4.270 317 1HG MET 45 1HG MET 45 0.001 2.217 -5.902 318 2HG MET 45 2HG MET 45 1.518 2.880 -6.494 319 1HE MET 45 1HE MET 45 0.005 -0.243 -7.442 320 2HE MET 45 2HE MET 45 0.722 1.278 -8.022 321 3HE MET 45 3HE MET 45 1.608 -0.245 -8.213 322 H PHE 46 H PHE 46 -1.252 2.822 -2.563 323 HA PHE 46 HA PHE 46 -2.610 0.523 -2.704 324 1HB PHE 46 1HB PHE 46 -3.723 1.888 -1.204 325 2HB PHE 46 2HB PHE 46 -2.887 3.276 -1.811 326 HD1 PHE 46 HD1 PHE 46 -3.883 4.713 -3.640 327 HD2 PHE 46 HD2 PHE 46 -6.075 1.479 -1.702 328 HE1 PHE 46 HE1 PHE 46 -6.055 5.724 -4.412 329 HE2 PHE 46 HE2 PHE 46 -8.248 2.489 -2.471 330 HZ PHE 46 HZ PHE 46 -8.239 4.613 -3.826 331 H CYS 47 H CYS 47 -1.864 0.606 -5.646 332 HA CYS 47 HA CYS 47 -1.882 3.317 -5.796 333 1HB CYS 47 2HB CYS 47 -1.229 1.299 -7.653 334 2HB CYS 47 1HB CYS 47 -2.332 2.347 -8.519 335 H ASN 48 H ASN 48 -4.427 1.115 -6.845 336 HA ASN 48 HA ASN 48 -5.616 2.753 -8.728 337 1HB ASN 48 2HB ASN 48 -7.846 1.408 -7.731 338 2HB ASN 48 1HB ASN 48 -6.748 0.764 -8.931 339 1HD2 ASN 48 HD2 ASN 48 -7.713 0.727 -5.536 340 H GLN 49 H GLN 49 -6.008 5.418 -7.004 341 HA GLN 49 HA GLN 49 -7.663 4.168 -9.100 342 1HB GLN 49 2HB GLN 49 -7.555 6.711 -9.963 343 2HB GLN 49 1HB GLN 49 -8.650 6.254 -8.682 344 1HG GLN 49 2HG GLN 49 -5.869 7.074 -7.852 345 2HG GLN 49 1HG GLN 49 -6.943 8.343 -8.429 346 1HE2 GLN 49 1HE2 GLN 49 -6.939 9.222 -6.271 347 2HE2 GLN 49 2HE2 GLN 49 -7.257 8.230 -4.859 348 H THR 50 H THR 50 -4.711 6.401 -9.021 349 HA THR 50 HA THR 50 -4.415 5.723 -11.816 350 HB THR 50 HB THR 50 -6.721 6.714 -11.773 351 HG1 THR 50 HG1 THR 50 -6.224 8.421 -13.249 352 1HG2 THR 50 1HG2 THR 50 -7.226 8.613 -10.599 353 2HG2 THR 50 2HG2 THR 50 -5.897 9.498 -11.348 354 3HG2 THR 50 3HG2 THR 50 -5.607 8.533 -9.902 355 H ALA 51 H ALA 51 -4.009 8.836 -12.393 356 HA ALA 51 HA ALA 51 -2.308 7.125 -13.488 357 1HB ALA 51 1HB ALA 51 -1.191 8.963 -14.645 358 2HB ALA 51 2HB ALA 51 -1.534 10.082 -13.323 359 3HB ALA 51 3HB ALA 51 -2.850 9.480 -14.336 360 H CYS 52 H CYS 52 -0.758 5.934 -12.776 361 HA CYS 52 HA CYS 52 0.374 6.854 -10.242 362 1HB CYS 52 2HB CYS 52 -0.492 4.286 -11.439 363 2HB CYS 52 1HB CYS 52 0.865 4.188 -10.293 364 HA PRO 53 HA PRO 53 2.278 3.395 -12.191 365 1HB PRO 53 2HB PRO 53 2.829 3.161 -14.859 366 2HB PRO 53 1HB PRO 53 1.154 3.361 -14.315 367 1HG PRO 53 2HG PRO 53 2.957 5.311 -15.629 368 2HG PRO 53 1HG PRO 53 1.188 5.241 -15.636 369 1HD PRO 53 2HD PRO 53 2.866 6.954 -14.030 370 2HD PRO 53 1HD PRO 53 1.110 6.812 -13.942 371 H ALA 54 H ALA 54 3.927 3.224 -11.271 372 HA ALA 54 HA ALA 54 6.155 2.470 -10.949 373 1HB ALA 54 1HB ALA 54 5.351 1.207 -13.558 374 2HB ALA 54 2HB ALA 54 4.332 1.024 -12.145 375 3HB ALA 54 3HB ALA 54 5.991 0.408 -12.072 376 H ASP 55 H ASP 55 7.972 2.854 -11.185 377 HA ASP 55 HA ASP 55 9.987 3.819 -11.938 378 1HB ASP 55 1HB ASP 55 10.273 1.379 -11.802 379 2HB ASP 55 2HB ASP 55 9.455 1.234 -13.354 380 H CYS 56 H CYS 56 8.796 5.445 -12.845 381 HA CYS 56 HA CYS 56 7.938 6.027 -15.224 382 1HB CYS 56 1HB CYS 56 9.873 7.990 -14.485 383 2HB CYS 56 2HB CYS 56 8.121 8.068 -14.230 384 H ASP 57 H ASP 57 8.968 7.333 -17.020 385 HA ASP 57 HA ASP 57 11.456 6.313 -17.950 386 1HB ASP 57 1HB ASP 57 9.656 7.767 -19.229 387 2HB ASP 57 2HB ASP 57 10.496 9.150 -18.533 388 HA PRO 58 HA PRO 58 13.582 7.274 -14.514 389 1HB PRO 58 2HB PRO 58 16.185 7.698 -15.759 390 2HB PRO 58 1HB PRO 58 15.614 6.270 -14.907 391 1HG PRO 58 2HG PRO 58 15.932 6.615 -17.772 392 2HG PRO 58 1HG PRO 58 15.405 5.172 -16.917 393 1HD PRO 58 2HD PRO 58 13.762 6.913 -18.524 394 2HD PRO 58 1HD PRO 58 13.229 5.538 -17.538 395 H ASN 59 H ASN 59 13.894 9.609 -17.200 396 HA ASN 59 HA ASN 59 16.046 10.809 -15.632 397 1HB ASN 59 1HB ASN 59 16.626 10.172 -17.978 398 2HB ASN 59 2HB ASN 59 15.233 11.114 -18.566 399 1HD2 ASN 59 1HD2 ASN 59 15.135 13.346 -18.026 400 2HD2 ASN 59 2HD2 ASN 59 16.591 14.267 -18.373 401 H THR 60 H THR 60 13.597 11.545 -17.602 402 HA THR 60 HA THR 60 13.654 14.395 -16.847 403 HB THR 60 HB THR 60 13.866 14.069 -19.192 404 HG1 THR 60 HG1 THR 60 12.659 15.830 -18.517 405 1HG2 THR 60 1HG2 THR 60 12.687 11.873 -19.181 406 2HG2 THR 60 2HG2 THR 60 12.097 12.942 -20.477 407 3HG2 THR 60 3HG2 THR 60 11.149 12.723 -18.984 408 H GLN 61 H GLN 61 12.170 12.290 -15.285 409 HA GLN 61 HA GLN 61 10.126 13.887 -14.330 410 1HB GLN 61 1HB GLN 61 9.345 12.919 -16.846 411 2HB GLN 61 2HB GLN 61 8.601 11.767 -15.763 412 1HG GLN 61 2HG GLN 61 7.634 13.750 -14.449 413 2HG GLN 61 1HG GLN 61 8.216 14.797 -15.737 414 1HE2 GLN 61 2HE2 GLN 61 6.994 13.852 -18.301 415 2HE2 GLN 61 1HE2 GLN 61 6.059 15.063 -17.443 416 H ALA 62 H ALA 62 10.302 12.801 -12.054 417 HA ALA 62 HA ALA 62 8.691 10.765 -11.585 418 1HB ALA 62 1HB ALA 62 7.533 12.207 -10.162 419 2HB ALA 62 2HB ALA 62 7.110 13.310 -11.471 420 3HB ALA 62 3HB ALA 62 8.703 13.402 -10.719 421 H SER 63 H SER 63 8.494 9.846 -13.776 422 HA SER 63 HA SER 63 5.893 10.727 -14.862 423 1HB SER 63 2HB SER 63 8.292 9.524 -16.063 424 2HB SER 63 1HB SER 63 6.883 8.536 -16.437 425 HG SER 63 HG SER 63 6.025 10.114 -17.499 426 H CYS 64 H CYS 64 6.412 9.158 -12.324 427 HA CYS 64 HA CYS 64 4.575 6.957 -12.827 428 1HB CYS 64 2HB CYS 64 6.141 5.186 -12.324 429 2HB CYS 64 1HB CYS 64 6.949 6.149 -13.517 430 H GLU 65 H GLU 65 5.120 5.396 -10.538 431 HA GLU 65 HA GLU 65 6.144 7.231 -8.527 432 1HB GLU 65 1HB GLU 65 3.501 6.950 -8.524 433 2HB GLU 65 2HB GLU 65 3.843 5.390 -7.817 434 1HG GLU 65 2HG GLU 65 4.309 8.136 -6.628 435 2HG GLU 65 1HG GLU 65 3.583 6.716 -5.882 436 H CYS 66 H CYS 66 4.902 4.249 -9.102 437 HA CYS 66 HA CYS 66 5.591 3.136 -6.745 438 1HB CYS 66 1HB CYS 66 4.790 1.196 -8.875 439 2HB CYS 66 2HB CYS 66 3.982 1.719 -7.406 440 HA PRO 67 HA PRO 67 5.574 0.193 -6.709 441 1HB PRO 67 2HB PRO 67 7.175 -2.173 -7.337 442 2HB PRO 67 1HB PRO 67 5.442 -1.899 -7.627 443 1HG PRO 67 2HG PRO 67 7.534 -1.921 -9.602 444 2HG PRO 67 1HG PRO 67 5.839 -1.543 -9.840 445 1HD PRO 67 2HD PRO 67 8.043 0.347 -9.877 446 2HD PRO 67 1HD PRO 67 6.327 0.665 -10.126 447 H GLU 68 H GLU 68 6.260 -1.489 -5.026 448 HA GLU 68 HA GLU 68 8.197 -1.141 -3.255 449 1HB GLU 68 2HB GLU 68 8.684 -3.709 -3.447 450 2HB GLU 68 1HB GLU 68 7.096 -3.160 -2.974 451 1HG GLU 68 2HG GLU 68 7.561 -3.524 -5.930 452 2HG GLU 68 1HG GLU 68 7.456 -4.977 -4.947 453 H GLY 69 H GLY 69 9.056 -3.339 -5.431 454 1HA GLY 69 1HA GLY 69 11.083 -1.552 -6.739 455 2HA GLY 69 2HA GLY 69 11.086 -3.319 -7.029 456 H TYR 70 H TYR 70 8.476 -0.525 -8.244 457 HA TYR 70 HA TYR 70 10.010 0.145 -10.016 458 1HB TYR 70 2HB TYR 70 10.295 1.530 -8.011 459 2HB TYR 70 1HB TYR 70 11.352 0.347 -7.271 460 HD1 TYR 70 HD1 TYR 70 11.072 2.549 -10.341 461 HD2 TYR 70 HD2 TYR 70 13.699 0.506 -7.523 462 HE1 TYR 70 HE1 TYR 70 13.065 3.691 -11.371 463 HE2 TYR 70 HE2 TYR 70 15.692 1.649 -8.549 464 HH TYR 70 HH TYR 70 16.407 2.934 -10.328 465 H ILE 71 H ILE 71 12.395 -0.093 -11.010 466 HA ILE 71 HA ILE 71 12.202 -1.617 -12.765 467 HB ILE 71 HB ILE 71 13.768 -2.751 -10.452 468 1HG1 ILE 71 1HG1 ILE 71 14.790 -1.664 -13.084 469 2HG1 ILE 71 2HG1 ILE 71 14.456 -0.645 -11.703 470 1HG2 ILE 71 1HG2 ILE 71 14.920 -4.178 -12.408 471 2HG2 ILE 71 2HG2 ILE 71 13.311 -4.075 -13.123 472 3HG2 ILE 71 3HG2 ILE 71 13.525 -4.809 -11.533 473 1HD1 ILE 71 1HD1 ILE 71 16.105 -2.989 -10.961 474 2HD1 ILE 71 2HD1 ILE 71 16.393 -1.278 -10.643 475 3HD1 ILE 71 3HD1 ILE 71 16.876 -1.982 -12.187 476 H LEU 72 H LEU 72 9.735 -2.238 -10.556 477 HA LEU 72 HA LEU 72 8.024 -2.544 -12.105 478 1HB LEU 72 1HB LEU 72 8.880 -0.363 -12.339 479 2HB LEU 72 2HB LEU 72 10.288 -0.878 -13.205 480 HG LEU 72 HG LEU 72 8.214 -1.713 -14.888 481 1HD1 LEU 72 1HD1 LEU 72 6.874 0.534 -14.920 482 2HD1 LEU 72 2HD1 LEU 72 7.504 0.743 -13.295 483 3HD1 LEU 72 3HD1 LEU 72 6.473 -0.661 -13.666 484 1HD2 LEU 72 1HD2 LEU 72 10.343 0.080 -15.174 485 2HD2 LEU 72 2HD2 LEU 72 8.940 1.132 -15.275 486 3HD2 LEU 72 3HD2 LEU 72 9.082 -0.199 -16.404 487 H ASP 73 H ASP 73 7.196 -3.357 -14.009 488 HA ASP 73 HA ASP 73 8.407 -5.079 -15.739 489 1HB ASP 73 2HB ASP 73 9.500 -5.926 -13.493 490 2HB ASP 73 1HB ASP 73 7.919 -6.620 -13.150 491 H ASP 74 H ASP 74 6.552 -5.568 -13.181 492 HA ASP 74 HA ASP 74 4.694 -7.253 -14.228 493 1HB ASP 74 2HB ASP 74 5.067 -6.456 -11.685 494 2HB ASP 74 1HB ASP 74 3.547 -5.614 -11.972 495 H GLY 75 H GLY 75 4.656 -4.680 -15.858 496 1HA GLY 75 2HA GLY 75 2.022 -3.514 -15.478 497 2HA GLY 75 1HA GLY 75 3.269 -2.806 -14.438 498 H PHE 76 H PHE 76 4.750 -1.973 -15.179 499 HA PHE 76 HA PHE 76 5.292 0.258 -16.094 500 1HB PHE 76 2HB PHE 76 2.802 -0.231 -17.811 501 2HB PHE 76 1HB PHE 76 3.825 1.195 -17.844 502 HD1 PHE 76 HD1 PHE 76 6.584 -0.026 -17.754 503 HD2 PHE 76 HD2 PHE 76 3.012 -1.179 -19.973 504 HE1 PHE 76 HE1 PHE 76 8.027 -1.090 -19.521 505 HE2 PHE 76 HE2 PHE 76 4.452 -2.242 -21.743 506 HZ PHE 76 HZ PHE 76 6.961 -2.197 -21.517 507 H ILE 77 H ILE 77 4.391 -0.644 -13.863 508 HA ILE 77 HA ILE 77 1.905 -1.397 -14.093 509 HB ILE 77 HB ILE 77 2.739 -2.670 -12.529 510 1HG1 ILE 77 2HG1 ILE 77 1.716 -0.556 -10.676 511 2HG1 ILE 77 1HG1 ILE 77 0.813 -1.937 -11.307 512 1HG2 ILE 77 1HG2 ILE 77 4.453 -2.247 -11.063 513 2HG2 ILE 77 2HG2 ILE 77 4.116 -0.525 -10.946 514 3HG2 ILE 77 3HG2 ILE 77 4.884 -1.206 -12.406 515 1HD1 ILE 77 1HD1 ILE 77 3.074 -1.928 -9.260 516 2HD1 ILE 77 2HD1 ILE 77 2.689 -3.398 -10.155 517 3HD1 ILE 77 3HD1 ILE 77 1.473 -2.653 -9.115 518 H CYS 78 H CYS 78 0.013 -0.867 -12.571 519 HA CYS 78 HA CYS 78 -0.178 -0.016 -10.395 520 1HB CYS 78 2HB CYS 78 0.606 2.660 -11.524 521 2HB CYS 78 1HB CYS 78 0.415 2.310 -9.829 522 H THR 79 H THR 79 -2.777 -0.276 -11.663 523 HA THR 79 HA THR 79 -1.858 1.011 -13.958 524 HB THR 79 HB THR 79 -3.889 -0.809 -13.327 525 HG1 THR 79 HG1 THR 79 -3.976 -0.054 -15.864 526 1HG2 THR 79 1HG2 THR 79 -5.153 1.619 -14.693 527 2HG2 THR 79 2HG2 THR 79 -5.646 0.905 -13.158 528 3HG2 THR 79 3HG2 THR 79 -5.868 0.007 -14.660 529 H ASP 80 H ASP 80 -1.602 3.599 -12.943 530 HA ASP 80 HA ASP 80 -2.904 5.088 -14.586 531 1HB ASP 80 1HB ASP 80 -0.362 4.730 -14.444 532 2HB ASP 80 2HB ASP 80 -0.555 3.648 -15.840 533 H ILE 81 H ILE 81 -2.732 4.550 -17.550 534 HA ILE 81 HA ILE 81 -4.862 5.573 -16.366 535 HB ILE 81 HB ILE 81 -5.361 4.486 -19.138 536 1HG1 ILE 81 2HG1 ILE 81 -2.973 5.084 -19.126 537 2HG1 ILE 81 1HG1 ILE 81 -3.905 6.167 -20.133 538 1HG2 ILE 81 1HG2 ILE 81 -7.059 6.016 -18.162 539 2HG2 ILE 81 2HG2 ILE 81 -6.262 6.751 -19.547 540 3HG2 ILE 81 3HG2 ILE 81 -5.815 7.244 -17.914 541 1HD1 ILE 81 1HD1 ILE 81 -3.662 7.990 -18.653 542 2HD1 ILE 81 2HD1 ILE 81 -2.134 7.152 -18.388 543 3HD1 ILE 81 3HD1 ILE 81 -3.460 6.957 -17.242 544 H ASP 82 H ASP 82 -7.278 5.007 -16.080 545 HA ASP 82 HA ASP 82 -7.970 2.482 -17.316 546 1HB ASP 82 1HB ASP 82 -10.341 3.675 -17.409 547 2HB ASP 82 2HB ASP 82 -9.680 3.225 -15.844 548 H GLU 83 H GLU 83 -9.487 5.479 -18.390 549 HA GLU 83 HA GLU 83 -8.553 4.708 -21.097 550 1HB GLU 83 1HB GLU 83 -11.190 4.748 -20.116 551 2HB GLU 83 2HB GLU 83 -11.080 6.274 -20.960 552 1HG GLU 83 1HG GLU 83 -11.587 5.055 -22.838 553 2HG GLU 83 2HG GLU 83 -9.902 4.544 -22.801 554 H1 NAG 121 H1 ASN 21 -13.564 -1.195 11.452 555 H2 NAG 121 H2 ASN 21 -15.361 -1.240 9.534 556 H3 NAG 121 H3 ASN 21 -16.769 0.984 10.862 557 H4 NAG 121 H4 ASN 21 -17.443 -1.839 11.777 558 H5 NAG 121 H5 ASN 21 -16.608 0.223 13.761 559 1H6 NAG 121 1H6 ASN 21 -15.389 -2.102 14.493 560 2H6 NAG 121 2H6 ASN 21 -16.699 -2.759 13.511 561 1H8 NAG 121 1H8 ASN 21 -13.755 -1.450 8.376 562 2H8 NAG 121 2H8 ASN 21 -14.036 -0.003 7.385 563 3H8 NAG 121 3H8 ASN 21 -12.378 -0.542 7.734 564 HN2 NAG 121 HN2 ASN 21 -14.956 1.531 10.029 565 HO4 NAG 121 HO4 ASN 21 -19.106 -0.400 11.602 566 HO3 NAG 121 HO3 ASN 21 -18.250 -1.012 9.963 567 HO6 NAG 121 H6 ASN 21 -18.076 -2.118 14.895 568 H1 NAG 148 H1 ASN 48 -6.574 -2.006 -5.609 569 H2 NAG 148 H2 ASN 48 -6.824 -0.145 -3.467 570 H3 NAG 148 H3 ASN 48 -8.142 -1.528 -1.815 571 H4 NAG 148 H4 ASN 48 -9.978 -2.967 -2.985 572 H5 NAG 148 H5 ASN 48 -7.940 -3.771 -4.976 573 1H6 NAG 148 1H6 ASN 48 -10.318 -3.380 -6.324 574 2H6 NAG 148 2H6 ASN 48 -10.908 -3.676 -4.688 575 1H8 NAG 148 1H8 ASN 48 -5.086 -1.021 -1.165 576 2H8 NAG 148 2H8 ASN 48 -3.397 -0.963 -1.681 577 3H8 NAG 148 3H8 ASN 48 -4.514 0.326 -2.153 578 HN2 NAG 148 HN2 ASN 48 -6.202 -2.949 -2.929 579 HO4 NAG 148 HO4 ASN 48 -8.684 -4.020 -1.758 580 HO3 NAG 148 HO3 ASN 48 -10.159 -1.007 -3.330 581 HO6 NAG 148 H6 ASN 48 -9.841 -5.343 -6.466 Start of MODEL 9 1 1H HIS 1 1H HIS 1 -0.396 -4.897 26.641 2 2H HIS 1 2H HIS 1 -0.774 -3.419 27.386 3 3H HIS 1 3H HIS 1 -0.236 -3.445 25.775 4 HA HIS 1 HA HIS 1 1.297 -4.261 28.139 5 1HB HIS 1 1HB HIS 1 2.034 -4.066 25.185 6 2HB HIS 1 2HB HIS 1 3.236 -4.159 26.453 7 HD2 HIS 1 HD2 HIS 1 0.463 -6.272 27.582 8 HE1 HIS 1 HE1 HIS 1 2.887 -8.997 25.315 9 HE2 HIS 1 HE2 HIS 1 0.953 -8.844 27.007 10 H MET 2 H MET 2 2.019 -2.209 25.350 11 HA MET 2 HA MET 2 2.441 -0.029 27.313 12 1HB MET 2 1HB MET 2 4.279 -0.585 24.945 13 2HB MET 2 2HB MET 2 4.615 0.453 26.314 14 1HG MET 2 1HG MET 2 4.297 -1.808 27.715 15 2HG MET 2 2HG MET 2 4.649 -2.571 26.175 16 1HE MET 2 1HE MET 2 8.109 -1.803 25.247 17 2HE MET 2 2HE MET 2 6.444 -2.116 24.728 18 3HE MET 2 3HE MET 2 7.283 -3.282 25.765 19 H GLU 3 H GLU 3 0.103 -0.199 25.469 20 HA GLU 3 HA GLU 3 1.209 1.217 23.112 21 1HB GLU 3 2HB GLU 3 -0.688 -1.073 22.642 22 2HB GLU 3 1HB GLU 3 0.616 -0.496 21.617 23 1HG GLU 3 1HG GLU 3 0.948 -2.126 24.176 24 2HG GLU 3 2HG GLU 3 1.196 -2.705 22.537 25 HA PRO 4 HA PRO 4 -2.820 3.153 22.670 26 1HB PRO 4 1HB PRO 4 -2.762 3.076 19.814 27 2HB PRO 4 2HB PRO 4 -2.272 4.428 20.828 28 1HG PRO 4 1HG PRO 4 -0.586 2.549 19.331 29 2HG PRO 4 2HG PRO 4 -0.113 4.060 20.121 30 1HD PRO 4 1HD PRO 4 0.431 1.388 21.017 31 2HD PRO 4 2HD PRO 4 0.773 2.886 21.902 32 H VAL 5 H VAL 5 -2.787 0.429 23.132 33 HA VAL 5 HA VAL 5 -2.487 -0.960 20.819 34 HB VAL 5 HB VAL 5 -2.423 -1.604 23.451 35 1HG1 VAL 5 1HG1 VAL 5 -4.587 -3.532 22.717 36 2HG1 VAL 5 2HG1 VAL 5 -4.116 -2.900 24.295 37 3HG1 VAL 5 3HG1 VAL 5 -5.075 -1.907 23.199 38 1HG2 VAL 5 1HG2 VAL 5 -1.565 -2.832 21.181 39 2HG2 VAL 5 2HG2 VAL 5 -1.398 -3.545 22.787 40 3HG2 VAL 5 3HG2 VAL 5 -2.736 -4.027 21.745 41 H ASP 6 H ASP 6 -3.980 -3.060 20.572 42 HA ASP 6 HA ASP 6 -5.184 -2.004 18.492 43 1HB ASP 6 2HB ASP 6 -5.429 -4.208 17.741 44 2HB ASP 6 1HB ASP 6 -4.564 -4.564 19.197 45 HA PRO 7 HA PRO 7 -8.278 -3.602 17.573 46 1HB PRO 7 1HB PRO 7 -8.742 -1.763 15.431 47 2HB PRO 7 2HB PRO 7 -9.962 -2.456 16.491 48 1HG PRO 7 1HG PRO 7 -8.974 0.286 16.448 49 2HG PRO 7 2HG PRO 7 -10.277 -0.378 17.426 50 1HD PRO 7 1HD PRO 7 -7.573 0.306 18.286 51 2HD PRO 7 2HD PRO 7 -8.904 -0.306 19.283 52 H CYS 8 H CYS 8 -6.400 -0.780 16.568 53 HA CYS 8 HA CYS 8 -4.883 -2.410 14.669 54 1HB CYS 8 2HB CYS 8 -5.630 -0.479 13.667 55 2HB CYS 8 1HB CYS 8 -5.440 0.508 15.125 56 H PHE 9 H PHE 9 -4.488 -3.154 16.602 57 HA PHE 9 HA PHE 9 -3.211 -3.180 18.804 58 1HB PHE 9 2HB PHE 9 -2.934 -5.098 17.309 59 2HB PHE 9 1HB PHE 9 -1.609 -4.263 16.498 60 HD1 PHE 9 HD1 PHE 9 0.575 -4.985 17.195 61 HD2 PHE 9 HD2 PHE 9 -2.712 -5.078 20.054 62 HE1 PHE 9 HE1 PHE 9 2.098 -6.030 18.906 63 HE2 PHE 9 HE2 PHE 9 -1.191 -6.115 21.774 64 HZ PHE 9 HZ PHE 9 1.217 -6.587 21.200 65 H ARG 10 H ARG 10 -0.147 -3.162 18.313 66 HA ARG 10 HA ARG 10 0.003 -0.311 17.654 67 1HB ARG 10 2HB ARG 10 1.576 -1.981 19.220 68 2HB ARG 10 1HB ARG 10 2.638 -1.479 17.916 69 1HG ARG 10 1HG ARG 10 0.846 0.650 19.109 70 2HG ARG 10 2HG ARG 10 1.931 -0.063 20.191 71 1HD ARG 10 1HD ARG 10 3.733 0.434 18.163 72 2HD ARG 10 2HD ARG 10 2.561 1.731 17.859 73 HE ARG 10 HE ARG 10 3.237 1.650 20.628 74 1HH1 ARG 10 1HH1 ARG 10 3.709 4.625 19.445 75 2HH1 ARG 10 2HH1 ARG 10 4.083 4.045 17.857 76 1HH2 ARG 10 1HH2 ARG 10 6.190 1.805 19.011 77 2HH2 ARG 10 2HH2 ARG 10 6.217 2.996 20.269 78 H ALA 11 H ALA 11 -0.583 -2.694 15.876 79 HA ALA 11 HA ALA 11 0.143 -3.169 13.549 80 1HB ALA 11 1HB ALA 11 -2.087 -1.648 14.299 81 2HB ALA 11 2HB ALA 11 -1.346 -0.636 13.058 82 3HB ALA 11 3HB ALA 11 -1.824 -2.291 12.680 83 H ASN 12 H ASN 12 2.238 -2.897 12.896 84 HA ASN 12 HA ASN 12 2.344 -0.309 11.459 85 1HB ASN 12 1HB ASN 12 4.438 -1.623 12.771 86 2HB ASN 12 2HB ASN 12 4.654 -2.199 11.121 87 1HD2 ASN 12 1HD2 ASN 12 6.834 -0.390 10.924 88 2HD2 ASN 12 2HD2 ASN 12 6.502 0.323 12.491 89 H CYS 13 H CYS 13 0.308 -2.167 10.186 90 HA CYS 13 HA CYS 13 0.536 -1.217 7.875 91 1HB CYS 13 1HB CYS 13 0.040 0.775 10.161 92 2HB CYS 13 2HB CYS 13 -0.484 0.991 8.487 93 H GLU 14 H GLU 14 2.411 -1.143 6.912 94 HA GLU 14 HA GLU 14 4.511 0.582 7.131 95 1HB GLU 14 1HB GLU 14 4.357 -0.600 5.071 96 2HB GLU 14 2HB GLU 14 2.748 -0.003 4.751 97 1HG GLU 14 1HG GLU 14 3.520 1.993 3.833 98 2HG GLU 14 2HG GLU 14 4.878 2.101 4.947 99 H TYR 15 H TYR 15 1.886 1.869 5.055 100 HA TYR 15 HA TYR 15 1.723 4.321 6.474 101 1HB TYR 15 2HB TYR 15 0.610 3.482 4.190 102 2HB TYR 15 1HB TYR 15 -0.750 3.049 5.212 103 HD1 TYR 15 HD1 TYR 15 1.663 5.992 5.393 104 HD2 TYR 15 HD2 TYR 15 -2.438 4.658 4.735 105 HE1 TYR 15 HE1 TYR 15 0.908 8.383 5.242 106 HE2 TYR 15 HE2 TYR 15 -3.195 7.046 4.588 107 HH TYR 15 HH TYR 15 -2.465 9.287 5.237 108 H GLN 16 H GLN 16 -1.238 3.732 6.735 109 HA GLN 16 HA GLN 16 -0.932 2.730 9.539 110 1HB GLN 16 1HB GLN 16 -1.762 5.246 8.868 111 2HB GLN 16 2HB GLN 16 -3.322 4.446 9.021 112 1HG GLN 16 1HG GLN 16 -2.205 3.513 11.293 113 2HG GLN 16 2HG GLN 16 -1.211 4.955 11.130 114 1HE2 GLN 16 2HE2 GLN 16 -3.902 6.181 9.636 115 2HE2 GLN 16 1HE2 GLN 16 -3.646 7.315 10.949 116 H CYS 17 H CYS 17 -3.642 2.996 10.020 117 HA CYS 17 HA CYS 17 -4.137 0.156 9.340 118 1HB CYS 17 1HB CYS 17 -4.673 1.851 11.765 119 2HB CYS 17 2HB CYS 17 -5.703 0.454 11.524 120 H GLN 18 H GLN 18 -6.015 -0.394 7.991 121 HA GLN 18 HA GLN 18 -8.399 0.710 9.294 122 1HB GLN 18 2HB GLN 18 -8.164 -0.645 6.984 123 2HB GLN 18 1HB GLN 18 -8.332 -2.038 8.061 124 1HG GLN 18 1HG GLN 18 -10.551 -1.358 7.198 125 2HG GLN 18 2HG GLN 18 -10.474 -1.092 8.937 126 1HE2 GLN 18 1HE2 GLN 18 -9.007 0.846 6.291 127 2HE2 GLN 18 2HE2 GLN 18 -9.415 2.355 7.082 128 HA PRO 19 HA PRO 19 -8.796 -2.903 11.952 129 1HB PRO 19 1HB PRO 19 -11.322 -1.821 12.823 130 2HB PRO 19 2HB PRO 19 -9.893 -2.109 13.807 131 1HG PRO 19 1HG PRO 19 -10.949 0.441 12.978 132 2HG PRO 19 2HG PRO 19 -9.481 0.142 13.908 133 1HD PRO 19 1HD PRO 19 -9.713 0.898 11.071 134 2HD PRO 19 2HD PRO 19 -8.256 0.820 12.074 135 H LEU 20 H LEU 20 -9.571 -3.813 9.277 136 HA LEU 20 HA LEU 20 -9.678 -5.869 10.295 137 1HB LEU 20 1HB LEU 20 -9.425 -5.700 12.543 138 2HB LEU 20 2HB LEU 20 -10.202 -4.155 12.596 139 HG LEU 20 HG LEU 20 -11.767 -6.680 12.371 140 1HD1 LEU 20 1HD1 LEU 20 -11.890 -5.781 15.072 141 2HD1 LEU 20 2HD1 LEU 20 -11.177 -7.279 14.473 142 3HD1 LEU 20 3HD1 LEU 20 -10.180 -5.832 14.644 143 1HD2 LEU 20 1HD2 LEU 20 -12.451 -3.882 12.472 144 2HD2 LEU 20 2HD2 LEU 20 -13.535 -5.265 12.319 145 3HD2 LEU 20 3HD2 LEU 20 -13.094 -4.661 13.917 146 H ASN 21 H ASN 21 -12.198 -4.040 10.733 147 HA ASN 21 HA ASN 21 -14.422 -4.028 9.375 148 1HB ASN 21 1HB ASN 21 -12.312 -3.026 8.264 149 2HB ASN 21 2HB ASN 21 -12.214 -4.564 7.375 150 1HD2 ASN 21 HD2 ASN 21 -12.409 -2.846 5.633 151 H GLN 22 H GLN 22 -13.858 -5.669 6.623 152 HA GLN 22 HA GLN 22 -14.317 -8.343 7.438 153 1HB GLN 22 1HB GLN 22 -13.699 -7.032 5.033 154 2HB GLN 22 2HB GLN 22 -12.269 -7.999 5.309 155 1HG GLN 22 1HG GLN 22 -13.829 -9.336 3.982 156 2HG GLN 22 2HG GLN 22 -13.766 -10.042 5.594 157 1HE2 GLN 22 2HE2 GLN 22 -15.938 -10.899 4.647 158 2HE2 GLN 22 1HE2 GLN 22 -17.052 -10.214 5.816 159 H THR 23 H THR 23 -11.444 -6.237 7.762 160 HA THR 23 HA THR 23 -9.987 -8.365 6.540 161 HB THR 23 HB THR 23 -8.538 -6.123 7.955 162 HG1 THR 23 HG1 THR 23 -10.071 -5.792 5.641 163 1HG2 THR 23 1HG2 THR 23 -8.036 -7.874 5.626 164 2HG2 THR 23 2HG2 THR 23 -7.766 -6.173 5.247 165 3HG2 THR 23 3HG2 THR 23 -6.887 -6.932 6.576 166 H SER 24 H SER 24 -10.587 -7.602 9.580 167 HA SER 24 HA SER 24 -9.588 -7.407 11.553 168 1HB SER 24 1HB SER 24 -8.726 -9.330 12.639 169 2HB SER 24 2HB SER 24 -9.946 -9.874 11.494 170 HG SER 24 HG SER 24 -8.501 -11.007 10.605 171 H TYR 25 H TYR 25 -7.807 -6.675 12.478 172 HA TYR 25 HA TYR 25 -8.060 -4.788 10.615 173 1HB TYR 25 2HB TYR 25 -6.815 -3.183 12.136 174 2HB TYR 25 1HB TYR 25 -7.787 -4.316 13.069 175 HD1 TYR 25 HD1 TYR 25 -6.749 -6.243 14.290 176 HD2 TYR 25 HD2 TYR 25 -4.342 -3.308 12.141 177 HE1 TYR 25 HE1 TYR 25 -4.694 -7.043 15.502 178 HE2 TYR 25 HE2 TYR 25 -2.285 -4.112 13.350 179 HH TYR 25 HH TYR 25 -1.588 -6.405 14.547 180 H LEU 26 H LEU 26 -7.068 -3.509 9.485 181 HA LEU 26 HA LEU 26 -4.992 -4.953 8.028 182 1HB LEU 26 2HB LEU 26 -6.516 -4.985 6.359 183 2HB LEU 26 1HB LEU 26 -7.655 -4.394 7.570 184 HG LEU 26 HG LEU 26 -6.746 -2.034 6.853 185 1HD1 LEU 26 1HD2 LEU 26 -6.627 -2.895 4.066 186 2HD1 LEU 26 2HD2 LEU 26 -5.476 -1.910 4.969 187 3HD1 LEU 26 3HD2 LEU 26 -5.341 -3.667 4.994 188 1HD2 LEU 26 1HD1 LEU 26 -9.101 -3.106 6.568 189 2HD2 LEU 26 2HD1 LEU 26 -8.688 -1.800 5.452 190 3HD2 LEU 26 3HD1 LEU 26 -8.603 -3.475 4.921 191 H CYS 27 H CYS 27 -4.158 -3.357 6.043 192 HA CYS 27 HA CYS 27 -3.409 -0.863 7.447 193 1HB CYS 27 1HB CYS 27 -1.448 -2.834 6.254 194 2HB CYS 27 2HB CYS 27 -1.018 -1.156 6.628 195 H VAL 28 H VAL 28 -2.725 0.907 6.099 196 HA VAL 28 HA VAL 28 -5.235 0.730 4.731 197 HB VAL 28 HB VAL 28 -3.392 3.042 5.374 198 1HG1 VAL 28 1HG2 VAL 28 -4.760 4.174 3.927 199 2HG1 VAL 28 2HG2 VAL 28 -6.066 2.999 4.082 200 3HG1 VAL 28 3HG2 VAL 28 -5.856 4.251 5.314 201 1HG2 VAL 28 1HG1 VAL 28 -4.314 3.285 7.477 202 2HG2 VAL 28 2HG1 VAL 28 -5.889 2.665 7.004 203 3HG2 VAL 28 3HG1 VAL 28 -4.563 1.536 7.251 204 H CYS 29 H CYS 29 -2.262 0.793 3.611 205 HA CYS 29 HA CYS 29 -1.586 3.247 3.017 206 1HB CYS 29 1HB CYS 29 -0.957 0.712 1.537 207 2HB CYS 29 2HB CYS 29 -0.040 2.143 1.093 208 H ALA 30 H ALA 30 -0.760 3.743 1.084 209 HA ALA 30 HA ALA 30 -2.725 5.575 0.669 210 1HB ALA 30 1HB ALA 30 -0.022 5.364 -0.647 211 2HB ALA 30 2HB ALA 30 -1.119 6.600 -1.264 212 3HB ALA 30 3HB ALA 30 -0.645 6.609 0.435 213 H GLU 31 H GLU 31 -4.698 4.850 -0.408 214 HA GLU 31 HA GLU 31 -4.475 2.392 -1.280 215 1HB GLU 31 2HB GLU 31 -6.546 4.030 -0.900 216 2HB GLU 31 1HB GLU 31 -6.576 4.059 -2.646 217 1HG GLU 31 1HG GLU 31 -6.385 1.368 -2.289 218 2HG GLU 31 2HG GLU 31 -7.147 1.787 -0.755 219 H GLY 32 H GLY 32 -4.987 1.297 -3.396 220 1HA GLY 32 1HA GLY 32 -3.335 0.388 -4.678 221 2HA GLY 32 2HA GLY 32 -3.446 1.915 -5.613 222 H PHE 33 H PHE 33 -2.384 1.870 -2.174 223 HA PHE 33 HA PHE 33 -0.459 -0.025 -3.297 224 1HB PHE 33 2HB PHE 33 0.179 1.292 -0.689 225 2HB PHE 33 1HB PHE 33 1.167 0.250 -1.758 226 HD1 PHE 33 HD1 PHE 33 2.918 1.248 -2.847 227 HD2 PHE 33 HD2 PHE 33 -0.655 3.579 -1.990 228 HE1 PHE 33 HE1 PHE 33 4.079 3.321 -3.678 229 HE2 PHE 33 HE2 PHE 33 0.464 5.644 -2.920 230 HZ PHE 33 HZ PHE 33 2.839 5.507 -3.760 231 H ALA 34 H ALA 34 -1.559 -1.875 -2.912 232 HA ALA 34 HA ALA 34 -2.609 -2.250 -0.231 233 1HB ALA 34 1HB ALA 34 -4.587 -1.153 -0.529 234 2HB ALA 34 2HB ALA 34 -4.360 -1.058 -2.278 235 3HB ALA 34 3HB ALA 34 -5.061 -2.511 -1.547 236 HA PRO 35 HA PRO 35 -0.466 -3.923 -0.389 237 1HB PRO 35 1HB PRO 35 -0.411 -6.744 0.354 238 2HB PRO 35 2HB PRO 35 -0.217 -5.352 1.401 239 1HG PRO 35 1HG PRO 35 -2.529 -7.084 1.161 240 2HG PRO 35 2HG PRO 35 -2.326 -5.713 2.244 241 1HD PRO 35 1HD PRO 35 -4.003 -5.829 -0.118 242 2HD PRO 35 2HD PRO 35 -3.727 -4.433 0.931 243 H ILE 36 H ILE 36 1.259 -4.337 -1.730 244 HA ILE 36 HA ILE 36 1.820 -6.138 -3.589 245 HB ILE 36 HB ILE 36 3.467 -4.919 -2.380 246 1HG1 ILE 36 1HG1 ILE 36 3.971 -7.543 -3.174 247 2HG1 ILE 36 2HG1 ILE 36 5.074 -6.216 -2.999 248 1HG2 ILE 36 1HG2 ILE 36 4.211 -5.537 -0.074 249 2HG2 ILE 36 2HG2 ILE 36 2.575 -4.875 -0.182 250 3HG2 ILE 36 3HG2 ILE 36 2.811 -6.599 0.045 251 1HD1 ILE 36 1HD1 ILE 36 5.458 -8.474 -1.667 252 2HD1 ILE 36 2HD1 ILE 36 5.819 -6.918 -0.897 253 3HD1 ILE 36 3HD1 ILE 36 4.321 -7.766 -0.525 254 HA PRO 37 HA PRO 37 1.611 -10.619 -2.090 255 1HB PRO 37 2HB PRO 37 4.516 -10.042 -2.536 256 2HB PRO 37 1HB PRO 37 3.580 -11.448 -3.019 257 1HG PRO 37 1HG PRO 37 4.267 -9.262 -4.710 258 2HG PRO 37 2HG PRO 37 3.068 -10.496 -5.077 259 1HD PRO 37 1HD PRO 37 2.552 -7.709 -4.551 260 2HD PRO 37 2HD PRO 37 1.342 -8.983 -4.768 261 H HIS 38 H HIS 38 4.506 -10.765 -0.711 262 HA HIS 38 HA HIS 38 2.979 -11.904 1.135 263 1HB HIS 38 1HB HIS 38 4.824 -11.554 2.863 264 2HB HIS 38 2HB HIS 38 5.242 -12.382 1.350 265 HD1 HIS 38 HD1 HIS 38 7.871 -11.541 1.874 266 HD2 HIS 38 HD2 HIS 38 4.931 -8.591 1.172 267 HE1 HIS 38 HE1 HIS 38 9.145 -9.396 1.271 268 H GLU 39 H GLU 39 4.478 -9.756 2.953 269 HA GLU 39 HA GLU 39 2.818 -10.419 4.844 270 1HB GLU 39 2HB GLU 39 3.802 -7.540 4.876 271 2HB GLU 39 1HB GLU 39 3.365 -8.487 6.309 272 1HG GLU 39 1HG GLU 39 5.529 -9.442 4.412 273 2HG GLU 39 2HG GLU 39 5.901 -8.313 5.711 274 HA PRO 40 HA PRO 40 -1.139 -8.272 4.400 275 1HB PRO 40 1HB PRO 40 -1.933 -9.200 7.011 276 2HB PRO 40 2HB PRO 40 -2.452 -9.845 5.459 277 1HG PRO 40 1HG PRO 40 -0.620 -11.054 7.370 278 2HG PRO 40 2HG PRO 40 -1.207 -11.738 5.859 279 1HD PRO 40 1HD PRO 40 1.436 -10.643 6.403 280 2HD PRO 40 2HD PRO 40 0.855 -11.353 4.889 281 H HIS 41 H HIS 41 1.252 -6.731 5.413 282 HA HIS 41 HA HIS 41 -1.138 -5.071 5.913 283 1HB HIS 41 1HB HIS 41 0.525 -3.179 6.539 284 2HB HIS 41 2HB HIS 41 0.409 -4.539 7.658 285 HD1 HIS 41 HD1 HIS 41 2.396 -6.661 6.831 286 HD2 HIS 41 HD2 HIS 41 3.011 -2.526 6.180 287 HE1 HIS 41 HE1 HIS 41 4.939 -6.332 6.624 288 H ARG 42 H ARG 42 1.146 -5.862 3.861 289 HA ARG 42 HA ARG 42 2.378 -3.425 3.792 290 1HB ARG 42 1HB ARG 42 2.676 -5.679 1.815 291 2HB ARG 42 2HB ARG 42 3.464 -4.162 1.440 292 1HG ARG 42 2HG ARG 42 4.989 -4.299 3.125 293 2HG ARG 42 1HG ARG 42 3.846 -5.088 4.221 294 1HD ARG 42 2HD ARG 42 5.312 -6.913 3.735 295 2HD ARG 42 1HD ARG 42 4.178 -7.113 2.387 296 HE ARG 42 HE ARG 42 5.804 -6.262 0.933 297 1HH1 ARG 42 1HH2 ARG 42 7.405 -7.703 3.436 298 2HH1 ARG 42 2HH2 ARG 42 8.398 -6.392 3.980 299 1HH2 ARG 42 2HH1 ARG 42 7.451 -4.207 1.446 300 2HH2 ARG 42 1HH1 ARG 42 8.898 -4.927 2.069 301 H CYS 43 H CYS 43 2.639 -1.685 2.360 302 HA CYS 43 HA CYS 43 1.183 -1.902 -0.158 303 1HB CYS 43 2HB CYS 43 2.071 0.661 -0.099 304 2HB CYS 43 1HB CYS 43 0.658 0.006 0.716 305 H GLN 44 H GLN 44 2.185 -2.461 -1.970 306 HA GLN 44 HA GLN 44 4.613 -1.038 -2.618 307 1HB GLN 44 2HB GLN 44 4.841 -3.714 -1.586 308 2HB GLN 44 1HB GLN 44 5.142 -3.821 -3.308 309 1HG GLN 44 1HG GLN 44 6.677 -1.617 -2.690 310 2HG GLN 44 2HG GLN 44 6.787 -2.519 -1.180 311 1HE2 GLN 44 1HE2 GLN 44 7.555 -4.999 -1.449 312 2HE2 GLN 44 2HE2 GLN 44 7.314 -5.564 -3.091 313 H MET 45 H MET 45 3.878 -0.327 -4.883 314 HA MET 45 HA MET 45 1.545 0.239 -4.428 315 1HB MET 45 1HB MET 45 1.566 -1.614 -6.857 316 2HB MET 45 2HB MET 45 0.500 -0.254 -6.574 317 1HG MET 45 1HG MET 45 3.210 0.752 -6.525 318 2HG MET 45 2HG MET 45 3.028 -0.305 -7.918 319 1HE MET 45 1HE MET 45 2.488 1.938 -10.282 320 2HE MET 45 2HE MET 45 3.032 3.178 -9.136 321 3HE MET 45 3HE MET 45 3.771 1.593 -9.131 322 H PHE 46 H PHE 46 -1.043 -1.021 -4.710 323 HA PHE 46 HA PHE 46 0.047 -3.662 -5.545 324 1HB PHE 46 1HB PHE 46 -1.491 -3.790 -3.618 325 2HB PHE 46 2HB PHE 46 -2.725 -2.949 -4.535 326 HD1 PHE 46 HD1 PHE 46 -4.430 -4.230 -5.502 327 HD2 PHE 46 HD2 PHE 46 -0.478 -5.991 -4.948 328 HE1 PHE 46 HE1 PHE 46 -5.289 -6.428 -6.376 329 HE2 PHE 46 HE2 PHE 46 -1.338 -8.192 -5.816 330 HZ PHE 46 HZ PHE 46 -3.740 -8.407 -6.542 331 H CYS 47 H CYS 47 0.378 -2.221 -7.742 332 HA CYS 47 HA CYS 47 -0.593 -0.022 -8.208 333 1HB CYS 47 2HB CYS 47 -0.020 -1.950 -10.085 334 2HB CYS 47 1HB CYS 47 -1.654 -1.541 -10.548 335 H ASN 48 H ASN 48 -2.983 -2.296 -9.551 336 HA ASN 48 HA ASN 48 -5.249 -2.376 -9.344 337 1HB ASN 48 2HB ASN 48 -4.326 -2.248 -6.749 338 2HB ASN 48 1HB ASN 48 -5.321 -0.796 -6.780 339 1HD2 ASN 48 HD2 ASN 48 -7.466 -0.939 -6.611 340 H GLN 49 H GLN 49 -7.176 -0.672 -8.334 341 HA GLN 49 HA GLN 49 -8.530 0.564 -9.708 342 1HB GLN 49 2HB GLN 49 -6.798 2.244 -8.444 343 2HB GLN 49 1HB GLN 49 -6.326 2.594 -10.090 344 1HG GLN 49 2HG GLN 49 -8.033 4.164 -9.870 345 2HG GLN 49 1HG GLN 49 -9.003 2.807 -10.433 346 1HE2 GLN 49 1HE2 GLN 49 -7.947 3.804 -6.810 347 2HE2 GLN 49 2HE2 GLN 49 -9.078 5.001 -7.413 348 H THR 50 H THR 50 -9.074 0.808 -11.951 349 HA THR 50 HA THR 50 -6.792 1.074 -13.747 350 HB THR 50 HB THR 50 -9.009 2.188 -15.065 351 HG1 THR 50 HG1 THR 50 -10.006 1.363 -13.007 352 1HG2 THR 50 1HG2 THR 50 -8.312 0.534 -16.476 353 2HG2 THR 50 2HG2 THR 50 -9.180 -0.628 -15.475 354 3HG2 THR 50 3HG2 THR 50 -7.477 -0.293 -15.160 355 H ALA 51 H ALA 51 -7.360 4.265 -14.901 356 HA ALA 51 HA ALA 51 -5.763 2.186 -15.281 357 1HB ALA 51 1HB ALA 51 -4.082 4.638 -15.022 358 2HB ALA 51 2HB ALA 51 -5.551 4.873 -15.966 359 3HB ALA 51 3HB ALA 51 -4.388 3.635 -16.443 360 H CYS 52 H CYS 52 -3.103 1.878 -14.388 361 HA CYS 52 HA CYS 52 -2.959 3.767 -12.169 362 1HB CYS 52 2HB CYS 52 -0.748 2.159 -13.469 363 2HB CYS 52 1HB CYS 52 -0.576 3.107 -12.008 364 HA PRO 53 HA PRO 53 0.578 3.576 -14.524 365 1HB PRO 53 2HB PRO 53 0.959 4.957 -17.052 366 2HB PRO 53 1HB PRO 53 1.067 3.232 -16.743 367 1HG PRO 53 2HG PRO 53 -1.079 4.673 -18.077 368 2HG PRO 53 1HG PRO 53 -0.944 2.937 -17.844 369 1HD PRO 53 2HD PRO 53 -2.737 4.741 -16.489 370 2HD PRO 53 1HD PRO 53 -2.519 3.012 -16.150 371 H ALA 54 H ALA 54 2.542 4.874 -14.872 372 HA ALA 54 HA ALA 54 2.847 7.176 -13.621 373 1HB ALA 54 1HB ALA 54 4.954 7.220 -14.589 374 2HB ALA 54 2HB ALA 54 4.313 7.151 -16.231 375 3HB ALA 54 3HB ALA 54 4.436 5.676 -15.272 376 H ASP 55 H ASP 55 3.978 8.892 -15.860 377 HA ASP 55 HA ASP 55 3.627 11.068 -15.328 378 1HB ASP 55 2HB ASP 55 3.012 11.138 -17.609 379 2HB ASP 55 1HB ASP 55 1.597 10.145 -17.347 380 H CYS 56 H CYS 56 2.448 9.219 -13.245 381 HA CYS 56 HA CYS 56 0.771 10.492 -11.771 382 1HB CYS 56 2HB CYS 56 3.471 10.570 -10.665 383 2HB CYS 56 1HB CYS 56 2.055 9.612 -10.172 384 H ASP 57 H ASP 57 1.215 12.494 -10.060 385 HA ASP 57 HA ASP 57 2.959 14.438 -10.903 386 1HB ASP 57 2HB ASP 57 2.190 15.278 -8.817 387 2HB ASP 57 1HB ASP 57 0.899 14.205 -9.248 388 HA PRO 58 HA PRO 58 6.766 13.135 -8.764 389 1HB PRO 58 2HB PRO 58 7.227 15.935 -8.137 390 2HB PRO 58 1HB PRO 58 8.111 14.919 -9.268 391 1HG PRO 58 2HG PRO 58 6.242 17.029 -9.907 392 2HG PRO 58 1HG PRO 58 7.108 15.993 -11.034 393 1HD PRO 58 2HD PRO 58 4.280 15.883 -10.334 394 2HD PRO 58 1HD PRO 58 5.143 14.880 -11.511 395 H ASN 59 H ASN 59 4.509 15.733 -7.501 396 HA ASN 59 HA ASN 59 6.370 15.526 -5.269 397 1HB ASN 59 1HB ASN 59 6.305 17.755 -6.292 398 2HB ASN 59 2HB ASN 59 4.531 17.790 -6.216 399 1HD2 ASN 59 1HD2 ASN 59 3.516 17.705 -4.159 400 2HD2 ASN 59 2HD2 ASN 59 4.175 18.752 -2.915 401 H THR 60 H THR 60 3.289 15.098 -5.952 402 HA THR 60 HA THR 60 2.272 16.095 -3.377 403 HB THR 60 HB THR 60 0.340 16.750 -4.409 404 HG1 THR 60 HG1 THR 60 -0.841 15.282 -5.648 405 1HG2 THR 60 1HG2 THR 60 1.392 15.629 -7.034 406 2HG2 THR 60 2HG2 THR 60 2.103 17.071 -6.304 407 3HG2 THR 60 3HG2 THR 60 0.403 17.067 -6.782 408 H GLN 61 H GLN 61 1.679 13.594 -5.325 409 HA GLN 61 HA GLN 61 1.288 11.665 -3.061 410 1HB GLN 61 2HB GLN 61 -0.149 11.521 -5.303 411 2HB GLN 61 1HB GLN 61 1.257 10.726 -5.959 412 1HG GLN 61 2HG GLN 61 1.019 8.832 -4.595 413 2HG GLN 61 1HG GLN 61 0.209 9.720 -3.310 414 1HE2 GLN 61 1HE2 GLN 61 -0.616 7.295 -5.557 415 2HE2 GLN 61 2HE2 GLN 61 -1.264 8.350 -6.800 416 H ALA 62 H ALA 62 2.775 9.801 -2.786 417 HA ALA 62 HA ALA 62 5.158 9.266 -3.783 418 1HB ALA 62 1HB ALA 62 3.574 7.641 -2.687 419 2HB ALA 62 2HB ALA 62 4.455 6.929 -4.041 420 3HB ALA 62 3HB ALA 62 2.775 7.433 -4.245 421 H SER 63 H SER 63 3.755 7.415 -5.875 422 HA SER 63 HA SER 63 1.844 8.088 -7.184 423 1HB SER 63 2HB SER 63 2.902 10.661 -7.071 424 2HB SER 63 1HB SER 63 3.282 10.217 -8.722 425 HG SER 63 HG SER 63 1.096 9.680 -8.965 426 H CYS 64 H CYS 64 4.913 8.161 -8.151 427 HA CYS 64 HA CYS 64 4.303 6.259 -10.385 428 1HB CYS 64 2HB CYS 64 7.008 7.678 -10.115 429 2HB CYS 64 1HB CYS 64 6.508 6.670 -11.449 430 H GLU 65 H GLU 65 4.266 4.157 -8.741 431 HA GLU 65 HA GLU 65 4.822 5.602 -6.491 432 1HB GLU 65 2HB GLU 65 3.898 2.833 -7.313 433 2HB GLU 65 1HB GLU 65 4.014 3.251 -5.665 434 1HG GLU 65 2HG GLU 65 2.540 5.367 -6.298 435 2HG GLU 65 1HG GLU 65 2.173 4.463 -7.761 436 H CYS 66 H CYS 66 5.609 2.556 -7.523 437 HA CYS 66 HA CYS 66 7.569 1.825 -5.836 438 1HB CYS 66 1HB CYS 66 7.453 0.808 -8.703 439 2HB CYS 66 2HB CYS 66 7.527 -0.065 -7.180 440 HA PRO 67 HA PRO 67 9.559 0.388 -6.401 441 1HB PRO 67 1HB PRO 67 11.350 -0.858 -8.316 442 2HB PRO 67 2HB PRO 67 9.740 -1.412 -7.813 443 1HG PRO 67 2HG PRO 67 10.336 -0.395 -10.393 444 2HG PRO 67 1HG PRO 67 8.730 -0.555 -9.704 445 1HD PRO 67 2HD PRO 67 10.438 1.918 -9.923 446 2HD PRO 67 1HD PRO 67 8.672 1.792 -9.920 447 H GLU 68 H GLU 68 11.684 -0.515 -5.482 448 HA GLU 68 HA GLU 68 13.827 1.027 -5.202 449 1HB GLU 68 2HB GLU 68 14.300 -1.866 -5.985 450 2HB GLU 68 1HB GLU 68 15.147 -0.922 -4.783 451 1HG GLU 68 2HG GLU 68 13.126 -0.885 -3.333 452 2HG GLU 68 1HG GLU 68 12.207 -1.750 -4.561 453 H GLY 69 H GLY 69 14.155 2.421 -7.094 454 1HA GLY 69 2HA GLY 69 14.818 2.786 -9.328 455 2HA GLY 69 1HA GLY 69 14.943 1.016 -9.558 456 H TYR 70 H TYR 70 11.542 0.427 -9.379 457 HA TYR 70 HA TYR 70 13.946 -0.707 -9.586 458 1HB TYR 70 2HB TYR 70 11.636 -1.851 -10.013 459 2HB TYR 70 1HB TYR 70 11.945 -1.565 -11.710 460 HD1 TYR 70 HD1 TYR 70 15.193 -2.034 -10.350 461 HD2 TYR 70 HD2 TYR 70 11.534 -4.233 -11.281 462 HE1 TYR 70 HE1 TYR 70 16.494 -4.166 -10.413 463 HE2 TYR 70 HE2 TYR 70 12.854 -6.374 -11.363 464 HH TYR 70 HH TYR 70 15.446 -6.967 -11.807 465 H ILE 71 H ILE 71 14.341 -1.863 -12.339 466 HA ILE 71 HA ILE 71 14.405 0.608 -13.963 467 HB ILE 71 HB ILE 71 15.332 -2.127 -14.877 468 1HG1 ILE 71 1HG1 ILE 71 16.595 -1.840 -12.889 469 2HG1 ILE 71 2HG1 ILE 71 17.654 -1.393 -14.205 470 1HG2 ILE 71 1HG2 ILE 71 15.156 -0.558 -16.690 471 2HG2 ILE 71 2HG2 ILE 71 16.874 -0.666 -16.303 472 3HG2 ILE 71 3HG2 ILE 71 15.931 0.723 -15.759 473 1HD1 ILE 71 1HD1 ILE 71 16.817 0.230 -11.947 474 2HD1 ILE 71 2HD1 ILE 71 16.285 1.014 -13.436 475 3HD1 ILE 71 3HD1 ILE 71 17.991 0.630 -13.202 476 H LEU 72 H LEU 72 11.823 -1.720 -13.350 477 HA LEU 72 HA LEU 72 10.110 -0.186 -13.589 478 1HB LEU 72 2HB LEU 72 11.639 0.967 -12.061 479 2HB LEU 72 1HB LEU 72 12.711 1.432 -13.341 480 HG LEU 72 HG LEU 72 10.642 2.777 -14.269 481 1HD1 LEU 72 1HD1 LEU 72 9.830 3.420 -11.625 482 2HD1 LEU 72 2HD1 LEU 72 9.772 1.656 -11.781 483 3HD1 LEU 72 3HD1 LEU 72 8.875 2.646 -12.929 484 1HD2 LEU 72 1HD2 LEU 72 11.644 4.662 -13.498 485 2HD2 LEU 72 2HD2 LEU 72 12.939 3.522 -13.127 486 3HD2 LEU 72 3HD2 LEU 72 11.825 4.043 -11.855 487 H ASP 73 H ASP 73 8.962 1.342 -14.765 488 HA ASP 73 HA ASP 73 9.944 1.810 -17.391 489 1HB ASP 73 2HB ASP 73 9.586 -0.227 -18.335 490 2HB ASP 73 1HB ASP 73 9.099 -0.843 -16.767 491 H ASP 74 H ASP 74 9.171 3.501 -17.717 492 HA ASP 74 HA ASP 74 7.758 5.355 -17.988 493 1HB ASP 74 2HB ASP 74 6.321 2.820 -18.854 494 2HB ASP 74 1HB ASP 74 5.337 4.278 -18.760 495 H GLY 75 H GLY 75 6.056 6.633 -15.788 496 1HA GLY 75 2HA GLY 75 8.752 5.495 -16.275 497 2HA GLY 75 1HA GLY 75 8.237 7.196 -16.462 498 H PHE 76 H PHE 76 6.990 5.887 -13.836 499 HA PHE 76 HA PHE 76 9.459 5.040 -12.741 500 1HB PHE 76 2HB PHE 76 8.352 7.492 -11.568 501 2HB PHE 76 1HB PHE 76 8.456 6.249 -10.332 502 HD1 PHE 76 HD1 PHE 76 10.309 8.579 -12.475 503 HD2 PHE 76 HD2 PHE 76 10.693 5.132 -9.831 504 HE1 PHE 76 HE1 PHE 76 12.778 9.019 -12.262 505 HE2 PHE 76 HE2 PHE 76 13.165 5.563 -9.625 506 HZ PHE 76 HZ PHE 76 14.208 7.506 -10.842 507 H ILE 77 H ILE 77 7.003 4.035 -13.639 508 HA ILE 77 HA ILE 77 5.058 4.369 -11.906 509 HB ILE 77 HB ILE 77 4.753 4.107 -14.086 510 1HG1 ILE 77 1HG1 ILE 77 2.686 3.571 -13.892 511 2HG1 ILE 77 2HG1 ILE 77 2.917 1.977 -13.184 512 1HG2 ILE 77 1HG2 ILE 77 4.771 1.988 -15.334 513 2HG2 ILE 77 2HG2 ILE 77 5.344 1.128 -13.894 514 3HG2 ILE 77 3HG2 ILE 77 6.343 2.359 -14.641 515 1HD1 ILE 77 1HD1 ILE 77 1.830 3.350 -11.517 516 2HD1 ILE 77 2HD1 ILE 77 2.757 4.775 -11.966 517 3HD1 ILE 77 3HD1 ILE 77 3.512 3.509 -11.023 518 H CYS 78 H CYS 78 3.579 1.783 -11.445 519 HA CYS 78 HA CYS 78 5.802 -0.183 -11.457 520 1HB CYS 78 2HB CYS 78 3.242 -0.153 -9.884 521 2HB CYS 78 1HB CYS 78 3.608 -1.663 -10.653 522 H THR 79 H THR 79 2.273 -0.226 -11.901 523 HA THR 79 HA THR 79 2.326 -0.289 -14.707 524 HB THR 79 HB THR 79 3.382 -2.622 -13.870 525 HG1 THR 79 HG1 THR 79 1.652 -3.145 -15.830 526 1HG2 THR 79 1HG2 THR 79 1.223 -3.168 -12.547 527 2HG2 THR 79 2HG2 THR 79 1.773 -4.418 -13.662 528 3HG2 THR 79 3HG2 THR 79 0.428 -3.368 -14.108 529 H ASP 80 H ASP 80 0.154 1.091 -14.339 530 HA ASP 80 HA ASP 80 -2.028 -0.082 -14.964 531 1HB ASP 80 2HB ASP 80 -1.823 0.637 -17.260 532 2HB ASP 80 1HB ASP 80 -0.685 1.650 -16.356 533 H ILE 81 H ILE 81 -2.530 -2.660 -14.921 534 HA ILE 81 HA ILE 81 -3.405 -3.600 -16.855 535 HB ILE 81 HB ILE 81 -3.187 -0.718 -17.789 536 1HG1 ILE 81 2HG1 ILE 81 -3.836 -0.815 -15.360 537 2HG1 ILE 81 1HG1 ILE 81 -5.053 -0.120 -16.398 538 1HG2 ILE 81 1HG2 ILE 81 -5.800 -1.778 -18.163 539 2HG2 ILE 81 2HG2 ILE 81 -4.685 -3.044 -18.680 540 3HG2 ILE 81 3HG2 ILE 81 -4.595 -1.438 -19.406 541 1HD1 ILE 81 1HD1 ILE 81 -5.567 -2.126 -14.578 542 2HD1 ILE 81 2HD1 ILE 81 -5.300 -3.079 -16.037 543 3HD1 ILE 81 3HD1 ILE 81 -6.552 -1.839 -16.014 544 H ASP 82 H ASP 82 -3.114 -2.089 -19.466 545 HA ASP 82 HA ASP 82 -1.356 -4.195 -20.354 546 1HB ASP 82 2HB ASP 82 -3.078 -2.103 -21.751 547 2HB ASP 82 1HB ASP 82 -1.929 -3.039 -22.700 548 H GLU 83 H GLU 83 0.886 -1.978 -19.173 549 HA GLU 83 HA GLU 83 0.562 -4.670 -20.107 550 1HB GLU 83 1HB GLU 83 2.699 -2.898 -21.309 551 2HB GLU 83 2HB GLU 83 3.129 -4.560 -20.983 552 1HG GLU 83 1HG GLU 83 0.626 -4.804 -22.240 553 2HG GLU 83 2HG GLU 83 1.383 -3.470 -23.104 554 H1 NAG 121 H1 ASN 21 -15.247 -2.624 4.947 555 H2 NAG 121 H2 ASN 21 -13.388 -0.227 5.372 556 H3 NAG 121 H3 ASN 21 -16.235 -0.046 4.334 557 H4 NAG 121 H4 ASN 21 -13.783 0.235 2.566 558 H5 NAG 121 H5 ASN 21 -15.646 -2.171 2.743 559 1H6 NAG 121 1H6 ASN 21 -14.308 -1.273 0.502 560 2H6 NAG 121 2H6 ASN 21 -14.668 -2.972 0.812 561 1H8 NAG 121 1H8 ASN 21 -12.619 -1.240 7.395 562 2H8 NAG 121 2H8 ASN 21 -12.732 -0.348 8.924 563 3H8 NAG 121 3H8 ASN 21 -13.792 -1.739 8.633 564 HN2 NAG 121 HN2 ASN 21 -15.968 -0.861 6.676 565 HO4 NAG 121 HO4 ASN 21 -16.475 -0.179 1.965 566 HO3 NAG 121 HO3 ASN 21 -14.410 1.831 3.727 567 HO6 NAG 121 H6 ASN 21 -12.363 -1.671 1.714 568 H1 NAG 148 H1 ASN 48 -8.680 -3.573 -6.695 569 H2 NAG 148 H2 ASN 48 -7.878 -2.248 -4.055 570 H3 NAG 148 H3 ASN 48 -9.537 -4.780 -4.234 571 H4 NAG 148 H4 ASN 48 -10.754 -2.073 -3.605 572 H5 NAG 148 H5 ASN 48 -10.922 -3.557 -6.262 573 1H6 NAG 148 1H6 ASN 48 -12.050 -0.837 -5.429 574 2H6 NAG 148 2H6 ASN 48 -13.010 -2.306 -5.606 575 1H8 NAG 148 1H8 ASN 48 -5.575 -2.104 -4.868 576 2H8 NAG 148 2H8 ASN 48 -5.978 -1.800 -3.166 577 3H8 NAG 148 3H8 ASN 48 -4.431 -2.553 -3.599 578 HN2 NAG 148 HN2 ASN 48 -7.119 -4.823 -5.273 579 HO4 NAG 148 HO4 ASN 48 -12.006 -3.545 -2.896 580 HO3 NAG 148 HO3 ASN 48 -10.042 -3.892 -2.110 581 HO6 NAG 148 H6 ASN 48 -11.882 -0.676 -7.477 Start of MODEL 10 1 1H HIS 1 1H HIS 1 6.113 2.478 19.278 2 2H HIS 1 2H HIS 1 5.543 0.881 19.172 3 3H HIS 1 3H HIS 1 4.637 2.053 20.003 4 HA HIS 1 HA HIS 1 5.661 0.706 21.570 5 1HB HIS 1 1HB HIS 1 8.096 0.380 21.650 6 2HB HIS 1 2HB HIS 1 7.486 -0.161 20.101 7 HD2 HIS 1 HD2 HIS 1 10.370 0.466 19.781 8 HE1 HIS 1 HE1 HIS 1 9.480 4.510 18.643 9 HE2 HIS 1 HE2 HIS 1 11.307 2.695 18.625 10 H MET 2 H MET 2 5.066 3.714 20.983 11 HA MET 2 HA MET 2 5.507 3.582 23.897 12 1HB MET 2 1HB MET 2 5.434 6.175 22.275 13 2HB MET 2 2HB MET 2 5.582 6.094 24.015 14 1HG MET 2 1HG MET 2 7.731 4.654 23.580 15 2HG MET 2 2HG MET 2 7.628 5.241 21.929 16 1HE MET 2 1HE MET 2 6.223 8.289 22.828 17 2HE MET 2 2HE MET 2 7.107 7.705 21.409 18 3HE MET 2 3HE MET 2 7.726 9.085 22.332 19 H GLU 3 H GLU 3 3.153 2.595 22.357 20 HA GLU 3 HA GLU 3 1.571 5.102 22.195 21 1HB GLU 3 2HB GLU 3 1.574 2.802 20.204 22 2HB GLU 3 1HB GLU 3 0.701 4.323 20.019 23 1HG GLU 3 1HG GLU 3 3.743 4.214 20.282 24 2HG GLU 3 2HG GLU 3 2.931 4.134 18.724 25 HA PRO 4 HA PRO 4 -2.032 2.626 23.345 26 1HB PRO 4 1HB PRO 4 -3.756 4.272 21.689 27 2HB PRO 4 2HB PRO 4 -3.633 4.288 23.443 28 1HG PRO 4 1HG PRO 4 -2.647 6.287 21.591 29 2HG PRO 4 2HG PRO 4 -2.525 6.301 23.346 30 1HD PRO 4 2HD PRO 4 -0.406 5.745 21.410 31 2HD PRO 4 1HD PRO 4 -0.262 5.864 23.171 32 H VAL 5 H VAL 5 -0.357 2.615 20.774 33 HA VAL 5 HA VAL 5 -0.585 1.294 18.729 34 HB VAL 5 HB VAL 5 0.862 0.415 20.116 35 1HG1 VAL 5 1HG1 VAL 5 -0.441 -1.292 22.039 36 2HG1 VAL 5 2HG1 VAL 5 0.508 0.160 22.356 37 3HG1 VAL 5 3HG1 VAL 5 -1.234 0.280 22.093 38 1HG2 VAL 5 1HG2 VAL 5 -0.778 -1.383 18.690 39 2HG2 VAL 5 2HG2 VAL 5 0.884 -1.676 19.198 40 3HG2 VAL 5 3HG2 VAL 5 -0.453 -2.210 20.215 41 H ASP 6 H ASP 6 -2.728 2.030 18.648 42 HA ASP 6 HA ASP 6 -5.054 0.674 19.161 43 1HB ASP 6 1HB ASP 6 -4.475 2.527 17.015 44 2HB ASP 6 2HB ASP 6 -5.183 1.200 16.283 45 HA PRO 7 HA PRO 7 -5.075 -3.208 16.667 46 1HB PRO 7 1HB PRO 7 -7.746 -2.564 15.662 47 2HB PRO 7 2HB PRO 7 -7.260 -3.883 16.720 48 1HG PRO 7 1HG PRO 7 -8.668 -1.491 17.477 49 2HG PRO 7 2HG PRO 7 -8.095 -2.764 18.548 50 1HD PRO 7 1HD PRO 7 -7.023 -0.085 18.256 51 2HD PRO 7 2HD PRO 7 -6.448 -1.356 19.343 52 H CYS 8 H CYS 8 -6.222 -0.033 15.397 53 HA CYS 8 HA CYS 8 -4.725 -0.652 12.998 54 1HB CYS 8 2HB CYS 8 -6.338 1.041 12.596 55 2HB CYS 8 1HB CYS 8 -6.005 1.821 14.143 56 H PHE 9 H PHE 9 -4.195 2.150 14.917 57 HA PHE 9 HA PHE 9 -1.662 2.571 14.245 58 1HB PHE 9 1HB PHE 9 -3.172 3.917 15.832 59 2HB PHE 9 2HB PHE 9 -2.582 2.832 17.107 60 HD1 PHE 9 HD1 PHE 9 -1.527 4.508 18.498 61 HD2 PHE 9 HD2 PHE 9 -0.443 4.137 14.285 62 HE1 PHE 9 HE1 PHE 9 0.460 6.003 18.876 63 HE2 PHE 9 HE2 PHE 9 1.529 5.641 14.660 64 HZ PHE 9 HZ PHE 9 1.980 6.583 16.949 65 H ARG 10 H ARG 10 0.435 2.374 15.631 66 HA ARG 10 HA ARG 10 2.038 0.888 15.675 67 1HB ARG 10 2HB ARG 10 0.183 -0.093 17.526 68 2HB ARG 10 1HB ARG 10 0.648 -1.524 16.603 69 1HG ARG 10 1HG ARG 10 3.001 0.109 17.204 70 2HG ARG 10 2HG ARG 10 2.095 -0.071 18.635 71 1HD ARG 10 1HD ARG 10 2.092 -2.705 18.002 72 2HD ARG 10 2HD ARG 10 3.461 -2.232 16.984 73 HE ARG 10 HE ARG 10 4.486 -1.323 19.089 74 1HH1 ARG 10 2HH1 ARG 10 1.653 -3.674 20.050 75 2HH1 ARG 10 1HH1 ARG 10 2.083 -2.574 21.317 76 1HH2 ARG 10 1HH2 ARG 10 5.132 -4.121 19.669 77 2HH2 ARG 10 2HH2 ARG 10 4.689 -3.839 21.320 78 H ALA 11 H ALA 11 -0.623 0.362 14.038 79 HA ALA 11 HA ALA 11 -0.772 -2.168 13.051 80 1HB ALA 11 1HB ALA 11 -1.260 -0.783 10.644 81 2HB ALA 11 2HB ALA 11 -2.441 -1.066 11.922 82 3HB ALA 11 3HB ALA 11 -1.535 0.441 11.886 83 H ASN 12 H ASN 12 0.084 -3.369 11.167 84 HA ASN 12 HA ASN 12 2.591 -2.135 10.181 85 1HB ASN 12 1HB ASN 12 1.772 -4.969 10.729 86 2HB ASN 12 2HB ASN 12 2.716 -4.760 9.260 87 1HD2 ASN 12 2HD2 ASN 12 4.847 -5.819 10.473 88 2HD2 ASN 12 1HD2 ASN 12 4.302 -5.839 12.140 89 H CYS 13 H CYS 13 -0.334 -1.974 9.262 90 HA CYS 13 HA CYS 13 -0.644 -2.449 6.686 91 1HB CYS 13 1HB CYS 13 -0.934 0.372 7.849 92 2HB CYS 13 2HB CYS 13 -1.739 -0.262 6.406 93 H GLU 14 H GLU 14 1.043 -2.843 5.551 94 HA GLU 14 HA GLU 14 2.861 -1.312 4.269 95 1HB GLU 14 1HB GLU 14 1.935 -3.353 3.236 96 2HB GLU 14 2HB GLU 14 0.477 -2.499 2.810 97 1HG GLU 14 1HG GLU 14 2.470 -2.777 1.042 98 2HG GLU 14 2HG GLU 14 1.506 -1.303 1.075 99 H TYR 15 H TYR 15 -0.533 -0.809 3.157 100 HA TYR 15 HA TYR 15 -0.107 2.059 3.194 101 1HB TYR 15 2HB TYR 15 -1.884 0.577 1.859 102 2HB TYR 15 1HB TYR 15 -2.903 0.863 3.255 103 HD1 TYR 15 HD1 TYR 15 -3.917 3.046 3.647 104 HD2 TYR 15 HD2 TYR 15 -0.912 2.515 0.529 105 HE1 TYR 15 HE1 TYR 15 -4.572 5.251 2.647 106 HE2 TYR 15 HE2 TYR 15 -1.549 4.740 -0.459 107 HH TYR 15 HH TYR 15 -2.653 6.935 0.447 108 H GLN 16 H GLN 16 -2.887 2.129 4.448 109 HA GLN 16 HA GLN 16 -1.946 2.040 7.266 110 1HB GLN 16 2HB GLN 16 -3.173 4.084 5.837 111 2HB GLN 16 1HB GLN 16 -4.528 3.434 6.713 112 1HG GLN 16 1HG GLN 16 -3.135 3.617 8.862 113 2HG GLN 16 2HG GLN 16 -1.898 4.446 7.926 114 1HE2 GLN 16 1HE2 GLN 16 -3.196 6.268 6.320 115 2HE2 GLN 16 2HE2 GLN 16 -4.857 6.570 6.795 116 H CYS 17 H CYS 17 -4.510 2.424 8.193 117 HA CYS 17 HA CYS 17 -4.939 -0.497 8.544 118 1HB CYS 17 1HB CYS 17 -6.309 0.467 10.674 119 2HB CYS 17 2HB CYS 17 -4.576 0.235 10.694 120 H GLN 18 H GLN 18 -6.904 -1.429 7.441 121 HA GLN 18 HA GLN 18 -9.135 -0.130 8.819 122 1HB GLN 18 1HB GLN 18 -9.035 -1.750 6.633 123 2HB GLN 18 2HB GLN 18 -9.274 -2.975 7.882 124 1HG GLN 18 1HG GLN 18 -11.503 -2.516 7.727 125 2HG GLN 18 2HG GLN 18 -11.157 -0.995 8.547 126 1HE2 GLN 18 2HE2 GLN 18 -9.921 0.612 6.789 127 2HE2 GLN 18 1HE2 GLN 18 -10.230 0.294 5.092 128 HA PRO 19 HA PRO 19 -9.578 -3.472 11.811 129 1HB PRO 19 1HB PRO 19 -12.023 -2.094 12.460 130 2HB PRO 19 2HB PRO 19 -10.668 -2.425 13.542 131 1HG PRO 19 1HG PRO 19 -11.451 0.130 12.409 132 2HG PRO 19 2HG PRO 19 -10.125 -0.192 13.520 133 1HD PRO 19 1HD PRO 19 -9.953 0.382 10.669 134 2HD PRO 19 2HD PRO 19 -8.617 0.098 11.796 135 H LEU 20 H LEU 20 -10.328 -4.968 9.904 136 HA LEU 20 HA LEU 20 -12.837 -5.408 9.566 137 1HB LEU 20 1HB LEU 20 -11.490 -6.874 11.876 138 2HB LEU 20 2HB LEU 20 -12.737 -7.525 10.827 139 HG LEU 20 HG LEU 20 -10.017 -6.623 10.260 140 1HD1 LEU 20 1HD1 LEU 20 -9.477 -8.911 9.703 141 2HD1 LEU 20 2HD1 LEU 20 -10.761 -9.152 10.900 142 3HD1 LEU 20 3HD1 LEU 20 -11.119 -9.255 9.183 143 1HD2 LEU 20 1HD2 LEU 20 -10.872 -5.766 8.281 144 2HD2 LEU 20 2HD2 LEU 20 -10.698 -7.430 7.729 145 3HD2 LEU 20 3HD2 LEU 20 -12.262 -6.847 8.297 146 H ASN 21 H ASN 21 -11.415 -4.897 12.571 147 HA ASN 21 HA ASN 21 -12.292 -5.240 14.768 148 1HB ASN 21 2HB ASN 21 -13.475 -3.343 15.614 149 2HB ASN 21 1HB ASN 21 -12.488 -2.700 14.292 150 1HD2 ASN 21 HD2 ASN 21 -14.931 -1.049 14.882 151 H GLN 22 H GLN 22 -14.550 -5.910 16.183 152 HA GLN 22 HA GLN 22 -14.882 -8.253 15.948 153 1HB GLN 22 1HB GLN 22 -13.496 -7.797 13.279 154 2HB GLN 22 2HB GLN 22 -13.558 -9.396 13.976 155 1HG GLN 22 1HG GLN 22 -16.008 -9.390 13.989 156 2HG GLN 22 2HG GLN 22 -16.059 -7.694 13.527 157 1HE2 GLN 22 2HE2 GLN 22 -17.247 -9.935 12.238 158 2HE2 GLN 22 1HE2 GLN 22 -16.737 -9.781 10.567 159 H THR 23 H THR 23 -11.598 -6.561 16.663 160 HA THR 23 HA THR 23 -11.718 -6.936 13.911 161 HB THR 23 HB THR 23 -9.791 -5.652 13.830 162 HG1 THR 23 HG1 THR 23 -8.031 -6.505 14.360 163 1HG2 THR 23 1HG2 THR 23 -10.746 -4.408 15.690 164 2HG2 THR 23 2HG2 THR 23 -10.279 -5.649 16.856 165 3HG2 THR 23 3HG2 THR 23 -9.053 -4.658 16.083 166 H SER 24 H SER 24 -10.650 -8.628 12.386 167 HA SER 24 HA SER 24 -8.260 -9.345 13.889 168 1HB SER 24 2HB SER 24 -9.306 -10.376 11.481 169 2HB SER 24 1HB SER 24 -7.988 -9.329 10.944 170 HG SER 24 HG SER 24 -6.634 -10.672 11.684 171 H TYR 25 H TYR 25 -9.504 -6.982 12.206 172 HA TYR 25 HA TYR 25 -8.902 -5.134 10.944 173 1HB TYR 25 2HB TYR 25 -7.391 -3.532 12.007 174 2HB TYR 25 1HB TYR 25 -8.368 -4.351 13.230 175 HD1 TYR 25 HD1 TYR 25 -7.265 -5.244 15.144 176 HD2 TYR 25 HD2 TYR 25 -4.997 -4.586 11.474 177 HE1 TYR 25 HE1 TYR 25 -5.160 -5.973 16.312 178 HE2 TYR 25 HE2 TYR 25 -2.893 -5.292 12.649 179 HH TYR 25 HH TYR 25 -2.150 -6.514 14.601 180 H LEU 26 H LEU 26 -7.896 -4.449 9.488 181 HA LEU 26 HA LEU 26 -6.151 -6.488 8.326 182 1HB LEU 26 2HB LEU 26 -7.747 -6.666 6.726 183 2HB LEU 26 1HB LEU 26 -8.729 -5.773 7.887 184 HG LEU 26 HG LEU 26 -7.603 -3.694 6.573 185 1HD1 LEU 26 1HD2 LEU 26 -6.723 -5.801 4.977 186 2HD1 LEU 26 2HD2 LEU 26 -8.221 -5.345 4.174 187 3HD1 LEU 26 3HD2 LEU 26 -6.956 -4.144 4.404 188 1HD2 LEU 26 1HD1 LEU 26 -9.748 -3.340 5.673 189 2HD2 LEU 26 2HD1 LEU 26 -9.974 -5.038 5.268 190 3HD2 LEU 26 3HD1 LEU 26 -10.111 -4.510 6.942 191 H CYS 27 H CYS 27 -5.563 -5.037 5.753 192 HA CYS 27 HA CYS 27 -5.004 -2.353 6.820 193 1HB CYS 27 1HB CYS 27 -2.850 -4.128 5.705 194 2HB CYS 27 2HB CYS 27 -2.689 -2.366 5.667 195 H VAL 28 H VAL 28 -5.221 -0.820 5.626 196 HA VAL 28 HA VAL 28 -6.601 -1.042 3.160 197 HB VAL 28 HB VAL 28 -5.129 1.493 3.387 198 1HG1 VAL 28 1HG2 VAL 28 -6.935 1.893 2.092 199 2HG1 VAL 28 2HG2 VAL 28 -7.845 0.539 2.763 200 3HG1 VAL 28 3HG2 VAL 28 -7.816 2.087 3.608 201 1HG2 VAL 28 1HG1 VAL 28 -7.076 1.837 5.443 202 2HG2 VAL 28 2HG1 VAL 28 -5.984 0.583 5.993 203 3HG2 VAL 28 3HG1 VAL 28 -5.350 2.131 5.477 204 H CYS 29 H CYS 29 -5.921 -0.395 1.129 205 HA CYS 29 HA CYS 29 -3.014 -0.631 0.728 206 1HB CYS 29 1HB CYS 29 -5.443 -1.619 -0.736 207 2HB CYS 29 2HB CYS 29 -3.857 -1.602 -1.518 208 H ALA 30 H ALA 30 -5.675 0.585 -0.452 209 HA ALA 30 HA ALA 30 -6.440 2.511 -1.673 210 1HB ALA 30 1HB ALA 30 -5.297 4.327 -0.704 211 2HB ALA 30 2HB ALA 30 -4.284 3.103 0.065 212 3HB ALA 30 3HB ALA 30 -3.769 3.850 -1.447 213 H GLU 31 H GLU 31 -6.732 3.212 -3.658 214 HA GLU 31 HA GLU 31 -6.532 0.831 -4.632 215 1HB GLU 31 2HB GLU 31 -8.308 1.637 -5.681 216 2HB GLU 31 1HB GLU 31 -7.805 3.259 -5.343 217 1HG GLU 31 1HG GLU 31 -6.413 3.245 -7.422 218 2HG GLU 31 2HG GLU 31 -7.080 1.657 -7.835 219 H GLY 32 H GLY 32 -4.558 3.186 -5.411 220 1HA GLY 32 2HA GLY 32 -2.737 2.561 -7.484 221 2HA GLY 32 1HA GLY 32 -2.200 3.023 -5.841 222 H PHE 33 H PHE 33 -3.715 0.582 -4.880 223 HA PHE 33 HA PHE 33 -1.341 -1.195 -4.859 224 1HB PHE 33 2HB PHE 33 -2.397 0.742 -2.780 225 2HB PHE 33 1HB PHE 33 -1.668 -0.766 -2.225 226 HD1 PHE 33 HD1 PHE 33 0.761 -0.955 -2.061 227 HD2 PHE 33 HD2 PHE 33 -1.048 2.247 -4.409 228 HE1 PHE 33 HE1 PHE 33 2.985 0.187 -2.209 229 HE2 PHE 33 HE2 PHE 33 1.199 3.380 -4.583 230 HZ PHE 33 HZ PHE 33 3.214 2.346 -3.483 231 H ALA 34 H ALA 34 -1.981 -3.304 -4.448 232 HA ALA 34 HA ALA 34 -4.015 -4.094 -2.812 233 1HB ALA 34 1HB ALA 34 -5.095 -2.735 -5.225 234 2HB ALA 34 2HB ALA 34 -5.791 -4.341 -5.013 235 3HB ALA 34 3HB ALA 34 -5.938 -3.136 -3.729 236 HA PRO 35 HA PRO 35 -1.732 -5.992 -2.635 237 1HB PRO 35 1HB PRO 35 -2.385 -8.542 -1.550 238 2HB PRO 35 2HB PRO 35 -2.534 -6.998 -0.715 239 1HG PRO 35 1HG PRO 35 -4.679 -8.701 -1.721 240 2HG PRO 35 2HG PRO 35 -4.817 -7.234 -0.761 241 1HD PRO 35 2HD PRO 35 -5.325 -7.543 -3.618 242 2HD PRO 35 1HD PRO 35 -5.500 -6.074 -2.645 243 H ILE 36 H ILE 36 -0.137 -6.514 -4.139 244 HA ILE 36 HA ILE 36 1.040 -8.588 -4.965 245 HB ILE 36 HB ILE 36 2.533 -7.285 -3.892 246 1HG1 ILE 36 1HG1 ILE 36 2.827 -9.852 -3.117 247 2HG1 ILE 36 2HG1 ILE 36 3.956 -8.560 -2.844 248 1HG2 ILE 36 1HG2 ILE 36 1.003 -7.387 -1.281 249 2HG2 ILE 36 2HG2 ILE 36 2.396 -6.373 -1.643 250 3HG2 ILE 36 3HG2 ILE 36 0.868 -6.091 -2.472 251 1HD1 ILE 36 1HD1 ILE 36 3.435 -9.817 -0.758 252 2HD1 ILE 36 2HD1 ILE 36 2.991 -8.098 -0.650 253 3HD1 ILE 36 3HD1 ILE 36 1.734 -9.311 -0.918 254 HA PRO 37 HA PRO 37 -0.095 -12.719 -3.716 255 1HB PRO 37 1HB PRO 37 2.840 -12.913 -3.148 256 2HB PRO 37 2HB PRO 37 1.842 -13.978 -4.120 257 1HG PRO 37 1HG PRO 37 3.574 -11.982 -5.127 258 2HG PRO 37 2HG PRO 37 2.263 -12.707 -6.053 259 1HD PRO 37 1HD PRO 37 2.437 -9.984 -5.054 260 2HD PRO 37 2HD PRO 37 1.130 -10.692 -6.013 261 H HIS 38 H HIS 38 1.437 -14.199 -1.926 262 HA HIS 38 HA HIS 38 -0.112 -14.695 -0.116 263 1HB HIS 38 1HB HIS 38 1.395 -14.729 1.799 264 2HB HIS 38 2HB HIS 38 2.128 -15.339 0.313 265 HD1 HIS 38 HD1 HIS 38 3.882 -14.313 2.834 266 HD2 HIS 38 HD2 HIS 38 2.879 -12.158 -0.652 267 HE1 HIS 38 HE1 HIS 38 5.510 -12.323 2.706 268 H GLU 39 H GLU 39 1.292 -12.546 1.780 269 HA GLU 39 HA GLU 39 -0.311 -13.136 3.632 270 1HB GLU 39 2HB GLU 39 0.675 -10.304 3.220 271 2HB GLU 39 1HB GLU 39 0.077 -10.862 4.791 272 1HG GLU 39 1HG GLU 39 2.202 -12.437 3.314 273 2HG GLU 39 2HG GLU 39 2.686 -11.042 4.255 274 HA PRO 40 HA PRO 40 -3.077 -9.335 3.280 275 1HB PRO 40 1HB PRO 40 -3.475 -8.772 6.006 276 2HB PRO 40 2HB PRO 40 -4.649 -9.602 4.993 277 1HG PRO 40 1HG PRO 40 -3.013 -10.714 7.165 278 2HG PRO 40 2HG PRO 40 -4.342 -11.479 6.302 279 1HD PRO 40 1HD PRO 40 -1.450 -11.896 5.900 280 2HD PRO 40 2HD PRO 40 -2.786 -12.779 5.145 281 H HIS 41 H HIS 41 -1.430 -7.605 2.928 282 HA HIS 41 HA HIS 41 -1.946 -5.999 5.168 283 1HB HIS 41 2HB HIS 41 0.389 -5.568 5.874 284 2HB HIS 41 1HB HIS 41 -0.141 -7.162 6.441 285 HD1 HIS 41 HD1 HIS 41 1.033 -9.344 4.971 286 HD2 HIS 41 HD2 HIS 41 2.311 -5.416 4.136 287 HE1 HIS 41 HE1 HIS 41 2.771 -9.469 3.061 288 H ARG 42 H ARG 42 -1.831 -5.153 2.295 289 HA ARG 42 HA ARG 42 0.899 -6.311 2.127 290 1HB ARG 42 2HB ARG 42 -1.669 -7.273 1.270 291 2HB ARG 42 1HB ARG 42 -0.637 -7.253 -0.167 292 1HG ARG 42 2HG ARG 42 1.147 -8.284 0.882 293 2HG ARG 42 1HG ARG 42 0.162 -8.403 2.360 294 1HD ARG 42 2HD ARG 42 -0.791 -9.235 -0.467 295 2HD ARG 42 1HD ARG 42 -0.074 -10.389 0.635 296 HE ARG 42 HE ARG 42 -1.998 -9.702 2.184 297 1HH1 ARG 42 2HH1 ARG 42 -2.265 -11.325 -0.674 298 2HH1 ARG 42 1HH1 ARG 42 -3.689 -10.582 -1.324 299 1HH2 ARG 42 2HH2 ARG 42 -4.536 -9.116 1.550 300 2HH2 ARG 42 1HH2 ARG 42 -4.482 -8.476 -0.059 301 H CYS 43 H CYS 43 -1.236 -5.082 0.213 302 HA CYS 43 HA CYS 43 -0.842 -4.249 -2.287 303 1HB CYS 43 2HB CYS 43 -0.630 -1.764 -0.912 304 2HB CYS 43 1HB CYS 43 -2.102 -2.578 -1.537 305 H GLN 44 H GLN 44 0.783 -4.282 -3.502 306 HA GLN 44 HA GLN 44 2.997 -2.596 -2.677 307 1HB GLN 44 1HB GLN 44 3.757 -4.736 -1.807 308 2HB GLN 44 2HB GLN 44 3.282 -5.557 -3.266 309 1HG GLN 44 1HG GLN 44 5.078 -4.445 -4.552 310 2HG GLN 44 2HG GLN 44 5.502 -3.454 -3.160 311 1HE2 GLN 44 1HE2 GLN 44 5.874 -4.844 -1.056 312 2HE2 GLN 44 2HE2 GLN 44 6.225 -6.555 -1.223 313 H MET 45 H MET 45 3.856 -1.563 -4.422 314 HA MET 45 HA MET 45 1.275 -0.976 -4.860 315 1HB MET 45 1HB MET 45 1.940 1.008 -5.919 316 2HB MET 45 2HB MET 45 3.500 0.474 -5.338 317 1HG MET 45 1HG MET 45 4.048 0.853 -7.569 318 2HG MET 45 2HG MET 45 3.541 -0.823 -7.701 319 1HE MET 45 1HE MET 45 1.943 -0.603 -10.649 320 2HE MET 45 2HE MET 45 2.927 0.862 -10.754 321 3HE MET 45 3HE MET 45 3.533 -0.557 -9.877 322 H PHE 46 H PHE 46 -0.353 -0.975 -6.468 323 HA PHE 46 HA PHE 46 -0.191 -3.678 -7.113 324 1HB PHE 46 1HB PHE 46 -2.387 -3.166 -6.460 325 2HB PHE 46 2HB PHE 46 -2.315 -1.569 -7.140 326 HD1 PHE 46 HD1 PHE 46 -2.262 -5.125 -8.534 327 HD2 PHE 46 HD2 PHE 46 -3.966 -1.112 -8.701 328 HE1 PHE 46 HE1 PHE 46 -3.752 -5.841 -10.421 329 HE2 PHE 46 HE2 PHE 46 -5.458 -1.828 -10.598 330 HZ PHE 46 HZ PHE 46 -5.347 -4.191 -11.464 331 H CYS 47 H CYS 47 0.534 -1.116 -8.910 332 HA CYS 47 HA CYS 47 -1.434 -1.664 -10.911 333 1HB CYS 47 2HB CYS 47 0.381 0.614 -10.457 334 2HB CYS 47 1HB CYS 47 0.135 0.342 -12.160 335 H ASN 48 H ASN 48 -1.448 -2.712 -12.865 336 HA ASN 48 HA ASN 48 1.074 -3.790 -13.766 337 1HB ASN 48 2HB ASN 48 0.748 -6.085 -12.770 338 2HB ASN 48 1HB ASN 48 0.883 -4.870 -11.503 339 1HD2 ASN 48 HD2 ASN 48 -1.365 -5.586 -9.769 340 H GLN 49 H GLN 49 -1.037 -2.719 -15.299 341 HA GLN 49 HA GLN 49 -0.395 -4.840 -17.093 342 1HB GLN 49 2HB GLN 49 -2.380 -5.977 -16.369 343 2HB GLN 49 1HB GLN 49 -3.286 -4.491 -16.212 344 1HG GLN 49 2HG GLN 49 -3.374 -4.234 -18.682 345 2HG GLN 49 1HG GLN 49 -2.366 -5.663 -18.888 346 1HE2 GLN 49 2HE2 GLN 49 -5.494 -4.409 -18.411 347 2HE2 GLN 49 1HE2 GLN 49 -6.302 -5.926 -18.760 348 H THR 50 H THR 50 0.037 -3.313 -19.330 349 HA THR 50 HA THR 50 0.997 -2.158 -16.959 350 HB THR 50 HB THR 50 2.779 -1.255 -18.305 351 HG1 THR 50 HG1 THR 50 2.125 -1.319 -20.708 352 1HG2 THR 50 1HG2 THR 50 1.894 -3.906 -18.808 353 2HG2 THR 50 2HG2 THR 50 3.494 -3.250 -19.157 354 3HG2 THR 50 3HG2 THR 50 2.245 -3.234 -20.400 355 H ALA 51 H ALA 51 -1.712 -1.110 -17.095 356 HA ALA 51 HA ALA 51 -1.681 0.112 -15.148 357 1HB ALA 51 1HB ALA 51 0.637 -0.187 -14.012 358 2HB ALA 51 2HB ALA 51 1.249 -0.771 -15.552 359 3HB ALA 51 3HB ALA 51 0.001 -1.680 -14.700 360 H CYS 52 H CYS 52 0.305 1.413 -13.861 361 HA CYS 52 HA CYS 52 -1.012 3.782 -14.947 362 1HB CYS 52 2HB CYS 52 -0.412 3.178 -12.048 363 2HB CYS 52 1HB CYS 52 -1.732 4.134 -12.707 364 HA PRO 53 HA PRO 53 0.736 6.474 -15.319 365 1HB PRO 53 2HB PRO 53 0.759 8.712 -13.568 366 2HB PRO 53 1HB PRO 53 -0.729 7.915 -14.067 367 1HG PRO 53 2HG PRO 53 0.607 7.818 -11.431 368 2HG PRO 53 1HG PRO 53 -1.015 7.290 -11.853 369 1HD PRO 53 2HD PRO 53 1.383 5.640 -11.505 370 2HD PRO 53 1HD PRO 53 -0.280 5.124 -11.767 371 H ALA 54 H ALA 54 3.329 5.606 -13.579 372 HA ALA 54 HA ALA 54 4.642 6.937 -12.042 373 1HB ALA 54 1HB ALA 54 6.428 7.710 -13.370 374 2HB ALA 54 2HB ALA 54 5.383 8.770 -14.314 375 3HB ALA 54 3HB ALA 54 5.492 7.053 -14.713 376 H ASP 55 H ASP 55 5.520 9.649 -12.589 377 HA ASP 55 HA ASP 55 5.015 11.588 -11.480 378 1HB ASP 55 1HB ASP 55 4.519 12.263 -13.685 379 2HB ASP 55 2HB ASP 55 3.166 11.156 -13.816 380 H CYS 56 H CYS 56 3.935 9.224 -10.042 381 HA CYS 56 HA CYS 56 2.125 9.761 -8.336 382 1HB CYS 56 2HB CYS 56 4.832 10.075 -7.212 383 2HB CYS 56 1HB CYS 56 3.641 8.775 -6.990 384 H ASP 57 H ASP 57 3.474 11.005 -6.142 385 HA ASP 57 HA ASP 57 2.205 13.357 -5.950 386 1HB ASP 57 2HB ASP 57 3.843 12.127 -4.268 387 2HB ASP 57 1HB ASP 57 5.079 13.194 -4.920 388 HA PRO 58 HA PRO 58 4.328 16.621 -8.277 389 1HB PRO 58 2HB PRO 58 3.721 18.412 -6.058 390 2HB PRO 58 1HB PRO 58 3.039 18.425 -7.677 391 1HG PRO 58 2HG PRO 58 1.762 17.528 -5.241 392 2HG PRO 58 1HG PRO 58 1.080 17.539 -6.862 393 1HD PRO 58 2HD PRO 58 1.952 15.235 -5.343 394 2HD PRO 58 1HD PRO 58 1.303 15.242 -6.990 395 H ASN 59 H ASN 59 4.564 16.587 -4.609 396 HA ASN 59 HA ASN 59 6.362 18.688 -5.071 397 1HB ASN 59 1HB ASN 59 4.803 17.864 -2.965 398 2HB ASN 59 2HB ASN 59 6.407 17.407 -2.360 399 1HD2 ASN 59 1HD2 ASN 59 4.299 19.498 -1.861 400 2HD2 ASN 59 2HD2 ASN 59 5.169 21.016 -1.713 401 H THR 60 H THR 60 6.736 15.897 -3.492 402 HA THR 60 HA THR 60 9.655 16.201 -3.533 403 HB THR 60 HB THR 60 9.298 16.083 -1.303 404 HG1 THR 60 HG1 THR 60 10.221 14.369 -0.754 405 1HG2 THR 60 1HG2 THR 60 7.469 14.317 -0.464 406 2HG2 THR 60 2HG2 THR 60 6.899 14.484 -2.139 407 3HG2 THR 60 3HG2 THR 60 6.985 15.910 -1.101 408 H GLN 61 H GLN 61 8.257 14.503 -5.681 409 HA GLN 61 HA GLN 61 6.952 12.539 -4.560 410 1HB GLN 61 1HB GLN 61 7.027 11.171 -6.566 411 2HB GLN 61 2HB GLN 61 7.231 12.827 -7.082 412 1HG GLN 61 2HG GLN 61 9.874 12.068 -6.659 413 2HG GLN 61 1HG GLN 61 9.155 10.566 -7.231 414 1HE2 GLN 61 2HE2 GLN 61 8.144 10.659 -9.634 415 2HE2 GLN 61 1HE2 GLN 61 7.365 12.223 -9.779 416 H ALA 62 H ALA 62 9.048 12.530 -2.665 417 HA ALA 62 HA ALA 62 9.993 10.093 -2.266 418 1HB ALA 62 1HB ALA 62 8.841 12.045 -0.608 419 2HB ALA 62 2HB ALA 62 9.672 10.593 -0.048 420 3HB ALA 62 3HB ALA 62 7.916 10.594 -0.218 421 H SER 63 H SER 63 8.821 8.803 -4.116 422 HA SER 63 HA SER 63 6.294 7.689 -3.584 423 1HB SER 63 2HB SER 63 5.830 10.136 -5.321 424 2HB SER 63 1HB SER 63 4.700 9.321 -4.247 425 HG SER 63 HG SER 63 5.601 10.295 -2.556 426 H CYS 64 H CYS 64 8.451 6.531 -5.216 427 HA CYS 64 HA CYS 64 5.849 5.496 -5.563 428 1HB CYS 64 2HB CYS 64 7.221 6.500 -8.026 429 2HB CYS 64 1HB CYS 64 6.611 4.866 -8.174 430 H GLU 65 H GLU 65 5.976 3.021 -6.420 431 HA GLU 65 HA GLU 65 8.004 2.426 -4.374 432 1HB GLU 65 1HB GLU 65 5.530 3.511 -3.835 433 2HB GLU 65 2HB GLU 65 5.124 1.823 -3.768 434 1HG GLU 65 2HG GLU 65 6.588 1.381 -1.929 435 2HG GLU 65 1HG GLU 65 7.532 2.841 -2.209 436 H CYS 66 H CYS 66 6.905 1.321 -7.023 437 HA CYS 66 HA CYS 66 5.208 -0.692 -6.617 438 1HB CYS 66 1HB CYS 66 6.968 -1.067 -8.959 439 2HB CYS 66 2HB CYS 66 5.266 -0.601 -8.897 440 HA PRO 67 HA PRO 67 7.237 -4.438 -5.783 441 1HB PRO 67 1HB PRO 67 6.771 -6.011 -8.147 442 2HB PRO 67 2HB PRO 67 5.744 -5.941 -6.699 443 1HG PRO 67 2HG PRO 67 5.200 -4.830 -9.329 444 2HG PRO 67 1HG PRO 67 4.154 -4.823 -7.915 445 1HD PRO 67 2HD PRO 67 5.687 -2.600 -9.021 446 2HD PRO 67 1HD PRO 67 4.576 -2.555 -7.643 447 H GLU 68 H GLU 68 8.957 -6.306 -6.880 448 HA GLU 68 HA GLU 68 10.736 -5.532 -5.472 449 1HB GLU 68 2HB GLU 68 11.537 -5.414 -8.422 450 2HB GLU 68 1HB GLU 68 12.675 -5.581 -7.105 451 1HG GLU 68 2HG GLU 68 10.401 -7.562 -7.211 452 2HG GLU 68 1HG GLU 68 11.685 -7.734 -8.401 453 H GLY 69 H GLY 69 12.967 -3.680 -5.981 454 1HA GLY 69 1HA GLY 69 11.908 -1.570 -7.645 455 2HA GLY 69 2HA GLY 69 13.622 -2.077 -7.524 456 H TYR 70 H TYR 70 10.455 -3.054 -8.764 457 HA TYR 70 HA TYR 70 10.628 -4.919 -10.502 458 1HB TYR 70 2HB TYR 70 8.816 -3.122 -10.512 459 2HB TYR 70 1HB TYR 70 9.841 -2.150 -11.552 460 HD1 TYR 70 HD1 TYR 70 8.948 -5.844 -11.465 461 HD2 TYR 70 HD2 TYR 70 9.075 -2.144 -13.771 462 HE1 TYR 70 HE1 TYR 70 8.075 -7.072 -13.482 463 HE2 TYR 70 HE2 TYR 70 8.203 -3.371 -15.789 464 HH TYR 70 HH TYR 70 7.138 -6.763 -15.605 465 H ILE 71 H ILE 71 11.268 -2.637 -13.212 466 HA ILE 71 HA ILE 71 13.292 -1.679 -11.334 467 HB ILE 71 HB ILE 71 14.227 -3.213 -13.284 468 1HG1 ILE 71 1HG1 ILE 71 15.477 -0.533 -12.581 469 2HG1 ILE 71 2HG1 ILE 71 15.645 -2.016 -11.673 470 1HG2 ILE 71 1HG2 ILE 71 14.746 -2.089 -15.369 471 2HG2 ILE 71 2HG2 ILE 71 14.125 -0.553 -14.762 472 3HG2 ILE 71 3HG2 ILE 71 13.020 -1.892 -15.076 473 1HD1 ILE 71 1HD1 ILE 71 16.889 -3.086 -13.496 474 2HD1 ILE 71 2HD1 ILE 71 17.618 -1.505 -13.211 475 3HD1 ILE 71 3HD1 ILE 71 16.546 -1.745 -14.589 476 H LEU 72 H LEU 72 13.134 0.394 -11.051 477 HA LEU 72 HA LEU 72 10.784 1.503 -11.489 478 1HB LEU 72 2HB LEU 72 13.006 2.447 -10.261 479 2HB LEU 72 1HB LEU 72 13.163 3.369 -11.734 480 HG LEU 72 HG LEU 72 11.722 4.091 -9.491 481 1HD1 LEU 72 1HD2 LEU 72 12.842 5.621 -10.999 482 2HD1 LEU 72 2HD2 LEU 72 11.125 6.050 -10.987 483 3HD1 LEU 72 3HD2 LEU 72 11.805 5.145 -12.344 484 1HD2 LEU 72 1HD1 LEU 72 9.839 3.450 -11.787 485 2HD2 LEU 72 2HD1 LEU 72 9.426 4.393 -10.352 486 3HD2 LEU 72 3HD1 LEU 72 9.838 2.676 -10.194 487 H ASP 73 H ASP 73 9.556 2.402 -13.115 488 HA ASP 73 HA ASP 73 10.950 2.213 -15.696 489 1HB ASP 73 2HB ASP 73 9.900 -0.068 -14.395 490 2HB ASP 73 1HB ASP 73 8.612 0.369 -15.509 491 H ASP 74 H ASP 74 8.382 1.565 -17.138 492 HA ASP 74 HA ASP 74 9.332 3.742 -18.298 493 1HB ASP 74 2HB ASP 74 6.422 2.796 -18.553 494 2HB ASP 74 1HB ASP 74 7.177 3.910 -19.687 495 H GLY 75 H GLY 75 9.493 5.060 -16.153 496 1HA GLY 75 1HA GLY 75 9.102 7.482 -17.144 497 2HA GLY 75 2HA GLY 75 7.479 7.182 -16.492 498 H PHE 76 H PHE 76 8.154 5.823 -14.531 499 HA PHE 76 HA PHE 76 10.061 6.137 -12.669 500 1HB PHE 76 2HB PHE 76 8.701 8.732 -12.984 501 2HB PHE 76 1HB PHE 76 8.607 8.207 -11.314 502 HD1 PHE 76 HD1 PHE 76 11.369 7.490 -13.791 503 HD2 PHE 76 HD2 PHE 76 10.149 9.661 -10.211 504 HE1 PHE 76 HE1 PHE 76 13.752 8.204 -13.414 505 HE2 PHE 76 HE2 PHE 76 12.533 10.375 -9.831 506 HZ PHE 76 HZ PHE 76 14.336 9.644 -11.433 507 H ILE 77 H ILE 77 8.128 4.354 -13.148 508 HA ILE 77 HA ILE 77 5.829 5.667 -12.976 509 HB ILE 77 HB ILE 77 6.336 3.823 -14.431 510 1HG1 ILE 77 1HG1 ILE 77 3.697 3.502 -13.024 511 2HG1 ILE 77 2HG1 ILE 77 4.050 4.503 -14.426 512 1HG2 ILE 77 1HG2 ILE 77 5.310 1.736 -12.727 513 2HG2 ILE 77 2HG2 ILE 77 6.762 2.500 -12.034 514 3HG2 ILE 77 3HG2 ILE 77 6.824 1.798 -13.676 515 1HD1 ILE 77 1HD1 ILE 77 3.120 1.881 -14.521 516 2HD1 ILE 77 2HD1 ILE 77 4.849 1.675 -14.802 517 3HD1 ILE 77 3HD1 ILE 77 3.902 2.723 -15.859 518 H CYS 78 H CYS 78 3.773 5.349 -11.733 519 HA CYS 78 HA CYS 78 2.717 3.333 -10.879 520 1HB CYS 78 2HB CYS 78 4.853 3.536 -8.684 521 2HB CYS 78 1HB CYS 78 3.518 2.424 -8.666 522 H THR 79 H THR 79 2.515 3.834 -7.559 523 HA THR 79 HA THR 79 0.383 2.806 -8.358 524 HB THR 79 HB THR 79 0.011 3.525 -6.175 525 HG1 THR 79 HG1 THR 79 -1.876 3.828 -7.186 526 1HG2 THR 79 1HG2 THR 79 0.724 6.354 -7.104 527 2HG2 THR 79 2HG2 THR 79 1.694 5.315 -6.061 528 3HG2 THR 79 3HG2 THR 79 0.166 5.974 -5.475 529 H ASP 80 H ASP 80 -0.985 2.985 -10.433 530 HA ASP 80 HA ASP 80 -2.754 4.390 -8.704 531 1HB ASP 80 1HB ASP 80 -2.179 5.570 -11.408 532 2HB ASP 80 2HB ASP 80 -3.872 5.601 -10.875 533 H ILE 81 H ILE 81 -3.585 3.037 -12.273 534 HA ILE 81 HA ILE 81 -5.205 4.880 -12.173 535 HB ILE 81 HB ILE 81 -5.779 2.724 -13.321 536 1HG1 ILE 81 2HG1 ILE 81 -8.225 3.890 -11.962 537 2HG1 ILE 81 1HG1 ILE 81 -7.336 4.752 -13.196 538 1HG2 ILE 81 1HG2 ILE 81 -5.810 1.498 -10.954 539 2HG2 ILE 81 2HG2 ILE 81 -6.823 0.922 -12.278 540 3HG2 ILE 81 3HG2 ILE 81 -7.520 1.919 -10.999 541 1HD1 ILE 81 1HD1 ILE 81 -7.692 2.311 -14.455 542 2HD1 ILE 81 2HD1 ILE 81 -8.786 3.683 -14.641 543 3HD1 ILE 81 3HD1 ILE 81 -9.160 2.408 -13.481 544 H ASP 82 H ASP 82 -5.251 6.150 -9.948 545 HA ASP 82 HA ASP 82 -8.114 5.585 -10.303 546 1HB ASP 82 1HB ASP 82 -7.292 5.455 -7.786 547 2HB ASP 82 2HB ASP 82 -7.176 7.209 -7.892 548 H GLU 83 H GLU 83 -7.778 6.697 -12.243 549 HA GLU 83 HA GLU 83 -6.711 9.353 -12.213 550 1HB GLU 83 1HB GLU 83 -8.520 8.035 -14.309 551 2HB GLU 83 2HB GLU 83 -7.535 9.453 -14.578 552 1HG GLU 83 1HG GLU 83 -5.942 7.193 -13.526 553 2HG GLU 83 2HG GLU 83 -6.744 6.800 -15.043 554 H1 NAG 121 H1 ASN 21 -13.749 -1.129 12.219 555 H2 NAG 121 H2 ASN 21 -16.440 -1.379 12.286 556 H3 NAG 121 H3 ASN 21 -16.250 1.580 11.792 557 H4 NAG 121 H4 ASN 21 -16.715 0.397 14.563 558 H5 NAG 121 H5 ASN 21 -14.542 2.359 14.173 559 1H6 NAG 121 1H6 ASN 21 -15.218 0.100 15.956 560 2H6 NAG 121 2H6 ASN 21 -14.271 1.550 16.290 561 1H8 NAG 121 1H8 ASN 21 -14.863 -3.574 9.659 562 2H8 NAG 121 2H8 ASN 21 -13.960 -2.206 8.986 563 3H8 NAG 121 3H8 ASN 21 -13.968 -2.486 10.740 564 HN2 NAG 121 HN2 ASN 21 -15.220 0.298 10.186 565 HO4 NAG 121 HO4 ASN 21 -17.303 2.681 13.375 566 HO3 NAG 121 HO3 ASN 21 -18.231 1.270 11.676 567 HO6 NAG 121 H6 ASN 21 -13.153 -0.285 14.597 568 H1 NAG 148 H1 ASN 48 0.586 -7.334 -10.392 569 H2 NAG 148 H2 ASN 48 -2.034 -7.921 -8.914 570 H3 NAG 148 H3 ASN 48 0.565 -9.455 -8.563 571 H4 NAG 148 H4 ASN 48 -1.831 -10.503 -10.107 572 H5 NAG 148 H5 ASN 48 0.761 -9.434 -11.302 573 1H6 NAG 148 1H6 ASN 48 -1.137 -11.322 -12.309 574 2H6 NAG 148 2H6 ASN 48 0.166 -10.537 -13.204 575 1H8 NAG 148 1H8 ASN 48 -1.606 -4.980 -6.667 576 2H8 NAG 148 2H8 ASN 48 -1.360 -5.716 -5.103 577 3H8 NAG 148 3H8 ASN 48 0.047 -5.372 -6.113 578 HN2 NAG 148 HN2 ASN 48 0.439 -6.652 -8.062 579 HO4 NAG 148 HO4 ASN 48 0.810 -11.345 -10.177 580 HO3 NAG 148 HO3 ASN 48 -1.996 -10.335 -8.028 581 HO6 NAG 148 H6 ASN 48 -2.384 -9.466 -12.756 Start of MODEL 11 1 1H HIS 1 1H HIS 1 7.222 -13.247 23.643 2 2H HIS 1 2H HIS 1 5.695 -13.986 23.718 3 3H HIS 1 3H HIS 1 6.950 -14.721 22.844 4 HA HIS 1 HA HIS 1 5.627 -12.171 22.251 5 1HB HIS 1 1HB HIS 1 6.958 -12.342 20.080 6 2HB HIS 1 2HB HIS 1 7.903 -11.958 21.501 7 HD2 HIS 1 HD2 HIS 1 9.356 -14.082 22.575 8 HE1 HIS 1 HE1 HIS 1 9.328 -16.467 19.004 9 HE2 HIS 1 HE2 HIS 1 10.443 -16.178 21.306 10 H MET 2 H MET 2 3.497 -14.175 22.348 11 HA MET 2 HA MET 2 3.603 -12.072 20.319 12 1HB MET 2 1HB MET 2 1.489 -13.049 19.205 13 2HB MET 2 2HB MET 2 3.004 -13.832 18.820 14 1HG MET 2 1HG MET 2 1.652 -14.969 21.216 15 2HG MET 2 2HG MET 2 0.736 -15.146 19.729 16 1HE MET 2 1HE MET 2 1.684 -15.787 17.582 17 2HE MET 2 2HE MET 2 2.869 -17.084 17.349 18 3HE MET 2 3HE MET 2 3.413 -15.407 17.516 19 H GLU 3 H GLU 3 0.567 -11.910 20.163 20 HA GLU 3 HA GLU 3 2.003 -9.756 21.456 21 1HB GLU 3 1HB GLU 3 0.306 -8.347 19.992 22 2HB GLU 3 2HB GLU 3 1.548 -9.296 19.179 23 1HG GLU 3 1HG GLU 3 -0.083 -11.136 18.788 24 2HG GLU 3 2HG GLU 3 -1.331 -10.231 19.636 25 HA PRO 4 HA PRO 4 -1.630 -8.049 23.647 26 1HB PRO 4 1HB PRO 4 -0.196 -5.559 23.743 27 2HB PRO 4 2HB PRO 4 -0.597 -6.598 25.106 28 1HG PRO 4 1HG PRO 4 2.002 -6.176 23.891 29 2HG PRO 4 2HG PRO 4 1.615 -7.172 25.293 30 1HD PRO 4 1HD PRO 4 2.261 -8.070 22.591 31 2HD PRO 4 2HD PRO 4 1.924 -9.077 24.010 32 H VAL 5 H VAL 5 -2.848 -5.963 22.816 33 HA VAL 5 HA VAL 5 -2.772 -6.608 19.966 34 HB VAL 5 HB VAL 5 -4.689 -8.012 21.808 35 1HG1 VAL 5 1HG2 VAL 5 -4.061 -8.396 18.861 36 2HG1 VAL 5 2HG2 VAL 5 -4.927 -9.626 19.781 37 3HG1 VAL 5 3HG2 VAL 5 -5.611 -8.010 19.611 38 1HG2 VAL 5 1HG1 VAL 5 -1.938 -8.911 20.998 39 2HG2 VAL 5 2HG1 VAL 5 -2.805 -9.191 22.513 40 3HG2 VAL 5 3HG1 VAL 5 -3.183 -10.149 21.083 41 H ASP 6 H ASP 6 -3.625 -4.086 21.214 42 HA ASP 6 HA ASP 6 -4.657 -2.822 19.546 43 1HB ASP 6 2HB ASP 6 -3.502 -3.278 17.655 44 2HB ASP 6 1HB ASP 6 -2.721 -4.511 18.577 45 HA PRO 7 HA PRO 7 -6.985 -3.953 16.404 46 1HB PRO 7 1HB PRO 7 -7.438 -1.150 16.072 47 2HB PRO 7 2HB PRO 7 -8.644 -2.435 16.100 48 1HG PRO 7 1HG PRO 7 -8.113 -0.431 18.157 49 2HG PRO 7 2HG PRO 7 -9.414 -1.613 18.102 50 1HD PRO 7 1HD PRO 7 -7.016 -1.696 19.748 51 2HD PRO 7 2HD PRO 7 -8.332 -2.881 19.704 52 H CYS 8 H CYS 8 -5.797 -0.735 17.356 53 HA CYS 8 HA CYS 8 -3.902 -0.980 15.173 54 1HB CYS 8 2HB CYS 8 -5.365 1.081 15.614 55 2HB CYS 8 1HB CYS 8 -4.361 1.392 17.027 56 H PHE 9 H PHE 9 -3.734 -0.917 18.733 57 HA PHE 9 HA PHE 9 -1.149 -0.581 19.205 58 1HB PHE 9 2HB PHE 9 -3.155 -1.873 20.434 59 2HB PHE 9 1HB PHE 9 -2.208 -3.280 19.981 60 HD1 PHE 9 HD1 PHE 9 0.023 -3.779 20.794 61 HD2 PHE 9 HD2 PHE 9 -2.162 -0.248 22.127 62 HE1 PHE 9 HE1 PHE 9 1.646 -3.498 22.689 63 HE2 PHE 9 HE2 PHE 9 -0.539 0.036 24.031 64 HZ PHE 9 HZ PHE 9 1.364 -1.590 24.317 65 H ARG 10 H ARG 10 0.701 -2.121 19.318 66 HA ARG 10 HA ARG 10 2.027 -3.749 18.460 67 1HB ARG 10 2HB ARG 10 -0.476 -4.828 18.700 68 2HB ARG 10 1HB ARG 10 0.093 -5.423 17.142 69 1HG ARG 10 1HG ARG 10 1.194 -5.783 19.926 70 2HG ARG 10 2HG ARG 10 0.971 -6.914 18.645 71 1HD ARG 10 1HD ARG 10 3.210 -6.919 18.308 72 2HD ARG 10 2HD ARG 10 2.987 -5.316 17.577 73 HE ARG 10 HE ARG 10 3.148 -4.739 20.227 74 1HH1 ARG 10 2HH2 ARG 10 4.761 -7.509 19.011 75 2HH1 ARG 10 1HH2 ARG 10 6.265 -7.072 19.749 76 1HH2 ARG 10 2HH1 ARG 10 5.647 -3.996 20.625 77 2HH2 ARG 10 1HH1 ARG 10 6.532 -4.440 19.204 78 H ALA 11 H ALA 11 0.699 -1.635 16.602 79 HA ALA 11 HA ALA 11 -0.689 -3.128 14.854 80 1HB ALA 11 1HB ALA 11 -0.279 -0.805 13.246 81 2HB ALA 11 2HB ALA 11 -1.588 -1.099 14.377 82 3HB ALA 11 3HB ALA 11 -0.128 -0.270 14.920 83 H ASN 12 H ASN 12 2.997 -2.949 13.951 84 HA ASN 12 HA ASN 12 1.689 -0.492 13.245 85 1HB ASN 12 1HB ASN 12 4.652 -1.207 12.878 86 2HB ASN 12 2HB ASN 12 3.982 0.414 13.049 87 1HD2 ASN 12 1HD2 ASN 12 3.713 1.279 14.983 88 2HD2 ASN 12 2HD2 ASN 12 4.433 0.535 16.398 89 H CYS 13 H CYS 13 0.412 -1.374 11.191 90 HA CYS 13 HA CYS 13 0.711 -0.461 8.942 91 1HB CYS 13 1HB CYS 13 0.437 1.659 11.146 92 2HB CYS 13 2HB CYS 13 -0.126 1.814 9.478 93 H GLU 14 H GLU 14 2.619 -0.572 7.926 94 HA GLU 14 HA GLU 14 4.764 0.934 7.764 95 1HB GLU 14 1HB GLU 14 3.538 -0.172 5.808 96 2HB GLU 14 2HB GLU 14 2.660 1.316 5.615 97 1HG GLU 14 1HG GLU 14 5.697 1.378 5.698 98 2HG GLU 14 2HG GLU 14 4.870 0.924 4.211 99 H TYR 15 H TYR 15 2.701 3.080 5.928 100 HA TYR 15 HA TYR 15 2.506 5.131 7.799 101 1HB TYR 15 2HB TYR 15 1.549 4.924 5.364 102 2HB TYR 15 1HB TYR 15 0.089 4.311 6.128 103 HD1 TYR 15 HD1 TYR 15 0.224 6.847 4.458 104 HD2 TYR 15 HD2 TYR 15 0.836 6.233 8.733 105 HE1 TYR 15 HE1 TYR 15 -0.503 9.212 4.901 106 HE2 TYR 15 HE2 TYR 15 0.098 8.591 9.179 107 HH TYR 15 HH TYR 15 -1.328 10.392 7.944 108 H GLN 16 H GLN 16 -0.509 4.669 7.716 109 HA GLN 16 HA GLN 16 -0.408 3.643 10.509 110 1HB GLN 16 1HB GLN 16 -0.955 6.160 9.820 111 2HB GLN 16 2HB GLN 16 -2.589 5.524 9.619 112 1HG GLN 16 1HG GLN 16 -2.164 4.492 12.039 113 2HG GLN 16 2HG GLN 16 -0.861 5.662 12.132 114 1HE2 GLN 16 1HE2 GLN 16 -4.523 5.776 11.185 115 2HE2 GLN 16 2HE2 GLN 16 -4.590 6.083 12.911 116 H CYS 17 H CYS 17 -3.175 4.161 10.785 117 HA CYS 17 HA CYS 17 -3.711 1.262 10.468 118 1HB CYS 17 1HB CYS 17 -3.999 3.248 12.644 119 2HB CYS 17 2HB CYS 17 -5.376 2.174 12.546 120 H GLN 18 H GLN 18 -5.856 0.673 9.064 121 HA GLN 18 HA GLN 18 -7.810 2.056 10.751 122 1HB GLN 18 2HB GLN 18 -8.080 0.976 8.303 123 2HB GLN 18 1HB GLN 18 -8.512 -0.452 9.254 124 1HG GLN 18 1HG GLN 18 -10.518 0.927 8.670 125 2HG GLN 18 2HG GLN 18 -10.280 0.854 10.409 126 1HE2 GLN 18 2HE2 GLN 18 -8.198 2.729 8.286 127 2HE2 GLN 18 1HE2 GLN 18 -8.489 4.267 9.075 128 HA PRO 19 HA PRO 19 -8.728 -1.764 12.934 129 1HB PRO 19 1HB PRO 19 -10.920 -0.291 14.168 130 2HB PRO 19 2HB PRO 19 -9.595 -1.110 14.977 131 1HG PRO 19 1HG PRO 19 -9.956 1.711 14.758 132 2HG PRO 19 2HG PRO 19 -8.527 0.880 15.377 133 1HD PRO 19 1HD PRO 19 -8.885 2.222 12.762 134 2HD PRO 19 2HD PRO 19 -7.384 1.687 13.537 135 H LEU 20 H LEU 20 -9.888 -1.948 10.186 136 HA LEU 20 HA LEU 20 -10.342 -4.111 10.781 137 1HB LEU 20 1HB LEU 20 -9.848 -4.505 12.964 138 2HB LEU 20 2HB LEU 20 -10.272 -2.884 13.432 139 HG LEU 20 HG LEU 20 -12.341 -4.962 12.939 140 1HD1 LEU 20 1HD2 LEU 20 -12.196 -5.814 15.137 141 2HD1 LEU 20 2HD2 LEU 20 -10.499 -5.614 14.698 142 3HD1 LEU 20 3HD2 LEU 20 -11.292 -4.419 15.726 143 1HD2 LEU 20 1HD1 LEU 20 -12.383 -2.189 13.768 144 2HD2 LEU 20 2HD1 LEU 20 -13.748 -3.254 13.436 145 3HD2 LEU 20 3HD1 LEU 20 -13.057 -3.186 15.058 146 H ASN 21 H ASN 21 -12.320 -1.975 11.948 147 HA ASN 21 HA ASN 21 -14.984 -2.160 11.680 148 1HB ASN 21 1HB ASN 21 -13.296 -0.300 10.036 149 2HB ASN 21 2HB ASN 21 -14.986 -0.469 9.509 150 1HD2 ASN 21 HD2 ASN 21 -15.700 1.504 10.107 151 H GLN 22 H GLN 22 -14.286 -1.604 8.306 152 HA GLN 22 HA GLN 22 -15.543 -3.903 7.334 153 1HB GLN 22 1HB GLN 22 -13.697 -1.883 6.325 154 2HB GLN 22 2HB GLN 22 -13.184 -3.445 5.735 155 1HG GLN 22 1HG GLN 22 -15.847 -3.682 5.213 156 2HG GLN 22 2HG GLN 22 -15.709 -1.930 5.124 157 1HE2 GLN 22 1HE2 GLN 22 -16.036 -3.909 2.659 158 2HE2 GLN 22 2HE2 GLN 22 -15.548 -2.349 2.021 159 H THR 23 H THR 23 -12.365 -3.514 8.861 160 HA THR 23 HA THR 23 -11.536 -5.271 6.691 161 HB THR 23 HB THR 23 -9.744 -3.501 8.404 162 HG1 THR 23 HG1 THR 23 -10.867 -2.006 7.651 163 1HG2 THR 23 1HG2 THR 23 -9.443 -4.847 5.701 164 2HG2 THR 23 2HG2 THR 23 -8.606 -3.321 5.998 165 3HG2 THR 23 3HG2 THR 23 -8.267 -4.729 7.012 166 H SER 24 H SER 24 -11.742 -5.432 9.849 167 HA SER 24 HA SER 24 -10.518 -5.878 11.649 168 1HB SER 24 1HB SER 24 -9.969 -8.139 12.139 169 2HB SER 24 2HB SER 24 -11.436 -8.128 11.173 170 HG SER 24 HG SER 24 -10.441 -9.058 9.613 171 H TYR 25 H TYR 25 -8.566 -5.775 12.461 172 HA TYR 25 HA TYR 25 -8.490 -3.494 11.057 173 1HB TYR 25 2HB TYR 25 -6.904 -2.547 12.786 174 2HB TYR 25 1HB TYR 25 -8.024 -3.678 13.541 175 HD1 TYR 25 HD1 TYR 25 -4.517 -2.945 12.790 176 HD2 TYR 25 HD2 TYR 25 -7.277 -6.098 13.998 177 HE1 TYR 25 HE1 TYR 25 -2.572 -4.381 13.479 178 HE2 TYR 25 HE2 TYR 25 -5.330 -7.554 14.652 179 HH TYR 25 HH TYR 25 -1.947 -6.350 14.465 180 H LEU 26 H LEU 26 -7.287 -2.288 10.140 181 HA LEU 26 HA LEU 26 -5.340 -3.664 8.430 182 1HB LEU 26 2HB LEU 26 -6.771 -3.218 6.766 183 2HB LEU 26 1HB LEU 26 -7.907 -2.833 8.060 184 HG LEU 26 HG LEU 26 -6.755 -0.424 7.827 185 1HD1 LEU 26 1HD2 LEU 26 -5.486 -1.717 5.715 186 2HD1 LEU 26 2HD2 LEU 26 -6.828 -0.907 4.912 187 3HD1 LEU 26 3HD2 LEU 26 -5.685 0.032 5.866 188 1HD2 LEU 26 1HD1 LEU 26 -8.852 -1.330 5.809 189 2HD2 LEU 26 2HD1 LEU 26 -9.215 -1.135 7.520 190 3HD2 LEU 26 3HD1 LEU 26 -8.705 0.255 6.558 191 H CYS 27 H CYS 27 -4.288 -1.816 6.791 192 HA CYS 27 HA CYS 27 -3.612 0.471 8.542 193 1HB CYS 27 1HB CYS 27 -1.560 -1.208 7.090 194 2HB CYS 27 2HB CYS 27 -1.200 0.368 7.805 195 H VAL 28 H VAL 28 -3.582 2.263 7.712 196 HA VAL 28 HA VAL 28 -4.508 2.569 4.964 197 HB VAL 28 HB VAL 28 -3.803 5.118 5.745 198 1HG1 VAL 28 1HG2 VAL 28 -6.007 4.426 4.825 199 2HG1 VAL 28 2HG2 VAL 28 -6.461 3.773 6.402 200 3HG1 VAL 28 3HG2 VAL 28 -6.191 5.505 6.208 201 1HG2 VAL 28 1HG1 VAL 28 -4.636 5.376 8.134 202 2HG2 VAL 28 2HG1 VAL 28 -4.515 3.622 8.290 203 3HG2 VAL 28 3HG1 VAL 28 -3.071 4.573 7.948 204 H CYS 29 H CYS 29 -2.934 3.620 3.151 205 HA CYS 29 HA CYS 29 -1.059 5.164 4.740 206 1HB CYS 29 1HB CYS 29 -1.283 4.117 1.998 207 2HB CYS 29 2HB CYS 29 -0.335 5.571 2.097 208 H ALA 30 H ALA 30 -0.913 7.107 2.610 209 HA ALA 30 HA ALA 30 -2.672 9.061 3.120 210 1HB ALA 30 1HB ALA 30 -1.930 10.200 1.109 211 2HB ALA 30 2HB ALA 30 -0.590 9.202 1.681 212 3HB ALA 30 3HB ALA 30 -1.565 8.670 0.309 213 H GLU 31 H GLU 31 -4.730 6.971 2.876 214 HA GLU 31 HA GLU 31 -4.062 5.409 0.920 215 1HB GLU 31 1HB GLU 31 -5.725 4.259 1.907 216 2HB GLU 31 2HB GLU 31 -6.274 5.706 2.683 217 1HG GLU 31 1HG GLU 31 -7.702 6.250 0.681 218 2HG GLU 31 2HG GLU 31 -7.241 4.703 -0.025 219 H GLY 32 H GLY 32 -5.732 4.693 -1.156 220 1HA GLY 32 1HA GLY 32 -5.244 5.539 -3.349 221 2HA GLY 32 2HA GLY 32 -4.359 6.903 -2.613 222 H PHE 33 H PHE 33 -3.099 5.643 -0.926 223 HA PHE 33 HA PHE 33 -1.218 3.577 -1.981 224 1HB PHE 33 2HB PHE 33 -1.003 5.933 -0.121 225 2HB PHE 33 1HB PHE 33 -0.118 4.523 0.447 226 HD1 PHE 33 HD1 PHE 33 -0.355 7.103 -2.166 227 HD2 PHE 33 HD2 PHE 33 1.787 3.553 -0.811 228 HE1 PHE 33 HE1 PHE 33 1.611 7.741 -3.605 229 HE2 PHE 33 HE2 PHE 33 3.748 4.186 -2.250 230 HZ PHE 33 HZ PHE 33 3.669 6.288 -3.637 231 H ALA 34 H ALA 34 -1.497 1.597 -1.382 232 HA ALA 34 HA ALA 34 -2.801 0.762 0.986 233 1HB ALA 34 1HB ALA 34 -5.006 0.072 -0.474 234 2HB ALA 34 2HB ALA 34 -4.914 1.630 0.351 235 3HB ALA 34 3HB ALA 34 -4.548 1.517 -1.371 236 HA PRO 35 HA PRO 35 -1.047 -2.338 0.967 237 1HB PRO 35 1HB PRO 35 -2.731 -4.706 0.765 238 2HB PRO 35 2HB PRO 35 -2.137 -3.916 2.220 239 1HG PRO 35 1HG PRO 35 -4.827 -3.855 1.181 240 2HG PRO 35 2HG PRO 35 -4.219 -3.013 2.599 241 1HD PRO 35 2HD PRO 35 -4.929 -1.858 0.026 242 2HD PRO 35 1HD PRO 35 -4.335 -1.007 1.462 243 H ILE 36 H ILE 36 0.090 -1.987 -1.019 244 HA ILE 36 HA ILE 36 0.292 -3.586 -3.107 245 HB ILE 36 HB ILE 36 2.061 -2.397 -2.976 246 1HG1 ILE 36 1HG1 ILE 36 2.706 -5.045 -2.941 247 2HG1 ILE 36 2HG1 ILE 36 3.733 -3.718 -3.416 248 1HG2 ILE 36 1HG2 ILE 36 3.500 -1.986 -0.928 249 2HG2 ILE 36 2HG2 ILE 36 1.817 -1.487 -0.761 250 3HG2 ILE 36 3HG2 ILE 36 2.349 -2.926 0.005 251 1HD1 ILE 36 1HD1 ILE 36 4.570 -5.373 -1.567 252 2HD1 ILE 36 2HD1 ILE 36 4.860 -3.625 -1.385 253 3HD1 ILE 36 3HD1 ILE 36 3.539 -4.365 -0.523 254 HA PRO 37 HA PRO 37 2.983 -6.551 -1.699 255 1HB PRO 37 1HB PRO 37 3.493 -7.348 0.960 256 2HB PRO 37 2HB PRO 37 4.217 -6.006 0.265 257 1HG PRO 37 1HG PRO 37 2.162 -5.858 2.329 258 2HG PRO 37 2HG PRO 37 2.961 -4.519 1.504 259 1HD PRO 37 1HD PRO 37 0.265 -5.654 1.038 260 2HD PRO 37 2HD PRO 37 0.866 -4.067 0.591 261 H HIS 38 H HIS 38 3.352 -9.213 -1.207 262 HA HIS 38 HA HIS 38 2.549 -10.778 0.440 263 1HB HIS 38 1HB HIS 38 3.890 -8.809 2.265 264 2HB HIS 38 2HB HIS 38 4.196 -10.535 2.062 265 HD1 HIS 38 HD1 HIS 38 4.657 -10.083 -1.308 266 HD2 HIS 38 HD2 HIS 38 6.567 -8.338 2.041 267 HE1 HIS 38 HE1 HIS 38 6.928 -9.206 -2.141 268 H GLU 39 H GLU 39 2.082 -7.671 1.394 269 HA GLU 39 HA GLU 39 1.402 -8.940 3.981 270 1HB GLU 39 2HB GLU 39 3.479 -7.034 3.185 271 2HB GLU 39 1HB GLU 39 2.615 -6.426 4.608 272 1HG GLU 39 2HG GLU 39 3.100 -9.235 4.974 273 2HG GLU 39 1HG GLU 39 4.599 -8.519 4.414 274 HA PRO 40 HA PRO 40 -1.675 -5.858 5.212 275 1HB PRO 40 1HB PRO 40 -1.207 -6.739 7.932 276 2HB PRO 40 2HB PRO 40 -2.649 -7.001 6.960 277 1HG PRO 40 1HG PRO 40 -0.649 -8.959 7.699 278 2HG PRO 40 2HG PRO 40 -2.084 -9.219 6.717 279 1HD PRO 40 1HD PRO 40 0.689 -9.064 5.831 280 2HD PRO 40 2HD PRO 40 -0.741 -9.405 4.840 281 H HIS 41 H HIS 41 0.768 -4.441 4.645 282 HA HIS 41 HA HIS 41 -0.817 -2.978 6.562 283 1HB HIS 41 2HB HIS 41 1.356 -1.618 7.232 284 2HB HIS 41 1HB HIS 41 0.965 -3.107 8.080 285 HD1 HIS 41 HD1 HIS 41 2.184 -5.277 5.986 286 HD2 HIS 41 HD2 HIS 41 3.949 -1.613 7.118 287 HE1 HIS 41 HE1 HIS 41 4.695 -5.574 5.637 288 H ARG 42 H ARG 42 1.629 -2.902 4.481 289 HA ARG 42 HA ARG 42 2.009 -0.252 3.847 290 1HB ARG 42 2HB ARG 42 2.286 -2.596 1.949 291 2HB ARG 42 1HB ARG 42 3.078 -1.114 1.610 292 1HG ARG 42 2HG ARG 42 4.626 -1.357 3.345 293 2HG ARG 42 1HG ARG 42 3.493 -2.263 4.334 294 1HD ARG 42 2HD ARG 42 3.985 -4.320 3.178 295 2HD ARG 42 1HD ARG 42 4.665 -3.481 1.775 296 HE ARG 42 HE ARG 42 6.081 -3.172 4.331 297 1HH1 ARG 42 1HH2 ARG 42 5.632 -4.927 1.270 298 2HH1 ARG 42 2HH2 ARG 42 7.106 -5.800 1.527 299 1HH2 ARG 42 2HH1 ARG 42 8.544 -3.108 2.681 300 2HH2 ARG 42 1HH1 ARG 42 8.651 -4.632 3.496 301 H CYS 43 H CYS 43 1.917 0.519 1.748 302 HA CYS 43 HA CYS 43 -0.714 0.353 0.491 303 1HB CYS 43 2HB CYS 43 0.065 2.737 -0.233 304 2HB CYS 43 1HB CYS 43 -0.646 2.341 1.364 305 H GLN 44 H GLN 44 2.403 0.784 -0.176 306 HA GLN 44 HA GLN 44 3.309 2.090 -2.114 307 1HB GLN 44 1HB GLN 44 4.537 0.050 -1.854 308 2HB GLN 44 2HB GLN 44 3.280 -0.894 -2.582 309 1HG GLN 44 1HG GLN 44 3.821 0.774 -4.692 310 2HG GLN 44 2HG GLN 44 5.388 0.799 -3.892 311 1HE2 GLN 44 1HE2 GLN 44 2.812 -1.364 -5.034 312 2HE2 GLN 44 2HE2 GLN 44 3.737 -2.854 -4.945 313 H MET 45 H MET 45 2.749 3.125 -3.866 314 HA MET 45 HA MET 45 0.195 3.792 -3.471 315 1HB MET 45 1HB MET 45 0.034 4.701 -5.909 316 2HB MET 45 2HB MET 45 1.377 5.278 -4.959 317 1HG MET 45 1HG MET 45 2.818 4.492 -6.524 318 2HG MET 45 2HG MET 45 2.258 2.856 -6.262 319 1HE MET 45 1HE MET 45 2.366 1.961 -8.934 320 2HE MET 45 2HE MET 45 2.374 3.283 -10.109 321 3HE MET 45 3HE MET 45 3.440 3.352 -8.696 322 H PHE 46 H PHE 46 -1.742 2.706 -3.452 323 HA PHE 46 HA PHE 46 -2.002 0.241 -3.676 324 1HB PHE 46 1HB PHE 46 -4.143 0.854 -3.225 325 2HB PHE 46 2HB PHE 46 -3.732 2.458 -3.679 326 HD1 PHE 46 HD1 PHE 46 -4.804 3.596 -5.407 327 HD2 PHE 46 HD2 PHE 46 -4.995 -0.761 -5.242 328 HE1 PHE 46 HE1 PHE 46 -6.491 3.596 -7.272 329 HE2 PHE 46 HE2 PHE 46 -6.681 -0.761 -7.093 330 HZ PHE 46 HZ PHE 46 -7.437 1.415 -8.111 331 H CYS 47 H CYS 47 -0.819 -1.016 -4.991 332 HA CYS 47 HA CYS 47 -0.599 0.224 -7.671 333 1HB CYS 47 2HB CYS 47 1.517 0.504 -6.697 334 2HB CYS 47 1HB CYS 47 1.421 -0.975 -5.770 335 H ASN 48 H ASN 48 -2.038 -1.434 -9.144 336 HA ASN 48 HA ASN 48 -3.149 -2.021 -6.679 337 1HB ASN 48 2HB ASN 48 -4.679 -1.630 -8.506 338 2HB ASN 48 1HB ASN 48 -3.920 -2.853 -9.517 339 1HD2 ASN 48 HD2 ASN 48 -5.846 -2.613 -6.344 340 H GLN 49 H GLN 49 -3.611 -5.359 -8.333 341 HA GLN 49 HA GLN 49 -1.180 -4.163 -9.340 342 1HB GLN 49 2HB GLN 49 0.335 -5.983 -8.989 343 2HB GLN 49 1HB GLN 49 -0.495 -5.840 -7.458 344 1HG GLN 49 2HG GLN 49 -1.320 -7.809 -9.656 345 2HG GLN 49 1HG GLN 49 -0.313 -8.229 -8.275 346 1HE2 GLN 49 1HE2 GLN 49 -1.672 -6.816 -6.104 347 2HE2 GLN 49 2HE2 GLN 49 -2.395 -8.391 -5.835 348 H THR 50 H THR 50 -1.366 -4.154 -11.501 349 HA THR 50 HA THR 50 -1.942 -6.864 -12.549 350 HB THR 50 HB THR 50 -2.500 -4.122 -13.760 351 HG1 THR 50 HG1 THR 50 -4.495 -4.893 -13.874 352 1HG2 THR 50 1HG2 THR 50 -1.736 -5.025 -15.760 353 2HG2 THR 50 2HG2 THR 50 -3.325 -5.789 -15.751 354 3HG2 THR 50 3HG2 THR 50 -1.910 -6.690 -15.204 355 H ALA 51 H ALA 51 0.576 -6.997 -11.862 356 HA ALA 51 HA ALA 51 2.211 -5.489 -11.219 357 1HB ALA 51 1HB ALA 51 2.799 -5.537 -14.230 358 2HB ALA 51 2HB ALA 51 3.078 -6.940 -13.193 359 3HB ALA 51 3HB ALA 51 3.969 -5.444 -12.915 360 H CYS 52 H CYS 52 2.645 -3.433 -10.810 361 HA CYS 52 HA CYS 52 1.406 -1.311 -12.228 362 1HB CYS 52 2HB CYS 52 3.715 -1.586 -10.317 363 2HB CYS 52 1HB CYS 52 3.625 -0.090 -11.219 364 HA PRO 53 HA PRO 53 5.091 0.349 -12.484 365 1HB PRO 53 2HB PRO 53 7.567 -0.784 -13.498 366 2HB PRO 53 1HB PRO 53 7.191 -0.328 -11.840 367 1HG PRO 53 2HG PRO 53 7.405 -2.999 -12.902 368 2HG PRO 53 1HG PRO 53 6.961 -2.536 -11.263 369 1HD PRO 53 2HD PRO 53 5.207 -3.578 -13.352 370 2HD PRO 53 1HD PRO 53 4.790 -3.190 -11.675 371 H ALA 54 H ALA 54 6.136 1.843 -13.741 372 HA ALA 54 HA ALA 54 4.277 2.239 -15.590 373 1HB ALA 54 1HB ALA 54 5.941 4.101 -16.571 374 2HB ALA 54 2HB ALA 54 6.914 3.649 -15.173 375 3HB ALA 54 3HB ALA 54 5.272 4.253 -14.947 376 H ASP 55 H ASP 55 4.362 2.557 -18.236 377 HA ASP 55 HA ASP 55 7.104 3.377 -18.262 378 1HB ASP 55 1HB ASP 55 6.648 1.130 -19.660 379 2HB ASP 55 2HB ASP 55 5.937 2.244 -20.816 380 H CYS 56 H CYS 56 5.112 5.526 -17.809 381 HA CYS 56 HA CYS 56 3.355 3.744 -17.887 382 1HB CYS 56 1HB CYS 56 2.256 6.489 -18.295 383 2HB CYS 56 2HB CYS 56 2.106 5.366 -16.930 384 H ASP 57 H ASP 57 0.815 4.040 -19.350 385 HA ASP 57 HA ASP 57 2.557 1.955 -19.176 386 1HB ASP 57 1HB ASP 57 0.132 1.585 -18.992 387 2HB ASP 57 2HB ASP 57 -0.093 1.878 -20.720 388 HA PRO 58 HA PRO 58 2.783 3.839 -23.313 389 1HB PRO 58 2HB PRO 58 0.549 3.498 -25.043 390 2HB PRO 58 1HB PRO 58 2.173 2.896 -25.313 391 1HG PRO 58 2HG PRO 58 -0.217 1.355 -24.594 392 2HG PRO 58 1HG PRO 58 1.354 0.762 -25.121 393 1HD PRO 58 2HD PRO 58 0.283 0.823 -22.417 394 2HD PRO 58 1HD PRO 58 1.847 0.171 -22.938 395 H ASN 59 H ASN 59 -0.942 3.350 -23.043 396 HA ASN 59 HA ASN 59 -0.475 6.090 -23.835 397 1HB ASN 59 2HB ASN 59 -1.927 3.799 -24.863 398 2HB ASN 59 1HB ASN 59 -3.120 5.033 -24.466 399 1HD2 ASN 59 1HD2 ASN 59 -0.866 3.934 -26.773 400 2HD2 ASN 59 2HD2 ASN 59 -0.181 5.449 -27.333 401 H THR 60 H THR 60 -2.274 4.189 -21.906 402 HA THR 60 HA THR 60 -4.500 5.969 -22.586 403 HB THR 60 HB THR 60 -4.672 3.946 -23.731 404 HG1 THR 60 HG1 THR 60 -6.499 3.776 -21.628 405 1HG2 THR 60 1HG2 THR 60 -4.772 1.783 -22.541 406 2HG2 THR 60 2HG2 THR 60 -4.604 2.638 -20.988 407 3HG2 THR 60 3HG2 THR 60 -3.269 2.651 -22.157 408 H GLN 61 H GLN 61 -3.233 6.210 -19.845 409 HA GLN 61 HA GLN 61 -4.849 4.187 -18.435 410 1HB GLN 61 2HB GLN 61 -1.823 4.673 -18.530 411 2HB GLN 61 1HB GLN 61 -2.509 3.642 -17.302 412 1HG GLN 61 2HG GLN 61 -2.828 3.212 -20.303 413 2HG GLN 61 1HG GLN 61 -1.672 2.361 -19.289 414 1HE2 GLN 61 2HE2 GLN 61 -2.832 0.343 -19.993 415 2HE2 GLN 61 1HE2 GLN 61 -4.586 0.321 -19.976 416 H ALA 62 H ALA 62 -4.269 7.294 -17.957 417 HA ALA 62 HA ALA 62 -1.771 7.265 -17.558 418 1HB ALA 62 1HB ALA 62 -3.431 8.877 -15.538 419 2HB ALA 62 2HB ALA 62 -2.735 9.461 -17.049 420 3HB ALA 62 3HB ALA 62 -1.686 9.085 -15.683 421 H SER 63 H SER 63 -1.116 5.245 -17.033 422 HA SER 63 HA SER 63 -1.175 4.594 -14.141 423 1HB SER 63 2HB SER 63 -2.050 2.736 -15.597 424 2HB SER 63 1HB SER 63 -0.551 2.778 -16.547 425 HG SER 63 HG SER 63 -0.272 2.520 -13.847 426 H CYS 64 H CYS 64 0.725 6.628 -15.065 427 HA CYS 64 HA CYS 64 2.348 4.904 -13.285 428 1HB CYS 64 2HB CYS 64 3.250 7.584 -12.941 429 2HB CYS 64 1HB CYS 64 4.064 6.336 -13.847 430 H GLU 65 H GLU 65 0.765 4.408 -11.829 431 HA GLU 65 HA GLU 65 -1.116 6.426 -11.067 432 1HB GLU 65 1HB GLU 65 -0.953 3.630 -11.043 433 2HB GLU 65 2HB GLU 65 -0.904 4.011 -9.344 434 1HG GLU 65 2HG GLU 65 -3.044 4.958 -9.301 435 2HG GLU 65 1HG GLU 65 -2.999 5.397 -11.007 436 H CYS 66 H CYS 66 1.828 6.522 -10.224 437 HA CYS 66 HA CYS 66 2.057 6.046 -7.492 438 1HB CYS 66 1HB CYS 66 3.523 7.278 -9.799 439 2HB CYS 66 2HB CYS 66 3.943 8.034 -8.361 440 HA PRO 67 HA PRO 67 1.022 10.304 -5.877 441 1HB PRO 67 1HB PRO 67 3.819 11.245 -5.825 442 2HB PRO 67 2HB PRO 67 2.680 11.047 -4.475 443 1HG PRO 67 2HG PRO 67 4.888 9.335 -5.115 444 2HG PRO 67 1HG PRO 67 3.654 9.048 -3.895 445 1HD PRO 67 2HD PRO 67 3.996 7.678 -6.427 446 2HD PRO 67 1HD PRO 67 2.765 7.358 -5.205 447 H GLU 68 H GLU 68 1.387 12.578 -6.460 448 HA GLU 68 HA GLU 68 0.018 12.578 -8.729 449 1HB GLU 68 2HB GLU 68 0.502 15.106 -8.908 450 2HB GLU 68 1HB GLU 68 -0.099 14.543 -7.367 451 1HG GLU 68 2HG GLU 68 2.192 14.549 -6.419 452 2HG GLU 68 1HG GLU 68 2.872 14.959 -7.989 453 H GLY 69 H GLY 69 0.945 11.395 -10.450 454 1HA GLY 69 1HA GLY 69 2.158 11.300 -12.445 455 2HA GLY 69 2HA GLY 69 2.849 12.904 -12.049 456 H TYR 70 H TYR 70 4.029 11.237 -9.166 457 HA TYR 70 HA TYR 70 4.824 13.666 -9.850 458 1HB TYR 70 2HB TYR 70 5.725 11.749 -8.018 459 2HB TYR 70 1HB TYR 70 7.185 12.136 -8.894 460 HD1 TYR 70 HD1 TYR 70 8.346 14.229 -8.573 461 HD2 TYR 70 HD2 TYR 70 4.371 13.613 -6.898 462 HE1 TYR 70 HE1 TYR 70 8.588 16.344 -7.229 463 HE2 TYR 70 HE2 TYR 70 4.608 15.728 -5.551 464 HH TYR 70 HH TYR 70 6.817 17.136 -4.642 465 H ILE 71 H ILE 71 6.666 14.742 -10.953 466 HA ILE 71 HA ILE 71 8.257 13.542 -12.854 467 HB ILE 71 HB ILE 71 8.386 15.805 -11.218 468 1HG1 ILE 71 1HG1 ILE 71 9.050 15.129 -13.769 469 2HG1 ILE 71 2HG1 ILE 71 9.340 16.690 -13.039 470 1HG2 ILE 71 1HG2 ILE 71 9.964 14.559 -9.683 471 2HG2 ILE 71 2HG2 ILE 71 10.653 16.017 -10.398 472 3HG2 ILE 71 3HG2 ILE 71 11.094 14.431 -11.031 473 1HD1 ILE 71 1HD1 ILE 71 11.373 14.397 -13.038 474 2HD1 ILE 71 2HD1 ILE 71 11.655 16.030 -12.430 475 3HD1 ILE 71 3HD1 ILE 71 11.398 15.763 -14.153 476 H LEU 72 H LEU 72 10.819 11.902 -11.886 477 HA LEU 72 HA LEU 72 10.075 9.935 -12.772 478 1HB LEU 72 2HB LEU 72 9.318 10.309 -10.076 479 2HB LEU 72 1HB LEU 72 7.777 9.919 -10.806 480 HG LEU 72 HG LEU 72 9.845 8.202 -9.903 481 1HD1 LEU 72 1HD1 LEU 72 7.009 8.087 -10.643 482 2HD1 LEU 72 2HD1 LEU 72 7.886 7.210 -9.387 483 3HD1 LEU 72 3HD1 LEU 72 7.863 6.595 -11.040 484 1HD2 LEU 72 1HD2 LEU 72 10.847 8.228 -12.096 485 2HD2 LEU 72 2HD2 LEU 72 9.284 7.936 -12.866 486 3HD2 LEU 72 3HD2 LEU 72 10.017 6.675 -11.872 487 H ASP 73 H ASP 73 7.299 8.775 -12.699 488 HA ASP 73 HA ASP 73 6.226 8.645 -14.853 489 1HB ASP 73 2HB ASP 73 8.366 10.715 -15.572 490 2HB ASP 73 1HB ASP 73 7.583 9.772 -16.826 491 H ASP 74 H ASP 74 6.532 6.863 -15.924 492 HA ASP 74 HA ASP 74 7.675 5.037 -16.809 493 1HB ASP 74 2HB ASP 74 7.959 6.661 -18.625 494 2HB ASP 74 1HB ASP 74 9.190 7.546 -17.731 495 H GLY 75 H GLY 75 8.672 4.844 -14.031 496 1HA GLY 75 2HA GLY 75 8.592 2.609 -15.391 497 2HA GLY 75 1HA GLY 75 10.214 3.138 -15.863 498 H PHE 76 H PHE 76 8.660 3.376 -13.008 499 HA PHE 76 HA PHE 76 10.486 1.599 -11.482 500 1HB PHE 76 2HB PHE 76 11.880 3.574 -12.141 501 2HB PHE 76 1HB PHE 76 10.754 4.653 -11.343 502 HD1 PHE 76 HD1 PHE 76 11.267 5.394 -9.179 503 HD2 PHE 76 HD2 PHE 76 12.795 1.544 -10.542 504 HE1 PHE 76 HE1 PHE 76 12.535 5.138 -7.023 505 HE2 PHE 76 HE2 PHE 76 14.075 1.289 -8.392 506 HZ PHE 76 HZ PHE 76 13.953 3.089 -6.632 507 H ILE 77 H ILE 77 7.497 1.954 -11.341 508 HA ILE 77 HA ILE 77 7.536 4.550 -11.069 509 HB ILE 77 HB ILE 77 4.982 3.274 -10.235 510 1HG1 ILE 77 2HG1 ILE 77 5.928 3.495 -13.100 511 2HG1 ILE 77 1HG1 ILE 77 6.089 2.034 -12.161 512 1HG2 ILE 77 1HG2 ILE 77 5.670 5.891 -10.724 513 2HG2 ILE 77 2HG2 ILE 77 4.042 5.249 -11.020 514 3HG2 ILE 77 3HG2 ILE 77 5.206 5.376 -12.343 515 1HD1 ILE 77 1HD1 ILE 77 3.701 1.747 -11.980 516 2HD1 ILE 77 2HD1 ILE 77 3.910 2.322 -13.633 517 3HD1 ILE 77 3HD1 ILE 77 3.389 3.435 -12.371 518 H CYS 78 H CYS 78 6.047 2.584 -8.976 519 HA CYS 78 HA CYS 78 7.327 3.739 -6.559 520 1HB CYS 78 2HB CYS 78 4.322 3.216 -6.793 521 2HB CYS 78 1HB CYS 78 5.100 3.440 -5.244 522 H THR 79 H THR 79 4.884 0.895 -7.056 523 HA THR 79 HA THR 79 6.563 0.182 -8.953 524 HB THR 79 HB THR 79 8.199 -1.519 -7.897 525 HG1 THR 79 HG1 THR 79 8.470 -1.513 -5.836 526 1HG2 THR 79 1HG2 THR 79 9.316 0.825 -6.675 527 2HG2 THR 79 2HG2 THR 79 8.404 1.357 -8.091 528 3HG2 THR 79 3HG2 THR 79 9.688 0.161 -8.269 529 H ASP 80 H ASP 80 6.140 -2.104 -9.834 530 HA ASP 80 HA ASP 80 5.645 -3.801 -7.456 531 1HB ASP 80 1HB ASP 80 4.191 -3.907 -9.748 532 2HB ASP 80 2HB ASP 80 5.517 -4.965 -10.254 533 H ILE 81 H ILE 81 7.952 -3.317 -10.293 534 HA ILE 81 HA ILE 81 8.107 -5.236 -11.624 535 HB ILE 81 HB ILE 81 10.111 -5.958 -9.468 536 1HG1 ILE 81 2HG1 ILE 81 10.059 -3.502 -11.223 537 2HG1 ILE 81 1HG1 ILE 81 10.362 -3.616 -9.507 538 1HG2 ILE 81 1HG2 ILE 81 11.004 -7.257 -11.079 539 2HG2 ILE 81 2HG2 ILE 81 11.165 -5.869 -12.161 540 3HG2 ILE 81 3HG2 ILE 81 9.677 -6.814 -12.150 541 1HD1 ILE 81 1HD1 ILE 81 12.597 -3.639 -9.955 542 2HD1 ILE 81 2HD1 ILE 81 12.285 -3.709 -11.688 543 3HD1 ILE 81 3HD1 ILE 81 12.403 -5.201 -10.749 544 H ASP 82 H ASP 82 9.198 -7.778 -10.965 545 HA ASP 82 HA ASP 82 6.949 -9.198 -10.053 546 1HB ASP 82 1HB ASP 82 9.170 -10.026 -11.262 547 2HB ASP 82 2HB ASP 82 9.806 -10.205 -9.632 548 H GLU 83 H GLU 83 9.423 -7.419 -7.949 549 HA GLU 83 HA GLU 83 10.439 -10.003 -7.756 550 1HB GLU 83 1HB GLU 83 12.220 -8.956 -6.776 551 2HB GLU 83 2HB GLU 83 11.341 -7.480 -7.076 552 1HG GLU 83 1HG GLU 83 10.384 -7.531 -4.786 553 2HG GLU 83 2HG GLU 83 11.149 -9.086 -4.479 554 H1 NAG 121 H1 ASN 21 -15.153 2.206 12.934 555 H2 NAG 121 H2 ASN 21 -14.012 3.409 10.570 556 H3 NAG 121 H3 ASN 21 -14.558 5.828 11.168 557 H4 NAG 121 H4 ASN 21 -16.956 6.064 12.119 558 H5 NAG 121 H5 ASN 21 -16.510 3.757 13.882 559 1H6 NAG 121 1H6 ASN 21 -18.926 4.576 12.192 560 2H6 NAG 121 2H6 ASN 21 -18.606 5.152 13.828 561 1H8 NAG 121 1H8 ASN 21 -11.015 1.798 12.003 562 2H8 NAG 121 2H8 ASN 21 -12.726 1.499 12.358 563 3H8 NAG 121 3H8 ASN 21 -12.229 1.966 10.720 564 HN2 NAG 121 HN2 ASN 21 -13.704 4.250 13.390 565 HO4 NAG 121 HO4 ASN 21 -16.126 6.152 14.153 566 HO3 NAG 121 HO3 ASN 21 -15.447 4.529 9.440 567 HO6 NAG 121 H6 ASN 21 -19.232 2.601 12.933 568 H1 NAG 148 H1 ASN 48 -4.299 -4.796 -5.683 569 H2 NAG 148 H2 ASN 48 -6.902 -3.678 -4.622 570 H3 NAG 148 H3 ASN 48 -6.400 -5.501 -2.701 571 H4 NAG 148 H4 ASN 48 -6.029 -7.724 -3.790 572 H5 NAG 148 H5 ASN 48 -4.564 -7.202 -6.059 573 1H6 NAG 148 1H6 ASN 48 -7.422 -7.677 -6.667 574 2H6 NAG 148 2H6 ASN 48 -6.800 -8.732 -5.398 575 1H8 NAG 148 1H8 ASN 48 -3.369 -2.217 -2.564 576 2H8 NAG 148 2H8 ASN 48 -3.649 -0.984 -3.799 577 3H8 NAG 148 3H8 ASN 48 -4.391 -0.816 -2.195 578 HN2 NAG 148 HN2 ASN 48 -4.340 -4.058 -3.196 579 HO4 NAG 148 HO4 ASN 48 -3.773 -7.251 -4.227 580 HO3 NAG 148 HO3 ASN 48 -7.975 -6.801 -3.912 581 HO6 NAG 148 H6 ASN 48 -5.721 -8.322 -7.947 Start of MODEL 12 1 1H HIS 1 1H HIS 1 0.960 -10.857 28.340 2 2H HIS 1 2H HIS 1 1.034 -10.140 26.803 3 3H HIS 1 3H HIS 1 2.382 -10.972 27.417 4 HA HIS 1 HA HIS 1 1.262 -8.733 28.885 5 1HB HIS 1 1HB HIS 1 3.666 -8.424 29.524 6 2HB HIS 1 2HB HIS 1 3.051 -9.999 29.972 7 HD2 HIS 1 HD2 HIS 1 5.947 -10.325 29.823 8 HE1 HIS 1 HE1 HIS 1 5.822 -11.264 25.634 9 HE2 HIS 1 HE2 HIS 1 7.289 -11.362 27.748 10 H MET 2 H MET 2 0.589 -8.499 26.309 11 HA MET 2 HA MET 2 2.216 -6.077 25.857 12 1HB MET 2 2HB MET 2 1.061 -7.885 23.665 13 2HB MET 2 1HB MET 2 1.825 -6.341 23.362 14 1HG MET 2 1HG MET 2 3.911 -7.244 23.486 15 2HG MET 2 2HG MET 2 3.560 -8.030 25.016 16 1HE MET 2 1HE MET 2 5.355 -9.131 22.392 17 2HE MET 2 2HE MET 2 4.189 -8.216 21.421 18 3HE MET 2 3HE MET 2 4.367 -9.962 21.178 19 H GLU 3 H GLU 3 0.903 -4.171 25.015 20 HA GLU 3 HA GLU 3 -0.577 -3.506 23.428 21 1HB GLU 3 2HB GLU 3 -1.324 -5.087 21.837 22 2HB GLU 3 1HB GLU 3 0.060 -5.914 22.545 23 1HG GLU 3 1HG GLU 3 -1.432 -7.242 24.008 24 2HG GLU 3 2HG GLU 3 -2.838 -6.353 23.427 25 HA PRO 4 HA PRO 4 -4.838 -3.589 24.411 26 1HB PRO 4 1HB PRO 4 -4.798 -1.119 22.930 27 2HB PRO 4 2HB PRO 4 -5.299 -1.335 24.602 28 1HG PRO 4 1HG PRO 4 -2.877 -0.072 23.619 29 2HG PRO 4 2HG PRO 4 -3.408 -0.231 25.291 30 1HD PRO 4 2HD PRO 4 -1.294 -1.719 23.942 31 2HD PRO 4 1HD PRO 4 -1.781 -1.850 25.637 32 H VAL 5 H VAL 5 -6.270 -3.498 22.405 33 HA VAL 5 HA VAL 5 -4.490 -5.267 20.826 34 HB VAL 5 HB VAL 5 -7.354 -5.946 21.483 35 1HG1 VAL 5 1HG2 VAL 5 -6.895 -8.003 20.627 36 2HG1 VAL 5 2HG2 VAL 5 -5.478 -7.237 19.909 37 3HG1 VAL 5 3HG2 VAL 5 -5.333 -8.101 21.440 38 1HG2 VAL 5 1HG1 VAL 5 -6.645 -5.653 23.692 39 2HG2 VAL 5 2HG1 VAL 5 -6.222 -7.345 23.429 40 3HG2 VAL 5 3HG1 VAL 5 -4.976 -6.099 23.334 41 H ASP 6 H ASP 6 -5.990 -2.657 20.204 42 HA ASP 6 HA ASP 6 -8.181 -2.219 19.073 43 1HB ASP 6 2HB ASP 6 -5.687 -2.157 17.396 44 2HB ASP 6 1HB ASP 6 -7.224 -1.409 16.885 45 HA PRO 7 HA PRO 7 -6.979 -5.257 15.688 46 1HB PRO 7 1HB PRO 7 -7.147 -3.599 13.365 47 2HB PRO 7 2HB PRO 7 -8.130 -5.023 13.693 48 1HG PRO 7 1HG PRO 7 -8.955 -2.231 13.723 49 2HG PRO 7 2HG PRO 7 -9.962 -3.654 13.953 50 1HD PRO 7 1HD PRO 7 -9.010 -1.787 15.992 51 2HD PRO 7 2HD PRO 7 -10.098 -3.168 16.209 52 H CYS 8 H CYS 8 -6.818 -1.734 15.224 53 HA CYS 8 HA CYS 8 -4.609 -1.933 13.529 54 1HB CYS 8 2HB CYS 8 -5.629 0.161 13.331 55 2HB CYS 8 1HB CYS 8 -5.915 0.289 15.067 56 H PHE 9 H PHE 9 -4.676 -0.789 16.899 57 HA PHE 9 HA PHE 9 -2.443 0.277 17.417 58 1HB PHE 9 1HB PHE 9 -4.024 -0.622 19.170 59 2HB PHE 9 2HB PHE 9 -3.169 -2.171 19.040 60 HD1 PHE 9 HD1 PHE 9 -0.672 -2.289 19.611 61 HD2 PHE 9 HD2 PHE 9 -3.152 1.188 20.489 62 HE1 PHE 9 HE1 PHE 9 1.053 -1.475 21.252 63 HE2 PHE 9 HE2 PHE 9 -1.429 2.006 22.130 64 HZ PHE 9 HZ PHE 9 0.677 0.676 22.510 65 H ARG 10 H ARG 10 -2.594 -2.947 17.406 66 HA ARG 10 HA ARG 10 0.112 -3.617 17.961 67 1HB ARG 10 2HB ARG 10 -2.209 -5.079 17.638 68 2HB ARG 10 1HB ARG 10 -1.213 -5.695 16.306 69 1HG ARG 10 2HG ARG 10 0.538 -5.532 18.524 70 2HG ARG 10 1HG ARG 10 -0.948 -6.164 19.184 71 1HD ARG 10 1HD ARG 10 0.412 -7.305 16.674 72 2HD ARG 10 2HD ARG 10 0.621 -7.984 18.302 73 HE ARG 10 HE ARG 10 -1.704 -8.247 16.589 74 1HH1 ARG 10 2HH2 ARG 10 -0.209 -9.168 19.811 75 2HH1 ARG 10 1HH2 ARG 10 -1.120 -10.576 19.373 76 1HH2 ARG 10 1HH1 ARG 10 -3.452 -7.831 19.003 77 2HH2 ARG 10 2HH1 ARG 10 -3.619 -9.552 18.900 78 H ALA 11 H ALA 11 -0.639 -2.099 15.418 79 HA ALA 11 HA ALA 11 -1.210 -4.013 13.674 80 1HB ALA 11 1HB ALA 11 -1.082 -1.122 13.530 81 2HB ALA 11 2HB ALA 11 -0.699 -1.799 11.944 82 3HB ALA 11 3HB ALA 11 -2.213 -2.215 12.748 83 H ASN 12 H ASN 12 2.267 -3.475 14.156 84 HA ASN 12 HA ASN 12 2.262 -1.327 12.524 85 1HB ASN 12 1HB ASN 12 4.298 -3.020 13.713 86 2HB ASN 12 2HB ASN 12 4.834 -2.611 12.087 87 1HD2 ASN 12 2HD2 ASN 12 4.808 0.024 11.591 88 2HD2 ASN 12 1HD2 ASN 12 6.200 0.044 12.659 89 H CYS 13 H CYS 13 0.691 -2.702 10.371 90 HA CYS 13 HA CYS 13 1.474 -1.409 8.438 91 1HB CYS 13 1HB CYS 13 0.727 0.267 10.898 92 2HB CYS 13 2HB CYS 13 0.599 0.805 9.221 93 H GLU 14 H GLU 14 3.476 -1.407 7.784 94 HA GLU 14 HA GLU 14 5.680 -0.050 8.631 95 1HB GLU 14 1HB GLU 14 5.741 -0.850 6.390 96 2HB GLU 14 2HB GLU 14 4.261 -0.025 5.967 97 1HG GLU 14 1HG GLU 14 5.340 2.044 5.637 98 2HG GLU 14 2HG GLU 14 6.626 1.675 6.782 99 H TYR 15 H TYR 15 3.540 1.863 6.475 100 HA TYR 15 HA TYR 15 3.464 4.108 8.201 101 1HB TYR 15 2HB TYR 15 2.550 3.639 5.709 102 2HB TYR 15 1HB TYR 15 1.022 3.394 6.526 103 HD1 TYR 15 HD1 TYR 15 3.725 5.769 5.621 104 HD2 TYR 15 HD2 TYR 15 -0.063 5.347 7.749 105 HE1 TYR 15 HE1 TYR 15 3.485 8.271 5.696 106 HE2 TYR 15 HE2 TYR 15 -0.302 7.842 7.821 107 HH TYR 15 HH TYR 15 0.598 9.833 7.176 108 H GLN 16 H GLN 16 0.452 3.880 8.064 109 HA GLN 16 HA GLN 16 0.264 2.443 10.666 110 1HB GLN 16 2HB GLN 16 -0.012 5.127 10.332 111 2HB GLN 16 1HB GLN 16 -1.685 4.646 10.090 112 1HG GLN 16 1HG GLN 16 -1.656 3.457 12.297 113 2HG GLN 16 2HG GLN 16 0.028 3.900 12.526 114 1HE2 GLN 16 1HE2 GLN 16 -2.696 5.724 11.161 115 2HE2 GLN 16 2HE2 GLN 16 -2.450 7.170 12.121 116 H CYS 17 H CYS 17 -2.450 3.192 10.812 117 HA CYS 17 HA CYS 17 -3.355 0.625 9.643 118 1HB CYS 17 1HB CYS 17 -4.775 2.180 11.851 119 2HB CYS 17 2HB CYS 17 -4.911 0.467 11.499 120 H GLN 18 H GLN 18 -4.787 0.886 7.662 121 HA GLN 18 HA GLN 18 -7.212 2.167 8.691 122 1HB GLN 18 2HB GLN 18 -6.504 1.484 6.188 123 2HB GLN 18 1HB GLN 18 -7.298 -0.024 6.634 124 1HG GLN 18 1HG GLN 18 -9.270 0.950 6.063 125 2HG GLN 18 2HG GLN 18 -9.115 1.938 7.510 126 1HE2 GLN 18 1HE2 GLN 18 -7.181 3.822 6.987 127 2HE2 GLN 18 2HE2 GLN 18 -6.848 4.052 5.281 128 HA PRO 19 HA PRO 19 -7.684 -1.340 11.640 129 1HB PRO 19 1HB PRO 19 -9.884 0.463 12.430 130 2HB PRO 19 2HB PRO 19 -8.635 -0.288 13.424 131 1HG PRO 19 1HG PRO 19 -8.591 2.386 12.704 132 2HG PRO 19 2HG PRO 19 -7.123 1.447 13.043 133 1HD PRO 19 1HD PRO 19 -8.152 2.404 10.425 134 2HD PRO 19 2HD PRO 19 -6.504 1.934 10.886 135 H LEU 20 H LEU 20 -9.240 -0.913 8.891 136 HA LEU 20 HA LEU 20 -9.698 -3.515 9.066 137 1HB LEU 20 1HB LEU 20 -11.291 -3.586 10.735 138 2HB LEU 20 2HB LEU 20 -12.100 -2.131 10.190 139 HG LEU 20 HG LEU 20 -12.317 -4.076 8.110 140 1HD1 LEU 20 1HD1 LEU 20 -13.002 -6.054 9.072 141 2HD1 LEU 20 2HD1 LEU 20 -11.853 -5.548 10.311 142 3HD1 LEU 20 3HD1 LEU 20 -13.579 -5.273 10.545 143 1HD2 LEU 20 1HD2 LEU 20 -13.889 -2.134 8.943 144 2HD2 LEU 20 2HD2 LEU 20 -14.609 -3.584 8.243 145 3HD2 LEU 20 3HD2 LEU 20 -14.572 -3.376 9.993 146 H ASN 21 H ASN 21 -11.587 -1.098 8.570 147 HA ASN 21 HA ASN 21 -13.532 -1.904 6.939 148 1HB ASN 21 1HB ASN 21 -12.577 0.830 7.417 149 2HB ASN 21 2HB ASN 21 -13.292 0.703 5.794 150 1HD2 ASN 21 HD2 ASN 21 -14.440 2.206 7.984 151 H GLN 22 H GLN 22 -13.706 -1.561 3.789 152 HA GLN 22 HA GLN 22 -13.482 -3.577 5.858 153 1HB GLN 22 1HB GLN 22 -15.098 -4.878 4.437 154 2HB GLN 22 2HB GLN 22 -15.654 -3.252 4.750 155 1HG GLN 22 1HG GLN 22 -14.454 -2.683 2.437 156 2HG GLN 22 2HG GLN 22 -14.599 -4.416 2.160 157 1HE2 GLN 22 2HE2 GLN 22 -15.961 -3.144 0.394 158 2HE2 GLN 22 1HE2 GLN 22 -17.457 -2.371 0.883 159 H THR 23 H THR 23 -11.024 -2.955 4.720 160 HA THR 23 HA THR 23 -10.315 -5.383 3.422 161 HB THR 23 HB THR 23 -8.414 -3.825 5.227 162 HG1 THR 23 HG1 THR 23 -8.109 -2.625 3.170 163 1HG2 THR 23 1HG2 THR 23 -7.966 -5.116 2.482 164 2HG2 THR 23 2HG2 THR 23 -6.728 -4.368 3.491 165 3HG2 THR 23 3HG2 THR 23 -7.518 -5.855 4.019 166 H SER 24 H SER 24 -11.007 -4.554 6.497 167 HA SER 24 HA SER 24 -10.416 -5.251 8.588 168 1HB SER 24 1HB SER 24 -10.510 -7.539 9.134 169 2HB SER 24 2HB SER 24 -11.674 -7.200 7.862 170 HG SER 24 HG SER 24 -9.758 -8.968 7.873 171 H TYR 25 H TYR 25 -8.605 -5.397 9.739 172 HA TYR 25 HA TYR 25 -8.013 -3.226 8.163 173 1HB TYR 25 2HB TYR 25 -6.743 -2.328 10.233 174 2HB TYR 25 1HB TYR 25 -8.187 -3.221 10.714 175 HD1 TYR 25 HD1 TYR 25 -4.592 -2.921 10.973 176 HD2 TYR 25 HD2 TYR 25 -7.888 -5.753 11.340 177 HE1 TYR 25 HE1 TYR 25 -3.125 -4.450 12.332 178 HE2 TYR 25 HE2 TYR 25 -6.425 -7.281 12.704 179 HH TYR 25 HH TYR 25 -3.241 -7.242 12.784 180 H LEU 26 H LEU 26 -6.467 -2.163 7.591 181 HA LEU 26 HA LEU 26 -4.501 -3.859 6.274 182 1HB LEU 26 2HB LEU 26 -5.413 -3.012 4.370 183 2HB LEU 26 1HB LEU 26 -6.700 -2.448 5.437 184 HG LEU 26 HG LEU 26 -5.031 -0.346 5.674 185 1HD1 LEU 26 1HD2 LEU 26 -3.507 -0.070 3.999 186 2HD1 LEU 26 2HD2 LEU 26 -3.694 -1.799 3.694 187 3HD1 LEU 26 3HD2 LEU 26 -4.630 -0.631 2.762 188 1HD2 LEU 26 1HD1 LEU 26 -6.724 -0.507 3.171 189 2HD2 LEU 26 2HD1 LEU 26 -7.498 -0.622 4.747 190 3HD2 LEU 26 3HD1 LEU 26 -6.574 0.821 4.315 191 H CYS 27 H CYS 27 -2.817 -1.942 5.017 192 HA CYS 27 HA CYS 27 -2.188 -0.125 7.262 193 1HB CYS 27 1HB CYS 27 -0.233 -2.076 6.042 194 2HB CYS 27 2HB CYS 27 0.295 -0.662 6.971 195 H VAL 28 H VAL 28 -0.968 1.750 6.782 196 HA VAL 28 HA VAL 28 -2.997 2.454 4.928 197 HB VAL 28 HB VAL 28 -1.055 4.063 6.595 198 1HG1 VAL 28 1HG2 VAL 28 -1.763 5.796 5.248 199 2HG1 VAL 28 2HG2 VAL 28 -3.263 4.974 4.803 200 3HG1 VAL 28 3HG2 VAL 28 -3.145 5.810 6.355 201 1HG2 VAL 28 1HG1 VAL 28 -2.992 2.491 7.643 202 2HG2 VAL 28 2HG1 VAL 28 -2.535 4.042 8.391 203 3HG2 VAL 28 3HG1 VAL 28 -3.961 3.933 7.378 204 H CYS 29 H CYS 29 0.089 2.118 4.460 205 HA CYS 29 HA CYS 29 1.462 4.324 4.076 206 1HB CYS 29 1HB CYS 29 1.651 1.631 2.868 207 2HB CYS 29 2HB CYS 29 2.465 2.801 1.876 208 H ALA 30 H ALA 30 2.559 4.557 2.206 209 HA ALA 30 HA ALA 30 1.427 7.043 1.896 210 1HB ALA 30 1HB ALA 30 3.272 7.457 -0.070 211 2HB ALA 30 2HB ALA 30 3.737 7.279 1.622 212 3HB ALA 30 3HB ALA 30 3.856 5.903 0.526 213 H GLU 31 H GLU 31 -0.665 7.102 0.924 214 HA GLU 31 HA GLU 31 -1.456 4.933 -0.307 215 1HB GLU 31 1HB GLU 31 -2.695 7.172 0.412 216 2HB GLU 31 2HB GLU 31 -2.675 7.504 -1.300 217 1HG GLU 31 1HG GLU 31 -3.586 4.903 -1.307 218 2HG GLU 31 2HG GLU 31 -4.218 5.459 0.242 219 H GLY 32 H GLY 32 -2.246 4.423 -2.524 220 1HA GLY 32 1HA GLY 32 -0.954 3.190 -4.019 221 2HA GLY 32 2HA GLY 32 -0.365 4.783 -4.585 222 H PHE 33 H PHE 33 0.076 3.668 -1.234 223 HA PHE 33 HA PHE 33 2.056 1.773 -2.261 224 1HB PHE 33 2HB PHE 33 2.664 3.969 -0.300 225 2HB PHE 33 1HB PHE 33 3.227 2.334 0.104 226 HD1 PHE 33 HD1 PHE 33 4.031 5.307 -1.689 227 HD2 PHE 33 HD2 PHE 33 4.501 0.975 -1.759 228 HE1 PHE 33 HE1 PHE 33 6.130 5.560 -3.062 229 HE2 PHE 33 HE2 PHE 33 6.588 1.221 -3.141 230 HZ PHE 33 HZ PHE 33 7.410 3.513 -3.788 231 H ALA 34 H ALA 34 0.515 0.271 -2.011 232 HA ALA 34 HA ALA 34 -0.658 -0.025 0.691 233 1HB ALA 34 1HB ALA 34 -1.994 -1.647 -1.349 234 2HB ALA 34 2HB ALA 34 -2.656 -0.272 -0.465 235 3HB ALA 34 3HB ALA 34 -1.782 -0.009 -1.974 236 HA PRO 35 HA PRO 35 0.803 -4.291 1.117 237 1HB PRO 35 1HB PRO 35 -1.720 -5.585 0.306 238 2HB PRO 35 2HB PRO 35 -0.888 -5.650 1.855 239 1HG PRO 35 1HG PRO 35 -3.235 -4.132 1.257 240 2HG PRO 35 2HG PRO 35 -2.284 -4.041 2.735 241 1HD PRO 35 1HD PRO 35 -2.481 -2.059 0.632 242 2HD PRO 35 2HD PRO 35 -1.530 -1.943 2.120 243 H ILE 36 H ILE 36 2.040 -3.579 -0.963 244 HA ILE 36 HA ILE 36 2.228 -5.207 -3.010 245 HB ILE 36 HB ILE 36 4.008 -4.087 -1.948 246 1HG1 ILE 36 1HG1 ILE 36 4.393 -6.695 -2.936 247 2HG1 ILE 36 2HG1 ILE 36 5.515 -5.379 -2.884 248 1HG2 ILE 36 1HG2 ILE 36 5.013 -5.076 0.250 249 2HG2 ILE 36 2HG2 ILE 36 3.540 -4.113 0.317 250 3HG2 ILE 36 3HG2 ILE 36 3.431 -5.864 0.386 251 1HD1 ILE 36 1HD1 ILE 36 5.069 -7.079 -0.421 252 2HD1 ILE 36 2HD1 ILE 36 6.175 -7.603 -1.702 253 3HD1 ILE 36 3HD1 ILE 36 6.464 -6.081 -0.835 254 HA PRO 37 HA PRO 37 2.136 -9.809 -1.845 255 1HB PRO 37 2HB PRO 37 4.973 -9.120 -2.546 256 2HB PRO 37 1HB PRO 37 4.035 -10.529 -3.012 257 1HG PRO 37 1HG PRO 37 4.466 -8.236 -4.626 258 2HG PRO 37 2HG PRO 37 3.233 -9.455 -4.925 259 1HD PRO 37 1HD PRO 37 2.806 -6.717 -4.140 260 2HD PRO 37 2HD PRO 37 1.561 -7.966 -4.312 261 H HIS 38 H HIS 38 5.088 -10.208 -0.644 262 HA HIS 38 HA HIS 38 3.434 -11.701 0.624 263 1HB HIS 38 1HB HIS 38 4.859 -11.503 2.845 264 2HB HIS 38 2HB HIS 38 5.512 -12.242 1.377 265 HD1 HIS 38 HD1 HIS 38 8.025 -11.610 2.332 266 HD2 HIS 38 HD2 HIS 38 5.405 -8.429 1.382 267 HE1 HIS 38 HE1 HIS 38 9.478 -9.493 2.200 268 H GLU 39 H GLU 39 4.450 -9.326 2.571 269 HA GLU 39 HA GLU 39 2.745 -10.236 4.570 270 1HB GLU 39 2HB GLU 39 3.842 -7.404 4.710 271 2HB GLU 39 1HB GLU 39 3.406 -8.427 6.087 272 1HG GLU 39 2HG GLU 39 5.370 -9.727 4.297 273 2HG GLU 39 1HG GLU 39 5.969 -8.215 4.972 274 HA PRO 40 HA PRO 40 -1.009 -7.688 4.460 275 1HB PRO 40 1HB PRO 40 -1.568 -8.617 7.136 276 2HB PRO 40 2HB PRO 40 -2.390 -9.093 5.656 277 1HG PRO 40 1HG PRO 40 -0.531 -10.665 7.240 278 2HG PRO 40 2HG PRO 40 -1.397 -11.162 5.791 279 1HD PRO 40 1HD PRO 40 1.423 -10.494 6.035 280 2HD PRO 40 2HD PRO 40 0.565 -11.022 4.578 281 H HIS 41 H HIS 41 1.659 -6.483 5.138 282 HA HIS 41 HA HIS 41 -0.476 -4.614 5.796 283 1HB HIS 41 2HB HIS 41 1.328 -3.016 6.842 284 2HB HIS 41 1HB HIS 41 0.828 -4.392 7.826 285 HD1 HIS 41 HD1 HIS 41 2.603 -6.759 6.992 286 HD2 HIS 41 HD2 HIS 41 3.892 -2.730 6.995 287 HE1 HIS 41 HE1 HIS 41 5.173 -6.822 7.043 288 H ARG 42 H ARG 42 1.791 -5.450 3.685 289 HA ARG 42 HA ARG 42 3.410 -3.222 4.338 290 1HB ARG 42 1HB ARG 42 3.727 -5.348 2.268 291 2HB ARG 42 2HB ARG 42 4.641 -3.897 1.961 292 1HG ARG 42 1HG ARG 42 5.963 -4.095 3.856 293 2HG ARG 42 2HG ARG 42 4.760 -5.053 4.728 294 1HD ARG 42 1HD ARG 42 5.346 -7.065 3.451 295 2HD ARG 42 2HD ARG 42 6.272 -6.120 2.273 296 HE ARG 42 HE ARG 42 7.298 -7.195 4.645 297 1HH1 ARG 42 2HH1 ARG 42 9.324 -5.542 2.493 298 2HH1 ARG 42 1HH1 ARG 42 8.307 -4.140 2.515 299 1HH2 ARG 42 1HH2 ARG 42 7.806 -4.525 5.898 300 2HH2 ARG 42 2HH2 ARG 42 9.460 -4.729 5.428 301 H CYS 43 H CYS 43 4.244 -1.423 3.049 302 HA CYS 43 HA CYS 43 2.830 -0.993 0.557 303 1HB CYS 43 2HB CYS 43 4.590 1.083 0.792 304 2HB CYS 43 1HB CYS 43 2.968 0.938 1.485 305 H GLN 44 H GLN 44 3.514 -1.812 -1.247 306 HA GLN 44 HA GLN 44 5.908 -0.560 -2.043 307 1HB GLN 44 1HB GLN 44 7.061 -2.519 -1.374 308 2HB GLN 44 2HB GLN 44 5.909 -3.582 -2.136 309 1HG GLN 44 1HG GLN 44 6.767 -2.120 -4.332 310 2HG GLN 44 2HG GLN 44 8.200 -2.036 -3.324 311 1HE2 GLN 44 2HE2 GLN 44 8.454 -4.470 -2.104 312 2HE2 GLN 44 1HE2 GLN 44 7.583 -5.772 -2.893 313 H MET 45 H MET 45 5.355 0.301 -3.893 314 HA MET 45 HA MET 45 3.214 1.398 -3.862 315 1HB MET 45 1HB MET 45 2.963 -0.836 -5.979 316 2HB MET 45 2HB MET 45 1.813 0.471 -5.880 317 1HG MET 45 1HG MET 45 4.579 1.476 -6.086 318 2HG MET 45 2HG MET 45 4.084 0.454 -7.433 319 1HE MET 45 1HE MET 45 4.328 3.267 -8.906 320 2HE MET 45 2HE MET 45 3.933 1.573 -9.233 321 3HE MET 45 3HE MET 45 2.791 2.850 -9.676 322 H PHE 46 H PHE 46 0.331 0.578 -3.797 323 HA PHE 46 HA PHE 46 1.137 -2.144 -4.631 324 1HB PHE 46 2HB PHE 46 -0.174 -2.244 -2.469 325 2HB PHE 46 1HB PHE 46 -1.535 -1.490 -3.283 326 HD1 PHE 46 HD1 PHE 46 -3.229 -3.136 -3.443 327 HD2 PHE 46 HD2 PHE 46 0.878 -4.147 -4.507 328 HE1 PHE 46 HE1 PHE 46 -3.992 -5.400 -4.237 329 HE2 PHE 46 HE2 PHE 46 0.115 -6.407 -5.309 330 HZ PHE 46 HZ PHE 46 -2.320 -7.036 -5.170 331 H CYS 47 H CYS 47 1.093 -1.789 -6.914 332 HA CYS 47 HA CYS 47 0.008 0.813 -7.335 333 1HB CYS 47 2HB CYS 47 1.368 0.891 -9.221 334 2HB CYS 47 1HB CYS 47 2.146 -0.411 -8.354 335 H ASN 48 H ASN 48 -1.506 -2.334 -7.970 336 HA ASN 48 HA ASN 48 -3.731 -2.165 -7.391 337 1HB ASN 48 2HB ASN 48 -3.087 0.328 -6.761 338 2HB ASN 48 1HB ASN 48 -3.797 0.750 -8.317 339 1HD2 ASN 48 HD2 ASN 48 -4.653 1.446 -5.612 340 H GLN 49 H GLN 49 -6.083 -1.527 -9.112 341 HA GLN 49 HA GLN 49 -4.955 -4.069 -8.902 342 1HB GLN 49 2HB GLN 49 -7.124 -4.892 -9.359 343 2HB GLN 49 1HB GLN 49 -7.480 -3.256 -8.863 344 1HG GLN 49 2HG GLN 49 -7.597 -2.527 -11.246 345 2HG GLN 49 1HG GLN 49 -7.175 -4.151 -11.777 346 1HE2 GLN 49 1HE2 GLN 49 -9.597 -2.043 -11.295 347 2HE2 GLN 49 2HE2 GLN 49 -10.960 -3.145 -11.240 348 H THR 50 H THR 50 -4.406 -5.812 -11.157 349 HA THR 50 HA THR 50 -2.528 -4.383 -9.770 350 HB THR 50 HB THR 50 -0.837 -5.567 -11.486 351 HG1 THR 50 HG1 THR 50 -2.510 -5.773 -13.000 352 1HG2 THR 50 1HG2 THR 50 -2.762 -6.989 -9.594 353 2HG2 THR 50 2HG2 THR 50 -1.066 -6.589 -9.322 354 3HG2 THR 50 3HG2 THR 50 -1.499 -7.868 -10.457 355 H ALA 51 H ALA 51 -3.093 -4.355 -13.267 356 HA ALA 51 HA ALA 51 -0.993 -2.999 -14.130 357 1HB ALA 51 1HB ALA 51 -2.953 -3.717 -15.570 358 2HB ALA 51 2HB ALA 51 -2.319 -2.137 -16.028 359 3HB ALA 51 3HB ALA 51 -3.807 -2.248 -15.087 360 H CYS 52 H CYS 52 -0.571 -0.741 -14.782 361 HA CYS 52 HA CYS 52 -0.396 -0.128 -11.935 362 1HB CYS 52 1HB CYS 52 1.352 -1.258 -13.647 363 2HB CYS 52 2HB CYS 52 1.898 0.400 -13.798 364 HA PRO 53 HA PRO 53 1.749 3.484 -13.898 365 1HB PRO 53 2HB PRO 53 0.820 4.459 -16.421 366 2HB PRO 53 1HB PRO 53 2.259 3.481 -16.149 367 1HG PRO 53 2HG PRO 53 -0.318 2.678 -17.276 368 2HG PRO 53 1HG PRO 53 1.213 1.763 -17.225 369 1HD PRO 53 2HD PRO 53 -1.148 1.280 -15.663 370 2HD PRO 53 1HD PRO 53 0.436 0.482 -15.522 371 H ALA 54 H ALA 54 0.241 3.960 -12.376 372 HA ALA 54 HA ALA 54 0.687 6.017 -11.274 373 1HB ALA 54 1HB ALA 54 2.597 7.014 -12.431 374 2HB ALA 54 2HB ALA 54 1.911 6.668 -14.027 375 3HB ALA 54 3HB ALA 54 2.532 5.375 -13.029 376 H ASP 55 H ASP 55 0.965 8.511 -11.925 377 HA ASP 55 HA ASP 55 -1.771 9.189 -12.567 378 1HB ASP 55 1HB ASP 55 -1.271 9.310 -10.056 379 2HB ASP 55 2HB ASP 55 -0.017 10.493 -10.420 380 H CYS 56 H CYS 56 1.256 10.329 -13.334 381 HA CYS 56 HA CYS 56 1.016 10.790 -15.769 382 1HB CYS 56 1HB CYS 56 0.588 8.039 -14.599 383 2HB CYS 56 2HB CYS 56 1.561 8.577 -15.930 384 H ASP 57 H ASP 57 -0.980 8.841 -14.115 385 HA ASP 57 HA ASP 57 -3.087 7.849 -14.312 386 1HB ASP 57 2HB ASP 57 -4.122 9.418 -13.281 387 2HB ASP 57 1HB ASP 57 -2.855 10.481 -13.547 388 HA PRO 58 HA PRO 58 -5.982 8.514 -17.609 389 1HB PRO 58 2HB PRO 58 -7.645 6.926 -15.849 390 2HB PRO 58 1HB PRO 58 -7.233 6.596 -17.526 391 1HG PRO 58 2HG PRO 58 -6.238 5.235 -15.173 392 2HG PRO 58 1HG PRO 58 -5.826 4.910 -16.853 393 1HD PRO 58 2HD PRO 58 -4.176 6.223 -14.838 394 2HD PRO 58 1HD PRO 58 -3.741 5.839 -16.511 395 H ASN 59 H ASN 59 -6.959 7.773 -14.103 396 HA ASN 59 HA ASN 59 -7.662 10.477 -13.860 397 1HB ASN 59 2HB ASN 59 -8.475 9.033 -11.653 398 2HB ASN 59 1HB ASN 59 -9.449 9.310 -13.112 399 1HD2 ASN 59 1HD2 ASN 59 -6.990 7.110 -11.758 400 2HD2 ASN 59 2HD2 ASN 59 -7.933 5.659 -12.042 401 H THR 60 H THR 60 -6.867 8.297 -11.623 402 HA THR 60 HA THR 60 -4.849 10.112 -10.429 403 HB THR 60 HB THR 60 -5.648 8.605 -8.302 404 HG1 THR 60 HG1 THR 60 -8.021 8.698 -8.890 405 1HG2 THR 60 1HG2 THR 60 -5.691 11.097 -8.481 406 2HG2 THR 60 2HG2 THR 60 -7.217 10.479 -7.838 407 3HG2 THR 60 3HG2 THR 60 -7.109 10.997 -9.524 408 H GLN 61 H GLN 61 -5.390 7.252 -9.183 409 HA GLN 61 HA GLN 61 -4.917 5.079 -9.899 410 1HB GLN 61 1HB GLN 61 -3.726 5.575 -11.977 411 2HB GLN 61 2HB GLN 61 -2.392 6.290 -11.191 412 1HG GLN 61 2HG GLN 61 -1.353 4.249 -11.059 413 2HG GLN 61 1HG GLN 61 -2.657 3.590 -10.130 414 1HE2 GLN 61 1HE2 GLN 61 -2.958 4.823 -13.595 415 2HE2 GLN 61 2HE2 GLN 61 -2.106 3.380 -14.112 416 H ALA 62 H ALA 62 -3.493 6.881 -7.709 417 HA ALA 62 HA ALA 62 -1.852 6.798 -6.209 418 1HB ALA 62 1HB ALA 62 -2.642 5.162 -4.712 419 2HB ALA 62 2HB ALA 62 -1.844 3.903 -5.656 420 3HB ALA 62 3HB ALA 62 -3.483 4.411 -6.064 421 H SER 63 H SER 63 0.378 7.295 -6.566 422 HA SER 63 HA SER 63 1.206 6.295 -9.058 423 1HB SER 63 2HB SER 63 -1.579 7.662 -8.956 424 2HB SER 63 1HB SER 63 -0.672 7.487 -10.383 425 HG SER 63 HG SER 63 -0.518 5.219 -9.086 426 H CYS 64 H CYS 64 3.012 8.328 -7.831 427 HA CYS 64 HA CYS 64 2.508 7.207 -10.455 428 1HB CYS 64 2HB CYS 64 4.077 9.808 -10.201 429 2HB CYS 64 1HB CYS 64 4.567 8.664 -11.412 430 H GLU 65 H GLU 65 3.625 5.215 -9.122 431 HA GLU 65 HA GLU 65 4.629 6.894 -7.041 432 1HB GLU 65 1HB GLU 65 3.056 4.775 -6.942 433 2HB GLU 65 2HB GLU 65 4.549 3.910 -6.669 434 1HG GLU 65 2HG GLU 65 3.912 4.450 -4.475 435 2HG GLU 65 1HG GLU 65 4.978 5.804 -4.840 436 H CYS 66 H CYS 66 5.801 3.901 -7.893 437 HA CYS 66 HA CYS 66 8.036 3.998 -6.402 438 1HB CYS 66 1HB CYS 66 8.197 2.273 -8.812 439 2HB CYS 66 2HB CYS 66 8.160 1.852 -7.093 440 HA PRO 67 HA PRO 67 10.129 2.740 -6.623 441 1HB PRO 67 1HB PRO 67 12.703 2.093 -7.808 442 2HB PRO 67 2HB PRO 67 11.295 1.044 -7.588 443 1HG PRO 67 2HG PRO 67 12.292 2.200 -10.063 444 2HG PRO 67 1HG PRO 67 10.975 1.059 -9.839 445 1HD PRO 67 2HD PRO 67 10.779 3.919 -10.410 446 2HD PRO 67 1HD PRO 67 9.462 2.750 -10.273 447 H GLU 68 H GLU 68 12.811 3.259 -5.436 448 HA GLU 68 HA GLU 68 14.310 5.252 -6.326 449 1HB GLU 68 2HB GLU 68 14.727 2.291 -6.358 450 2HB GLU 68 1HB GLU 68 15.853 3.191 -7.346 451 1HG GLU 68 2HG GLU 68 15.345 4.234 -4.565 452 2HG GLU 68 1HG GLU 68 16.296 2.759 -4.716 453 H GLY 69 H GLY 69 14.998 6.260 -8.170 454 1HA GLY 69 1HA GLY 69 14.006 7.284 -10.004 455 2HA GLY 69 2HA GLY 69 14.522 5.759 -10.788 456 H TYR 70 H TYR 70 11.251 5.120 -8.698 457 HA TYR 70 HA TYR 70 10.539 7.210 -7.999 458 1HB TYR 70 2HB TYR 70 12.990 6.565 -7.036 459 2HB TYR 70 1HB TYR 70 13.479 7.965 -7.963 460 HD1 TYR 70 HD1 TYR 70 13.958 9.654 -6.397 461 HD2 TYR 70 HD2 TYR 70 10.281 7.343 -6.008 462 HE1 TYR 70 HE1 TYR 70 13.206 11.166 -4.530 463 HE2 TYR 70 HE2 TYR 70 9.529 8.850 -4.139 464 HH TYR 70 HH TYR 70 11.195 10.599 -2.351 465 H ILE 71 H ILE 71 12.142 10.112 -8.671 466 HA ILE 71 HA ILE 71 9.548 9.610 -7.980 467 HB ILE 71 HB ILE 71 10.477 12.100 -9.483 468 1HG1 ILE 71 1HG1 ILE 71 10.447 12.049 -6.497 469 2HG1 ILE 71 2HG1 ILE 71 11.748 11.193 -7.284 470 1HG2 ILE 71 1HG2 ILE 71 8.426 12.945 -9.109 471 2HG2 ILE 71 2HG2 ILE 71 8.629 12.715 -7.373 472 3HG2 ILE 71 3HG2 ILE 71 7.927 11.430 -8.358 473 1HD1 ILE 71 1HD1 ILE 71 12.816 13.202 -7.489 474 2HD1 ILE 71 2HD1 ILE 71 11.371 14.088 -7.002 475 3HD1 ILE 71 3HD1 ILE 71 11.606 13.647 -8.693 476 H LEU 72 H LEU 72 9.294 7.893 -9.698 477 HA LEU 72 HA LEU 72 9.192 8.445 -12.275 478 1HB LEU 72 2HB LEU 72 8.532 6.166 -10.879 479 2HB LEU 72 1HB LEU 72 6.954 6.654 -11.399 480 HG LEU 72 HG LEU 72 8.704 5.082 -12.783 481 1HD1 LEU 72 1HD1 LEU 72 6.026 5.866 -12.948 482 2HD1 LEU 72 2HD1 LEU 72 6.831 4.698 -13.992 483 3HD1 LEU 72 3HD1 LEU 72 6.701 6.388 -14.486 484 1HD2 LEU 72 1HD2 LEU 72 10.022 7.050 -13.468 485 2HD2 LEU 72 2HD2 LEU 72 8.567 7.780 -14.154 486 3HD2 LEU 72 3HD2 LEU 72 9.217 6.290 -14.859 487 H ASP 73 H ASP 73 6.393 7.553 -13.115 488 HA ASP 73 HA ASP 73 5.464 10.027 -13.971 489 1HB ASP 73 2HB ASP 73 8.436 9.754 -13.952 490 2HB ASP 73 1HB ASP 73 7.752 10.374 -15.464 491 H ASP 74 H ASP 74 4.670 7.774 -14.371 492 HA ASP 74 HA ASP 74 3.459 6.861 -16.214 493 1HB ASP 74 2HB ASP 74 3.281 9.512 -16.289 494 2HB ASP 74 1HB ASP 74 4.477 9.437 -17.574 495 H GLY 75 H GLY 75 6.305 5.861 -16.172 496 1HA GLY 75 1HA GLY 75 4.489 4.203 -16.534 497 2HA GLY 75 2HA GLY 75 4.671 4.529 -18.266 498 H PHE 76 H PHE 76 5.590 2.982 -15.690 499 HA PHE 76 HA PHE 76 8.188 1.908 -16.554 500 1HB PHE 76 2HB PHE 76 7.985 4.563 -15.613 501 2HB PHE 76 1HB PHE 76 8.546 3.700 -14.197 502 HD1 PHE 76 HD1 PHE 76 10.864 3.160 -13.948 503 HD2 PHE 76 HD2 PHE 76 9.269 4.140 -17.886 504 HE1 PHE 76 HE1 PHE 76 13.195 3.130 -14.897 505 HE2 PHE 76 HE2 PHE 76 11.598 4.109 -18.839 506 HZ PHE 76 HZ PHE 76 13.562 3.605 -17.344 507 H ILE 77 H ILE 77 5.745 1.305 -14.748 508 HA ILE 77 HA ILE 77 6.667 3.036 -12.921 509 HB ILE 77 HB ILE 77 4.147 1.585 -12.375 510 1HG1 ILE 77 1HG1 ILE 77 3.674 3.875 -13.644 511 2HG1 ILE 77 2HG1 ILE 77 5.202 3.588 -14.337 512 1HG2 ILE 77 1HG2 ILE 77 3.608 3.691 -11.279 513 2HG2 ILE 77 2HG2 ILE 77 5.025 4.467 -11.954 514 3HG2 ILE 77 3HG2 ILE 77 5.238 3.280 -10.671 515 1HD1 ILE 77 1HD1 ILE 77 4.177 1.088 -14.776 516 2HD1 ILE 77 2HD1 ILE 77 3.917 2.390 -15.934 517 3HD1 ILE 77 3HD1 ILE 77 2.663 1.964 -14.772 518 H CYS 78 H CYS 78 5.285 0.245 -12.131 519 HA CYS 78 HA CYS 78 7.439 -0.720 -10.319 520 1HB CYS 78 2HB CYS 78 4.610 -0.286 -9.555 521 2HB CYS 78 1HB CYS 78 5.161 -1.900 -9.151 522 H THR 79 H THR 79 4.257 -2.463 -11.602 523 HA THR 79 HA THR 79 5.166 -1.140 -13.762 524 HB THR 79 HB THR 79 7.311 -2.465 -13.550 525 HG1 THR 79 HG1 THR 79 6.849 -3.415 -15.835 526 1HG2 THR 79 1HG2 THR 79 5.619 -4.851 -14.452 527 2HG2 THR 79 2HG2 THR 79 6.198 -4.639 -12.799 528 3HG2 THR 79 3HG2 THR 79 7.350 -4.850 -14.119 529 H ASP 80 H ASP 80 2.720 -1.270 -14.464 530 HA ASP 80 HA ASP 80 1.950 -2.504 -16.449 531 1HB ASP 80 2HB ASP 80 2.985 -1.033 -18.124 532 2HB ASP 80 1HB ASP 80 2.772 -0.114 -16.625 533 H ILE 81 H ILE 81 2.316 -4.634 -16.437 534 HA ILE 81 HA ILE 81 4.531 -5.987 -15.977 535 HB ILE 81 HB ILE 81 3.389 -7.356 -18.262 536 1HG1 ILE 81 2HG1 ILE 81 1.302 -6.405 -16.273 537 2HG1 ILE 81 1HG1 ILE 81 1.458 -5.805 -17.907 538 1HG2 ILE 81 1HG2 ILE 81 2.485 -8.466 -15.775 539 2HG2 ILE 81 2HG2 ILE 81 4.138 -7.894 -15.553 540 3HG2 ILE 81 3HG2 ILE 81 3.768 -9.046 -16.835 541 1HD1 ILE 81 1HD1 ILE 81 0.495 -8.507 -16.968 542 2HD1 ILE 81 2HD1 ILE 81 1.332 -8.437 -18.519 543 3HD1 ILE 81 3HD1 ILE 81 -0.131 -7.488 -18.264 544 H ASP 82 H ASP 82 6.675 -5.284 -16.819 545 HA ASP 82 HA ASP 82 7.234 -6.418 -19.334 546 1HB ASP 82 2HB ASP 82 8.941 -5.763 -17.506 547 2HB ASP 82 1HB ASP 82 8.531 -7.262 -16.679 548 H GLU 83 H GLU 83 5.328 -8.202 -16.604 549 HA GLU 83 HA GLU 83 7.951 -9.555 -16.894 550 1HB GLU 83 1HB GLU 83 7.338 -7.548 -15.076 551 2HB GLU 83 2HB GLU 83 6.968 -8.966 -14.125 552 1HG GLU 83 1HG GLU 83 9.572 -9.072 -15.611 553 2HG GLU 83 2HG GLU 83 9.484 -7.902 -14.298 554 H1 NAG 121 H1 ASN 21 -15.444 0.225 9.816 555 H2 NAG 121 H2 ASN 21 -15.390 3.256 9.708 556 H3 NAG 121 H3 ASN 21 -16.539 2.858 12.135 557 H4 NAG 121 H4 ASN 21 -18.557 1.411 11.787 558 H5 NAG 121 H5 ASN 21 -17.805 -0.495 9.969 559 1H6 NAG 121 1H6 ASN 21 -20.062 0.106 9.862 560 2H6 NAG 121 2H6 ASN 21 -19.479 0.878 8.388 561 1H8 NAG 121 1H8 ASN 21 -13.153 0.369 10.056 562 2H8 NAG 121 2H8 ASN 21 -12.552 -0.274 11.597 563 3H8 NAG 121 3H8 ASN 21 -14.021 -0.950 10.867 564 HN2 NAG 121 HN2 ASN 21 -13.735 2.871 11.219 565 HO4 NAG 121 HO4 ASN 21 -17.355 -0.533 11.969 566 HO3 NAG 121 HO3 ASN 21 -18.061 3.968 11.312 567 HO6 NAG 121 H6 ASN 21 -19.125 2.737 9.752 568 H1 NAG 148 H1 ASN 48 -6.736 -0.287 -4.810 569 H2 NAG 148 H2 ASN 48 -6.307 2.708 -4.345 570 H3 NAG 148 H3 ASN 48 -8.175 0.991 -2.686 571 H4 NAG 148 H4 ASN 48 -9.198 2.867 -4.837 572 H5 NAG 148 H5 ASN 48 -8.974 -0.165 -5.044 573 1H6 NAG 148 1H6 ASN 48 -10.470 -0.045 -6.761 574 2H6 NAG 148 2H6 ASN 48 -9.591 1.288 -7.509 575 1H8 NAG 148 1H8 ASN 48 -2.830 2.168 -3.621 576 2H8 NAG 148 2H8 ASN 48 -2.743 1.773 -1.892 577 3H8 NAG 148 3H8 ASN 48 -3.355 0.572 -3.049 578 HN2 NAG 148 HN2 ASN 48 -5.724 0.373 -2.629 579 HO4 NAG 148 HO4 ASN 48 -10.875 2.453 -3.817 580 HO3 NAG 148 HO3 ASN 48 -8.697 2.832 -1.871 581 HO6 NAG 148 H6 ASN 48 -11.718 1.291 -5.788
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