NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
1227 | 1adx | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 1 HT3 GLN 1 -1.455 7.485 -6.525 2 2H GLN 1 HT2 GLN 1 -0.842 6.618 -7.851 3 3H GLN 1 HT1 GLN 1 -1.878 7.940 -8.104 4 HA GLN 1 HA GLN 1 -3.733 6.793 -7.219 5 1HB GLN 1 HB2 GLN 1 -2.115 5.683 -9.376 6 2HB GLN 1 HB1 GLN 1 -3.116 4.449 -8.609 7 1HG GLN 1 HG2 GLN 1 -5.092 5.965 -8.859 8 2HG GLN 1 HG1 GLN 1 -4.069 7.091 -9.752 9 1HE2 GLN 1 HE22 GLN 1 -5.221 5.312 -12.615 10 2HE2 GLN 1 HE21 GLN 1 -5.368 6.747 -11.721 11 H MET 2 HN MET 2 -1.098 4.363 -7.285 12 HA MET 2 HA MET 2 -2.213 3.293 -4.726 13 1HB MET 2 HB2 MET 2 -0.333 1.823 -6.579 14 2HB MET 2 HB1 MET 2 -1.405 1.151 -5.349 15 1HG MET 2 HG2 MET 2 -3.357 1.660 -6.642 16 2HG MET 2 HG1 MET 2 -2.431 2.650 -7.769 17 1HE MET 2 HE2 MET 2 -4.409 0.834 -8.459 18 2HE MET 2 HE1 MET 2 -3.555 0.777 -9.999 19 3HE MET 2 HE3 MET 2 -3.999 -0.724 -9.174 20 H PHE 3 HN PHE 3 -1.002 3.756 -2.961 21 HA PHE 3 HA PHE 3 1.809 3.332 -2.768 22 1HB PHE 3 HB2 PHE 3 1.080 5.814 -4.014 23 2HB PHE 3 HB1 PHE 3 1.784 6.163 -2.435 24 HD1 PHE 3 HD2 PHE 3 3.993 4.926 -1.833 25 HD2 PHE 3 HD1 PHE 3 2.475 5.302 -5.834 26 HE1 PHE 3 HE2 PHE 3 6.253 4.450 -2.737 27 HE2 PHE 3 HE1 PHE 3 4.735 4.825 -6.737 28 HZ PHE 3 HZ PHE 3 6.624 4.398 -5.188 29 H CYS 4 HN CYS 4 -0.787 3.095 -1.270 30 HA CYS 4 HA CYS 4 -1.687 3.566 0.850 31 1HB CYS 4 HB2 CYS 4 1.073 2.621 1.096 32 2HB CYS 4 HB1 CYS 4 0.581 3.587 2.494 33 H ASN 5 HN ASN 5 -0.452 4.998 3.058 34 HA ASN 5 HA ASN 5 0.253 7.644 2.065 35 1HB ASN 5 HB2 ASN 5 -1.827 8.563 3.420 36 2HB ASN 5 HB1 ASN 5 -2.011 8.070 1.734 37 1HD2 ASN 5 HD22 ASN 5 -4.197 6.197 4.496 38 2HD2 ASN 5 HD21 ASN 5 -3.417 7.694 4.746 39 H GLN 6 HN GLN 6 1.272 8.784 3.621 40 HA GLN 6 HA GLN 6 1.973 9.458 5.787 41 1HB GLN 6 HB2 GLN 6 -0.261 8.516 6.616 42 2HB GLN 6 HB1 GLN 6 0.603 7.005 6.908 43 1HG GLN 6 HG2 GLN 6 1.461 7.812 8.821 44 2HG GLN 6 HG1 GLN 6 2.135 9.200 7.968 45 1HE2 GLN 6 HE22 GLN 6 -1.741 9.722 9.250 46 2HE2 GLN 6 HE21 GLN 6 -1.311 8.271 8.464 47 H THR 7 HN THR 7 3.472 7.935 3.958 48 HA THR 7 HA THR 7 5.623 6.953 4.050 49 HB THR 7 HB THR 7 5.189 6.038 6.873 50 HG1 THR 7 HG1 THR 7 5.911 8.673 6.122 51 1HG2 THR 7 HG22 THR 7 7.286 5.801 5.225 52 2HG2 THR 7 HG21 THR 7 7.636 7.409 5.861 53 3HG2 THR 7 HG23 THR 7 7.489 6.038 6.961 54 H ALA 8 HN ALA 8 2.940 5.256 5.671 55 HA ALA 8 HA ALA 8 3.051 3.059 3.841 56 1HB ALA 8 HB1 ALA 8 4.283 2.603 6.576 57 2HB ALA 8 HB3 ALA 8 3.845 1.320 5.450 58 3HB ALA 8 HB2 ALA 8 5.104 2.477 5.021 59 H CYS 9 HN CYS 9 1.039 2.136 3.898 60 HA CYS 9 HA CYS 9 -0.515 2.269 6.452 61 1HB CYS 9 HB2 CYS 9 -2.306 3.364 5.498 62 2HB CYS 9 HB1 CYS 9 -1.002 4.083 4.562 63 HA PRO 10 HA PRO 10 -1.852 -1.742 5.658 64 1HB PRO 10 HB2 PRO 10 -4.701 -1.226 5.778 65 2HB PRO 10 HB1 PRO 10 -3.667 -2.007 6.984 66 1HG PRO 10 HG2 PRO 10 -4.791 0.618 7.116 67 2HG PRO 10 HG1 PRO 10 -3.661 -0.126 8.259 68 1HD PRO 10 HD2 PRO 10 -3.149 1.996 6.393 69 2HD PRO 10 HD1 PRO 10 -2.017 1.250 7.540 70 H ALA 11 HN ALA 11 -4.171 -2.701 4.415 71 HA ALA 11 HA ALA 11 -3.927 -1.533 1.679 72 1HB ALA 11 HB3 ALA 11 -3.101 -4.103 2.541 73 2HB ALA 11 HB2 ALA 11 -4.541 -4.336 1.551 74 3HB ALA 11 HB1 ALA 11 -3.146 -3.484 0.893 75 H ASP 12 HN ASP 12 -5.982 -0.943 3.612 76 HA ASP 12 HA ASP 12 -8.351 -2.484 3.214 77 1HB ASP 12 HB2 ASP 12 -8.349 0.518 3.566 78 2HB ASP 12 HB1 ASP 12 -9.523 -0.657 4.170 79 H CYS 13 HN CYS 13 -8.463 -3.009 0.975 80 HA CYS 13 HA CYS 13 -8.249 -1.146 -1.161 81 1HB CYS 13 HB2 CYS 13 -10.154 -3.478 -1.285 82 2HB CYS 13 HB1 CYS 13 -9.129 -2.819 -2.561 83 H ASP 14 HN ASP 14 -9.390 0.761 -0.571 84 HA ASP 14 HA ASP 14 -12.195 0.699 0.159 85 1HB ASP 14 HB2 ASP 14 -10.234 2.848 -0.607 86 2HB ASP 14 HB1 ASP 14 -11.957 3.225 -0.496 87 HA PRO 15 HA PRO 15 -13.673 0.180 -3.941 88 1HB PRO 15 HB2 PRO 15 -16.292 1.131 -3.241 89 2HB PRO 15 HB1 PRO 15 -15.773 -0.543 -3.478 90 1HG PRO 15 HG2 PRO 15 -16.415 0.768 -0.994 91 2HG PRO 15 HG1 PRO 15 -15.904 -0.907 -1.238 92 1HD PRO 15 HD2 PRO 15 -14.378 1.250 -0.102 93 2HD PRO 15 HD1 PRO 15 -13.865 -0.427 -0.364 94 H ASN 16 HN ASN 16 -13.623 3.096 -2.141 95 HA ASN 16 HA ASN 16 -14.509 4.707 -4.481 96 1HB ASN 16 HB2 ASN 16 -13.801 5.632 -1.681 97 2HB ASN 16 HB1 ASN 16 -14.586 6.587 -2.940 98 1HD2 ASN 16 HD22 ASN 16 -17.795 5.410 -2.109 99 2HD2 ASN 16 HD21 ASN 16 -16.841 6.570 -2.916 100 H THR 17 HN THR 17 -11.686 3.837 -2.621 101 HA THR 17 HA THR 17 -10.044 5.466 -4.506 102 HB THR 17 HB THR 17 -9.983 6.738 -2.478 103 HG1 THR 17 HG1 THR 17 -7.878 6.772 -2.324 104 1HG2 THR 17 HG22 THR 17 -10.850 4.652 -1.158 105 2HG2 THR 17 HG21 THR 17 -9.137 4.343 -0.877 106 3HG2 THR 17 HG23 THR 17 -9.863 5.852 -0.322 107 H GLN 18 HN GLN 18 -10.671 2.728 -4.763 108 HA GLN 18 HA GLN 18 -9.054 0.781 -3.675 109 1HB GLN 18 HB2 GLN 18 -10.595 0.182 -5.414 110 2HB GLN 18 HB1 GLN 18 -9.786 1.229 -6.580 111 1HG GLN 18 HG2 GLN 18 -9.135 -1.094 -6.980 112 2HG GLN 18 HG1 GLN 18 -7.744 -0.188 -6.383 113 1HE2 GLN 18 HE22 GLN 18 -7.660 -1.887 -3.234 114 2HE2 GLN 18 HE21 GLN 18 -7.199 -0.459 -4.041 115 H ALA 19 HN ALA 19 -6.974 1.448 -3.033 116 HA ALA 19 HA ALA 19 -4.889 1.294 -4.996 117 1HB ALA 19 HB1 ALA 19 -6.067 3.879 -4.701 118 2HB ALA 19 HB3 ALA 19 -4.453 3.933 -3.992 119 3HB ALA 19 HB2 ALA 19 -4.662 3.426 -5.668 120 H SER 20 HN SER 20 -5.652 0.351 -2.257 121 HA SER 20 HA SER 20 -3.190 1.272 -0.860 122 1HB SER 20 HB2 SER 20 -5.500 1.855 0.173 123 2HB SER 20 HB1 SER 20 -5.571 0.146 0.590 124 HG SER 20 HG SER 20 -4.570 1.052 2.291 125 H CYS 21 HN CYS 21 -4.793 -1.316 -2.228 126 HA CYS 21 HA CYS 21 -2.890 -3.180 -0.911 127 1HB CYS 21 HB2 CYS 21 -4.566 -4.995 -1.165 128 2HB CYS 21 HB1 CYS 21 -5.132 -3.701 -0.103 129 H GLU 22 HN GLU 22 -3.772 -1.752 -3.724 130 HA GLU 22 HA GLU 22 -3.003 -3.994 -5.467 131 1HB GLU 22 HB2 GLU 22 -3.466 -1.115 -6.274 132 2HB GLU 22 HB1 GLU 22 -3.495 -2.535 -7.321 133 1HG GLU 22 HG2 GLU 22 -5.352 -3.150 -5.347 134 2HG GLU 22 HG1 GLU 22 -5.616 -1.431 -5.640 135 H CYS 23 HN CYS 23 -1.671 -1.499 -3.747 136 HA CYS 23 HA CYS 23 0.411 -0.565 -3.539 137 1HB CYS 23 HB2 CYS 23 0.853 -3.389 -4.392 138 2HB CYS 23 HB1 CYS 23 2.244 -2.318 -4.196 139 HA PRO 24 HA PRO 24 1.690 1.504 -7.102 140 1HB PRO 24 HB2 PRO 24 4.455 1.228 -6.016 141 2HB PRO 24 HB1 PRO 24 3.575 2.693 -6.494 142 1HG PRO 24 HG2 PRO 24 3.966 1.908 -3.867 143 2HG PRO 24 HG1 PRO 24 2.663 2.971 -4.404 144 1HD PRO 24 HD2 PRO 24 2.458 0.237 -3.417 145 2HD PRO 24 HD1 PRO 24 1.157 1.388 -3.780 146 H GLU 25 HN GLU 25 4.073 1.207 -8.500 147 HA GLU 25 HA GLU 25 3.649 -1.109 -10.045 148 1HB GLU 25 HB2 GLU 25 5.636 0.992 -9.903 149 2HB GLU 25 HB1 GLU 25 6.404 -0.561 -10.237 150 1HG GLU 25 HG2 GLU 25 4.225 -0.699 -11.877 151 2HG GLU 25 HG1 GLU 25 4.565 1.031 -11.917 152 H GLY 26 HN GLY 26 3.400 -2.908 -8.651 153 1HA GLY 26 HA2 GLY 26 4.137 -4.788 -7.464 154 2HA GLY 26 HA1 GLY 26 5.720 -4.473 -8.185 155 H TYR 27 HN TYR 27 4.111 -2.087 -6.165 156 HA TYR 27 HA TYR 27 6.268 -1.514 -4.524 157 1HB TYR 27 HB2 TYR 27 3.670 -0.700 -4.565 158 2HB TYR 27 HB1 TYR 27 3.699 -1.630 -3.064 159 HD1 TYR 27 HD1 TYR 27 6.542 0.265 -4.584 160 HD2 TYR 27 HD2 TYR 27 3.627 0.101 -1.430 161 HE1 TYR 27 HE1 TYR 27 7.671 2.146 -3.440 162 HE2 TYR 27 HE2 TYR 27 4.758 1.990 -0.296 163 HH TYR 27 HH TYR 27 6.885 3.074 -0.211 164 H ILE 28 HN ILE 28 3.843 -4.063 -4.081 165 HA ILE 28 HA ILE 28 4.076 -6.133 -3.006 166 HB ILE 28 HB ILE 28 6.748 -5.286 -3.357 167 1HG1 ILE 28 HG12 ILE 28 6.980 -7.867 -2.572 168 2HG1 ILE 28 HG11 ILE 28 5.239 -7.788 -2.867 169 1HG2 ILE 28 HG22 ILE 28 6.256 -6.288 -0.536 170 2HG2 ILE 28 HG21 ILE 28 7.839 -6.203 -1.309 171 3HG2 ILE 28 HG23 ILE 28 6.934 -4.724 -0.988 172 1HD1 ILE 28 HD13 ILE 28 7.046 -6.561 -4.905 173 2HD1 ILE 28 HD12 ILE 28 6.963 -8.322 -4.839 174 3HD1 ILE 28 HD11 ILE 28 5.499 -7.380 -5.123 175 H LEU 29 HN LEU 29 2.768 -6.318 -1.268 176 HA LEU 29 HA LEU 29 2.366 -4.379 0.727 177 1HB LEU 29 HB2 LEU 29 1.637 -7.189 0.300 178 2HB LEU 29 HB1 LEU 29 1.781 -6.762 2.009 179 HG LEU 29 HG LEU 29 0.227 -5.098 0.024 180 1HD1 LEU 29 HD13 LEU 29 -0.677 -7.452 0.277 181 2HD1 LEU 29 HD12 LEU 29 -0.890 -7.112 1.995 182 3HD1 LEU 29 HD11 LEU 29 -1.788 -6.184 0.793 183 1HD2 LEU 29 HD21 LEU 29 0.796 -5.049 2.942 184 2HD2 LEU 29 HD23 LEU 29 0.464 -3.712 1.840 185 3HD2 LEU 29 HD22 LEU 29 -0.865 -4.683 2.474 186 H ASP 30 HN ASP 30 2.630 -5.602 3.202 187 HA ASP 30 HA ASP 30 5.572 -6.061 3.469 188 1HB ASP 30 HB2 ASP 30 4.415 -3.705 4.184 189 2HB ASP 30 HB1 ASP 30 4.232 -4.617 5.683 190 H ASP 31 HN ASP 31 5.500 -6.335 6.305 191 HA ASP 31 HA ASP 31 4.394 -9.039 6.483 192 1HB ASP 31 HB2 ASP 31 5.464 -9.122 8.655 193 2HB ASP 31 HB1 ASP 31 6.582 -8.354 7.527 194 H GLY 32 HN GLY 32 3.054 -6.015 6.837 195 1HA GLY 32 HA2 GLY 32 0.968 -7.109 8.672 196 2HA GLY 32 HA1 GLY 32 1.561 -5.459 8.866 197 H PHE 33 HN PHE 33 0.812 -7.248 5.890 198 HA PHE 33 HA PHE 33 -0.461 -6.518 4.053 199 1HB PHE 33 HB2 PHE 33 -2.309 -5.996 6.398 200 2HB PHE 33 HB1 PHE 33 -2.823 -5.910 4.710 201 HD1 PHE 33 HD1 PHE 33 -1.434 -8.163 7.322 202 HD2 PHE 33 HD2 PHE 33 -3.212 -7.885 3.422 203 HE1 PHE 33 HE1 PHE 33 -1.727 -10.625 7.280 204 HE2 PHE 33 HE2 PHE 33 -3.505 -10.347 3.380 205 HZ PHE 33 HZ PHE 33 -2.762 -11.718 5.309 206 H ILE 34 HN ILE 34 1.324 -4.503 5.415 207 HA ILE 34 HA ILE 34 -0.187 -1.998 4.875 208 HB ILE 34 HB ILE 34 2.650 -2.324 5.898 209 1HG1 ILE 34 HG12 ILE 34 1.093 -3.222 7.543 210 2HG1 ILE 34 HG11 ILE 34 1.649 -1.638 8.095 211 1HG2 ILE 34 HG23 ILE 34 1.710 -0.160 4.672 212 2HG2 ILE 34 HG22 ILE 34 0.954 0.132 6.238 213 3HG2 ILE 34 HG21 ILE 34 2.707 -0.004 6.117 214 1HD1 ILE 34 HD12 ILE 34 -0.497 -0.901 6.624 215 2HD1 ILE 34 HD11 ILE 34 -1.037 -2.484 7.174 216 3HD1 ILE 34 HD13 ILE 34 -0.586 -1.248 8.348 217 H CYS 35 HN CYS 35 -0.116 -1.378 2.760 218 HA CYS 35 HA CYS 35 1.949 -2.360 0.969 219 1HB CYS 35 HB2 CYS 35 -0.337 -1.672 0.180 220 2HB CYS 35 HB1 CYS 35 0.106 0.008 0.515 221 H THR 36 HN THR 36 4.000 -1.735 1.596 222 HA THR 36 HA THR 36 4.697 1.085 1.272 223 HB THR 36 HB THR 36 4.072 1.408 3.474 224 HG1 THR 36 HG1 THR 36 6.172 0.873 4.715 225 1HG2 THR 36 HG23 THR 36 4.964 -1.441 3.902 226 2HG2 THR 36 HG22 THR 36 4.566 -0.369 5.244 227 3HG2 THR 36 HG21 THR 36 3.338 -0.779 4.047 228 H ASP 37 HN ASP 37 7.175 1.281 2.079 229 HA ASP 37 HA ASP 37 8.754 -1.140 1.918 230 1HB ASP 37 HB2 ASP 37 7.858 -0.584 -0.507 231 2HB ASP 37 HB1 ASP 37 9.149 0.617 -0.479 232 H ILE 38 HN ILE 38 10.548 -0.647 3.073 233 HA ILE 38 HA ILE 38 11.698 2.093 2.807 234 HB ILE 38 HB ILE 38 11.966 2.311 5.178 235 1HG1 ILE 38 HG12 ILE 38 10.851 -0.506 5.407 236 2HG1 ILE 38 HG11 ILE 38 12.558 -0.079 5.581 237 1HG2 ILE 38 HG21 ILE 38 9.635 2.648 4.151 238 2HG2 ILE 38 HG23 ILE 38 9.217 1.093 4.871 239 3HG2 ILE 38 HG22 ILE 38 9.703 2.440 5.901 240 1HD1 ILE 38 HD12 ILE 38 10.721 1.529 7.239 241 2HD1 ILE 38 HD11 ILE 38 10.777 -0.183 7.660 242 3HD1 ILE 38 HD13 ILE 38 12.258 0.775 7.666 243 H ASP 39 HN ASP 39 12.171 -1.287 3.780 244 HA ASP 39 HA ASP 39 14.820 -1.328 2.601 245 1HB ASP 39 HB2 ASP 39 14.507 -0.879 5.521 246 2HB ASP 39 HB1 ASP 39 15.693 -2.099 5.044 247 H GLU 40 HN GLU 40 14.043 -3.160 5.500 248 HA GLU 40 HA GLU 40 13.770 -5.582 3.778 249 1HB GLU 40 HB2 GLU 40 15.560 -5.327 5.677 250 2HB GLU 40 HB1 GLU 40 14.203 -5.663 6.753 251 1HG GLU 40 HG2 GLU 40 13.726 -7.696 5.263 252 2HG GLU 40 HG1 GLU 40 15.322 -7.421 4.565 No H/Q in entry = 252 Start of MODEL 2 1 1H GLN 1 HT1 GLN 1 0.069 2.556 -8.089 2 2H GLN 1 HT3 GLN 1 -1.045 3.115 -9.240 3 3H GLN 1 HT2 GLN 1 0.615 3.097 -9.604 4 HA GLN 1 HA GLN 1 1.068 4.956 -8.418 5 1HB GLN 1 HB2 GLN 1 -1.241 5.070 -9.972 6 2HB GLN 1 HB1 GLN 1 -1.712 5.851 -8.461 7 1HG GLN 1 HG2 GLN 1 0.165 7.384 -8.603 8 2HG GLN 1 HG1 GLN 1 0.798 6.539 -10.017 9 1HE2 GLN 1 HE22 GLN 1 -1.132 9.474 -11.266 10 2HE2 GLN 1 HE21 GLN 1 0.254 9.257 -10.311 11 H MET 2 HN MET 2 0.826 6.197 -6.459 12 HA MET 2 HA MET 2 0.385 6.441 -4.170 13 1HB MET 2 HB2 MET 2 -2.130 5.713 -5.413 14 2HB MET 2 HB1 MET 2 -2.029 5.044 -3.784 15 1HG MET 2 HG2 MET 2 -1.400 7.283 -2.920 16 2HG MET 2 HG1 MET 2 -1.566 7.943 -4.547 17 1HE MET 2 HE3 MET 2 -2.722 9.391 -2.709 18 2HE MET 2 HE2 MET 2 -3.752 9.734 -4.096 19 3HE MET 2 HE1 MET 2 -4.482 9.387 -2.530 20 H PHE 3 HN PHE 3 1.496 5.277 -2.693 21 HA PHE 3 HA PHE 3 1.259 2.298 -2.778 22 1HB PHE 3 HB2 PHE 3 3.490 3.204 -1.192 23 2HB PHE 3 HB1 PHE 3 3.509 2.214 -2.647 24 HD1 PHE 3 HD2 PHE 3 3.622 5.677 -1.346 25 HD2 PHE 3 HD1 PHE 3 3.983 3.171 -4.815 26 HE1 PHE 3 HE2 PHE 3 4.571 7.580 -2.622 27 HE2 PHE 3 HE1 PHE 3 4.932 5.074 -6.091 28 HZ PHE 3 HZ PHE 3 5.226 7.278 -4.995 29 H CYS 4 HN CYS 4 -0.630 2.315 -1.332 30 HA CYS 4 HA CYS 4 -1.564 2.143 0.814 31 1HB CYS 4 HB2 CYS 4 0.045 1.049 2.004 32 2HB CYS 4 HB1 CYS 4 1.348 1.970 1.260 33 H ASN 5 HN ASN 5 -2.073 3.608 2.698 34 HA ASN 5 HA ASN 5 -2.269 6.350 1.782 35 1HB ASN 5 HB2 ASN 5 -3.456 4.706 3.837 36 2HB ASN 5 HB1 ASN 5 -2.908 6.235 4.533 37 1HD2 ASN 5 HD22 ASN 5 -5.766 7.853 3.272 38 2HD2 ASN 5 HD21 ASN 5 -4.682 7.624 4.569 39 H GLN 6 HN GLN 6 -0.058 6.979 1.608 40 HA GLN 6 HA GLN 6 1.652 8.369 2.498 41 1HB GLN 6 HB2 GLN 6 -0.040 8.492 4.551 42 2HB GLN 6 HB1 GLN 6 1.165 7.440 5.294 43 1HG GLN 6 HG2 GLN 6 2.697 9.105 5.452 44 2HG GLN 6 HG1 GLN 6 2.312 9.732 3.848 45 1HE2 GLN 6 HE22 GLN 6 -0.331 10.934 6.758 46 2HE2 GLN 6 HE21 GLN 6 0.087 9.285 6.631 47 H THR 7 HN THR 7 3.483 7.404 1.866 48 HA THR 7 HA THR 7 5.090 5.674 1.594 49 HB THR 7 HB THR 7 5.163 6.485 4.508 50 HG1 THR 7 HG1 THR 7 6.754 7.860 3.762 51 1HG2 THR 7 HG21 THR 7 6.963 4.714 2.877 52 2HG2 THR 7 HG23 THR 7 7.631 5.694 4.182 53 3HG2 THR 7 HG22 THR 7 6.389 4.491 4.530 54 H ALA 8 HN ALA 8 4.420 4.790 4.909 55 HA ALA 8 HA ALA 8 3.402 2.153 3.932 56 1HB ALA 8 HB3 ALA 8 5.823 2.235 4.863 57 2HB ALA 8 HB2 ALA 8 5.053 2.433 6.437 58 3HB ALA 8 HB1 ALA 8 4.741 0.986 5.478 59 H CYS 9 HN CYS 9 1.819 1.160 5.221 60 HA CYS 9 HA CYS 9 0.860 2.426 7.701 61 1HB CYS 9 HB2 CYS 9 -1.364 3.017 6.698 62 2HB CYS 9 HB1 CYS 9 -0.046 3.916 5.968 63 HA PRO 10 HA PRO 10 -0.748 -1.746 7.017 64 1HB PRO 10 HB2 PRO 10 -3.435 -1.581 7.946 65 2HB PRO 10 HB1 PRO 10 -1.970 -1.744 8.929 66 1HG PRO 10 HG2 PRO 10 -3.646 0.555 8.708 67 2HG PRO 10 HG1 PRO 10 -2.118 0.417 9.590 68 1HD PRO 10 HD2 PRO 10 -2.669 1.725 7.055 69 2HD PRO 10 HD1 PRO 10 -1.253 1.852 8.114 70 H ALA 11 HN ALA 11 -1.980 0.051 4.745 71 HA ALA 11 HA ALA 11 -3.015 -0.408 2.705 72 1HB ALA 11 HB1 ALA 11 -2.021 -2.942 3.648 73 2HB ALA 11 HB3 ALA 11 -3.574 -3.186 2.848 74 3HB ALA 11 HB2 ALA 11 -2.251 -2.402 1.985 75 H ASP 12 HN ASP 12 -4.995 0.582 2.954 76 HA ASP 12 HA ASP 12 -7.210 -1.155 3.960 77 1HB ASP 12 HB2 ASP 12 -6.677 1.769 4.516 78 2HB ASP 12 HB1 ASP 12 -8.289 1.066 4.689 79 H CYS 13 HN CYS 13 -7.613 -1.703 1.722 80 HA CYS 13 HA CYS 13 -8.019 0.267 -0.324 81 1HB CYS 13 HB2 CYS 13 -8.917 -2.604 -0.013 82 2HB CYS 13 HB1 CYS 13 -9.336 -1.641 -1.433 83 H ASP 14 HN ASP 14 -10.106 0.900 -1.268 84 HA ASP 14 HA ASP 14 -12.449 0.600 0.534 85 1HB ASP 14 HB2 ASP 14 -10.862 2.974 0.344 86 2HB ASP 14 HB1 ASP 14 -12.428 3.296 -0.410 87 HA PRO 15 HA PRO 15 -14.548 0.895 -3.301 88 1HB PRO 15 HB2 PRO 15 -16.589 2.824 -2.702 89 2HB PRO 15 HB1 PRO 15 -16.694 1.062 -2.590 90 1HG PRO 15 HG2 PRO 15 -16.563 2.956 -0.427 91 2HG PRO 15 HG1 PRO 15 -16.663 1.193 -0.322 92 1HD PRO 15 HD2 PRO 15 -14.385 2.869 0.226 93 2HD PRO 15 HD1 PRO 15 -14.494 1.103 0.342 94 H ASN 16 HN ASN 16 -13.875 4.148 -2.084 95 HA ASN 16 HA ASN 16 -13.692 5.073 -4.924 96 1HB ASN 16 HB2 ASN 16 -14.616 6.482 -2.426 97 2HB ASN 16 HB1 ASN 16 -14.006 7.401 -3.803 98 1HD2 ASN 16 HD22 ASN 16 -17.641 5.538 -4.065 99 2HD2 ASN 16 HD21 ASN 16 -16.610 5.224 -2.743 100 H THR 17 HN THR 17 -11.525 3.779 -3.679 101 HA THR 17 HA THR 17 -9.413 5.622 -4.110 102 HB THR 17 HB THR 17 -10.323 6.587 -1.955 103 HG1 THR 17 HG1 THR 17 -8.339 7.102 -1.483 104 1HG2 THR 17 HG22 THR 17 -10.351 3.871 -1.216 105 2HG2 THR 17 HG21 THR 17 -9.079 4.614 -0.247 106 3HG2 THR 17 HG23 THR 17 -10.720 5.256 -0.188 107 H GLN 18 HN GLN 18 -9.712 3.119 -5.019 108 HA GLN 18 HA GLN 18 -8.659 1.010 -3.407 109 1HB GLN 18 HB2 GLN 18 -8.215 -0.128 -5.558 110 2HB GLN 18 HB1 GLN 18 -9.820 0.604 -5.545 111 1HG GLN 18 HG2 GLN 18 -9.184 2.343 -6.979 112 2HG GLN 18 HG1 GLN 18 -7.471 2.160 -6.597 113 1HE2 GLN 18 HE22 GLN 18 -8.450 0.538 -9.949 114 2HE2 GLN 18 HE21 GLN 18 -8.917 2.037 -9.282 115 H ALA 19 HN ALA 19 -6.475 -0.002 -4.827 116 HA ALA 19 HA ALA 19 -4.149 0.230 -5.097 117 1HB ALA 19 HB3 ALA 19 -5.097 2.608 -6.027 118 2HB ALA 19 HB2 ALA 19 -4.127 3.158 -4.660 119 3HB ALA 19 HB1 ALA 19 -3.382 2.205 -5.943 120 H SER 20 HN SER 20 -5.785 0.451 -2.412 121 HA SER 20 HA SER 20 -3.584 1.565 -0.748 122 1HB SER 20 HB2 SER 20 -6.313 1.868 -0.521 123 2HB SER 20 HB1 SER 20 -5.994 0.575 0.631 124 HG SER 20 HG SER 20 -4.945 3.197 0.536 125 H CYS 21 HN CYS 21 -3.973 -1.193 -2.162 126 HA CYS 21 HA CYS 21 -2.703 -2.690 0.030 127 1HB CYS 21 HB2 CYS 21 -4.878 -4.162 -1.399 128 2HB CYS 21 HB1 CYS 21 -4.203 -4.435 0.210 129 H GLU 22 HN GLU 22 -2.260 -5.082 -1.054 130 HA GLU 22 HA GLU 22 -0.841 -6.071 -2.661 131 1HB GLU 22 HB2 GLU 22 -1.987 -4.672 -4.968 132 2HB GLU 22 HB1 GLU 22 -1.980 -6.396 -4.602 133 1HG GLU 22 HG2 GLU 22 -3.812 -5.810 -2.852 134 2HG GLU 22 HG1 GLU 22 -3.975 -4.302 -3.753 135 H CYS 23 HN CYS 23 -0.360 -3.317 -1.549 136 HA CYS 23 HA CYS 23 0.742 -1.275 -2.215 137 1HB CYS 23 HB2 CYS 23 2.086 -3.149 -0.937 138 2HB CYS 23 HB1 CYS 23 3.011 -3.212 -2.435 139 HA PRO 24 HA PRO 24 0.437 -0.146 -6.569 140 1HB PRO 24 HB2 PRO 24 3.385 -0.136 -5.987 141 2HB PRO 24 HB1 PRO 24 2.411 1.058 -6.870 142 1HG PRO 24 HG2 PRO 24 3.132 1.373 -4.248 143 2HG PRO 24 HG1 PRO 24 1.655 2.071 -4.932 144 1HD PRO 24 HD2 PRO 24 1.907 -0.055 -2.984 145 2HD PRO 24 HD1 PRO 24 0.438 0.757 -3.533 146 H GLU 25 HN GLU 25 0.498 -1.279 -8.465 147 HA GLU 25 HA GLU 25 1.307 -4.007 -8.552 148 1HB GLU 25 HB2 GLU 25 0.245 -2.072 -10.406 149 2HB GLU 25 HB1 GLU 25 1.592 -2.918 -11.169 150 1HG GLU 25 HG2 GLU 25 0.164 -4.921 -9.826 151 2HG GLU 25 HG1 GLU 25 -1.074 -3.898 -10.554 152 H GLY 26 HN GLY 26 3.357 -4.200 -7.682 153 1HA GLY 26 HA2 GLY 26 5.652 -4.518 -8.868 154 2HA GLY 26 HA1 GLY 26 5.573 -2.758 -9.047 155 H TYR 27 HN TYR 27 4.399 -2.074 -6.568 156 HA TYR 27 HA TYR 27 6.587 -1.859 -4.862 157 1HB TYR 27 HB2 TYR 27 3.832 -1.254 -4.577 158 2HB TYR 27 HB1 TYR 27 4.270 -2.278 -3.213 159 HD1 TYR 27 HD1 TYR 27 6.089 -1.640 -1.651 160 HD2 TYR 27 HD2 TYR 27 4.811 0.954 -4.828 161 HE1 TYR 27 HE1 TYR 27 7.299 0.253 -0.599 162 HE2 TYR 27 HE2 TYR 27 6.012 2.847 -3.770 163 HH TYR 27 HH TYR 27 8.344 2.564 -1.612 164 H ILE 28 HN ILE 28 3.897 -4.121 -4.384 165 HA ILE 28 HA ILE 28 4.032 -6.474 -4.063 166 HB ILE 28 HB ILE 28 6.623 -6.137 -4.599 167 1HG1 ILE 28 HG12 ILE 28 5.909 -8.542 -2.952 168 2HG1 ILE 28 HG11 ILE 28 5.034 -8.237 -4.457 169 1HG2 ILE 28 HG23 ILE 28 6.931 -5.304 -2.158 170 2HG2 ILE 28 HG22 ILE 28 6.751 -6.999 -1.712 171 3HG2 ILE 28 HG21 ILE 28 8.071 -6.502 -2.770 172 1HD1 ILE 28 HD11 ILE 28 7.702 -7.813 -5.140 173 2HD1 ILE 28 HD13 ILE 28 7.760 -9.209 -4.064 174 3HD1 ILE 28 HD12 ILE 28 6.754 -9.254 -5.512 175 H LEU 29 HN LEU 29 2.696 -6.859 -2.418 176 HA LEU 29 HA LEU 29 2.719 -5.505 0.079 177 1HB LEU 29 HB2 LEU 29 1.238 -7.665 -1.205 178 2HB LEU 29 HB1 LEU 29 1.457 -7.969 0.519 179 HG LEU 29 HG LEU 29 0.371 -5.447 -0.724 180 1HD1 LEU 29 HD13 LEU 29 -0.896 -7.699 0.840 181 2HD1 LEU 29 HD12 LEU 29 -1.676 -6.132 0.624 182 3HD1 LEU 29 HD11 LEU 29 -1.320 -7.141 -0.778 183 1HD2 LEU 29 HD21 LEU 29 1.229 -6.172 2.043 184 2HD2 LEU 29 HD23 LEU 29 1.330 -4.628 1.200 185 3HD2 LEU 29 HD22 LEU 29 -0.209 -5.166 1.864 186 H ASP 30 HN ASP 30 2.490 -7.792 1.860 187 HA ASP 30 HA ASP 30 3.850 -9.541 2.830 188 1HB ASP 30 HB2 ASP 30 5.364 -9.443 0.753 189 2HB ASP 30 HB1 ASP 30 6.277 -8.206 1.616 190 H ASP 31 HN ASP 31 5.714 -9.275 4.560 191 HA ASP 31 HA ASP 31 6.563 -8.049 6.389 192 1HB ASP 31 HB2 ASP 31 6.892 -6.260 4.505 193 2HB ASP 31 HB1 ASP 31 5.443 -5.522 5.188 194 H GLY 32 HN GLY 32 3.452 -8.524 5.475 195 1HA GLY 32 HA2 GLY 32 1.990 -8.839 7.562 196 2HA GLY 32 HA1 GLY 32 2.328 -7.136 7.860 197 H PHE 33 HN PHE 33 1.736 -8.525 4.654 198 HA PHE 33 HA PHE 33 0.087 -7.955 3.089 199 1HB PHE 33 HB2 PHE 33 -1.448 -8.049 5.689 200 2HB PHE 33 HB1 PHE 33 -2.249 -7.636 4.169 201 HD1 PHE 33 HD1 PHE 33 -0.810 -9.339 2.235 202 HD2 PHE 33 HD2 PHE 33 -2.196 -10.223 6.204 203 HE1 PHE 33 HE1 PHE 33 -0.942 -11.744 1.653 204 HE2 PHE 33 HE2 PHE 33 -2.329 -12.629 5.621 205 HZ PHE 33 HZ PHE 33 -1.702 -13.391 3.346 206 H ILE 34 HN ILE 34 1.657 -5.846 4.710 207 HA ILE 34 HA ILE 34 -0.190 -3.540 4.334 208 HB ILE 34 HB ILE 34 2.563 -3.590 5.587 209 1HG1 ILE 34 HG12 ILE 34 1.293 -4.787 7.150 210 2HG1 ILE 34 HG11 ILE 34 1.078 -3.126 7.706 211 1HG2 ILE 34 HG22 ILE 34 1.692 -1.438 4.541 212 2HG2 ILE 34 HG21 ILE 34 0.415 -1.456 5.747 213 3HG2 ILE 34 HG23 ILE 34 2.099 -1.332 6.250 214 1HD1 ILE 34 HD11 ILE 34 -0.969 -3.321 5.931 215 2HD1 ILE 34 HD13 ILE 34 -0.891 -4.982 6.500 216 3HD1 ILE 34 HD12 ILE 34 -1.137 -3.667 7.647 217 H CYS 35 HN CYS 35 0.424 -1.825 2.984 218 HA CYS 35 HA CYS 35 2.307 -2.663 0.860 219 1HB CYS 35 HB2 CYS 35 0.414 -1.712 -0.119 220 2HB CYS 35 HB1 CYS 35 0.268 -0.470 1.121 221 H THR 36 HN THR 36 4.399 -1.917 0.801 222 HA THR 36 HA THR 36 5.413 0.596 1.272 223 HB THR 36 HB THR 36 4.598 0.804 3.470 224 HG1 THR 36 HG1 THR 36 7.067 -0.435 4.015 225 1HG2 THR 36 HG21 THR 36 5.028 -2.124 3.480 226 2HG2 THR 36 HG23 THR 36 5.270 -1.311 5.026 227 3HG2 THR 36 HG22 THR 36 3.723 -1.173 4.189 228 H ASP 37 HN ASP 37 7.826 0.463 2.176 229 HA ASP 37 HA ASP 37 9.259 -1.942 2.325 230 1HB ASP 37 HB2 ASP 37 8.263 -1.447 -0.331 231 2HB ASP 37 HB1 ASP 37 10.025 -1.357 -0.341 232 H ILE 38 HN ILE 38 9.442 0.724 3.324 233 HA ILE 38 HA ILE 38 12.264 1.238 2.751 234 HB ILE 38 HB ILE 38 11.854 3.644 2.143 235 1HG1 ILE 38 HG12 ILE 38 9.002 2.629 1.889 236 2HG1 ILE 38 HG11 ILE 38 9.580 3.860 3.018 237 1HG2 ILE 38 HG21 ILE 38 12.296 1.800 0.462 238 2HG2 ILE 38 HG23 ILE 38 10.553 1.701 0.215 239 3HG2 ILE 38 HG22 ILE 38 11.417 3.186 -0.183 240 1HD1 ILE 38 HD12 ILE 38 10.430 5.047 0.822 241 2HD1 ILE 38 HD11 ILE 38 9.207 4.041 0.045 242 3HD1 ILE 38 HD13 ILE 38 8.738 5.189 1.300 243 H ASP 39 HN ASP 39 10.481 0.583 5.052 244 HA ASP 39 HA ASP 39 11.710 2.091 7.075 245 1HB ASP 39 HB2 ASP 39 9.605 3.551 5.732 246 2HB ASP 39 HB1 ASP 39 9.172 3.275 7.423 247 H GLU 40 HN GLU 40 11.373 -0.403 7.337 248 HA GLU 40 HA GLU 40 10.355 -2.156 8.524 249 1HB GLU 40 HB2 GLU 40 10.612 -0.223 10.268 250 2HB GLU 40 HB1 GLU 40 8.863 -0.068 10.098 251 1HG GLU 40 HG2 GLU 40 8.452 -2.040 11.168 252 2HG GLU 40 HG1 GLU 40 9.853 -2.835 10.449 No H/Q in entry = 252 Start of MODEL 3 1 1H GLN 1 HT1 GLN 1 0.712 6.674 -5.449 2 2H GLN 1 HT3 GLN 1 -0.107 7.058 -6.883 3 3H GLN 1 HT2 GLN 1 0.277 8.284 -5.771 4 HA GLN 1 HA GLN 1 -1.325 7.625 -4.257 5 1HB GLN 1 HB2 GLN 1 -2.113 7.598 -7.110 6 2HB GLN 1 HB1 GLN 1 -3.294 6.899 -6.001 7 1HG GLN 1 HG2 GLN 1 -2.630 9.112 -4.602 8 2HG GLN 1 HG1 GLN 1 -2.353 9.708 -6.239 9 1HE2 GLN 1 HE22 GLN 1 -5.786 10.128 -6.838 10 2HE2 GLN 1 HE21 GLN 1 -4.188 10.563 -7.212 11 H MET 2 HN MET 2 -0.223 5.063 -6.326 12 HA MET 2 HA MET 2 -1.944 3.076 -4.964 13 1HB MET 2 HB2 MET 2 0.174 2.650 -7.090 14 2HB MET 2 HB1 MET 2 -1.018 1.469 -6.545 15 1HG MET 2 HG2 MET 2 -2.249 2.248 -8.295 16 2HG MET 2 HG1 MET 2 -2.633 3.574 -7.198 17 1HE MET 2 HE2 MET 2 -3.042 5.474 -8.589 18 2HE MET 2 HE1 MET 2 -2.214 5.878 -10.090 19 3HE MET 2 HE3 MET 2 -3.124 4.368 -9.957 20 H PHE 3 HN PHE 3 0.393 4.650 -3.759 21 HA PHE 3 HA PHE 3 2.065 2.330 -2.902 22 1HB PHE 3 HB2 PHE 3 2.717 5.170 -2.192 23 2HB PHE 3 HB1 PHE 3 3.807 3.814 -2.479 24 HD1 PHE 3 HD1 PHE 3 3.355 2.732 -4.982 25 HD2 PHE 3 HD2 PHE 3 2.806 6.829 -3.815 26 HE1 PHE 3 HE1 PHE 3 3.616 3.439 -7.345 27 HE2 PHE 3 HE2 PHE 3 3.068 7.537 -6.178 28 HZ PHE 3 HZ PHE 3 3.472 5.842 -7.943 29 H CYS 4 HN CYS 4 -0.384 2.218 -1.765 30 HA CYS 4 HA CYS 4 -1.455 2.175 0.319 31 1HB CYS 4 HB2 CYS 4 0.036 1.445 1.877 32 2HB CYS 4 HB1 CYS 4 1.371 2.052 0.899 33 H ASN 5 HN ASN 5 -2.325 3.744 1.930 34 HA ASN 5 HA ASN 5 -3.148 6.163 0.981 35 1HB ASN 5 HB2 ASN 5 -2.338 5.486 3.818 36 2HB ASN 5 HB1 ASN 5 -3.171 6.984 3.387 37 1HD2 ASN 5 HD22 ASN 5 -6.283 5.347 2.667 38 2HD2 ASN 5 HD21 ASN 5 -5.353 6.736 2.325 39 H GLN 6 HN GLN 6 -0.338 6.074 3.216 40 HA GLN 6 HA GLN 6 0.703 8.473 1.764 41 1HB GLN 6 HB2 GLN 6 1.826 9.105 3.791 42 2HB GLN 6 HB1 GLN 6 0.175 8.678 4.243 43 1HG GLN 6 HG2 GLN 6 1.161 6.286 4.614 44 2HG GLN 6 HG1 GLN 6 2.713 7.122 4.680 45 1HE2 GLN 6 HE22 GLN 6 -0.059 7.994 7.608 46 2HE2 GLN 6 HE21 GLN 6 -0.609 7.521 6.064 47 H THR 7 HN THR 7 3.357 8.347 2.693 48 HA THR 7 HA THR 7 4.711 6.833 0.825 49 HB THR 7 HB THR 7 5.989 8.322 2.188 50 HG1 THR 7 HG1 THR 7 7.329 6.707 1.702 51 1HG2 THR 7 HG22 THR 7 4.363 7.866 4.187 52 2HG2 THR 7 HG21 THR 7 5.548 6.640 4.637 53 3HG2 THR 7 HG23 THR 7 6.030 8.333 4.524 54 H ALA 8 HN ALA 8 3.978 5.717 4.149 55 HA ALA 8 HA ALA 8 3.733 2.971 3.064 56 1HB ALA 8 HB1 ALA 8 6.054 3.148 3.893 57 2HB ALA 8 HB3 ALA 8 5.447 3.655 5.468 58 3HB ALA 8 HB2 ALA 8 5.104 2.033 4.874 59 H CYS 9 HN CYS 9 2.233 1.743 4.175 60 HA CYS 9 HA CYS 9 1.131 2.194 6.758 61 1HB CYS 9 HB2 CYS 9 -0.868 3.469 6.276 62 2HB CYS 9 HB1 CYS 9 0.488 4.403 5.651 63 HA PRO 10 HA PRO 10 -0.865 -1.493 5.876 64 1HB PRO 10 HB2 PRO 10 -3.560 -0.593 6.522 65 2HB PRO 10 HB1 PRO 10 -2.529 -1.745 7.385 66 1HG PRO 10 HG2 PRO 10 -3.112 0.925 8.166 67 2HG PRO 10 HG1 PRO 10 -1.931 -0.166 8.907 68 1HD PRO 10 HD2 PRO 10 -1.438 2.187 7.345 69 2HD PRO 10 HD1 PRO 10 -0.252 1.109 8.105 70 H ALA 11 HN ALA 11 -3.444 -2.015 4.917 71 HA ALA 11 HA ALA 11 -3.444 -0.542 2.313 72 1HB ALA 11 HB3 ALA 11 -3.781 -3.523 2.749 73 2HB ALA 11 HB2 ALA 11 -3.989 -2.701 1.203 74 3HB ALA 11 HB1 ALA 11 -2.406 -2.730 1.981 75 H ASP 12 HN ASP 12 -5.230 0.659 3.484 76 HA ASP 12 HA ASP 12 -7.712 -0.865 3.919 77 1HB ASP 12 HB2 ASP 12 -6.666 1.642 4.798 78 2HB ASP 12 HB1 ASP 12 -8.161 1.966 3.912 79 H CYS 13 HN CYS 13 -7.904 -1.619 1.681 80 HA CYS 13 HA CYS 13 -7.956 -0.160 -0.665 81 1HB CYS 13 HB2 CYS 13 -10.177 -2.109 -0.006 82 2HB CYS 13 HB1 CYS 13 -9.451 -1.779 -1.582 83 H ASP 14 HN ASP 14 -8.645 1.983 -0.404 84 HA ASP 14 HA ASP 14 -10.902 2.939 0.940 85 1HB ASP 14 HB2 ASP 14 -9.176 3.893 -1.243 86 2HB ASP 14 HB1 ASP 14 -10.805 4.578 -1.271 87 HA PRO 15 HA PRO 15 -14.172 1.738 -1.715 88 1HB PRO 15 HB2 PRO 15 -15.942 3.881 -1.020 89 2HB PRO 15 HB1 PRO 15 -15.868 2.265 -0.305 90 1HG PRO 15 HG2 PRO 15 -15.038 4.756 0.880 91 2HG PRO 15 HG1 PRO 15 -14.979 3.139 1.594 92 1HD PRO 15 HD2 PRO 15 -12.776 4.728 0.627 93 2HD PRO 15 HD1 PRO 15 -12.719 3.117 1.365 94 H ASN 16 HN ASN 16 -12.496 4.533 -2.358 95 HA ASN 16 HA ASN 16 -13.904 4.866 -4.958 96 1HB ASN 16 HB2 ASN 16 -12.888 7.237 -3.381 97 2HB ASN 16 HB1 ASN 16 -13.964 7.237 -4.778 98 1HD2 ASN 16 HD22 ASN 16 -16.731 5.899 -2.699 99 2HD2 ASN 16 HD21 ASN 16 -15.947 5.462 -4.150 100 H THR 17 HN THR 17 -11.501 3.465 -4.186 101 HA THR 17 HA THR 17 -9.696 4.171 -6.175 102 HB THR 17 HB THR 17 -9.503 5.839 -3.725 103 HG1 THR 17 HG1 THR 17 -8.920 7.296 -5.197 104 1HG2 THR 17 HG21 THR 17 -7.181 4.316 -4.811 105 2HG2 THR 17 HG23 THR 17 -6.926 6.000 -4.354 106 3HG2 THR 17 HG22 THR 17 -7.510 4.840 -3.160 107 H GLN 18 HN GLN 18 -9.719 1.853 -6.091 108 HA GLN 18 HA GLN 18 -8.782 0.461 -3.696 109 1HB GLN 18 HB2 GLN 18 -10.405 -0.627 -5.172 110 2HB GLN 18 HB1 GLN 18 -9.276 -0.522 -6.524 111 1HG GLN 18 HG2 GLN 18 -7.993 -2.254 -5.763 112 2HG GLN 18 HG1 GLN 18 -8.230 -1.819 -4.070 113 1HE2 GLN 18 HE22 GLN 18 -11.384 -3.849 -5.771 114 2HE2 GLN 18 HE21 GLN 18 -10.650 -2.574 -6.635 115 H ALA 19 HN ALA 19 -6.723 1.824 -3.691 116 HA ALA 19 HA ALA 19 -4.644 0.409 -5.298 117 1HB ALA 19 HB3 ALA 19 -5.282 2.852 -6.040 118 2HB ALA 19 HB2 ALA 19 -4.340 3.322 -4.625 119 3HB ALA 19 HB1 ALA 19 -3.583 2.396 -5.920 120 H SER 20 HN SER 20 -5.814 0.974 -2.291 121 HA SER 20 HA SER 20 -3.231 1.459 -0.984 122 1HB SER 20 HB2 SER 20 -6.024 1.609 -0.215 123 2HB SER 20 HB1 SER 20 -5.090 0.703 0.972 124 HG SER 20 HG SER 20 -5.229 3.230 0.886 125 H CYS 21 HN CYS 21 -4.735 -1.155 -2.284 126 HA CYS 21 HA CYS 21 -3.184 -2.961 -0.509 127 1HB CYS 21 HB2 CYS 21 -5.048 -4.690 -1.362 128 2HB CYS 21 HB1 CYS 21 -5.232 -3.749 0.120 129 H GLU 22 HN GLU 22 -3.228 -1.646 -3.407 130 HA GLU 22 HA GLU 22 -2.374 -4.100 -4.872 131 1HB GLU 22 HB2 GLU 22 -2.612 -2.842 -6.897 132 2HB GLU 22 HB1 GLU 22 -4.024 -2.425 -5.926 133 1HG GLU 22 HG2 GLU 22 -2.944 -0.365 -5.176 134 2HG GLU 22 HG1 GLU 22 -1.470 -0.793 -6.044 135 H CYS 23 HN CYS 23 -1.039 -2.654 -2.689 136 HA CYS 23 HA CYS 23 0.911 -1.126 -2.495 137 1HB CYS 23 HB2 CYS 23 2.166 -3.811 -2.804 138 2HB CYS 23 HB1 CYS 23 2.337 -2.628 -1.507 139 HA PRO 24 HA PRO 24 2.719 0.700 -6.080 140 1HB PRO 24 HB2 PRO 24 5.161 -0.629 -5.008 141 2HB PRO 24 HB1 PRO 24 4.914 1.059 -5.501 142 1HG PRO 24 HG2 PRO 24 4.993 0.300 -2.878 143 2HG PRO 24 HG1 PRO 24 4.034 1.672 -3.447 144 1HD PRO 24 HD2 PRO 24 3.111 -0.977 -2.520 145 2HD PRO 24 HD1 PRO 24 2.211 0.546 -2.640 146 H GLU 25 HN GLU 25 1.395 -1.266 -7.063 147 HA GLU 25 HA GLU 25 1.419 -3.360 -8.264 148 1HB GLU 25 HB2 GLU 25 1.809 -1.209 -9.706 149 2HB GLU 25 HB1 GLU 25 3.430 -1.871 -9.915 150 1HG GLU 25 HG2 GLU 25 2.070 -2.680 -11.741 151 2HG GLU 25 HG1 GLU 25 2.367 -4.034 -10.651 152 H GLY 26 HN GLY 26 2.467 -4.992 -7.121 153 1HA GLY 26 HA2 GLY 26 4.187 -6.694 -7.300 154 2HA GLY 26 HA1 GLY 26 5.288 -5.463 -7.932 155 H TYR 27 HN TYR 27 4.267 -3.588 -5.723 156 HA TYR 27 HA TYR 27 6.363 -3.863 -3.895 157 1HB TYR 27 HB2 TYR 27 4.161 -2.176 -4.123 158 2HB TYR 27 HB1 TYR 27 3.941 -2.956 -2.551 159 HD1 TYR 27 HD2 TYR 27 6.916 -1.829 -4.536 160 HD2 TYR 27 HD1 TYR 27 4.807 -1.659 -0.797 161 HE1 TYR 27 HE2 TYR 27 8.707 -0.400 -3.595 162 HE2 TYR 27 HE1 TYR 27 6.604 -0.226 0.141 163 HH TYR 27 HH TYR 27 8.689 1.447 -1.545 164 H ILE 28 HN ILE 28 3.422 -5.647 -4.171 165 HA ILE 28 HA ILE 28 2.463 -7.380 -2.972 166 HB ILE 28 HB ILE 28 3.939 -9.102 -2.200 167 1HG1 ILE 28 HG12 ILE 28 6.339 -7.319 -2.509 168 2HG1 ILE 28 HG11 ILE 28 5.434 -7.306 -0.991 169 1HG2 ILE 28 HG23 ILE 28 4.155 -7.833 -4.722 170 2HG2 ILE 28 HG22 ILE 28 5.779 -8.343 -4.260 171 3HG2 ILE 28 HG21 ILE 28 4.470 -9.523 -4.329 172 1HD1 ILE 28 HD13 ILE 28 6.363 -9.884 -2.265 173 2HD1 ILE 28 HD12 ILE 28 7.390 -8.971 -1.160 174 3HD1 ILE 28 HD11 ILE 28 5.846 -9.612 -0.600 175 H LEU 29 HN LEU 29 1.820 -8.106 -0.916 176 HA LEU 29 HA LEU 29 2.023 -6.021 1.137 177 1HB LEU 29 HB2 LEU 29 0.327 -8.415 0.635 178 2HB LEU 29 HB1 LEU 29 0.531 -7.928 2.320 179 HG LEU 29 HG LEU 29 -0.261 -6.043 0.114 180 1HD1 LEU 29 HD11 LEU 29 -1.909 -7.623 2.083 181 2HD1 LEU 29 HD13 LEU 29 -2.523 -6.175 1.285 182 3HD1 LEU 29 HD12 LEU 29 -2.068 -7.584 0.326 183 1HD2 LEU 29 HD23 LEU 29 0.451 -5.749 2.918 184 2HD2 LEU 29 HD22 LEU 29 0.194 -4.502 1.695 185 3HD2 LEU 29 HD21 LEU 29 -1.175 -5.147 2.596 186 H ASP 30 HN ASP 30 1.822 -7.452 3.448 187 HA ASP 30 HA ASP 30 4.116 -9.315 3.593 188 1HB ASP 30 HB2 ASP 30 4.034 -6.744 5.204 189 2HB ASP 30 HB1 ASP 30 5.256 -8.009 5.335 190 H ASP 31 HN ASP 31 4.362 -9.412 6.365 191 HA ASP 31 HA ASP 31 1.996 -10.894 7.089 192 1HB ASP 31 HB2 ASP 31 3.075 -11.249 9.208 193 2HB ASP 31 HB1 ASP 31 4.344 -11.282 7.983 194 H GLY 32 HN GLY 32 2.579 -7.588 6.974 195 1HA GLY 32 HA2 GLY 32 0.577 -7.060 9.125 196 2HA GLY 32 HA1 GLY 32 1.789 -5.894 8.600 197 H PHE 33 HN PHE 33 0.218 -7.789 6.169 198 HA PHE 33 HA PHE 33 -1.049 -7.010 4.340 199 1HB PHE 33 HB2 PHE 33 -2.566 -5.808 6.678 200 2HB PHE 33 HB1 PHE 33 -3.194 -5.944 5.032 201 HD1 PHE 33 HD2 PHE 33 -2.013 -7.885 7.975 202 HD2 PHE 33 HD1 PHE 33 -4.006 -8.019 4.172 203 HE1 PHE 33 HE2 PHE 33 -2.731 -10.214 8.433 204 HE2 PHE 33 HE1 PHE 33 -4.724 -10.347 4.630 205 HZ PHE 33 HZ PHE 33 -4.087 -11.445 6.760 206 H ILE 34 HN ILE 34 1.200 -5.272 5.351 207 HA ILE 34 HA ILE 34 0.169 -2.563 4.789 208 HB ILE 34 HB ILE 34 3.063 -3.313 5.194 209 1HG1 ILE 34 HG12 ILE 34 1.824 -4.184 7.116 210 2HG1 ILE 34 HG11 ILE 34 2.678 -2.712 7.595 211 1HG2 ILE 34 HG22 ILE 34 2.455 -1.058 4.281 212 2HG2 ILE 34 HG21 ILE 34 1.489 -0.776 5.727 213 3HG2 ILE 34 HG23 ILE 34 3.233 -0.966 5.861 214 1HD1 ILE 34 HD11 ILE 34 0.575 -1.422 7.116 215 2HD1 ILE 34 HD13 ILE 34 -0.248 -2.960 6.857 216 3HD1 ILE 34 HD12 ILE 34 0.416 -2.572 8.445 217 H CYS 35 HN CYS 35 0.710 -1.397 2.967 218 HA CYS 35 HA CYS 35 1.709 -3.060 0.711 219 1HB CYS 35 HB2 CYS 35 -0.055 -0.659 0.961 220 2HB CYS 35 HB1 CYS 35 0.882 -0.839 -0.526 221 H THR 36 HN THR 36 3.415 -1.763 2.830 222 HA THR 36 HA THR 36 5.039 0.031 1.064 223 HB THR 36 HB THR 36 4.122 1.149 3.075 224 HG1 THR 36 HG1 THR 36 6.262 1.571 2.156 225 1HG2 THR 36 HG23 THR 36 4.449 -1.211 4.313 226 2HG2 THR 36 HG22 THR 36 5.950 -0.427 4.804 227 3HG2 THR 36 HG21 THR 36 4.399 0.319 5.190 228 H ASP 37 HN ASP 37 7.448 -0.007 1.924 229 HA ASP 37 HA ASP 37 8.693 -2.007 3.317 230 1HB ASP 37 HB2 ASP 37 9.269 -3.658 1.388 231 2HB ASP 37 HB1 ASP 37 7.714 -3.828 2.201 232 H ILE 38 HN ILE 38 10.200 -0.282 3.401 233 HA ILE 38 HA ILE 38 11.906 -0.045 0.956 234 HB ILE 38 HB ILE 38 12.201 2.304 1.333 235 1HG1 ILE 38 HG12 ILE 38 10.589 1.908 3.877 236 2HG1 ILE 38 HG11 ILE 38 12.331 2.193 3.802 237 1HG2 ILE 38 HG23 ILE 38 9.917 1.365 0.426 238 2HG2 ILE 38 HG22 ILE 38 9.275 2.000 1.942 239 3HG2 ILE 38 HG21 ILE 38 10.068 3.083 0.797 240 1HD1 ILE 38 HD12 ILE 38 10.826 4.176 2.273 241 2HD1 ILE 38 HD11 ILE 38 10.363 4.157 3.975 242 3HD1 ILE 38 HD13 ILE 38 12.048 4.417 3.523 243 H ASP 39 HN ASP 39 12.107 -1.706 3.450 244 HA ASP 39 HA ASP 39 13.759 -2.313 5.004 245 1HB ASP 39 HB2 ASP 39 15.026 -1.624 2.611 246 2HB ASP 39 HB1 ASP 39 15.924 -0.738 3.848 247 H GLU 40 HN GLU 40 12.323 -0.496 6.191 248 HA GLU 40 HA GLU 40 14.183 1.006 7.816 249 1HB GLU 40 HB2 GLU 40 14.117 2.508 5.855 250 2HB GLU 40 HB1 GLU 40 12.359 2.587 5.977 251 1HG GLU 40 HG2 GLU 40 12.412 3.854 7.926 252 2HG GLU 40 HG1 GLU 40 14.012 3.270 8.384 No H/Q in entry = 252 Start of MODEL 4 1 1H GLN 1 HT3 GLN 1 -3.495 4.436 -6.491 2 2H GLN 1 HT2 GLN 1 -3.172 5.304 -7.916 3 3H GLN 1 HT1 GLN 1 -3.986 3.815 -7.991 4 HA GLN 1 HA GLN 1 -2.053 2.624 -7.311 5 1HB GLN 1 HB2 GLN 1 -2.338 3.928 -9.726 6 2HB GLN 1 HB1 GLN 1 -0.719 4.413 -9.223 7 1HG GLN 1 HG2 GLN 1 -0.008 2.414 -9.993 8 2HG GLN 1 HG1 GLN 1 -0.827 1.696 -8.605 9 1HE2 GLN 1 HE22 GLN 1 -3.773 0.837 -10.573 10 2HE2 GLN 1 HE21 GLN 1 -3.371 1.468 -9.050 11 H MET 2 HN MET 2 -1.813 3.822 -5.091 12 HA MET 2 HA MET 2 0.822 5.226 -5.152 13 1HB MET 2 HB2 MET 2 -1.630 5.960 -3.528 14 2HB MET 2 HB1 MET 2 -0.017 6.588 -3.189 15 1HG MET 2 HG2 MET 2 -0.046 7.986 -4.986 16 2HG MET 2 HG1 MET 2 -0.857 6.804 -6.013 17 1HE MET 2 HE2 MET 2 -0.915 9.899 -5.342 18 2HE MET 2 HE1 MET 2 -2.526 10.515 -4.983 19 3HE MET 2 HE3 MET 2 -1.453 10.013 -3.668 20 H PHE 3 HN PHE 3 2.281 4.196 -3.870 21 HA PHE 3 HA PHE 3 1.886 1.797 -2.551 22 1HB PHE 3 HB2 PHE 3 3.803 2.755 -0.957 23 2HB PHE 3 HB1 PHE 3 4.128 2.323 -2.635 24 HD1 PHE 3 HD1 PHE 3 3.413 5.144 -0.333 25 HD2 PHE 3 HD2 PHE 3 4.641 3.989 -4.284 26 HE1 PHE 3 HE1 PHE 3 4.080 7.482 -0.810 27 HE2 PHE 3 HE2 PHE 3 5.309 6.328 -4.761 28 HZ PHE 3 HZ PHE 3 5.029 8.077 -3.023 29 H CYS 4 HN CYS 4 -0.114 1.759 -1.345 30 HA CYS 4 HA CYS 4 -1.616 2.363 0.372 31 1HB CYS 4 HB2 CYS 4 0.830 1.286 1.387 32 2HB CYS 4 HB1 CYS 4 0.282 2.526 2.521 33 H ASN 5 HN ASN 5 -1.027 3.859 2.790 34 HA ASN 5 HA ASN 5 -1.077 6.563 1.585 35 1HB ASN 5 HB2 ASN 5 -2.756 5.512 3.366 36 2HB ASN 5 HB1 ASN 5 -1.532 6.085 4.504 37 1HD2 ASN 5 HD22 ASN 5 -2.039 9.493 2.804 38 2HD2 ASN 5 HD21 ASN 5 -0.783 8.351 2.630 39 H GLN 6 HN GLN 6 -0.309 7.566 4.393 40 HA GLN 6 HA GLN 6 2.564 7.739 3.823 41 1HB GLN 6 HB2 GLN 6 2.641 9.388 5.559 42 2HB GLN 6 HB1 GLN 6 1.141 9.671 4.677 43 1HG GLN 6 HG2 GLN 6 -0.130 8.456 6.372 44 2HG GLN 6 HG1 GLN 6 1.357 8.054 7.233 45 1HE2 GLN 6 HE21 GLN 6 2.704 10.569 7.052 46 2HE2 GLN 6 HE22 GLN 6 1.821 11.721 7.948 47 H THR 7 HN THR 7 4.202 7.123 5.429 48 HA THR 7 HA THR 7 5.150 5.450 6.793 49 HB THR 7 HB THR 7 2.566 5.568 8.352 50 HG1 THR 7 HG1 THR 7 4.680 7.400 8.667 51 1HG2 THR 7 HG22 THR 7 4.927 4.234 8.772 52 2HG2 THR 7 HG21 THR 7 5.185 5.720 9.685 53 3HG2 THR 7 HG23 THR 7 3.796 4.694 10.045 54 H ALA 8 HN ALA 8 3.249 4.738 4.547 55 HA ALA 8 HA ALA 8 2.431 2.764 3.621 56 1HB ALA 8 HB2 ALA 8 4.500 1.762 4.617 57 2HB ALA 8 HB1 ALA 8 3.596 1.442 6.097 58 3HB ALA 8 HB3 ALA 8 3.146 0.633 4.596 59 H CYS 9 HN CYS 9 0.558 1.293 3.904 60 HA CYS 9 HA CYS 9 -0.957 1.733 6.419 61 1HB CYS 9 HB2 CYS 9 -2.819 2.708 5.413 62 2HB CYS 9 HB1 CYS 9 -1.482 3.471 4.568 63 HA PRO 10 HA PRO 10 -2.336 -2.294 6.170 64 1HB PRO 10 HB2 PRO 10 -5.174 -1.796 6.410 65 2HB PRO 10 HB1 PRO 10 -4.050 -2.401 7.636 66 1HG PRO 10 HG2 PRO 10 -5.158 0.253 7.410 67 2HG PRO 10 HG1 PRO 10 -4.048 -0.362 8.645 68 1HD PRO 10 HD2 PRO 10 -3.457 1.512 6.607 69 2HD PRO 10 HD1 PRO 10 -2.303 0.740 7.711 70 H ALA 11 HN ALA 11 -3.257 -0.300 3.771 71 HA ALA 11 HA ALA 11 -3.732 -0.786 1.503 72 1HB ALA 11 HB3 ALA 11 -2.385 -2.906 2.104 73 2HB ALA 11 HB2 ALA 11 -3.954 -3.691 2.286 74 3HB ALA 11 HB1 ALA 11 -3.485 -3.011 0.731 75 H ASP 12 HN ASP 12 -5.509 -3.272 1.035 76 HA ASP 12 HA ASP 12 -7.799 -3.862 1.239 77 1HB ASP 12 HB2 ASP 12 -8.305 -1.275 2.713 78 2HB ASP 12 HB1 ASP 12 -9.254 -2.765 2.748 79 H CYS 13 HN CYS 13 -8.494 -3.635 -0.821 80 HA CYS 13 HA CYS 13 -8.406 -1.050 -2.183 81 1HB CYS 13 HB2 CYS 13 -9.927 -3.373 -3.308 82 2HB CYS 13 HB1 CYS 13 -8.874 -2.218 -4.129 83 H ASP 14 HN ASP 14 -9.859 0.043 -0.597 84 HA ASP 14 HA ASP 14 -12.715 -0.740 -0.804 85 1HB ASP 14 HB2 ASP 14 -11.085 0.579 1.191 86 2HB ASP 14 HB1 ASP 14 -12.467 1.594 0.764 87 HA PRO 15 HA PRO 15 -13.841 2.528 -3.430 88 1HB PRO 15 HB2 PRO 15 -15.740 3.920 -1.778 89 2HB PRO 15 HB1 PRO 15 -16.069 2.751 -3.064 90 1HG PRO 15 HG2 PRO 15 -16.335 2.364 -0.222 91 2HG PRO 15 HG1 PRO 15 -16.669 1.202 -1.513 92 1HD PRO 15 HD2 PRO 15 -14.468 1.185 0.336 93 2HD PRO 15 HD1 PRO 15 -14.792 0.041 -0.979 94 H ASN 16 HN ASN 16 -13.307 3.621 -0.094 95 HA ASN 16 HA ASN 16 -12.436 6.278 -1.103 96 1HB ASN 16 HB2 ASN 16 -12.336 6.876 1.321 97 2HB ASN 16 HB1 ASN 16 -13.935 6.314 0.828 98 1HD2 ASN 16 HD22 ASN 16 -13.900 3.572 3.041 99 2HD2 ASN 16 HD21 ASN 16 -14.791 4.543 1.957 100 H THR 17 HN THR 17 -10.953 3.574 -1.273 101 HA THR 17 HA THR 17 -8.325 4.687 -0.625 102 HB THR 17 HB THR 17 -7.811 2.495 0.721 103 HG1 THR 17 HG1 THR 17 -10.602 2.814 1.119 104 1HG2 THR 17 HG23 THR 17 -8.320 5.097 1.422 105 2HG2 THR 17 HG22 THR 17 -9.497 4.225 2.405 106 3HG2 THR 17 HG21 THR 17 -7.780 3.846 2.543 107 H GLN 18 HN GLN 18 -8.892 4.221 -3.100 108 HA GLN 18 HA GLN 18 -8.511 1.426 -3.898 109 1HB GLN 18 HB2 GLN 18 -9.900 3.101 -5.193 110 2HB GLN 18 HB1 GLN 18 -8.393 3.902 -5.641 111 1HG GLN 18 HG2 GLN 18 -7.969 1.166 -6.152 112 2HG GLN 18 HG1 GLN 18 -9.585 1.517 -6.766 113 1HE2 GLN 18 HE22 GLN 18 -7.153 2.380 -9.470 114 2HE2 GLN 18 HE21 GLN 18 -7.585 0.953 -8.641 115 H ALA 19 HN ALA 19 -6.498 4.129 -3.172 116 HA ALA 19 HA ALA 19 -4.237 3.327 -4.817 117 1HB ALA 19 HB1 ALA 19 -4.839 5.421 -2.848 118 2HB ALA 19 HB3 ALA 19 -3.181 4.827 -2.750 119 3HB ALA 19 HB2 ALA 19 -3.795 5.482 -4.268 120 H SER 20 HN SER 20 -5.643 1.994 -2.080 121 HA SER 20 HA SER 20 -3.126 1.072 -0.848 122 1HB SER 20 HB2 SER 20 -5.963 1.144 -0.128 123 2HB SER 20 HB1 SER 20 -5.226 -0.413 0.233 124 HG SER 20 HG SER 20 -5.071 1.654 1.707 125 H CYS 21 HN CYS 21 -3.361 -1.476 -0.279 126 HA CYS 21 HA CYS 21 -2.821 -3.540 -1.267 127 1HB CYS 21 HB2 CYS 21 -4.732 -4.677 -2.154 128 2HB CYS 21 HB1 CYS 21 -5.310 -3.592 -0.887 129 H GLU 22 HN GLU 22 -3.175 -4.737 -3.686 130 HA GLU 22 HA GLU 22 -1.990 -4.741 -5.751 131 1HB GLU 22 HB2 GLU 22 -2.938 -2.126 -6.631 132 2HB GLU 22 HB1 GLU 22 -3.331 -3.719 -7.273 133 1HG GLU 22 HG2 GLU 22 -4.798 -3.871 -5.064 134 2HG GLU 22 HG1 GLU 22 -4.749 -2.113 -5.184 135 H CYS 23 HN CYS 23 -0.794 -3.519 -3.427 136 HA CYS 23 HA CYS 23 0.425 -1.208 -3.298 137 1HB CYS 23 HB2 CYS 23 1.057 -3.569 -2.262 138 2HB CYS 23 HB1 CYS 23 2.367 -3.474 -3.438 139 HA PRO 24 HA PRO 24 1.541 0.840 -7.122 140 1HB PRO 24 HB2 PRO 24 4.138 -0.250 -6.057 141 2HB PRO 24 HB1 PRO 24 3.789 1.356 -6.731 142 1HG PRO 24 HG2 PRO 24 3.876 0.812 -4.035 143 2HG PRO 24 HG1 PRO 24 2.945 2.144 -4.745 144 1HD PRO 24 HD2 PRO 24 1.949 -0.205 -3.432 145 2HD PRO 24 HD1 PRO 24 1.015 1.132 -4.101 146 H GLU 25 HN GLU 25 3.698 -0.075 -8.664 147 HA GLU 25 HA GLU 25 2.508 -2.587 -9.728 148 1HB GLU 25 HB2 GLU 25 2.653 -0.643 -11.260 149 2HB GLU 25 HB1 GLU 25 4.406 -0.642 -11.059 150 1HG GLU 25 HG2 GLU 25 4.541 -2.907 -11.983 151 2HG GLU 25 HG1 GLU 25 2.785 -2.972 -12.129 152 H GLY 26 HN GLY 26 3.735 -3.562 -7.839 153 1HA GLY 26 HA2 GLY 26 5.484 -5.395 -8.123 154 2HA GLY 26 HA1 GLY 26 6.566 -4.092 -8.632 155 H TYR 27 HN TYR 27 4.635 -2.746 -6.300 156 HA TYR 27 HA TYR 27 6.697 -2.458 -4.407 157 1HB TYR 27 HB2 TYR 27 4.183 -1.444 -4.485 158 2HB TYR 27 HB1 TYR 27 3.983 -2.716 -3.279 159 HD1 TYR 27 HD1 TYR 27 5.252 -2.688 -1.144 160 HD2 TYR 27 HD2 TYR 27 5.683 0.432 -4.070 161 HE1 TYR 27 HE1 TYR 27 6.470 -1.293 0.503 162 HE2 TYR 27 HE2 TYR 27 6.886 1.823 -2.421 163 HH TYR 27 HH TYR 27 6.823 1.785 0.407 164 H ILE 28 HN ILE 28 4.199 -4.921 -4.727 165 HA ILE 28 HA ILE 28 4.037 -7.077 -3.863 166 HB ILE 28 HB ILE 28 6.929 -6.442 -3.428 167 1HG1 ILE 28 HG12 ILE 28 6.781 -8.935 -4.465 168 2HG1 ILE 28 HG11 ILE 28 5.214 -8.303 -4.983 169 1HG2 ILE 28 HG22 ILE 28 5.513 -8.790 -2.129 170 2HG2 ILE 28 HG21 ILE 28 7.263 -8.613 -2.261 171 3HG2 ILE 28 HG23 ILE 28 6.332 -7.476 -1.285 172 1HD1 ILE 28 HD13 ILE 28 7.716 -6.673 -5.372 173 2HD1 ILE 28 HD12 ILE 28 7.281 -7.930 -6.530 174 3HD1 ILE 28 HD11 ILE 28 6.186 -6.577 -6.244 175 H LEU 29 HN LEU 29 2.536 -7.055 -2.284 176 HA LEU 29 HA LEU 29 2.423 -5.405 -0.031 177 1HB LEU 29 HB2 LEU 29 1.158 -7.930 -0.863 178 2HB LEU 29 HB1 LEU 29 1.224 -7.699 0.887 179 HG LEU 29 HG LEU 29 0.291 -5.489 -0.939 180 1HD1 LEU 29 HD13 LEU 29 -1.027 -8.015 -0.305 181 2HD1 LEU 29 HD12 LEU 29 -1.965 -6.616 0.216 182 3HD1 LEU 29 HD11 LEU 29 -1.484 -6.776 -1.473 183 1HD2 LEU 29 HD22 LEU 29 0.381 -6.076 1.966 184 2HD2 LEU 29 HD21 LEU 29 0.412 -4.522 1.131 185 3HD2 LEU 29 HD23 LEU 29 -1.121 -5.353 1.389 186 H ASP 30 HN ASP 30 2.243 -6.778 2.260 187 HA ASP 30 HA ASP 30 3.928 -8.692 3.177 188 1HB ASP 30 HB2 ASP 30 5.549 -6.448 2.134 189 2HB ASP 30 HB1 ASP 30 6.005 -7.008 3.744 190 H ASP 31 HN ASP 31 5.053 -8.016 5.428 191 HA ASP 31 HA ASP 31 4.637 -7.238 7.601 192 1HB ASP 31 HB2 ASP 31 4.404 -4.953 5.806 193 2HB ASP 31 HB1 ASP 31 3.397 -4.762 7.242 194 H GLY 32 HN GLY 32 2.374 -8.436 5.777 195 1HA GLY 32 HA2 GLY 32 0.305 -9.317 6.667 196 2HA GLY 32 HA1 GLY 32 0.252 -7.968 7.800 197 H PHE 33 HN PHE 33 -0.006 -8.726 4.341 198 HA PHE 33 HA PHE 33 -1.115 -7.557 2.628 199 1HB PHE 33 HB2 PHE 33 -3.122 -7.098 4.851 200 2HB PHE 33 HB1 PHE 33 -3.447 -7.113 3.114 201 HD1 PHE 33 HD1 PHE 33 -3.078 -9.243 1.809 202 HD2 PHE 33 HD2 PHE 33 -3.038 -9.123 6.102 203 HE1 PHE 33 HE1 PHE 33 -3.406 -11.697 1.879 204 HE2 PHE 33 HE2 PHE 33 -3.367 -11.578 6.174 205 HZ PHE 33 HZ PHE 33 -3.553 -12.868 4.063 206 H ILE 34 HN ILE 34 0.678 -5.931 4.511 207 HA ILE 34 HA ILE 34 -0.695 -3.305 4.332 208 HB ILE 34 HB ILE 34 2.110 -3.747 5.347 209 1HG1 ILE 34 HG12 ILE 34 0.725 -5.223 6.677 210 2HG1 ILE 34 HG11 ILE 34 1.044 -3.774 7.638 211 1HG2 ILE 34 HG21 ILE 34 1.081 -1.447 4.721 212 2HG2 ILE 34 HG23 ILE 34 0.073 -1.653 6.153 213 3HG2 ILE 34 HG22 ILE 34 1.828 -1.586 6.311 214 1HD1 ILE 34 HD13 ILE 34 -1.406 -3.920 5.900 215 2HD1 ILE 34 HD12 ILE 34 -1.400 -4.677 7.488 216 3HD1 ILE 34 HD11 ILE 34 -1.115 -2.945 7.339 217 H CYS 35 HN CYS 35 -0.415 -2.123 2.578 218 HA CYS 35 HA CYS 35 1.809 -2.810 0.748 219 1HB CYS 35 HB2 CYS 35 -0.167 -2.293 -0.463 220 2HB CYS 35 HB1 CYS 35 -0.499 -0.866 0.523 221 H THR 36 HN THR 36 3.591 -1.437 0.425 222 HA THR 36 HA THR 36 4.955 0.482 0.727 223 HB THR 36 HB THR 36 3.002 1.294 2.865 224 HG1 THR 36 HG1 THR 36 2.150 2.612 1.351 225 1HG2 THR 36 HG21 THR 36 5.398 2.122 3.014 226 2HG2 THR 36 HG23 THR 36 5.110 2.945 1.482 227 3HG2 THR 36 HG22 THR 36 4.166 3.379 2.907 228 H ASP 37 HN ASP 37 6.812 0.228 1.785 229 HA ASP 37 HA ASP 37 6.755 -0.994 4.481 230 1HB ASP 37 HB2 ASP 37 7.818 -2.120 2.034 231 2HB ASP 37 HB1 ASP 37 9.086 -1.942 3.248 232 H ILE 38 HN ILE 38 7.725 1.563 2.609 233 HA ILE 38 HA ILE 38 9.606 3.026 2.659 234 HB ILE 38 HB ILE 38 9.511 4.302 4.756 235 1HG1 ILE 38 HG12 ILE 38 7.408 2.723 6.014 236 2HG1 ILE 38 HG11 ILE 38 8.917 1.817 5.903 237 1HG2 ILE 38 HG23 ILE 38 7.541 4.020 2.921 238 2HG2 ILE 38 HG22 ILE 38 6.665 3.544 4.375 239 3HG2 ILE 38 HG21 ILE 38 7.429 5.131 4.286 240 1HD1 ILE 38 HD12 ILE 38 10.007 4.036 6.769 241 2HD1 ILE 38 HD11 ILE 38 8.374 4.411 7.318 242 3HD1 ILE 38 HD13 ILE 38 9.196 2.971 7.918 243 H ASP 39 HN ASP 39 11.394 1.567 2.309 244 HA ASP 39 HA ASP 39 12.855 0.839 4.817 245 1HB ASP 39 HB2 ASP 39 12.193 -0.729 2.567 246 2HB ASP 39 HB1 ASP 39 13.924 -0.401 2.428 247 H GLU 40 HN GLU 40 15.392 0.558 3.925 248 HA GLU 40 HA GLU 40 16.379 3.204 3.736 249 1HB GLU 40 HB2 GLU 40 17.493 0.676 4.020 250 2HB GLU 40 HB1 GLU 40 18.123 1.226 2.467 251 1HG GLU 40 HG2 GLU 40 18.161 3.331 4.499 252 2HG GLU 40 HG1 GLU 40 19.131 1.931 4.957 No H/Q in entry = 252 Start of MODEL 5 1 1H GLN 1 HT2 GLN 1 -3.620 4.466 -6.825 2 2H GLN 1 HT1 GLN 1 -3.648 5.727 -7.964 3 3H GLN 1 HT3 GLN 1 -4.113 4.161 -8.422 4 HA GLN 1 HA GLN 1 -1.925 3.333 -8.255 5 1HB GLN 1 HB2 GLN 1 -2.342 5.915 -9.697 6 2HB GLN 1 HB1 GLN 1 -0.695 5.291 -9.601 7 1HG GLN 1 HG2 GLN 1 -2.808 3.328 -10.322 8 2HG GLN 1 HG1 GLN 1 -2.418 4.545 -11.538 9 1HE2 GLN 1 HE22 GLN 1 0.816 2.323 -10.309 10 2HE2 GLN 1 HE21 GLN 1 -0.229 2.983 -9.146 11 H MET 2 HN MET 2 -1.177 3.313 -6.068 12 HA MET 2 HA MET 2 0.974 5.184 -5.531 13 1HB MET 2 HB2 MET 2 -1.686 5.594 -4.292 14 2HB MET 2 HB1 MET 2 -0.318 5.637 -3.179 15 1HG MET 2 HG2 MET 2 0.788 7.214 -4.904 16 2HG MET 2 HG1 MET 2 -0.830 7.384 -5.585 17 1HE MET 2 HE2 MET 2 -2.855 7.674 -4.156 18 2HE MET 2 HE1 MET 2 -2.956 9.040 -3.048 19 3HE MET 2 HE3 MET 2 -2.450 9.291 -4.725 20 H PHE 3 HN PHE 3 1.929 4.675 -3.287 21 HA PHE 3 HA PHE 3 1.699 1.734 -2.861 22 1HB PHE 3 HB2 PHE 3 3.862 2.479 -1.371 23 2HB PHE 3 HB1 PHE 3 3.955 1.969 -3.054 24 HD1 PHE 3 HD1 PHE 3 3.390 5.030 -0.961 25 HD2 PHE 3 HD2 PHE 3 4.891 3.407 -4.644 26 HE1 PHE 3 HE1 PHE 3 4.259 7.266 -1.593 27 HE2 PHE 3 HE2 PHE 3 5.760 5.642 -5.276 28 HZ PHE 3 HZ PHE 3 5.443 7.572 -3.751 29 H CYS 4 HN CYS 4 0.074 1.455 -1.342 30 HA CYS 4 HA CYS 4 -1.090 1.645 0.665 31 1HB CYS 4 HB2 CYS 4 1.478 1.123 1.367 32 2HB CYS 4 HB1 CYS 4 1.263 2.684 2.156 33 H ASN 5 HN ASN 5 -1.323 3.861 -0.996 34 HA ASN 5 HA ASN 5 -2.077 6.068 -0.967 35 1HB ASN 5 HB2 ASN 5 -3.577 5.299 0.777 36 2HB ASN 5 HB1 ASN 5 -2.297 5.429 1.987 37 1HD2 ASN 5 HD22 ASN 5 -2.846 8.868 2.527 38 2HD2 ASN 5 HD21 ASN 5 -2.056 7.438 3.017 39 H GLN 6 HN GLN 6 -0.677 6.323 2.244 40 HA GLN 6 HA GLN 6 1.389 8.166 1.100 41 1HB GLN 6 HB2 GLN 6 -0.416 9.225 2.524 42 2HB GLN 6 HB1 GLN 6 0.200 8.280 3.881 43 1HG GLN 6 HG2 GLN 6 2.341 9.356 3.772 44 2HG GLN 6 HG1 GLN 6 1.947 10.121 2.232 45 1HE2 GLN 6 HE22 GLN 6 -0.340 12.493 3.813 46 2HE2 GLN 6 HE21 GLN 6 -0.253 11.496 2.432 47 H THR 7 HN THR 7 3.466 8.110 2.053 48 HA THR 7 HA THR 7 5.335 6.801 2.691 49 HB THR 7 HB THR 7 3.619 6.957 5.183 50 HG1 THR 7 HG1 THR 7 4.263 8.932 4.151 51 1HG2 THR 7 HG22 THR 7 6.377 5.940 4.671 52 2HG2 THR 7 HG21 THR 7 6.114 6.888 6.135 53 3HG2 THR 7 HG23 THR 7 5.188 5.412 5.862 54 H ALA 8 HN ALA 8 3.099 5.189 4.880 55 HA ALA 8 HA ALA 8 2.947 2.769 3.269 56 1HB ALA 8 HB2 ALA 8 4.972 3.022 5.461 57 2HB ALA 8 HB1 ALA 8 4.153 1.476 5.243 58 3HB ALA 8 HB3 ALA 8 5.090 2.171 3.921 59 H CYS 9 HN CYS 9 0.693 3.256 3.791 60 HA CYS 9 HA CYS 9 -0.285 3.267 6.512 61 1HB CYS 9 HB2 CYS 9 -2.502 2.869 5.454 62 2HB CYS 9 HB1 CYS 9 -1.633 4.197 4.697 63 HA PRO 10 HA PRO 10 -0.669 -1.161 6.699 64 1HB PRO 10 HB2 PRO 10 -3.262 -1.370 7.901 65 2HB PRO 10 HB1 PRO 10 -1.696 -1.270 8.722 66 1HG PRO 10 HG2 PRO 10 -3.718 0.821 8.362 67 2HG PRO 10 HG1 PRO 10 -2.312 0.804 9.439 68 1HD PRO 10 HD2 PRO 10 -2.570 2.368 7.168 69 2HD PRO 10 HD1 PRO 10 -1.037 1.971 7.970 70 H ALA 11 HN ALA 11 -2.311 0.177 4.423 71 HA ALA 11 HA ALA 11 -3.447 -0.617 2.526 72 1HB ALA 11 HB2 ALA 11 -2.167 -2.981 3.719 73 2HB ALA 11 HB1 ALA 11 -3.589 -3.358 2.746 74 3HB ALA 11 HB3 ALA 11 -2.241 -2.472 2.032 75 H ASP 12 HN ASP 12 -5.452 0.314 3.424 76 HA ASP 12 HA ASP 12 -7.224 -1.655 4.759 77 1HB ASP 12 HB2 ASP 12 -6.815 1.047 5.234 78 2HB ASP 12 HB1 ASP 12 -8.335 1.017 4.334 79 H CYS 13 HN CYS 13 -6.500 -0.652 1.740 80 HA CYS 13 HA CYS 13 -7.691 -0.506 -0.305 81 1HB CYS 13 HB2 CYS 13 -9.338 -2.848 0.215 82 2HB CYS 13 HB1 CYS 13 -8.011 -2.649 -0.928 83 H ASP 14 HN ASP 14 -8.947 1.410 0.583 84 HA ASP 14 HA ASP 14 -11.668 0.893 1.516 85 1HB ASP 14 HB2 ASP 14 -9.927 3.079 1.584 86 2HB ASP 14 HB1 ASP 14 -11.205 3.575 0.469 87 HA PRO 15 HA PRO 15 -13.644 0.418 -2.322 88 1HB PRO 15 HB2 PRO 15 -15.864 2.146 -1.728 89 2HB PRO 15 HB1 PRO 15 -15.824 0.378 -1.700 90 1HG PRO 15 HG2 PRO 15 -15.929 2.169 0.551 91 2HG PRO 15 HG1 PRO 15 -15.884 0.401 0.571 92 1HD PRO 15 HD2 PRO 15 -13.779 2.226 1.294 93 2HD PRO 15 HD1 PRO 15 -13.736 0.453 1.306 94 H ASN 16 HN ASN 16 -12.934 3.556 -1.001 95 HA ASN 16 HA ASN 16 -13.139 4.739 -3.743 96 1HB ASN 16 HB2 ASN 16 -13.542 5.881 -0.997 97 2HB ASN 16 HB1 ASN 16 -12.986 6.940 -2.294 98 1HD2 ASN 16 HD22 ASN 16 -16.869 6.144 -2.112 99 2HD2 ASN 16 HD21 ASN 16 -15.780 5.995 -0.808 100 H THR 17 HN THR 17 -10.886 3.158 -2.855 101 HA THR 17 HA THR 17 -8.732 4.821 -3.654 102 HB THR 17 HB THR 17 -9.113 5.922 -1.458 103 HG1 THR 17 HG1 THR 17 -6.781 4.394 -1.876 104 1HG2 THR 17 HG22 THR 17 -9.590 3.300 -0.603 105 2HG2 THR 17 HG21 THR 17 -8.069 3.752 0.167 106 3HG2 THR 17 HG23 THR 17 -9.510 4.738 0.415 107 H GLN 18 HN GLN 18 -8.652 2.708 -4.797 108 HA GLN 18 HA GLN 18 -7.995 0.291 -3.340 109 1HB GLN 18 HB2 GLN 18 -7.256 0.723 -6.221 110 2HB GLN 18 HB1 GLN 18 -7.861 -0.736 -5.435 111 1HG GLN 18 HG2 GLN 18 -10.006 0.707 -5.002 112 2HG GLN 18 HG1 GLN 18 -9.382 1.702 -6.318 113 1HE2 GLN 18 HE22 GLN 18 -11.546 -1.012 -7.772 114 2HE2 GLN 18 HE21 GLN 18 -11.810 0.228 -6.631 115 H ALA 19 HN ALA 19 -6.236 3.076 -3.872 116 HA ALA 19 HA ALA 19 -3.672 2.311 -4.653 117 1HB ALA 19 HB3 ALA 19 -4.830 4.501 -3.233 118 2HB ALA 19 HB2 ALA 19 -3.395 3.985 -2.346 119 3HB ALA 19 HB1 ALA 19 -3.266 4.440 -4.045 120 H SER 20 HN SER 20 -5.036 2.110 -1.352 121 HA SER 20 HA SER 20 -2.740 0.870 -0.173 122 1HB SER 20 HB2 SER 20 -5.604 1.240 0.547 123 2HB SER 20 HB1 SER 20 -4.769 -0.082 1.354 124 HG SER 20 HG SER 20 -3.511 2.414 1.150 125 H CYS 21 HN CYS 21 -2.580 -1.439 0.492 126 HA CYS 21 HA CYS 21 -2.402 -3.673 -0.239 127 1HB CYS 21 HB2 CYS 21 -5.187 -3.948 -1.074 128 2HB CYS 21 HB1 CYS 21 -4.328 -4.750 0.242 129 H GLU 22 HN GLU 22 -3.535 -5.129 -2.306 130 HA GLU 22 HA GLU 22 -3.084 -5.393 -4.629 131 1HB GLU 22 HB2 GLU 22 -4.132 -2.776 -5.404 132 2HB GLU 22 HB1 GLU 22 -4.777 -4.378 -5.758 133 1HG GLU 22 HG2 GLU 22 -5.546 -4.345 -3.259 134 2HG GLU 22 HG1 GLU 22 -5.333 -2.600 -3.396 135 H CYS 23 HN CYS 23 -1.151 -4.111 -2.938 136 HA CYS 23 HA CYS 23 0.232 -1.969 -3.296 137 1HB CYS 23 HB2 CYS 23 1.218 -4.768 -3.602 138 2HB CYS 23 HB1 CYS 23 2.353 -3.442 -3.868 139 HA PRO 24 HA PRO 24 0.718 -0.200 -7.231 140 1HB PRO 24 HB2 PRO 24 3.629 -0.270 -6.502 141 2HB PRO 24 HB1 PRO 24 2.655 1.094 -7.086 142 1HG PRO 24 HG2 PRO 24 3.380 0.802 -4.470 143 2HG PRO 24 HG1 PRO 24 1.893 1.626 -4.966 144 1HD PRO 24 HD2 PRO 24 2.197 -0.977 -3.643 145 2HD PRO 24 HD1 PRO 24 0.744 0.025 -3.816 146 H GLU 25 HN GLU 25 1.638 -0.817 -9.321 147 HA GLU 25 HA GLU 25 1.983 -3.650 -9.662 148 1HB GLU 25 HB2 GLU 25 1.925 -1.274 -11.364 149 2HB GLU 25 HB1 GLU 25 3.134 -2.440 -11.903 150 1HG GLU 25 HG2 GLU 25 1.483 -4.203 -12.017 151 2HG GLU 25 HG1 GLU 25 0.264 -3.172 -11.267 152 H GLY 26 HN GLY 26 3.680 -4.187 -8.186 153 1HA GLY 26 HA2 GLY 26 6.096 -4.875 -8.663 154 2HA GLY 26 HA1 GLY 26 6.372 -3.153 -8.950 155 H TYR 27 HN TYR 27 4.429 -2.461 -6.702 156 HA TYR 27 HA TYR 27 6.338 -2.174 -4.645 157 1HB TYR 27 HB2 TYR 27 3.598 -1.476 -4.935 158 2HB TYR 27 HB1 TYR 27 3.768 -2.340 -3.400 159 HD1 TYR 27 HD2 TYR 27 5.759 0.129 -5.413 160 HD2 TYR 27 HD1 TYR 27 4.282 -1.020 -1.545 161 HE1 TYR 27 HE2 TYR 27 6.844 2.119 -4.411 162 HE2 TYR 27 HE1 TYR 27 5.370 0.973 -0.549 163 HH TYR 27 HH TYR 27 6.971 2.582 -0.935 164 H ILE 28 HN ILE 28 3.753 -4.586 -5.035 165 HA ILE 28 HA ILE 28 3.537 -6.752 -4.188 166 HB ILE 28 HB ILE 28 6.498 -6.274 -4.020 167 1HG1 ILE 28 HG12 ILE 28 6.094 -8.574 -5.392 168 2HG1 ILE 28 HG11 ILE 28 4.536 -7.783 -5.663 169 1HG2 ILE 28 HG22 ILE 28 4.958 -8.269 -2.478 170 2HG2 ILE 28 HG21 ILE 28 6.260 -8.950 -3.453 171 3HG2 ILE 28 HG23 ILE 28 6.615 -7.708 -2.252 172 1HD1 ILE 28 HD12 ILE 28 7.102 -6.254 -6.042 173 2HD1 ILE 28 HD11 ILE 28 6.492 -7.298 -7.325 174 3HD1 ILE 28 HD13 ILE 28 5.516 -5.947 -6.750 175 H LEU 29 HN LEU 29 2.366 -6.970 -2.370 176 HA LEU 29 HA LEU 29 2.632 -5.439 -0.015 177 1HB LEU 29 HB2 LEU 29 1.176 -7.863 -0.837 178 2HB LEU 29 HB1 LEU 29 1.541 -7.805 0.890 179 HG LEU 29 HG LEU 29 0.296 -5.513 -0.634 180 1HD1 LEU 29 HD13 LEU 29 -0.877 -7.982 0.292 181 2HD1 LEU 29 HD12 LEU 29 -1.540 -6.621 1.198 182 3HD1 LEU 29 HD11 LEU 29 -1.648 -6.645 -0.562 183 1HD2 LEU 29 HD22 LEU 29 0.907 -6.104 2.253 184 2HD2 LEU 29 HD21 LEU 29 1.268 -4.655 1.315 185 3HD2 LEU 29 HD23 LEU 29 -0.388 -4.984 1.823 186 H ASP 30 HN ASP 30 2.781 -7.203 2.126 187 HA ASP 30 HA ASP 30 5.147 -8.877 1.981 188 1HB ASP 30 HB2 ASP 30 6.673 -7.533 3.267 189 2HB ASP 30 HB1 ASP 30 6.110 -6.531 1.929 190 H ASP 31 HN ASP 31 5.844 -9.437 4.365 191 HA ASP 31 HA ASP 31 3.776 -10.663 5.732 192 1HB ASP 31 HB2 ASP 31 6.470 -9.704 6.475 193 2HB ASP 31 HB1 ASP 31 5.366 -9.920 7.833 194 H GLY 32 HN GLY 32 1.869 -9.662 6.242 195 1HA GLY 32 HA2 GLY 32 0.932 -8.295 8.171 196 2HA GLY 32 HA1 GLY 32 2.046 -7.031 7.652 197 H PHE 33 HN PHE 33 1.020 -8.540 4.900 198 HA PHE 33 HA PHE 33 -0.375 -7.774 3.176 199 1HB PHE 33 HB2 PHE 33 -2.014 -8.080 5.597 200 2HB PHE 33 HB1 PHE 33 -2.698 -6.951 4.422 201 HD1 PHE 33 HD1 PHE 33 -0.575 -9.964 3.816 202 HD2 PHE 33 HD2 PHE 33 -4.452 -8.163 3.405 203 HE1 PHE 33 HE1 PHE 33 -1.309 -11.867 2.406 204 HE2 PHE 33 HE2 PHE 33 -5.187 -10.066 1.995 205 HZ PHE 33 HZ PHE 33 -3.615 -11.918 1.496 206 H ILE 34 HN ILE 34 1.299 -5.809 4.861 207 HA ILE 34 HA ILE 34 -0.274 -3.327 4.399 208 HB ILE 34 HB ILE 34 2.488 -3.540 5.613 209 1HG1 ILE 34 HG12 ILE 34 1.024 -4.883 7.007 210 2HG1 ILE 34 HG11 ILE 34 1.257 -3.327 7.813 211 1HG2 ILE 34 HG21 ILE 34 0.501 -1.419 5.062 212 2HG2 ILE 34 HG23 ILE 34 1.191 -1.365 6.684 213 3HG2 ILE 34 HG22 ILE 34 2.246 -1.290 5.273 214 1HD1 ILE 34 HD12 ILE 34 -0.920 -2.998 6.056 215 2HD1 ILE 34 HD11 ILE 34 -1.193 -4.524 6.886 216 3HD1 ILE 34 HD13 ILE 34 -0.970 -3.040 7.813 217 H CYS 35 HN CYS 35 0.296 -1.890 2.827 218 HA CYS 35 HA CYS 35 2.277 -2.869 0.872 219 1HB CYS 35 HB2 CYS 35 -0.062 -1.757 0.378 220 2HB CYS 35 HB1 CYS 35 0.843 -0.255 0.558 221 H THR 36 HN THR 36 4.323 -2.024 0.686 222 HA THR 36 HA THR 36 5.156 0.606 1.218 223 HB THR 36 HB THR 36 4.518 0.420 3.505 224 HG1 THR 36 HG1 THR 36 6.617 1.215 3.267 225 1HG2 THR 36 HG21 THR 36 4.188 -2.027 3.480 226 2HG2 THR 36 HG23 THR 36 5.936 -2.256 3.507 227 3HG2 THR 36 HG22 THR 36 5.122 -1.518 4.887 228 H ASP 37 HN ASP 37 7.643 0.603 1.814 229 HA ASP 37 HA ASP 37 8.941 -1.889 0.835 230 1HB ASP 37 HB2 ASP 37 8.540 0.120 -0.912 231 2HB ASP 37 HB1 ASP 37 10.043 0.683 -0.180 232 H ILE 38 HN ILE 38 9.187 1.207 2.514 233 HA ILE 38 HA ILE 38 11.655 0.172 3.840 234 HB ILE 38 HB ILE 38 12.622 2.306 3.790 235 1HG1 ILE 38 HG12 ILE 38 9.801 3.337 3.353 236 2HG1 ILE 38 HG11 ILE 38 10.847 3.625 4.748 237 1HG2 ILE 38 HG22 ILE 38 12.051 1.208 1.471 238 2HG2 ILE 38 HG21 ILE 38 10.955 2.579 1.304 239 3HG2 ILE 38 HG23 ILE 38 12.684 2.854 1.517 240 1HD1 ILE 38 HD12 ILE 38 11.503 4.533 1.930 241 2HD1 ILE 38 HD11 ILE 38 10.741 5.562 3.143 242 3HD1 ILE 38 HD13 ILE 38 12.372 4.947 3.408 243 H ASP 39 HN ASP 39 11.507 0.015 6.041 244 HA ASP 39 HA ASP 39 9.423 1.626 7.434 245 1HB ASP 39 HB2 ASP 39 8.983 -0.481 8.840 246 2HB ASP 39 HB1 ASP 39 8.322 -0.472 7.201 247 H GLU 40 HN GLU 40 10.430 2.732 9.033 248 HA GLU 40 HA GLU 40 13.111 1.983 9.910 249 1HB GLU 40 HB2 GLU 40 11.470 4.322 9.981 250 2HB GLU 40 HB1 GLU 40 11.951 3.947 11.636 251 1HG GLU 40 HG2 GLU 40 13.787 4.298 9.249 252 2HG GLU 40 HG1 GLU 40 13.658 5.363 10.649 No H/Q in entry = 252 Start of MODEL 6 1 1H GLN 1 HT1 GLN 1 1.929 4.944 -6.559 2 2H GLN 1 HT3 GLN 1 1.050 4.590 -7.965 3 3H GLN 1 HT2 GLN 1 2.228 5.814 -7.987 4 HA GLN 1 HA GLN 1 0.948 7.229 -6.623 5 1HB GLN 1 HB2 GLN 1 0.225 6.584 -9.141 6 2HB GLN 1 HB1 GLN 1 -1.251 6.122 -8.293 7 1HG GLN 1 HG2 GLN 1 -1.104 8.420 -7.143 8 2HG GLN 1 HG1 GLN 1 0.077 8.832 -8.387 9 1HE2 GLN 1 HE22 GLN 1 -3.252 9.833 -9.710 10 2HE2 GLN 1 HE21 GLN 1 -2.261 10.309 -8.416 11 H MET 2 HN MET 2 0.369 3.951 -6.145 12 HA MET 2 HA MET 2 -1.660 4.604 -4.057 13 1HB MET 2 HB2 MET 2 -1.785 2.046 -5.656 14 2HB MET 2 HB1 MET 2 -3.035 2.769 -4.642 15 1HG MET 2 HG2 MET 2 -2.679 4.785 -6.400 16 2HG MET 2 HG1 MET 2 -2.250 3.422 -7.434 17 1HE MET 2 HE3 MET 2 -3.725 1.308 -7.758 18 2HE MET 2 HE2 MET 2 -3.895 1.133 -6.014 19 3HE MET 2 HE1 MET 2 -5.325 1.073 -7.041 20 H PHE 3 HN PHE 3 0.784 4.504 -3.149 21 HA PHE 3 HA PHE 3 1.371 1.686 -2.373 22 1HB PHE 3 HB2 PHE 3 3.472 3.216 -1.416 23 2HB PHE 3 HB1 PHE 3 3.472 2.304 -2.922 24 HD1 PHE 3 HD1 PHE 3 2.346 5.615 -1.561 25 HD2 PHE 3 HD2 PHE 3 3.909 3.434 -4.913 26 HE1 PHE 3 HE1 PHE 3 2.559 7.731 -2.838 27 HE2 PHE 3 HE2 PHE 3 4.119 5.548 -6.192 28 HZ PHE 3 HZ PHE 3 3.444 7.697 -5.154 29 H CYS 4 HN CYS 4 -0.742 2.438 -0.999 30 HA CYS 4 HA CYS 4 -1.625 3.188 1.056 31 1HB CYS 4 HB2 CYS 4 0.269 1.040 1.332 32 2HB CYS 4 HB1 CYS 4 0.280 2.028 2.796 33 H ASN 5 HN ASN 5 -1.482 5.342 1.398 34 HA ASN 5 HA ASN 5 -0.546 7.429 2.005 35 1HB ASN 5 HB2 ASN 5 -0.482 5.483 4.172 36 2HB ASN 5 HB1 ASN 5 0.711 6.768 4.392 37 1HD2 ASN 5 HD22 ASN 5 -3.287 7.720 4.426 38 2HD2 ASN 5 HD21 ASN 5 -2.783 6.230 3.765 39 H GLN 6 HN GLN 6 1.161 6.790 0.128 40 HA GLN 6 HA GLN 6 3.438 6.700 -0.549 41 1HB GLN 6 HB2 GLN 6 3.184 9.047 -0.221 42 2HB GLN 6 HB1 GLN 6 3.248 8.880 1.533 43 1HG GLN 6 HG2 GLN 6 5.514 8.861 1.563 44 2HG GLN 6 HG1 GLN 6 5.609 7.785 0.168 45 1HE2 GLN 6 HE22 GLN 6 6.673 10.491 -1.817 46 2HE2 GLN 6 HE21 GLN 6 6.903 8.870 -1.336 47 H THR 7 HN THR 7 4.424 7.738 2.635 48 HA THR 7 HA THR 7 6.554 6.067 3.024 49 HB THR 7 HB THR 7 4.645 6.516 5.313 50 HG1 THR 7 HG1 THR 7 6.410 8.435 4.208 51 1HG2 THR 7 HG23 THR 7 7.649 6.467 4.960 52 2HG2 THR 7 HG22 THR 7 6.865 7.025 6.438 53 3HG2 THR 7 HG21 THR 7 6.658 5.356 5.905 54 H ALA 8 HN ALA 8 3.217 5.236 4.039 55 HA ALA 8 HA ALA 8 3.301 2.564 3.150 56 1HB ALA 8 HB2 ALA 8 4.213 2.888 6.023 57 2HB ALA 8 HB1 ALA 8 3.708 1.358 5.307 58 3HB ALA 8 HB3 ALA 8 5.138 2.187 4.698 59 H CYS 9 HN CYS 9 1.763 1.156 4.727 60 HA CYS 9 HA CYS 9 -0.149 2.171 6.426 61 1HB CYS 9 HB2 CYS 9 -1.276 3.757 5.279 62 2HB CYS 9 HB1 CYS 9 -0.413 3.379 3.795 63 HA PRO 10 HA PRO 10 -1.607 -1.873 6.380 64 1HB PRO 10 HB2 PRO 10 -4.413 -1.104 6.057 65 2HB PRO 10 HB1 PRO 10 -3.607 -1.845 7.448 66 1HG PRO 10 HG2 PRO 10 -4.426 0.867 7.210 67 2HG PRO 10 HG1 PRO 10 -3.426 0.171 8.496 68 1HD PRO 10 HD2 PRO 10 -2.621 1.991 6.420 69 2HD PRO 10 HD1 PRO 10 -1.626 1.296 7.715 70 H ALA 11 HN ALA 11 -4.219 -2.570 4.996 71 HA ALA 11 HA ALA 11 -3.627 -2.057 2.164 72 1HB ALA 11 HB2 ALA 11 -3.430 -4.853 3.323 73 2HB ALA 11 HB1 ALA 11 -3.402 -4.461 1.603 74 3HB ALA 11 HB3 ALA 11 -2.097 -3.910 2.654 75 H ASP 12 HN ASP 12 -5.864 -1.302 3.540 76 HA ASP 12 HA ASP 12 -7.953 -3.348 3.096 77 1HB ASP 12 HB2 ASP 12 -8.135 -2.012 5.131 78 2HB ASP 12 HB1 ASP 12 -8.074 -0.517 4.190 79 H CYS 13 HN CYS 13 -8.057 -3.498 0.820 80 HA CYS 13 HA CYS 13 -8.042 -1.252 -0.950 81 1HB CYS 13 HB2 CYS 13 -9.059 -4.084 -1.212 82 2HB CYS 13 HB1 CYS 13 -9.247 -2.914 -2.522 83 H ASP 14 HN ASP 14 -9.479 0.302 -0.023 84 HA ASP 14 HA ASP 14 -12.318 -0.409 0.297 85 1HB ASP 14 HB2 ASP 14 -10.687 1.436 1.520 86 2HB ASP 14 HB1 ASP 14 -11.576 2.441 0.370 87 HA PRO 15 HA PRO 15 -13.499 0.836 -3.696 88 1HB PRO 15 HB2 PRO 15 -15.999 2.021 -2.918 89 2HB PRO 15 HB1 PRO 15 -15.725 0.413 -3.604 90 1HG PRO 15 HG2 PRO 15 -16.433 1.075 -0.890 91 2HG PRO 15 HG1 PRO 15 -16.170 -0.530 -1.585 92 1HD PRO 15 HD2 PRO 15 -14.462 0.898 0.235 93 2HD PRO 15 HD1 PRO 15 -14.190 -0.700 -0.485 94 H ASN 16 HN ASN 16 -14.169 3.245 -1.148 95 HA ASN 16 HA ASN 16 -14.058 5.477 -3.025 96 1HB ASN 16 HB2 ASN 16 -13.920 5.474 0.006 97 2HB ASN 16 HB1 ASN 16 -14.222 6.879 -1.017 98 1HD2 ASN 16 HD22 ASN 16 -17.285 4.418 -0.082 99 2HD2 ASN 16 HD21 ASN 16 -15.730 4.227 0.592 100 H THR 17 HN THR 17 -11.715 3.520 -1.595 101 HA THR 17 HA THR 17 -9.602 5.401 -2.415 102 HB THR 17 HB THR 17 -10.083 5.977 -0.025 103 HG1 THR 17 HG1 THR 17 -7.880 5.680 0.635 104 1HG2 THR 17 HG21 THR 17 -9.830 3.049 0.198 105 2HG2 THR 17 HG23 THR 17 -8.953 3.952 1.433 106 3HG2 THR 17 HG22 THR 17 -10.690 4.188 1.234 107 H GLN 18 HN GLN 18 -10.084 3.158 -3.760 108 HA GLN 18 HA GLN 18 -9.185 0.666 -2.988 109 1HB GLN 18 HB2 GLN 18 -9.644 1.933 -5.430 110 2HB GLN 18 HB1 GLN 18 -7.961 1.413 -5.531 111 1HG GLN 18 HG2 GLN 18 -8.509 -0.799 -5.541 112 2HG GLN 18 HG1 GLN 18 -9.818 -0.580 -4.379 113 1HE2 GLN 18 HE22 GLN 18 -10.918 0.619 -8.137 114 2HE2 GLN 18 HE21 GLN 18 -9.528 1.281 -7.402 115 H ALA 19 HN ALA 19 -7.252 3.559 -3.387 116 HA ALA 19 HA ALA 19 -4.666 2.569 -3.674 117 1HB ALA 19 HB3 ALA 19 -5.530 5.013 -3.262 118 2HB ALA 19 HB2 ALA 19 -5.212 4.645 -1.567 119 3HB ALA 19 HB1 ALA 19 -3.901 4.578 -2.745 120 H SER 20 HN SER 20 -3.853 0.809 -2.635 121 HA SER 20 HA SER 20 -3.095 0.695 0.021 122 1HB SER 20 HB2 SER 20 -4.940 -0.859 0.944 123 2HB SER 20 HB1 SER 20 -5.293 0.863 0.872 124 HG SER 20 HG SER 20 -6.666 0.526 -0.722 125 H CYS 21 HN CYS 21 -4.799 -2.142 -0.368 126 HA CYS 21 HA CYS 21 -2.497 -3.729 -0.793 127 1HB CYS 21 HB2 CYS 21 -4.519 -5.292 -1.920 128 2HB CYS 21 HB1 CYS 21 -3.973 -5.333 -0.247 129 H GLU 22 HN GLU 22 -3.048 -5.437 -3.019 130 HA GLU 22 HA GLU 22 -2.473 -5.488 -5.311 131 1HB GLU 22 HB2 GLU 22 -3.595 -2.811 -5.886 132 2HB GLU 22 HB1 GLU 22 -3.960 -4.362 -6.640 133 1HG GLU 22 HG2 GLU 22 -5.143 -4.894 -4.365 134 2HG GLU 22 HG1 GLU 22 -5.146 -3.142 -4.162 135 H CYS 23 HN CYS 23 -0.938 -4.092 -3.195 136 HA CYS 23 HA CYS 23 0.452 -2.018 -3.155 137 1HB CYS 23 HB2 CYS 23 1.501 -4.714 -3.738 138 2HB CYS 23 HB1 CYS 23 2.649 -3.394 -3.942 139 HA PRO 24 HA PRO 24 0.494 0.714 -6.699 140 1HB PRO 24 HB2 PRO 24 3.416 0.220 -6.332 141 2HB PRO 24 HB1 PRO 24 2.542 1.757 -6.475 142 1HG PRO 24 HG2 PRO 24 3.464 0.747 -4.097 143 2HG PRO 24 HG1 PRO 24 2.076 1.843 -4.225 144 1HD PRO 24 HD2 PRO 24 2.116 -0.998 -3.529 145 2HD PRO 24 HD1 PRO 24 0.792 0.170 -3.363 146 H GLU 25 HN GLU 25 3.187 0.136 -8.146 147 HA GLU 25 HA GLU 25 2.005 -1.873 -9.966 148 1HB GLU 25 HB2 GLU 25 3.721 -1.145 -11.563 149 2HB GLU 25 HB1 GLU 25 2.843 0.251 -10.938 150 1HG GLU 25 HG2 GLU 25 4.841 0.060 -9.099 151 2HG GLU 25 HG1 GLU 25 5.670 -0.532 -10.539 152 H GLY 26 HN GLY 26 2.537 -3.326 -8.014 153 1HA GLY 26 HA2 GLY 26 3.751 -5.358 -7.654 154 2HA GLY 26 HA1 GLY 26 5.065 -4.717 -8.650 155 H TYR 27 HN TYR 27 3.779 -2.532 -6.313 156 HA TYR 27 HA TYR 27 6.142 -1.911 -5.031 157 1HB TYR 27 HB2 TYR 27 3.647 -1.100 -4.579 158 2HB TYR 27 HB1 TYR 27 3.792 -2.214 -3.216 159 HD1 TYR 27 HD1 TYR 27 5.618 0.577 -4.912 160 HD2 TYR 27 HD2 TYR 27 4.877 -1.527 -1.239 161 HE1 TYR 27 HE1 TYR 27 6.971 2.249 -3.685 162 HE2 TYR 27 HE2 TYR 27 6.232 0.151 -0.016 163 HH TYR 27 HH TYR 27 8.043 2.651 -1.712 164 H ILE 28 HN ILE 28 4.139 -4.744 -4.532 165 HA ILE 28 HA ILE 28 4.724 -6.808 -3.586 166 HB ILE 28 HB ILE 28 7.224 -5.535 -3.951 167 1HG1 ILE 28 HG12 ILE 28 7.949 -8.036 -3.482 168 2HG1 ILE 28 HG11 ILE 28 6.202 -8.305 -3.463 169 1HG2 ILE 28 HG23 ILE 28 6.917 -6.692 -1.170 170 2HG2 ILE 28 HG22 ILE 28 8.477 -6.532 -1.978 171 3HG2 ILE 28 HG21 ILE 28 7.522 -5.095 -1.611 172 1HD1 ILE 28 HD12 ILE 28 7.590 -6.812 -5.698 173 2HD1 ILE 28 HD11 ILE 28 7.343 -8.557 -5.736 174 3HD1 ILE 28 HD13 ILE 28 5.954 -7.471 -5.688 175 H LEU 29 HN LEU 29 3.294 -7.044 -1.929 176 HA LEU 29 HA LEU 29 2.844 -5.318 0.219 177 1HB LEU 29 HB2 LEU 29 2.205 -8.095 -0.433 178 2HB LEU 29 HB1 LEU 29 2.385 -7.834 1.308 179 HG LEU 29 HG LEU 29 0.694 -6.105 -0.511 180 1HD1 LEU 29 HD13 LEU 29 0.096 -8.557 1.097 181 2HD1 LEU 29 HD12 LEU 29 -1.117 -7.278 1.044 182 3HD1 LEU 29 HD11 LEU 29 -0.576 -8.043 -0.451 183 1HD2 LEU 29 HD21 LEU 29 1.258 -6.204 2.448 184 2HD2 LEU 29 HD23 LEU 29 1.281 -4.813 1.364 185 3HD2 LEU 29 HD22 LEU 29 -0.256 -5.527 1.848 186 H ASP 30 HN ASP 30 3.194 -6.340 2.623 187 HA ASP 30 HA ASP 30 5.426 -7.710 3.459 188 1HB ASP 30 HB2 ASP 30 6.217 -5.259 2.100 189 2HB ASP 30 HB1 ASP 30 6.799 -5.290 3.765 190 H ASP 31 HN ASP 31 6.082 -7.157 5.706 191 HA ASP 31 HA ASP 31 5.691 -6.243 7.845 192 1HB ASP 31 HB2 ASP 31 5.123 -4.126 6.191 193 2HB ASP 31 HB1 ASP 31 3.581 -4.362 7.014 194 H GLY 32 HN GLY 32 3.532 -7.789 5.859 195 1HA GLY 32 HA2 GLY 32 2.018 -9.424 6.938 196 2HA GLY 32 HA1 GLY 32 1.636 -8.187 8.134 197 H PHE 33 HN PHE 33 1.424 -8.810 4.633 198 HA PHE 33 HA PHE 33 -0.222 -8.188 3.088 199 1HB PHE 33 HB2 PHE 33 -1.546 -9.248 5.210 200 2HB PHE 33 HB1 PHE 33 -2.241 -7.624 5.181 201 HD1 PHE 33 HD1 PHE 33 -1.080 -9.988 2.505 202 HD2 PHE 33 HD2 PHE 33 -4.302 -7.631 4.091 203 HE1 PHE 33 HE1 PHE 33 -2.500 -10.630 0.576 204 HE2 PHE 33 HE2 PHE 33 -5.722 -8.273 2.162 205 HZ PHE 33 HZ PHE 33 -4.821 -9.773 0.405 206 H ILE 34 HN ILE 34 1.310 -6.107 4.919 207 HA ILE 34 HA ILE 34 -0.469 -3.788 4.358 208 HB ILE 34 HB ILE 34 2.080 -3.944 5.989 209 1HG1 ILE 34 HG12 ILE 34 0.553 -4.942 7.420 210 2HG1 ILE 34 HG11 ILE 34 0.266 -3.246 7.807 211 1HG2 ILE 34 HG23 ILE 34 1.341 -1.754 4.726 212 2HG2 ILE 34 HG22 ILE 34 0.164 -1.635 6.031 213 3HG2 ILE 34 HG21 ILE 34 1.886 -1.662 6.400 214 1HD1 ILE 34 HD13 ILE 34 -1.476 -3.529 5.759 215 2HD1 ILE 34 HD12 ILE 34 -1.470 -5.181 6.362 216 3HD1 ILE 34 HD11 ILE 34 -1.912 -3.852 7.433 217 H CYS 35 HN CYS 35 0.042 -2.431 2.712 218 HA CYS 35 HA CYS 35 2.277 -3.177 0.995 219 1HB CYS 35 HB2 CYS 35 -0.030 -2.252 0.281 220 2HB CYS 35 HB1 CYS 35 0.645 -0.667 0.685 221 H THR 36 HN THR 36 4.288 -2.285 1.006 222 HA THR 36 HA THR 36 5.073 0.335 1.431 223 HB THR 36 HB THR 36 4.160 0.535 3.583 224 HG1 THR 36 HG1 THR 36 6.296 1.084 3.764 225 1HG2 THR 36 HG23 THR 36 4.725 -2.371 3.657 226 2HG2 THR 36 HG22 THR 36 4.821 -1.528 5.204 227 3HG2 THR 36 HG21 THR 36 3.330 -1.478 4.262 228 H ASP 37 HN ASP 37 7.429 0.407 2.465 229 HA ASP 37 HA ASP 37 8.892 -2.127 2.319 230 1HB ASP 37 HB2 ASP 37 8.680 -0.355 0.003 231 2HB ASP 37 HB1 ASP 37 10.354 -0.610 0.498 232 H ILE 38 HN ILE 38 9.477 1.390 1.931 233 HA ILE 38 HA ILE 38 11.925 1.658 3.127 234 HB ILE 38 HB ILE 38 9.994 3.353 2.306 235 1HG1 ILE 38 HG12 ILE 38 12.618 3.509 2.878 236 2HG1 ILE 38 HG11 ILE 38 11.639 4.907 2.445 237 1HG2 ILE 38 HG21 ILE 38 10.068 3.664 5.320 238 2HG2 ILE 38 HG23 ILE 38 9.330 4.805 4.195 239 3HG2 ILE 38 HG22 ILE 38 8.673 3.177 4.359 240 1HD1 ILE 38 HD13 ILE 38 11.819 4.086 5.329 241 2HD1 ILE 38 HD12 ILE 38 13.159 4.975 4.605 242 3HD1 ILE 38 HD11 ILE 38 11.547 5.688 4.644 243 H ASP 39 HN ASP 39 12.735 1.746 5.255 244 HA ASP 39 HA ASP 39 11.752 0.021 7.200 245 1HB ASP 39 HB2 ASP 39 13.270 2.614 7.631 246 2HB ASP 39 HB1 ASP 39 13.077 1.347 8.848 247 H GLU 40 HN GLU 40 10.124 0.100 8.707 248 HA GLU 40 HA GLU 40 8.141 2.202 8.519 249 1HB GLU 40 HB2 GLU 40 8.381 0.108 10.695 250 2HB GLU 40 HB1 GLU 40 6.923 0.955 10.178 251 1HG GLU 40 HG2 GLU 40 8.479 -0.659 8.179 252 2HG GLU 40 HG1 GLU 40 7.387 -1.478 9.296 No H/Q in entry = 252 Start of MODEL 7 1 1H GLN 1 HT3 GLN 1 1.437 1.268 -10.477 2 2H GLN 1 HT2 GLN 1 2.921 1.972 -10.040 3 3H GLN 1 HT1 GLN 1 2.697 0.294 -9.894 4 HA GLN 1 HA GLN 1 2.239 0.718 -7.762 5 1HB GLN 1 HB2 GLN 1 2.071 3.491 -8.834 6 2HB GLN 1 HB1 GLN 1 1.235 3.178 -7.313 7 1HG GLN 1 HG2 GLN 1 4.156 2.611 -7.899 8 2HG GLN 1 HG1 GLN 1 3.530 3.884 -6.849 9 1HE2 GLN 1 HE22 GLN 1 2.130 0.997 -4.743 10 2HE2 GLN 1 HE21 GLN 1 1.348 2.048 -5.823 11 H MET 2 HN MET 2 0.313 0.500 -6.503 12 HA MET 2 HA MET 2 -2.272 1.095 -7.802 13 1HB MET 2 HB2 MET 2 -1.218 -1.678 -7.295 14 2HB MET 2 HB1 MET 2 -2.952 -1.364 -7.219 15 1HG MET 2 HG2 MET 2 -2.465 -0.127 -9.528 16 2HG MET 2 HG1 MET 2 -1.104 -1.248 -9.566 17 1HE MET 2 HE3 MET 2 -2.647 -1.134 -11.628 18 2HE MET 2 HE2 MET 2 -3.191 -2.757 -12.043 19 3HE MET 2 HE1 MET 2 -4.369 -1.533 -11.576 20 H PHE 3 HN PHE 3 -0.727 1.841 -5.321 21 HA PHE 3 HA PHE 3 -1.023 1.924 -2.978 22 1HB PHE 3 HB2 PHE 3 -3.392 2.703 -2.486 23 2HB PHE 3 HB1 PHE 3 -2.525 3.631 -3.707 24 HD1 PHE 3 HD2 PHE 3 -3.020 3.313 -6.121 25 HD2 PHE 3 HD1 PHE 3 -5.318 1.370 -3.056 26 HE1 PHE 3 HE2 PHE 3 -4.806 2.823 -7.770 27 HE2 PHE 3 HE1 PHE 3 -7.105 0.882 -4.705 28 HZ PHE 3 HZ PHE 3 -6.849 1.608 -7.062 29 H CYS 4 HN CYS 4 -0.599 -0.440 -2.600 30 HA CYS 4 HA CYS 4 -1.211 -2.571 -1.845 31 1HB CYS 4 HB2 CYS 4 -2.917 -0.599 -0.443 32 2HB CYS 4 HB1 CYS 4 -3.531 -2.259 -0.407 33 H ASN 5 HN ASN 5 -3.461 -4.041 -1.657 34 HA ASN 5 HA ASN 5 -4.569 -3.844 -4.425 35 1HB ASN 5 HB2 ASN 5 -3.361 -5.902 -4.042 36 2HB ASN 5 HB1 ASN 5 -4.272 -6.212 -2.561 37 1HD2 ASN 5 HD22 ASN 5 -5.746 -7.645 -5.954 38 2HD2 ASN 5 HD21 ASN 5 -4.112 -7.229 -5.695 39 H GLN 6 HN GLN 6 -5.945 -5.750 -1.799 40 HA GLN 6 HA GLN 6 -8.619 -5.173 -2.392 41 1HB GLN 6 HB2 GLN 6 -7.480 -6.839 -0.663 42 2HB GLN 6 HB1 GLN 6 -7.865 -5.550 0.478 43 1HG GLN 6 HG2 GLN 6 -10.018 -6.196 0.511 44 2HG GLN 6 HG1 GLN 6 -10.129 -5.959 -1.233 45 1HE2 GLN 6 HE22 GLN 6 -9.591 -9.731 0.263 46 2HE2 GLN 6 HE21 GLN 6 -9.430 -8.375 1.286 47 H THR 7 HN THR 7 -9.940 -4.163 -0.210 48 HA THR 7 HA THR 7 -10.138 -1.448 -0.547 49 HB THR 7 HB THR 7 -10.246 -1.883 2.289 50 HG1 THR 7 HG1 THR 7 -10.501 -3.970 2.252 51 1HG2 THR 7 HG22 THR 7 -11.701 -0.492 0.659 52 2HG2 THR 7 HG21 THR 7 -12.575 -1.998 0.379 53 3HG2 THR 7 HG23 THR 7 -12.513 -1.303 1.999 54 H ALA 8 HN ALA 8 -7.614 -3.158 1.161 55 HA ALA 8 HA ALA 8 -5.660 -1.198 0.855 56 1HB ALA 8 HB1 ALA 8 -7.303 -0.845 3.354 57 2HB ALA 8 HB3 ALA 8 -5.609 -0.361 3.311 58 3HB ALA 8 HB2 ALA 8 -6.767 0.378 2.206 59 H CYS 9 HN CYS 9 -3.723 -2.095 1.447 60 HA CYS 9 HA CYS 9 -3.805 -4.466 3.264 61 1HB CYS 9 HB2 CYS 9 -2.545 -5.744 1.791 62 2HB CYS 9 HB1 CYS 9 -3.558 -4.831 0.676 63 HA PRO 10 HA PRO 10 -0.324 -2.862 5.258 64 1HB PRO 10 HB2 PRO 10 1.295 -5.264 5.157 65 2HB PRO 10 HB1 PRO 10 0.404 -4.587 6.528 66 1HG PRO 10 HG2 PRO 10 -0.293 -6.883 4.966 67 2HG PRO 10 HG1 PRO 10 -1.221 -6.152 6.285 68 1HD PRO 10 HD2 PRO 10 -1.852 -6.133 3.490 69 2HD PRO 10 HD1 PRO 10 -2.738 -5.339 4.808 70 H ALA 11 HN ALA 11 2.387 -3.458 5.092 71 HA ALA 11 HA ALA 11 2.989 -2.649 2.275 72 1HB ALA 11 HB2 ALA 11 3.726 -1.465 4.833 73 2HB ALA 11 HB1 ALA 11 5.143 -1.824 3.845 74 3HB ALA 11 HB3 ALA 11 3.862 -0.792 3.209 75 H ASP 12 HN ASP 12 2.958 -5.264 2.449 76 HA ASP 12 HA ASP 12 5.570 -6.304 3.344 77 1HB ASP 12 HB2 ASP 12 4.707 -8.484 2.708 78 2HB ASP 12 HB1 ASP 12 3.445 -7.631 3.604 79 H CYS 13 HN CYS 13 6.322 -4.524 1.631 80 HA CYS 13 HA CYS 13 6.189 -4.713 -1.096 81 1HB CYS 13 HB2 CYS 13 8.384 -4.025 0.785 82 2HB CYS 13 HB1 CYS 13 8.851 -4.335 -0.892 83 H ASP 14 HN ASP 14 6.420 -6.342 -2.509 84 HA ASP 14 HA ASP 14 7.789 -8.821 -1.682 85 1HB ASP 14 HB2 ASP 14 5.575 -8.271 -3.280 86 2HB ASP 14 HB1 ASP 14 6.832 -8.702 -4.445 87 HA PRO 15 HA PRO 15 11.261 -7.905 -4.168 88 1HB PRO 15 HB2 PRO 15 11.808 -10.587 -5.047 89 2HB PRO 15 HB1 PRO 15 12.535 -9.716 -3.690 90 1HG PRO 15 HG2 PRO 15 10.640 -11.880 -3.578 91 2HG PRO 15 HG1 PRO 15 11.365 -11.000 -2.226 92 1HD PRO 15 HD2 PRO 15 8.655 -10.836 -3.181 93 2HD PRO 15 HD1 PRO 15 9.390 -9.952 -1.831 94 H ASN 16 HN ASN 16 8.590 -9.438 -5.683 95 HA ASN 16 HA ASN 16 9.757 -8.881 -8.381 96 1HB ASN 16 HB2 ASN 16 7.965 -11.001 -7.331 97 2HB ASN 16 HB1 ASN 16 7.560 -10.372 -8.928 98 1HD2 ASN 16 HD22 ASN 16 10.771 -12.799 -8.498 99 2HD2 ASN 16 HD21 ASN 16 9.739 -12.432 -7.190 100 H THR 17 HN THR 17 7.356 -7.965 -6.104 101 HA THR 17 HA THR 17 6.229 -6.071 -8.105 102 HB THR 17 HB THR 17 4.714 -8.077 -7.880 103 HG1 THR 17 HG1 THR 17 3.075 -6.763 -8.082 104 1HG2 THR 17 HG22 THR 17 5.325 -7.794 -5.176 105 2HG2 THR 17 HG21 THR 17 3.656 -7.235 -5.298 106 3HG2 THR 17 HG23 THR 17 4.088 -8.851 -5.857 107 H GLN 18 HN GLN 18 8.044 -5.125 -6.436 108 HA GLN 18 HA GLN 18 7.194 -4.445 -3.793 109 1HB GLN 18 HB2 GLN 18 8.925 -2.644 -3.957 110 2HB GLN 18 HB1 GLN 18 9.530 -4.228 -4.442 111 1HG GLN 18 HG2 GLN 18 8.570 -3.290 -6.821 112 2HG GLN 18 HG1 GLN 18 9.118 -1.794 -6.064 113 1HE2 GLN 18 HE22 GLN 18 12.575 -2.701 -6.149 114 2HE2 GLN 18 HE21 GLN 18 11.429 -1.682 -5.404 115 H ALA 19 HN ALA 19 5.055 -3.661 -3.831 116 HA ALA 19 HA ALA 19 4.811 -0.837 -4.610 117 1HB ALA 19 HB3 ALA 19 3.404 -3.062 -6.033 118 2HB ALA 19 HB2 ALA 19 2.521 -1.562 -5.750 119 3HB ALA 19 HB1 ALA 19 4.025 -1.540 -6.673 120 H SER 20 HN SER 20 4.542 -2.859 -2.243 121 HA SER 20 HA SER 20 1.819 -2.010 -1.401 122 1HB SER 20 HB2 SER 20 3.105 -4.515 -1.253 123 2HB SER 20 HB1 SER 20 3.058 -3.905 0.398 124 HG SER 20 HG SER 20 1.137 -5.094 -0.680 125 H CYS 21 HN CYS 21 5.103 -1.539 -0.875 126 HA CYS 21 HA CYS 21 4.467 0.076 1.524 127 1HB CYS 21 HB2 CYS 21 6.398 -0.555 2.687 128 2HB CYS 21 HB1 CYS 21 5.845 -2.070 1.971 129 H GLU 22 HN GLU 22 6.022 -0.130 -1.477 130 HA GLU 22 HA GLU 22 7.671 2.214 -1.263 131 1HB GLU 22 HB2 GLU 22 6.337 1.133 -3.760 132 2HB GLU 22 HB1 GLU 22 7.755 2.182 -3.698 133 1HG GLU 22 HG2 GLU 22 8.042 -0.269 -2.105 134 2HG GLU 22 HG1 GLU 22 7.835 -0.571 -3.831 135 H CYS 23 HN CYS 23 4.421 1.581 -1.448 136 HA CYS 23 HA CYS 23 2.505 2.823 -1.544 137 1HB CYS 23 HB2 CYS 23 4.554 4.474 -0.180 138 2HB CYS 23 HB1 CYS 23 3.022 5.246 -0.582 139 HA PRO 24 HA PRO 24 2.165 4.599 -5.522 140 1HB PRO 24 HB2 PRO 24 0.089 6.312 -4.300 141 2HB PRO 24 HB1 PRO 24 -0.051 5.169 -5.647 142 1HG PRO 24 HG2 PRO 24 -0.998 4.744 -3.047 143 2HG PRO 24 HG1 PRO 24 -0.761 3.491 -4.278 144 1HD PRO 24 HD2 PRO 24 0.751 3.925 -1.844 145 2HD PRO 24 HD1 PRO 24 0.904 2.602 -3.017 146 H GLU 25 HN GLU 25 4.068 5.859 -5.642 147 HA GLU 25 HA GLU 25 5.467 7.735 -5.313 148 1HB GLU 25 HB2 GLU 25 3.875 8.501 -7.028 149 2HB GLU 25 HB1 GLU 25 2.782 9.057 -5.760 150 1HG GLU 25 HG2 GLU 25 4.578 10.573 -4.927 151 2HG GLU 25 HG1 GLU 25 5.588 10.075 -6.285 152 H GLY 26 HN GLY 26 5.860 7.330 -3.056 153 1HA GLY 26 HA2 GLY 26 5.814 7.860 -0.764 154 2HA GLY 26 HA1 GLY 26 5.570 9.509 -1.349 155 H TYR 27 HN TYR 27 3.245 6.951 -2.009 156 HA TYR 27 HA TYR 27 0.916 8.248 -1.331 157 1HB TYR 27 HB2 TYR 27 1.376 5.738 -2.011 158 2HB TYR 27 HB1 TYR 27 1.197 5.462 -0.278 159 HD1 TYR 27 HD1 TYR 27 -0.493 7.844 -2.630 160 HD2 TYR 27 HD2 TYR 27 -0.927 4.580 0.129 161 HE1 TYR 27 HE1 TYR 27 -2.957 7.978 -2.860 162 HE2 TYR 27 HE2 TYR 27 -3.391 4.714 -0.101 163 HH TYR 27 HH TYR 27 -4.908 6.582 -2.550 164 H ILE 28 HN ILE 28 3.232 6.777 0.879 165 HA ILE 28 HA ILE 28 3.697 7.401 3.100 166 HB ILE 28 HB ILE 28 2.031 9.458 2.354 167 1HG1 ILE 28 HG12 ILE 28 2.777 9.265 5.233 168 2HG1 ILE 28 HG11 ILE 28 4.078 9.105 4.048 169 1HG2 ILE 28 HG21 ILE 28 0.029 8.275 3.215 170 2HG2 ILE 28 HG23 ILE 28 0.798 8.141 4.796 171 3HG2 ILE 28 HG22 ILE 28 0.373 9.727 4.153 172 1HD1 ILE 28 HD11 ILE 28 2.447 11.256 3.178 173 2HD1 ILE 28 HD13 ILE 28 2.715 11.491 4.906 174 3HD1 ILE 28 HD12 ILE 28 4.091 11.341 3.813 175 H LEU 29 HN LEU 29 3.617 5.580 4.291 176 HA LEU 29 HA LEU 29 1.541 3.684 4.330 177 1HB LEU 29 HB2 LEU 29 3.964 4.226 5.875 178 2HB LEU 29 HB1 LEU 29 2.689 3.491 6.854 179 HG LEU 29 HG LEU 29 3.591 2.437 4.168 180 1HD1 LEU 29 HD12 LEU 29 5.320 2.282 6.019 181 2HD1 LEU 29 HD11 LEU 29 4.164 1.297 6.916 182 3HD1 LEU 29 HD13 LEU 29 4.794 0.728 5.371 183 1HD2 LEU 29 HD23 LEU 29 1.711 1.461 6.326 184 2HD2 LEU 29 HD22 LEU 29 1.344 1.769 4.633 185 3HD2 LEU 29 HD21 LEU 29 2.348 0.391 5.077 186 H ASP 30 HN ASP 30 0.505 3.118 6.636 187 HA ASP 30 HA ASP 30 -0.298 4.832 8.591 188 1HB ASP 30 HB2 ASP 30 -2.478 5.827 7.595 189 2HB ASP 30 HB1 ASP 30 -0.955 6.621 7.195 190 H ASP 31 HN ASP 31 -2.706 4.446 9.311 191 HA ASP 31 HA ASP 31 -4.330 2.871 9.917 192 1HB ASP 31 HB2 ASP 31 -4.140 2.821 7.081 193 2HB ASP 31 HB1 ASP 31 -4.281 1.148 7.621 194 H GLY 32 HN GLY 32 -1.302 2.298 10.130 195 1HA GLY 32 HA2 GLY 32 -0.281 0.543 11.397 196 2HA GLY 32 HA1 GLY 32 -1.661 -0.491 11.031 197 H PHE 33 HN PHE 33 1.097 1.088 9.422 198 HA PHE 33 HA PHE 33 2.434 0.353 7.652 199 1HB PHE 33 HB2 PHE 33 1.550 -2.384 8.608 200 2HB PHE 33 HB1 PHE 33 2.952 -2.035 7.593 201 HD1 PHE 33 HD1 PHE 33 3.183 0.729 9.389 202 HD2 PHE 33 HD2 PHE 33 3.310 -3.503 10.120 203 HE1 PHE 33 HE1 PHE 33 4.559 1.120 11.414 204 HE2 PHE 33 HE2 PHE 33 4.685 -3.110 12.146 205 HZ PHE 33 HZ PHE 33 5.310 -0.799 12.792 206 H ILE 34 HN ILE 34 -0.729 0.469 7.443 207 HA ILE 34 HA ILE 34 -0.994 -1.202 5.013 208 HB ILE 34 HB ILE 34 -3.142 0.531 6.253 209 1HG1 ILE 34 HG12 ILE 34 -2.541 -0.950 8.021 210 2HG1 ILE 34 HG11 ILE 34 -3.898 -1.748 7.216 211 1HG2 ILE 34 HG21 ILE 34 -3.185 -0.548 3.842 212 2HG2 ILE 34 HG23 ILE 34 -3.530 -2.033 4.727 213 3HG2 ILE 34 HG22 ILE 34 -4.616 -0.651 4.867 214 1HD1 ILE 34 HD11 ILE 34 -2.129 -2.942 5.784 215 2HD1 ILE 34 HD13 ILE 34 -0.951 -2.370 6.965 216 3HD1 ILE 34 HD12 ILE 34 -2.252 -3.449 7.469 217 H CYS 35 HN CYS 35 0.236 -0.107 3.556 218 HA CYS 35 HA CYS 35 0.638 2.582 3.140 219 1HB CYS 35 HB2 CYS 35 1.598 0.828 1.685 220 2HB CYS 35 HB1 CYS 35 0.015 0.617 0.923 221 H THR 36 HN THR 36 -2.195 0.766 2.007 222 HA THR 36 HA THR 36 -3.558 2.719 0.593 223 HB THR 36 HB THR 36 -5.170 1.256 2.550 224 HG1 THR 36 HG1 THR 36 -4.102 -0.505 2.253 225 1HG2 THR 36 HG23 THR 36 -5.162 1.845 -0.390 226 2HG2 THR 36 HG22 THR 36 -6.171 0.544 0.241 227 3HG2 THR 36 HG21 THR 36 -6.410 2.198 0.805 228 H ASP 37 HN ASP 37 -5.597 3.938 1.505 229 HA ASP 37 HA ASP 37 -4.929 5.131 4.162 230 1HB ASP 37 HB2 ASP 37 -4.068 6.657 2.448 231 2HB ASP 37 HB1 ASP 37 -5.636 6.661 1.640 232 H ILE 38 HN ILE 38 -7.392 5.465 1.584 233 HA ILE 38 HA ILE 38 -9.587 6.204 3.003 234 HB ILE 38 HB ILE 38 -9.198 5.351 0.514 235 1HG1 ILE 38 HG12 ILE 38 -11.322 6.319 2.054 236 2HG1 ILE 38 HG11 ILE 38 -11.208 6.300 0.297 237 1HG2 ILE 38 HG23 ILE 38 -9.079 2.950 1.315 238 2HG2 ILE 38 HG22 ILE 38 -10.804 3.064 1.667 239 3HG2 ILE 38 HG21 ILE 38 -10.228 3.255 0.011 240 1HD1 ILE 38 HD13 ILE 38 -12.338 4.030 1.968 241 2HD1 ILE 38 HD12 ILE 38 -13.314 5.248 1.147 242 3HD1 ILE 38 HD11 ILE 38 -12.327 4.130 0.207 243 H ASP 39 HN ASP 39 -10.335 5.509 4.932 244 HA ASP 39 HA ASP 39 -9.819 2.751 5.820 245 1HB ASP 39 HB2 ASP 39 -11.373 4.907 7.272 246 2HB ASP 39 HB1 ASP 39 -10.586 3.487 7.971 247 H GLU 40 HN GLU 40 -12.778 4.777 5.850 248 HA GLU 40 HA GLU 40 -15.012 4.174 5.452 249 1HB GLU 40 HB2 GLU 40 -13.827 3.460 3.251 250 2HB GLU 40 HB1 GLU 40 -13.974 1.819 3.880 251 1HG GLU 40 HG2 GLU 40 -16.168 1.740 3.374 252 2HG GLU 40 HG1 GLU 40 -16.468 3.280 4.179 No H/Q in entry = 252 Start of MODEL 8 1 1H GLN 1 HT1 GLN 1 1.792 -0.727 -9.352 2 2H GLN 1 HT3 GLN 1 2.407 -0.090 -10.799 3 3H GLN 1 HT2 GLN 1 2.800 0.640 -9.316 4 HA GLN 1 HA GLN 1 1.111 2.020 -9.612 5 1HB GLN 1 HB2 GLN 1 1.258 0.831 -12.068 6 2HB GLN 1 HB1 GLN 1 -0.396 0.432 -11.600 7 1HG GLN 1 HG2 GLN 1 -0.881 2.788 -11.170 8 2HG GLN 1 HG1 GLN 1 0.790 3.222 -11.531 9 1HE2 GLN 1 HE22 GLN 1 -1.763 2.312 -14.610 10 2HE2 GLN 1 HE21 GLN 1 -2.187 1.902 -13.018 11 H MET 2 HN MET 2 0.917 0.151 -7.572 12 HA MET 2 HA MET 2 -2.037 -0.221 -7.437 13 1HB MET 2 HB2 MET 2 -0.244 -2.310 -6.243 14 2HB MET 2 HB1 MET 2 -1.911 -2.458 -6.800 15 1HG MET 2 HG2 MET 2 0.412 -1.950 -8.674 16 2HG MET 2 HG1 MET 2 -0.178 -3.566 -8.290 17 1HE MET 2 HE3 MET 2 -0.785 -4.506 -9.889 18 2HE MET 2 HE2 MET 2 -2.478 -4.490 -10.377 19 3HE MET 2 HE1 MET 2 -1.257 -3.792 -11.438 20 H PHE 3 HN PHE 3 -2.885 0.178 -5.380 21 HA PHE 3 HA PHE 3 -0.941 1.266 -3.402 22 1HB PHE 3 HB2 PHE 3 -3.619 1.699 -2.534 23 2HB PHE 3 HB1 PHE 3 -2.470 2.897 -3.123 24 HD1 PHE 3 HD1 PHE 3 -2.476 3.604 -5.480 25 HD2 PHE 3 HD2 PHE 3 -5.332 0.764 -3.986 26 HE1 PHE 3 HE1 PHE 3 -3.853 3.915 -7.519 27 HE2 PHE 3 HE2 PHE 3 -6.709 1.075 -6.025 28 HZ PHE 3 HZ PHE 3 -5.969 2.651 -7.792 29 H CYS 4 HN CYS 4 -0.265 -0.714 -2.426 30 HA CYS 4 HA CYS 4 -0.440 -2.297 -0.699 31 1HB CYS 4 HB2 CYS 4 -2.464 -0.589 -0.046 32 2HB CYS 4 HB1 CYS 4 -3.377 -2.068 -0.367 33 H ASN 5 HN ASN 5 -0.964 -2.690 -3.614 34 HA ASN 5 HA ASN 5 -1.362 -4.567 -4.961 35 1HB ASN 5 HB2 ASN 5 -1.199 -5.605 -2.277 36 2HB ASN 5 HB1 ASN 5 -2.414 -6.499 -3.197 37 1HD2 ASN 5 HD22 ASN 5 0.098 -7.388 -5.765 38 2HD2 ASN 5 HD21 ASN 5 -1.451 -6.673 -5.726 39 H GLN 6 HN GLN 6 -3.795 -3.051 -3.141 40 HA GLN 6 HA GLN 6 -5.821 -3.358 -5.041 41 1HB GLN 6 HB2 GLN 6 -5.875 -5.740 -4.681 42 2HB GLN 6 HB1 GLN 6 -5.874 -5.532 -2.930 43 1HG GLN 6 HG2 GLN 6 -8.099 -4.937 -2.859 44 2HG GLN 6 HG1 GLN 6 -8.068 -4.223 -4.472 45 1HE2 GLN 6 HE22 GLN 6 -9.954 -7.276 -5.072 46 2HE2 GLN 6 HE21 GLN 6 -10.174 -5.685 -4.497 47 H THR 7 HN THR 7 -5.634 -1.156 -3.947 48 HA THR 7 HA THR 7 -6.735 0.475 -2.673 49 HB THR 7 HB THR 7 -8.493 -1.263 -1.125 50 HG1 THR 7 HG1 THR 7 -8.929 -1.355 -3.892 51 1HG2 THR 7 HG23 THR 7 -8.820 1.156 -1.587 52 2HG2 THR 7 HG22 THR 7 -9.029 0.778 -3.297 53 3HG2 THR 7 HG21 THR 7 -10.194 0.183 -2.114 54 H ALA 8 HN ALA 8 -7.142 -2.213 -0.365 55 HA ALA 8 HA ALA 8 -4.978 -0.976 1.276 56 1HB ALA 8 HB2 ALA 8 -7.241 -0.376 2.140 57 2HB ALA 8 HB1 ALA 8 -7.592 -2.093 2.330 58 3HB ALA 8 HB3 ALA 8 -6.311 -1.345 3.284 59 H CYS 9 HN CYS 9 -4.097 -2.539 2.917 60 HA CYS 9 HA CYS 9 -4.603 -5.344 2.819 61 1HB CYS 9 HB2 CYS 9 -2.927 -6.174 1.337 62 2HB CYS 9 HB1 CYS 9 -3.733 -4.886 0.455 63 HA PRO 10 HA PRO 10 -1.259 -4.180 5.632 64 1HB PRO 10 HB2 PRO 10 0.270 -6.540 5.784 65 2HB PRO 10 HB1 PRO 10 -1.342 -6.290 6.474 66 1HG PRO 10 HG2 PRO 10 -0.620 -7.949 4.230 67 2HG PRO 10 HG1 PRO 10 -2.222 -7.714 4.947 68 1HD PRO 10 HD2 PRO 10 -1.137 -6.607 2.490 69 2HD PRO 10 HD1 PRO 10 -2.807 -6.614 3.086 70 H ALA 11 HN ALA 11 0.106 -4.020 2.791 71 HA ALA 11 HA ALA 11 2.195 -3.362 1.937 72 1HB ALA 11 HB2 ALA 11 1.699 -1.980 4.440 73 2HB ALA 11 HB1 ALA 11 3.428 -2.220 4.191 74 3HB ALA 11 HB3 ALA 11 2.471 -1.379 2.972 75 H ASP 12 HN ASP 12 2.937 -5.625 1.778 76 HA ASP 12 HA ASP 12 4.886 -6.336 3.924 77 1HB ASP 12 HB2 ASP 12 2.853 -7.885 3.357 78 2HB ASP 12 HB1 ASP 12 3.815 -8.329 1.943 79 H CYS 13 HN CYS 13 4.897 -4.859 1.131 80 HA CYS 13 HA CYS 13 6.267 -4.882 -0.829 81 1HB CYS 13 HB2 CYS 13 8.589 -5.154 1.018 82 2HB CYS 13 HB1 CYS 13 8.271 -3.938 -0.221 83 H ASP 14 HN ASP 14 5.986 -6.881 -1.906 84 HA ASP 14 HA ASP 14 7.778 -9.103 -1.045 85 1HB ASP 14 HB2 ASP 14 5.100 -9.039 -1.986 86 2HB ASP 14 HB1 ASP 14 6.063 -9.811 -3.250 87 HA PRO 15 HA PRO 15 10.579 -8.516 -4.301 88 1HB PRO 15 HB2 PRO 15 10.556 -11.220 -5.284 89 2HB PRO 15 HB1 PRO 15 11.776 -10.439 -4.268 90 1HG PRO 15 HG2 PRO 15 9.852 -12.432 -3.487 91 2HG PRO 15 HG1 PRO 15 11.070 -11.644 -2.475 92 1HD PRO 15 HD2 PRO 15 8.223 -11.231 -2.446 93 2HD PRO 15 HD1 PRO 15 9.449 -10.431 -1.446 94 H ASN 16 HN ASN 16 7.826 -10.645 -5.135 95 HA ASN 16 HA ASN 16 7.910 -9.676 -7.927 96 1HB ASN 16 HB2 ASN 16 6.004 -11.617 -6.580 97 2HB ASN 16 HB1 ASN 16 6.095 -11.293 -8.311 98 1HD2 ASN 16 HD22 ASN 16 9.594 -12.717 -8.246 99 2HD2 ASN 16 HD21 ASN 16 8.980 -11.150 -8.523 100 H THR 17 HN THR 17 7.291 -7.754 -5.824 101 HA THR 17 HA THR 17 5.088 -6.413 -6.995 102 HB THR 17 HB THR 17 3.741 -8.265 -6.077 103 HG1 THR 17 HG1 THR 17 2.942 -6.084 -6.063 104 1HG2 THR 17 HG23 THR 17 5.569 -8.102 -3.964 105 2HG2 THR 17 HG22 THR 17 4.037 -7.562 -3.275 106 3HG2 THR 17 HG21 THR 17 4.149 -9.145 -4.046 107 H GLN 18 HN GLN 18 6.879 -4.863 -6.566 108 HA GLN 18 HA GLN 18 7.458 -4.138 -3.794 109 1HB GLN 18 HB2 GLN 18 8.959 -3.827 -5.919 110 2HB GLN 18 HB1 GLN 18 8.017 -2.354 -6.156 111 1HG GLN 18 HG2 GLN 18 9.092 -1.287 -4.481 112 2HG GLN 18 HG1 GLN 18 8.889 -2.656 -3.387 113 1HE2 GLN 18 HE22 GLN 18 12.401 -2.188 -5.403 114 2HE2 GLN 18 HE21 GLN 18 11.084 -1.143 -5.692 115 H ALA 19 HN ALA 19 4.751 -3.737 -5.614 116 HA ALA 19 HA ALA 19 4.097 -0.979 -5.310 117 1HB ALA 19 HB1 ALA 19 2.780 -3.363 -6.179 118 2HB ALA 19 HB3 ALA 19 1.730 -2.551 -5.018 119 3HB ALA 19 HB2 ALA 19 2.295 -1.690 -6.450 120 H SER 20 HN SER 20 3.392 -3.775 -3.183 121 HA SER 20 HA SER 20 1.903 -2.542 -1.192 122 1HB SER 20 HB2 SER 20 4.197 -4.498 -0.820 123 2HB SER 20 HB1 SER 20 3.022 -4.093 0.427 124 HG SER 20 HG SER 20 2.260 -5.007 -2.140 125 H CYS 21 HN CYS 21 2.675 -1.710 0.978 126 HA CYS 21 HA CYS 21 3.632 0.193 1.987 127 1HB CYS 21 HB2 CYS 21 6.026 -0.125 2.488 128 2HB CYS 21 HB1 CYS 21 5.102 -1.607 2.742 129 H GLU 22 HN GLU 22 6.067 1.555 1.525 130 HA GLU 22 HA GLU 22 6.633 3.462 0.217 131 1HB GLU 22 HB2 GLU 22 6.578 2.002 -2.327 132 2HB GLU 22 HB1 GLU 22 7.945 2.743 -1.495 133 1HG GLU 22 HG2 GLU 22 7.624 0.674 0.143 134 2HG GLU 22 HG1 GLU 22 6.883 -0.045 -1.287 135 H CYS 23 HN CYS 23 3.856 2.805 0.601 136 HA CYS 23 HA CYS 23 1.842 2.763 -0.885 137 1HB CYS 23 HB2 CYS 23 2.658 5.008 0.826 138 2HB CYS 23 HB1 CYS 23 1.341 5.376 -0.282 139 HA PRO 24 HA PRO 24 2.437 3.402 -5.290 140 1HB PRO 24 HB2 PRO 24 0.497 5.548 -4.465 141 2HB PRO 24 HB1 PRO 24 0.436 4.463 -5.871 142 1HG PRO 24 HG2 PRO 24 -1.020 4.008 -3.626 143 2HG PRO 24 HG1 PRO 24 -0.407 2.692 -4.636 144 1HD PRO 24 HD2 PRO 24 0.427 3.469 -1.934 145 2HD PRO 24 HD1 PRO 24 0.797 1.983 -2.833 146 H GLU 25 HN GLU 25 1.821 6.265 -5.973 147 HA GLU 25 HA GLU 25 4.507 7.329 -5.272 148 1HB GLU 25 HB2 GLU 25 3.852 8.943 -7.249 149 2HB GLU 25 HB1 GLU 25 4.432 7.316 -7.603 150 1HG GLU 25 HG2 GLU 25 2.199 6.498 -7.929 151 2HG GLU 25 HG1 GLU 25 1.499 7.988 -7.296 152 H GLY 26 HN GLY 26 2.941 7.610 -3.247 153 1HA GLY 26 HA2 GLY 26 2.804 9.903 -2.109 154 2HA GLY 26 HA1 GLY 26 1.713 10.319 -3.437 155 H TYR 27 HN TYR 27 1.170 7.095 -2.824 156 HA TYR 27 HA TYR 27 -1.432 7.507 -1.813 157 1HB TYR 27 HB2 TYR 27 0.046 5.235 -2.444 158 2HB TYR 27 HB1 TYR 27 -0.319 5.048 -0.725 159 HD1 TYR 27 HD2 TYR 27 -2.067 6.282 -3.813 160 HD2 TYR 27 HD1 TYR 27 -2.314 3.976 -0.196 161 HE1 TYR 27 HE2 TYR 27 -4.406 5.674 -4.362 162 HE2 TYR 27 HE1 TYR 27 -4.655 3.368 -0.748 163 HH TYR 27 HH TYR 27 -6.467 4.956 -3.067 164 H ILE 28 HN ILE 28 1.638 7.538 -0.258 165 HA ILE 28 HA ILE 28 2.343 7.878 1.927 166 HB ILE 28 HB ILE 28 0.803 9.941 1.281 167 1HG1 ILE 28 HG12 ILE 28 1.198 10.215 4.092 168 2HG1 ILE 28 HG11 ILE 28 2.507 9.211 3.461 169 1HG2 ILE 28 HG22 ILE 28 -0.694 8.595 3.549 170 2HG2 ILE 28 HG21 ILE 28 -0.858 10.303 3.156 171 3HG2 ILE 28 HG23 ILE 28 -1.338 9.083 1.982 172 1HD1 ILE 28 HD13 ILE 28 2.154 11.274 1.572 173 2HD1 ILE 28 HD12 ILE 28 2.092 12.057 3.151 174 3HD1 ILE 28 HD11 ILE 28 3.494 11.086 2.702 175 H LEU 29 HN LEU 29 2.447 6.477 3.578 176 HA LEU 29 HA LEU 29 0.455 4.484 4.038 177 1HB LEU 29 HB2 LEU 29 2.975 5.342 5.344 178 2HB LEU 29 HB1 LEU 29 1.824 4.515 6.398 179 HG LEU 29 HG LEU 29 2.782 3.486 3.726 180 1HD1 LEU 29 HD12 LEU 29 3.894 3.289 6.403 181 2HD1 LEU 29 HD11 LEU 29 3.497 1.699 5.751 182 3HD1 LEU 29 HD13 LEU 29 4.590 2.766 4.869 183 1HD2 LEU 29 HD21 LEU 29 0.913 2.409 5.820 184 2HD2 LEU 29 HD23 LEU 29 0.619 2.613 4.093 185 3HD2 LEU 29 HD22 LEU 29 1.714 1.351 4.659 186 H ASP 30 HN ASP 30 0.020 4.417 6.765 187 HA ASP 30 HA ASP 30 -1.009 6.971 7.731 188 1HB ASP 30 HB2 ASP 30 -2.674 5.523 5.971 189 2HB ASP 30 HB1 ASP 30 -3.330 5.258 7.587 190 H ASP 31 HN ASP 31 -3.011 5.976 9.457 191 HA ASP 31 HA ASP 31 -1.631 5.120 11.704 192 1HB ASP 31 HB2 ASP 31 -4.308 5.470 11.071 193 2HB ASP 31 HB1 ASP 31 -4.219 3.752 11.458 194 H GLY 32 HN GLY 32 -0.034 3.564 11.300 195 1HA GLY 32 HA2 GLY 32 0.415 1.177 11.583 196 2HA GLY 32 HA1 GLY 32 -1.055 0.844 10.655 197 H PHE 33 HN PHE 33 1.728 0.015 10.072 198 HA PHE 33 HA PHE 33 2.652 1.621 7.846 199 1HB PHE 33 HB2 PHE 33 4.361 -0.021 7.586 200 2HB PHE 33 HB1 PHE 33 4.071 0.102 9.324 201 HD1 PHE 33 HD2 PHE 33 2.603 -1.606 10.460 202 HD2 PHE 33 HD1 PHE 33 3.935 -2.045 6.401 203 HE1 PHE 33 HE2 PHE 33 2.044 -4.021 10.537 204 HE2 PHE 33 HE1 PHE 33 3.375 -4.459 6.477 205 HZ PHE 33 HZ PHE 33 2.431 -5.448 8.546 206 H ILE 34 HN ILE 34 -0.189 0.508 7.638 207 HA ILE 34 HA ILE 34 0.151 -1.308 5.321 208 HB ILE 34 HB ILE 34 -2.433 -0.339 6.551 209 1HG1 ILE 34 HG12 ILE 34 -1.537 -1.593 8.317 210 2HG1 ILE 34 HG11 ILE 34 -2.410 -2.827 7.406 211 1HG2 ILE 34 HG21 ILE 34 -2.458 -1.161 4.178 212 2HG2 ILE 34 HG23 ILE 34 -1.828 -2.705 4.743 213 3HG2 ILE 34 HG22 ILE 34 -3.421 -2.157 5.265 214 1HD1 ILE 34 HD11 ILE 34 0.038 -2.842 6.170 215 2HD1 ILE 34 HD13 ILE 34 0.486 -2.513 7.838 216 3HD1 ILE 34 HD12 ILE 34 -0.444 -3.957 7.439 217 H CYS 35 HN CYS 35 -0.511 -0.771 3.282 218 HA CYS 35 HA CYS 35 -0.764 2.148 2.809 219 1HB CYS 35 HB2 CYS 35 0.738 0.541 1.437 220 2HB CYS 35 HB1 CYS 35 -0.769 0.042 0.653 221 H THR 36 HN THR 36 -2.641 3.088 1.922 222 HA THR 36 HA THR 36 -4.788 1.722 0.716 223 HB THR 36 HB THR 36 -5.370 0.471 2.577 224 HG1 THR 36 HG1 THR 36 -7.213 1.349 3.261 225 1HG2 THR 36 HG21 THR 36 -4.099 2.727 4.056 226 2HG2 THR 36 HG23 THR 36 -5.305 1.766 4.910 227 3HG2 THR 36 HG22 THR 36 -3.869 0.989 4.244 228 H ASP 37 HN ASP 37 -6.942 3.042 1.048 229 HA ASP 37 HA ASP 37 -6.270 5.918 1.498 230 1HB ASP 37 HB2 ASP 37 -6.400 4.991 -1.006 231 2HB ASP 37 HB1 ASP 37 -8.127 5.222 -0.734 232 H ILE 38 HN ILE 38 -7.444 5.643 3.526 233 HA ILE 38 HA ILE 38 -10.357 5.959 3.134 234 HB ILE 38 HB ILE 38 -10.717 4.342 5.108 235 1HG1 ILE 38 HG12 ILE 38 -8.019 3.333 4.149 236 2HG1 ILE 38 HG11 ILE 38 -8.263 4.221 5.657 237 1HG2 ILE 38 HG21 ILE 38 -10.825 4.006 2.390 238 2HG2 ILE 38 HG23 ILE 38 -9.748 2.691 2.861 239 3HG2 ILE 38 HG22 ILE 38 -11.362 2.803 3.562 240 1HD1 ILE 38 HD11 ILE 38 -10.197 2.110 5.525 241 2HD1 ILE 38 HD13 ILE 38 -8.604 1.429 5.198 242 3HD1 ILE 38 HD12 ILE 38 -8.890 2.325 6.689 243 H ASP 39 HN ASP 39 -11.183 6.079 5.736 244 HA ASP 39 HA ASP 39 -9.454 8.251 6.848 245 1HB ASP 39 HB2 ASP 39 -12.432 7.807 6.827 246 2HB ASP 39 HB1 ASP 39 -11.694 8.816 8.075 247 H GLU 40 HN GLU 40 -8.620 5.751 7.527 248 HA GLU 40 HA GLU 40 -9.495 5.547 10.375 249 1HB GLU 40 HB2 GLU 40 -10.544 3.678 9.273 250 2HB GLU 40 HB1 GLU 40 -9.057 3.283 8.411 251 1HG GLU 40 HG2 GLU 40 -8.835 3.401 11.366 252 2HG GLU 40 HG1 GLU 40 -9.799 2.070 10.722 No H/Q in entry = 252 Start of MODEL 9 1 1H GLN 1 HT1 GLN 1 3.373 1.835 -8.005 2 2H GLN 1 HT3 GLN 1 3.910 1.002 -9.382 3 3H GLN 1 HT2 GLN 1 4.332 2.633 -9.158 4 HA GLN 1 HA GLN 1 2.172 3.389 -9.570 5 1HB GLN 1 HB2 GLN 1 3.458 2.592 -11.576 6 2HB GLN 1 HB1 GLN 1 2.619 1.046 -11.442 7 1HG GLN 1 HG2 GLN 1 0.440 2.383 -11.526 8 2HG GLN 1 HG1 GLN 1 1.424 3.760 -12.024 9 1HE2 GLN 1 HE22 GLN 1 0.419 1.010 -14.762 10 2HE2 GLN 1 HE21 GLN 1 -0.287 1.086 -13.220 11 H MET 2 HN MET 2 1.456 2.096 -7.374 12 HA MET 2 HA MET 2 -1.131 0.984 -8.013 13 1HB MET 2 HB2 MET 2 1.125 -0.850 -7.730 14 2HB MET 2 HB1 MET 2 -0.158 -1.188 -6.568 15 1HG MET 2 HG2 MET 2 -1.083 -0.606 -9.317 16 2HG MET 2 HG1 MET 2 -0.165 -2.102 -9.135 17 1HE MET 2 HE1 MET 2 -2.145 -2.829 -10.190 18 2HE MET 2 HE3 MET 2 -3.273 -3.821 -9.257 19 3HE MET 2 HE2 MET 2 -3.726 -2.191 -9.745 20 H PHE 3 HN PHE 3 -2.440 0.862 -6.147 21 HA PHE 3 HA PHE 3 -1.141 1.885 -3.655 22 1HB PHE 3 HB2 PHE 3 -4.073 2.073 -3.802 23 2HB PHE 3 HB1 PHE 3 -2.889 3.302 -3.362 24 HD1 PHE 3 HD1 PHE 3 -4.497 1.583 -6.247 25 HD2 PHE 3 HD2 PHE 3 -2.154 4.938 -4.936 26 HE1 PHE 3 HE1 PHE 3 -4.765 2.641 -8.474 27 HE2 PHE 3 HE2 PHE 3 -2.423 5.995 -7.164 28 HZ PHE 3 HZ PHE 3 -3.729 4.847 -8.932 29 H CYS 4 HN CYS 4 -0.612 -0.328 -3.038 30 HA CYS 4 HA CYS 4 -1.059 -2.482 -2.243 31 1HB CYS 4 HB2 CYS 4 -2.222 -0.476 -0.537 32 2HB CYS 4 HB1 CYS 4 -3.219 -1.940 -0.480 33 H ASN 5 HN ASN 5 -1.840 -3.612 -3.971 34 HA ASN 5 HA ASN 5 -3.396 -4.611 -5.417 35 1HB ASN 5 HB2 ASN 5 -3.518 -6.012 -3.428 36 2HB ASN 5 HB1 ASN 5 -4.697 -4.920 -2.696 37 1HD2 ASN 5 HD22 ASN 5 -6.151 -7.867 -4.853 38 2HD2 ASN 5 HD21 ASN 5 -4.679 -7.868 -3.989 39 H GLN 6 HN GLN 6 -5.893 -3.604 -3.178 40 HA GLN 6 HA GLN 6 -6.777 -1.280 -4.604 41 1HB GLN 6 HB2 GLN 6 -7.263 -2.828 -6.412 42 2HB GLN 6 HB1 GLN 6 -8.117 -3.905 -5.308 43 1HG GLN 6 HG2 GLN 6 -10.014 -2.771 -5.707 44 2HG GLN 6 HG1 GLN 6 -9.275 -1.332 -5.003 45 1HE2 GLN 6 HE22 GLN 6 -8.594 -1.677 -9.042 46 2HE2 GLN 6 HE21 GLN 6 -8.272 -3.002 -8.017 47 H THR 7 HN THR 7 -8.230 -0.239 -3.303 48 HA THR 7 HA THR 7 -9.940 0.043 -1.706 49 HB THR 7 HB THR 7 -10.355 -2.583 -2.495 50 HG1 THR 7 HG1 THR 7 -12.309 -2.133 -1.784 51 1HG2 THR 7 HG23 THR 7 -8.995 -3.349 -0.522 52 2HG2 THR 7 HG22 THR 7 -10.172 -2.564 0.531 53 3HG2 THR 7 HG21 THR 7 -10.667 -3.912 -0.492 54 H ALA 8 HN ALA 8 -7.351 -2.286 -0.914 55 HA ALA 8 HA ALA 8 -5.977 -0.777 0.937 56 1HB ALA 8 HB2 ALA 8 -8.423 -2.028 2.181 57 2HB ALA 8 HB1 ALA 8 -6.979 -1.701 3.139 58 3HB ALA 8 HB3 ALA 8 -7.833 -0.377 2.348 59 H CYS 9 HN CYS 9 -4.164 -1.951 1.334 60 HA CYS 9 HA CYS 9 -4.398 -4.874 1.793 61 1HB CYS 9 HB2 CYS 9 -3.485 -5.463 -0.188 62 2HB CYS 9 HB1 CYS 9 -3.618 -3.785 -0.701 63 HA PRO 10 HA PRO 10 -1.500 -3.989 4.870 64 1HB PRO 10 HB2 PRO 10 0.012 -6.439 4.465 65 2HB PRO 10 HB1 PRO 10 -1.065 -6.013 5.803 66 1HG PRO 10 HG2 PRO 10 -1.599 -7.841 3.660 67 2HG PRO 10 HG1 PRO 10 -2.702 -7.345 4.955 68 1HD PRO 10 HD2 PRO 10 -2.840 -6.645 2.178 69 2HD PRO 10 HD1 PRO 10 -3.905 -6.101 3.491 70 H ALA 11 HN ALA 11 1.282 -5.028 4.763 71 HA ALA 11 HA ALA 11 2.274 -3.784 2.249 72 1HB ALA 11 HB1 ALA 11 2.169 -1.987 3.939 73 2HB ALA 11 HB3 ALA 11 3.189 -2.943 5.015 74 3HB ALA 11 HB2 ALA 11 3.831 -2.347 3.484 75 H ASP 12 HN ASP 12 4.978 -3.761 3.735 76 HA ASP 12 HA ASP 12 6.632 -5.314 4.439 77 1HB ASP 12 HB2 ASP 12 4.501 -6.911 4.814 78 2HB ASP 12 HB1 ASP 12 5.189 -7.689 3.384 79 H CYS 13 HN CYS 13 5.607 -4.342 1.629 80 HA CYS 13 HA CYS 13 6.294 -4.594 -0.623 81 1HB CYS 13 HB2 CYS 13 8.949 -5.057 0.758 82 2HB CYS 13 HB1 CYS 13 8.683 -4.349 -0.839 83 H ASP 14 HN ASP 14 5.520 -6.465 -1.585 84 HA ASP 14 HA ASP 14 6.121 -9.127 -0.893 85 1HB ASP 14 HB2 ASP 14 5.097 -7.744 -3.293 86 2HB ASP 14 HB1 ASP 14 5.862 -9.304 -3.612 87 HA PRO 15 HA PRO 15 10.101 -9.617 -2.621 88 1HB PRO 15 HB2 PRO 15 9.796 -12.186 -3.854 89 2HB PRO 15 HB1 PRO 15 10.382 -11.826 -2.225 90 1HG PRO 15 HG2 PRO 15 7.854 -12.990 -2.970 91 2HG PRO 15 HG1 PRO 15 8.450 -12.635 -1.343 92 1HD PRO 15 HD2 PRO 15 6.403 -11.240 -2.816 93 2HD PRO 15 HD1 PRO 15 6.996 -10.899 -1.181 94 H ASN 16 HN ASN 16 7.559 -9.933 -4.991 95 HA ASN 16 HA ASN 16 9.552 -9.180 -7.082 96 1HB ASN 16 HB2 ASN 16 7.514 -11.381 -7.149 97 2HB ASN 16 HB1 ASN 16 7.947 -10.554 -8.646 98 1HD2 ASN 16 HD22 ASN 16 10.546 -13.191 -6.993 99 2HD2 ASN 16 HD21 ASN 16 9.016 -12.889 -6.300 100 H THR 17 HN THR 17 6.857 -8.229 -5.428 101 HA THR 17 HA THR 17 5.670 -6.891 -7.795 102 HB THR 17 HB THR 17 3.660 -6.768 -6.667 103 HG1 THR 17 HG1 THR 17 3.585 -6.016 -4.712 104 1HG2 THR 17 HG21 THR 17 5.153 -9.031 -5.320 105 2HG2 THR 17 HG23 THR 17 3.410 -8.797 -5.189 106 3HG2 THR 17 HG22 THR 17 4.140 -9.130 -6.759 107 H GLN 18 HN GLN 18 7.862 -6.335 -5.413 108 HA GLN 18 HA GLN 18 8.612 -4.373 -4.276 109 1HB GLN 18 HB2 GLN 18 9.658 -4.479 -6.584 110 2HB GLN 18 HB1 GLN 18 8.423 -3.337 -7.115 111 1HG GLN 18 HG2 GLN 18 9.733 -1.667 -6.365 112 2HG GLN 18 HG1 GLN 18 9.471 -2.266 -4.727 113 1HE2 GLN 18 HE22 GLN 18 12.697 -3.725 -4.455 114 2HE2 GLN 18 HE21 GLN 18 11.153 -3.569 -3.748 115 H ALA 19 HN ALA 19 5.714 -4.531 -4.212 116 HA ALA 19 HA ALA 19 5.148 -1.609 -4.125 117 1HB ALA 19 HB1 ALA 19 4.108 -3.290 -6.084 118 2HB ALA 19 HB3 ALA 19 2.812 -3.179 -4.894 119 3HB ALA 19 HB2 ALA 19 3.466 -1.713 -5.625 120 H SER 20 HN SER 20 2.401 -2.008 -3.370 121 HA SER 20 HA SER 20 1.119 -2.366 -1.455 122 1HB SER 20 HB2 SER 20 1.073 -4.601 -1.118 123 2HB SER 20 HB1 SER 20 2.676 -4.770 -1.827 124 HG SER 20 HG SER 20 3.224 -5.247 0.150 125 H CYS 21 HN CYS 21 3.930 -0.999 -1.526 126 HA CYS 21 HA CYS 21 3.795 0.029 1.178 127 1HB CYS 21 HB2 CYS 21 6.154 -0.563 1.771 128 2HB CYS 21 HB1 CYS 21 5.087 -1.970 1.699 129 H GLU 22 HN GLU 22 6.243 1.418 1.253 130 HA GLU 22 HA GLU 22 7.054 3.445 0.288 131 1HB GLU 22 HB2 GLU 22 7.013 2.384 -2.467 132 2HB GLU 22 HB1 GLU 22 8.377 2.987 -1.526 133 1HG GLU 22 HG2 GLU 22 7.918 0.690 -0.192 134 2HG GLU 22 HG1 GLU 22 7.333 0.214 -1.787 135 H CYS 23 HN CYS 23 4.290 2.844 0.506 136 HA CYS 23 HA CYS 23 2.316 3.060 -1.035 137 1HB CYS 23 HB2 CYS 23 2.995 5.166 0.981 138 2HB CYS 23 HB1 CYS 23 1.469 5.215 0.092 139 HA PRO 24 HA PRO 24 2.364 5.305 -4.718 140 1HB PRO 24 HB2 PRO 24 -0.214 6.378 -3.598 141 2HB PRO 24 HB1 PRO 24 0.112 5.714 -5.212 142 1HG PRO 24 HG2 PRO 24 -1.148 4.287 -3.246 143 2HG PRO 24 HG1 PRO 24 -0.171 3.524 -4.513 144 1HD PRO 24 HD2 PRO 24 0.419 3.766 -1.649 145 2HD PRO 24 HD1 PRO 24 1.232 2.773 -2.878 146 H GLU 25 HN GLU 25 2.383 7.621 -5.401 147 HA GLU 25 HA GLU 25 3.763 9.265 -3.509 148 1HB GLU 25 HB2 GLU 25 2.928 9.461 -6.309 149 2HB GLU 25 HB1 GLU 25 2.904 11.012 -5.467 150 1HG GLU 25 HG2 GLU 25 5.140 11.127 -5.635 151 2HG GLU 25 HG1 GLU 25 5.277 9.651 -4.679 152 H GLY 26 HN GLY 26 0.578 8.542 -3.659 153 1HA GLY 26 HA2 GLY 26 -0.110 10.983 -2.118 154 2HA GLY 26 HA1 GLY 26 -1.192 10.428 -3.403 155 H TYR 27 HN TYR 27 0.370 7.827 -1.861 156 HA TYR 27 HA TYR 27 -2.160 7.206 -0.463 157 1HB TYR 27 HB2 TYR 27 -0.243 5.625 -1.865 158 2HB TYR 27 HB1 TYR 27 -0.367 5.031 -0.206 159 HD1 TYR 27 HD2 TYR 27 -2.945 6.674 -2.374 160 HD2 TYR 27 HD1 TYR 27 -1.723 3.109 -0.316 161 HE1 TYR 27 HE2 TYR 27 -5.125 5.618 -2.904 162 HE2 TYR 27 HE1 TYR 27 -3.900 2.054 -0.845 163 HH TYR 27 HH TYR 27 -6.457 3.862 -2.534 164 H ILE 28 HN ILE 28 1.352 7.018 0.183 165 HA ILE 28 HA ILE 28 2.558 7.190 2.181 166 HB ILE 28 HB ILE 28 0.146 8.920 2.709 167 1HG1 ILE 28 HG12 ILE 28 1.947 10.669 2.720 168 2HG1 ILE 28 HG11 ILE 28 3.120 9.399 2.350 169 1HG2 ILE 28 HG23 ILE 28 2.451 8.369 4.607 170 2HG2 ILE 28 HG22 ILE 28 1.274 9.667 4.803 171 3HG2 ILE 28 HG21 ILE 28 0.754 7.984 4.894 172 1HD1 ILE 28 HD12 ILE 28 0.676 9.787 0.629 173 2HD1 ILE 28 HD11 ILE 28 2.127 10.755 0.368 174 3HD1 ILE 28 HD13 ILE 28 2.200 9.000 0.220 175 H LEU 29 HN LEU 29 2.864 5.590 3.665 176 HA LEU 29 HA LEU 29 0.968 3.594 4.254 177 1HB LEU 29 HB2 LEU 29 3.600 4.391 5.289 178 2HB LEU 29 HB1 LEU 29 2.576 3.622 6.508 179 HG LEU 29 HG LEU 29 3.047 2.480 3.748 180 1HD1 LEU 29 HD12 LEU 29 4.739 2.457 6.114 181 2HD1 LEU 29 HD11 LEU 29 4.226 0.823 5.692 182 3HD1 LEU 29 HD13 LEU 29 5.075 1.815 4.506 183 1HD2 LEU 29 HD22 LEU 29 1.872 1.336 6.298 184 2HD2 LEU 29 HD21 LEU 29 0.973 1.745 4.838 185 3HD2 LEU 29 HD23 LEU 29 2.139 0.423 4.812 186 H ASP 30 HN ASP 30 0.764 3.295 6.983 187 HA ASP 30 HA ASP 30 -0.232 5.724 8.248 188 1HB ASP 30 HB2 ASP 30 -2.021 4.639 6.515 189 2HB ASP 30 HB1 ASP 30 -2.409 3.726 7.974 190 H ASP 31 HN ASP 31 -1.720 4.808 10.259 191 HA ASP 31 HA ASP 31 0.102 3.372 11.921 192 1HB ASP 31 HB2 ASP 31 -2.049 3.043 13.353 193 2HB ASP 31 HB1 ASP 31 -1.473 4.687 13.077 194 H GLY 32 HN GLY 32 0.704 1.339 11.210 195 1HA GLY 32 HA2 GLY 32 -0.294 -1.022 11.703 196 2HA GLY 32 HA1 GLY 32 -1.466 -0.565 10.466 197 H PHE 33 HN PHE 33 1.150 0.956 9.411 198 HA PHE 33 HA PHE 33 2.756 0.519 7.776 199 1HB PHE 33 HB2 PHE 33 2.583 -2.324 8.814 200 2HB PHE 33 HB1 PHE 33 3.846 -1.678 7.760 201 HD1 PHE 33 HD2 PHE 33 4.683 0.788 8.730 202 HD2 PHE 33 HD1 PHE 33 3.269 -2.550 11.030 203 HE1 PHE 33 HE2 PHE 33 5.921 1.627 10.706 204 HE2 PHE 33 HE1 PHE 33 4.506 -1.712 13.007 205 HZ PHE 33 HZ PHE 33 5.833 0.376 12.848 206 H ILE 34 HN ILE 34 -0.340 -0.302 7.632 207 HA ILE 34 HA ILE 34 -0.176 -1.958 5.181 208 HB ILE 34 HB ILE 34 -2.540 -0.869 6.736 209 1HG1 ILE 34 HG12 ILE 34 -2.432 -2.821 7.867 210 2HG1 ILE 34 HG11 ILE 34 -2.646 -3.694 6.351 211 1HG2 ILE 34 HG22 ILE 34 -2.566 -1.217 4.031 212 2HG2 ILE 34 HG21 ILE 34 -2.976 -2.845 4.558 213 3HG2 ILE 34 HG23 ILE 34 -3.976 -1.481 5.051 214 1HD1 ILE 34 HD12 ILE 34 -0.175 -3.606 5.987 215 2HD1 ILE 34 HD11 ILE 34 -0.001 -2.806 7.544 216 3HD1 ILE 34 HD13 ILE 34 -0.606 -4.458 7.467 217 H CYS 35 HN CYS 35 0.248 -0.876 3.354 218 HA CYS 35 HA CYS 35 0.266 1.888 3.044 219 1HB CYS 35 HB2 CYS 35 1.125 0.121 1.408 220 2HB CYS 35 HB1 CYS 35 -0.525 0.034 0.788 221 H THR 36 HN THR 36 -2.257 0.231 1.167 222 HA THR 36 HA THR 36 -4.433 1.024 0.695 223 HB THR 36 HB THR 36 -4.565 -0.323 2.843 224 HG1 THR 36 HG1 THR 36 -6.345 0.923 1.621 225 1HG2 THR 36 HG21 THR 36 -4.432 2.471 3.983 226 2HG2 THR 36 HG23 THR 36 -5.107 1.109 4.877 227 3HG2 THR 36 HG22 THR 36 -3.415 1.086 4.381 228 H ASP 37 HN ASP 37 -6.099 2.847 2.010 229 HA ASP 37 HA ASP 37 -4.572 5.328 2.442 230 1HB ASP 37 HB2 ASP 37 -4.748 5.174 -0.028 231 2HB ASP 37 HB1 ASP 37 -6.504 5.093 0.119 232 H ILE 38 HN ILE 38 -7.706 3.692 2.251 233 HA ILE 38 HA ILE 38 -9.028 5.919 3.620 234 HB ILE 38 HB ILE 38 -10.506 4.983 2.079 235 1HG1 ILE 38 HG12 ILE 38 -11.328 2.961 4.039 236 2HG1 ILE 38 HG11 ILE 38 -11.073 4.566 4.720 237 1HG2 ILE 38 HG23 ILE 38 -9.102 2.412 2.737 238 2HG2 ILE 38 HG22 ILE 38 -10.708 2.359 2.010 239 3HG2 ILE 38 HG21 ILE 38 -9.383 3.158 1.164 240 1HD1 ILE 38 HD13 ILE 38 -12.691 4.168 2.206 241 2HD1 ILE 38 HD12 ILE 38 -13.431 4.049 3.803 242 3HD1 ILE 38 HD11 ILE 38 -12.680 5.560 3.289 243 H ASP 39 HN ASP 39 -9.179 6.016 5.806 244 HA ASP 39 HA ASP 39 -8.217 3.708 7.394 245 1HB ASP 39 HB2 ASP 39 -8.354 5.357 9.300 246 2HB ASP 39 HB1 ASP 39 -7.270 5.858 7.997 247 H GLU 40 HN GLU 40 -10.757 3.385 6.118 248 HA GLU 40 HA GLU 40 -13.018 2.914 6.599 249 1HB GLU 40 HB2 GLU 40 -11.837 2.203 9.299 250 2HB GLU 40 HB1 GLU 40 -13.307 1.547 8.579 251 1HG GLU 40 HG2 GLU 40 -10.540 1.255 7.379 252 2HG GLU 40 HG1 GLU 40 -11.341 0.016 8.347 No H/Q in entry = 252 Start of MODEL 10 1 1H GLN 1 HT2 GLN 1 5.192 1.662 -9.924 2 2H GLN 1 HT1 GLN 1 5.834 3.235 -9.885 3 3H GLN 1 HT3 GLN 1 6.366 2.076 -8.767 4 HA GLN 1 HA GLN 1 4.860 2.865 -7.358 5 1HB GLN 1 HB2 GLN 1 3.249 4.568 -8.016 6 2HB GLN 1 HB1 GLN 1 4.790 4.913 -8.803 7 1HG GLN 1 HG2 GLN 1 3.385 3.152 -10.522 8 2HG GLN 1 HG1 GLN 1 2.232 4.389 -10.018 9 1HE2 GLN 1 HE22 GLN 1 4.359 7.070 -11.366 10 2HE2 GLN 1 HE21 GLN 1 3.531 6.722 -9.926 11 H MET 2 HN MET 2 2.425 2.628 -6.847 12 HA MET 2 HA MET 2 0.867 0.888 -8.573 13 1HB MET 2 HB2 MET 2 2.750 -0.399 -6.963 14 2HB MET 2 HB1 MET 2 1.239 -0.571 -6.074 15 1HG MET 2 HG2 MET 2 0.824 -1.003 -8.917 16 2HG MET 2 HG1 MET 2 2.062 -2.090 -8.289 17 1HE MET 2 HE1 MET 2 -0.759 -2.159 -9.534 18 2HE MET 2 HE3 MET 2 -0.626 -3.878 -9.137 19 3HE MET 2 HE2 MET 2 -2.016 -2.947 -8.584 20 H PHE 3 HN PHE 3 -0.544 -0.282 -6.215 21 HA PHE 3 HA PHE 3 -1.459 1.786 -4.444 22 1HB PHE 3 HB2 PHE 3 -2.378 2.867 -6.399 23 2HB PHE 3 HB1 PHE 3 -3.016 1.347 -7.012 24 HD1 PHE 3 HD2 PHE 3 -3.206 1.938 -3.420 25 HD2 PHE 3 HD1 PHE 3 -5.270 2.417 -7.157 26 HE1 PHE 3 HE2 PHE 3 -5.333 2.318 -2.199 27 HE2 PHE 3 HE1 PHE 3 -7.393 2.798 -5.935 28 HZ PHE 3 HZ PHE 3 -7.424 2.748 -3.457 29 H CYS 4 HN CYS 4 -1.414 -0.156 -3.005 30 HA CYS 4 HA CYS 4 -2.307 -2.676 -3.200 31 1HB CYS 4 HB2 CYS 4 -3.133 -0.672 -1.095 32 2HB CYS 4 HB1 CYS 4 -3.590 -2.372 -0.989 33 H ASN 5 HN ASN 5 -3.891 -3.417 -4.588 34 HA ASN 5 HA ASN 5 -6.350 -1.947 -5.033 35 1HB ASN 5 HB2 ASN 5 -5.002 -3.670 -6.564 36 2HB ASN 5 HB1 ASN 5 -6.088 -4.829 -5.790 37 1HD2 ASN 5 HD22 ASN 5 -7.625 -2.050 -8.391 38 2HD2 ASN 5 HD21 ASN 5 -6.043 -1.856 -7.782 39 H GLN 6 HN GLN 6 -7.805 -4.675 -5.069 40 HA GLN 6 HA GLN 6 -9.506 -5.506 -3.647 41 1HB GLN 6 HB2 GLN 6 -7.467 -6.915 -3.205 42 2HB GLN 6 HB1 GLN 6 -7.106 -5.867 -1.832 43 1HG GLN 6 HG2 GLN 6 -8.476 -7.145 -0.584 44 2HG GLN 6 HG1 GLN 6 -9.823 -6.553 -1.557 45 1HE2 GLN 6 HE22 GLN 6 -8.172 -10.197 -2.557 46 2HE2 GLN 6 HE21 GLN 6 -7.193 -9.024 -1.798 47 H THR 7 HN THR 7 -9.163 -2.642 -3.423 48 HA THR 7 HA THR 7 -10.221 -1.024 -2.048 49 HB THR 7 HB THR 7 -10.098 -2.901 0.303 50 HG1 THR 7 HG1 THR 7 -12.194 -2.861 -1.588 51 1HG2 THR 7 HG21 THR 7 -11.712 -0.536 -0.587 52 2HG2 THR 7 HG23 THR 7 -12.431 -1.696 0.530 53 3HG2 THR 7 HG22 THR 7 -10.952 -0.845 0.974 54 H ALA 8 HN ALA 8 -7.687 -3.044 -0.576 55 HA ALA 8 HA ALA 8 -5.780 -0.960 -0.411 56 1HB ALA 8 HB2 ALA 8 -7.502 -1.341 2.040 57 2HB ALA 8 HB1 ALA 8 -5.847 -0.747 2.163 58 3HB ALA 8 HB3 ALA 8 -7.045 0.163 1.244 59 H CYS 9 HN CYS 9 -3.910 -1.679 1.123 60 HA CYS 9 HA CYS 9 -3.969 -4.442 2.008 61 1HB CYS 9 HB2 CYS 9 -3.026 -5.541 0.263 62 2HB CYS 9 HB1 CYS 9 -3.626 -4.191 -0.691 63 HA PRO 10 HA PRO 10 -0.831 -3.163 4.664 64 1HB PRO 10 HB2 PRO 10 0.825 -5.487 4.289 65 2HB PRO 10 HB1 PRO 10 -0.232 -5.100 5.654 66 1HG PRO 10 HG2 PRO 10 -0.668 -7.056 3.588 67 2HG PRO 10 HG1 PRO 10 -1.720 -6.665 4.958 68 1HD PRO 10 HD2 PRO 10 -2.164 -6.059 2.191 69 2HD PRO 10 HD1 PRO 10 -3.173 -5.597 3.577 70 H ALA 11 HN ALA 11 1.893 -3.791 4.545 71 HA ALA 11 HA ALA 11 2.843 -3.000 1.860 72 1HB ALA 11 HB3 ALA 11 2.291 -0.889 3.148 73 2HB ALA 11 HB2 ALA 11 3.545 -1.348 4.298 74 3HB ALA 11 HB1 ALA 11 3.969 -1.012 2.620 75 H ASP 12 HN ASP 12 4.138 -4.842 1.706 76 HA ASP 12 HA ASP 12 6.319 -5.040 3.735 77 1HB ASP 12 HB2 ASP 12 4.403 -7.100 2.829 78 2HB ASP 12 HB1 ASP 12 6.094 -7.615 2.832 79 H CYS 13 HN CYS 13 5.885 -3.956 0.881 80 HA CYS 13 HA CYS 13 7.002 -4.018 -1.205 81 1HB CYS 13 HB2 CYS 13 9.423 -4.536 0.525 82 2HB CYS 13 HB1 CYS 13 9.317 -3.570 -0.951 83 H ASP 14 HN ASP 14 5.873 -6.474 -0.923 84 HA ASP 14 HA ASP 14 7.445 -8.765 -0.754 85 1HB ASP 14 HB2 ASP 14 4.937 -8.030 -2.043 86 2HB ASP 14 HB1 ASP 14 5.815 -9.248 -2.975 87 HA PRO 15 HA PRO 15 10.411 -8.086 -3.914 88 1HB PRO 15 HB2 PRO 15 11.094 -10.873 -4.048 89 2HB PRO 15 HB1 PRO 15 11.992 -9.570 -3.257 90 1HG PRO 15 HG2 PRO 15 10.478 -11.678 -2.006 91 2HG PRO 15 HG1 PRO 15 11.382 -10.376 -1.222 92 1HD PRO 15 HD2 PRO 15 8.526 -10.661 -1.427 93 2HD PRO 15 HD1 PRO 15 9.437 -9.354 -0.649 94 H ASN 16 HN ASN 16 7.956 -10.610 -4.093 95 HA ASN 16 HA ASN 16 8.311 -10.921 -7.003 96 1HB ASN 16 HB2 ASN 16 6.602 -12.204 -4.901 97 2HB ASN 16 HB1 ASN 16 6.100 -12.314 -6.588 98 1HD2 ASN 16 HD22 ASN 16 9.065 -14.689 -5.285 99 2HD2 ASN 16 HD21 ASN 16 8.085 -13.767 -4.236 100 H THR 17 HN THR 17 6.838 -8.669 -5.038 101 HA THR 17 HA THR 17 5.377 -7.510 -7.254 102 HB THR 17 HB THR 17 3.813 -9.335 -6.485 103 HG1 THR 17 HG1 THR 17 3.132 -6.607 -6.274 104 1HG2 THR 17 HG21 THR 17 4.518 -8.305 -3.940 105 2HG2 THR 17 HG23 THR 17 2.804 -7.965 -4.172 106 3HG2 THR 17 HG22 THR 17 3.401 -9.620 -4.298 107 H GLN 18 HN GLN 18 7.067 -5.973 -6.354 108 HA GLN 18 HA GLN 18 7.188 -4.775 -3.885 109 1HB GLN 18 HB2 GLN 18 8.577 -3.988 -5.716 110 2HB GLN 18 HB1 GLN 18 7.164 -3.373 -6.574 111 1HG GLN 18 HG2 GLN 18 7.078 -1.487 -5.318 112 2HG GLN 18 HG1 GLN 18 7.395 -2.366 -3.822 113 1HE2 GLN 18 HE22 GLN 18 10.511 -0.606 -3.954 114 2HE2 GLN 18 HE21 GLN 18 8.959 -0.612 -3.247 115 H ALA 19 HN ALA 19 5.519 -2.621 -6.077 116 HA ALA 19 HA ALA 19 3.689 -1.203 -5.559 117 1HB ALA 19 HB3 ALA 19 2.548 -3.990 -5.183 118 2HB ALA 19 HB2 ALA 19 1.587 -2.530 -5.406 119 3HB ALA 19 HB1 ALA 19 2.636 -3.099 -6.702 120 H SER 20 HN SER 20 1.502 -1.864 -3.713 121 HA SER 20 HA SER 20 1.063 -1.380 -1.443 122 1HB SER 20 HB2 SER 20 3.303 -3.417 -1.346 123 2HB SER 20 HB1 SER 20 2.416 -2.901 0.084 124 HG SER 20 HG SER 20 1.692 -4.831 -1.283 125 H CYS 21 HN CYS 21 3.876 -1.800 0.185 126 HA CYS 21 HA CYS 21 4.339 0.790 0.997 127 1HB CYS 21 HB2 CYS 21 6.582 0.171 1.579 128 2HB CYS 21 HB1 CYS 21 5.603 -1.292 1.738 129 H GLU 22 HN GLU 22 5.873 2.516 0.214 130 HA GLU 22 HA GLU 22 6.590 3.915 -1.561 131 1HB GLU 22 HB2 GLU 22 6.919 1.656 -3.468 132 2HB GLU 22 HB1 GLU 22 8.049 2.945 -3.058 133 1HG GLU 22 HG2 GLU 22 7.950 1.551 -0.704 134 2HG GLU 22 HG1 GLU 22 7.759 0.257 -1.887 135 H CYS 23 HN CYS 23 3.912 2.742 -1.126 136 HA CYS 23 HA CYS 23 2.473 2.236 -3.531 137 1HB CYS 23 HB2 CYS 23 2.101 2.254 -0.771 138 2HB CYS 23 HB1 CYS 23 0.951 3.441 -1.369 139 HA PRO 24 HA PRO 24 1.102 5.516 -6.059 140 1HB PRO 24 HB2 PRO 24 -0.701 6.392 -3.840 141 2HB PRO 24 HB1 PRO 24 -1.061 6.166 -5.563 142 1HG PRO 24 HG2 PRO 24 -1.835 4.368 -3.700 143 2HG PRO 24 HG1 PRO 24 -1.356 3.875 -5.333 144 1HD PRO 24 HD2 PRO 24 0.069 3.598 -2.793 145 2HD PRO 24 HD1 PRO 24 0.194 2.595 -4.248 146 H GLU 25 HN GLU 25 2.559 7.150 -6.289 147 HA GLU 25 HA GLU 25 4.083 8.413 -4.343 148 1HB GLU 25 HB2 GLU 25 3.564 8.848 -7.068 149 2HB GLU 25 HB1 GLU 25 3.175 10.380 -6.283 150 1HG GLU 25 HG2 GLU 25 5.396 10.797 -6.304 151 2HG GLU 25 HG1 GLU 25 5.522 9.590 -5.024 152 H GLY 26 HN GLY 26 3.001 8.881 -2.434 153 1HA GLY 26 HA2 GLY 26 2.042 10.852 -1.257 154 2HA GLY 26 HA1 GLY 26 0.912 11.015 -2.610 155 H TYR 27 HN TYR 27 1.756 7.860 -1.468 156 HA TYR 27 HA TYR 27 -0.980 7.579 -0.316 157 1HB TYR 27 HB2 TYR 27 0.302 6.044 -2.295 158 2HB TYR 27 HB1 TYR 27 0.348 5.064 -0.828 159 HD1 TYR 27 HD2 TYR 27 -2.190 7.601 -1.845 160 HD2 TYR 27 HD1 TYR 27 -1.349 3.446 -1.165 161 HE1 TYR 27 HE2 TYR 27 -4.597 7.071 -2.111 162 HE2 TYR 27 HE1 TYR 27 -3.754 2.916 -1.429 163 HH TYR 27 HH TYR 27 -5.924 4.068 -1.224 164 H ILE 28 HN ILE 28 2.336 6.339 -0.081 165 HA ILE 28 HA ILE 28 3.565 5.492 1.711 166 HB ILE 28 HB ILE 28 3.772 7.003 3.558 167 1HG1 ILE 28 HG12 ILE 28 1.225 8.400 2.727 168 2HG1 ILE 28 HG11 ILE 28 1.202 7.070 3.890 169 1HG2 ILE 28 HG22 ILE 28 4.239 7.785 1.096 170 2HG2 ILE 28 HG21 ILE 28 2.865 8.855 1.374 171 3HG2 ILE 28 HG23 ILE 28 4.291 8.964 2.406 172 1HD1 ILE 28 HD13 ILE 28 2.936 9.539 4.181 173 2HD1 ILE 28 HD12 ILE 28 1.366 9.339 4.959 174 3HD1 ILE 28 HD11 ILE 28 2.700 8.263 5.375 175 H LEU 29 HN LEU 29 3.401 4.774 4.102 176 HA LEU 29 HA LEU 29 1.160 2.934 4.271 177 1HB LEU 29 HB2 LEU 29 3.694 3.415 5.728 178 2HB LEU 29 HB1 LEU 29 2.385 2.710 6.685 179 HG LEU 29 HG LEU 29 3.364 1.676 4.028 180 1HD1 LEU 29 HD11 LEU 29 4.794 1.388 6.215 181 2HD1 LEU 29 HD13 LEU 29 3.554 0.208 6.643 182 3HD1 LEU 29 HD12 LEU 29 4.514 -0.011 5.179 183 1HD2 LEU 29 HD23 LEU 29 1.099 0.990 5.842 184 2HD2 LEU 29 HD22 LEU 29 1.164 0.971 4.079 185 3HD2 LEU 29 HD21 LEU 29 1.915 -0.330 5.004 186 H ASP 30 HN ASP 30 0.557 2.816 6.910 187 HA ASP 30 HA ASP 30 -0.076 5.321 8.155 188 1HB ASP 30 HB2 ASP 30 -1.882 4.418 6.048 189 2HB ASP 30 HB1 ASP 30 -2.711 4.589 7.596 190 H ASP 31 HN ASP 31 -1.833 4.929 9.917 191 HA ASP 31 HA ASP 31 -1.105 2.911 11.657 192 1HB ASP 31 HB2 ASP 31 -3.422 4.645 11.345 193 2HB ASP 31 HB1 ASP 31 -3.877 3.081 12.021 194 H GLY 32 HN GLY 32 -0.748 0.865 10.787 195 1HA GLY 32 HA2 GLY 32 -2.160 -1.277 10.742 196 2HA GLY 32 HA1 GLY 32 -3.099 -0.455 9.497 197 H PHE 33 HN PHE 33 0.138 0.403 9.232 198 HA PHE 33 HA PHE 33 1.652 -0.060 7.498 199 1HB PHE 33 HB2 PHE 33 1.225 -2.420 9.064 200 2HB PHE 33 HB1 PHE 33 1.416 -2.899 7.374 201 HD1 PHE 33 HD1 PHE 33 2.901 -0.184 9.507 202 HD2 PHE 33 HD2 PHE 33 3.603 -3.534 6.912 203 HE1 PHE 33 HE1 PHE 33 5.345 0.202 9.671 204 HE2 PHE 33 HE2 PHE 33 6.047 -3.149 7.076 205 HZ PHE 33 HZ PHE 33 6.919 -1.282 8.456 206 H ILE 34 HN ILE 34 -1.258 0.232 6.848 207 HA ILE 34 HA ILE 34 -1.404 -1.476 4.413 208 HB ILE 34 HB ILE 34 -3.590 0.318 5.487 209 1HG1 ILE 34 HG12 ILE 34 -3.086 -1.234 7.263 210 2HG1 ILE 34 HG11 ILE 34 -4.505 -1.866 6.418 211 1HG2 ILE 34 HG22 ILE 34 -3.441 -0.788 3.069 212 2HG2 ILE 34 HG21 ILE 34 -3.974 -2.223 3.944 213 3HG2 ILE 34 HG23 ILE 34 -4.966 -0.765 3.956 214 1HD1 ILE 34 HD12 ILE 34 -2.761 -3.143 4.955 215 2HD1 ILE 34 HD11 ILE 34 -1.654 -2.825 6.289 216 3HD1 ILE 34 HD13 ILE 34 -3.124 -3.759 6.567 217 H CYS 35 HN CYS 35 -0.425 -0.539 2.752 218 HA CYS 35 HA CYS 35 0.350 2.118 2.483 219 1HB CYS 35 HB2 CYS 35 1.145 1.430 0.489 220 2HB CYS 35 HB1 CYS 35 0.468 -0.144 0.874 221 H THR 36 HN THR 36 -2.832 0.776 1.979 222 HA THR 36 HA THR 36 -4.014 2.831 0.447 223 HB THR 36 HB THR 36 -4.992 0.607 1.227 224 HG1 THR 36 HG1 THR 36 -7.122 2.000 1.569 225 1HG2 THR 36 HG21 THR 36 -4.620 1.074 3.657 226 2HG2 THR 36 HG23 THR 36 -5.848 2.335 3.562 227 3HG2 THR 36 HG22 THR 36 -6.291 0.653 3.284 228 H ASP 37 HN ASP 37 -6.093 3.846 2.118 229 HA ASP 37 HA ASP 37 -4.930 5.218 4.404 230 1HB ASP 37 HB2 ASP 37 -4.692 6.420 1.784 231 2HB ASP 37 HB1 ASP 37 -5.720 7.413 2.818 232 H ILE 38 HN ILE 38 -7.359 3.658 3.469 233 HA ILE 38 HA ILE 38 -9.388 5.601 4.488 234 HB ILE 38 HB ILE 38 -11.033 4.296 3.005 235 1HG1 ILE 38 HG12 ILE 38 -8.515 3.606 1.475 236 2HG1 ILE 38 HG11 ILE 38 -9.264 2.470 2.604 237 1HG2 ILE 38 HG21 ILE 38 -8.891 6.161 2.006 238 2HG2 ILE 38 HG23 ILE 38 -10.122 5.550 0.901 239 3HG2 ILE 38 HG22 ILE 38 -10.595 6.496 2.312 240 1HD1 ILE 38 HD13 ILE 38 -10.751 3.782 0.313 241 2HD1 ILE 38 HD12 ILE 38 -10.007 2.187 0.207 242 3HD1 ILE 38 HD11 ILE 38 -11.324 2.472 1.345 243 H ASP 39 HN ASP 39 -7.781 3.536 5.869 244 HA ASP 39 HA ASP 39 -9.509 1.255 6.363 245 1HB ASP 39 HB2 ASP 39 -7.008 1.262 6.692 246 2HB ASP 39 HB1 ASP 39 -7.256 2.298 8.102 247 H GLU 40 HN GLU 40 -8.446 3.830 8.620 248 HA GLU 40 HA GLU 40 -9.636 4.920 10.325 249 1HB GLU 40 HB2 GLU 40 -11.295 5.102 8.282 250 2HB GLU 40 HB1 GLU 40 -12.223 3.907 9.188 251 1HG GLU 40 HG2 GLU 40 -12.026 5.444 11.203 252 2HG GLU 40 HG1 GLU 40 -11.387 6.667 10.104 No H/Q in entry = 252 Start of MODEL 11 1 1H GLN 1 HT2 GLN 1 2.987 -0.312 -10.882 2 2H GLN 1 HT1 GLN 1 2.903 1.365 -11.142 3 3H GLN 1 HT3 GLN 1 4.364 0.656 -10.654 4 HA GLN 1 HA GLN 1 3.451 0.083 -8.521 5 1HB GLN 1 HB2 GLN 1 3.230 2.315 -7.619 6 2HB GLN 1 HB1 GLN 1 4.407 2.383 -8.930 7 1HG GLN 1 HG2 GLN 1 1.740 2.767 -9.976 8 2HG GLN 1 HG1 GLN 1 2.054 3.919 -8.677 9 1HE2 GLN 1 HE22 GLN 1 3.571 4.798 -12.192 10 2HE2 GLN 1 HE21 GLN 1 2.174 3.879 -11.900 11 H MET 2 HN MET 2 1.614 0.011 -7.113 12 HA MET 2 HA MET 2 -1.010 0.825 -8.164 13 1HB MET 2 HB2 MET 2 -0.612 -2.081 -7.437 14 2HB MET 2 HB1 MET 2 -1.984 -1.338 -8.259 15 1HG MET 2 HG2 MET 2 -0.509 -0.804 -10.189 16 2HG MET 2 HG1 MET 2 0.821 -1.628 -9.375 17 1HE MET 2 HE2 MET 2 -2.138 -1.447 -11.171 18 2HE MET 2 HE1 MET 2 -1.831 -2.774 -12.287 19 3HE MET 2 HE3 MET 2 -3.056 -2.943 -11.022 20 H PHE 3 HN PHE 3 -1.742 1.883 -6.392 21 HA PHE 3 HA PHE 3 -0.977 1.795 -3.759 22 1HB PHE 3 HB2 PHE 3 -3.669 2.018 -3.377 23 2HB PHE 3 HB1 PHE 3 -2.653 3.341 -3.928 24 HD1 PHE 3 HD2 PHE 3 -4.962 0.658 -5.027 25 HD2 PHE 3 HD1 PHE 3 -2.780 4.175 -6.179 26 HE1 PHE 3 HE2 PHE 3 -6.227 0.746 -7.159 27 HE2 PHE 3 HE1 PHE 3 -4.044 4.263 -8.310 28 HZ PHE 3 HZ PHE 3 -5.768 2.548 -8.800 29 H CYS 4 HN CYS 4 -0.384 -0.451 -3.135 30 HA CYS 4 HA CYS 4 -0.825 -2.705 -2.580 31 1HB CYS 4 HB2 CYS 4 -2.019 -0.852 -0.791 32 2HB CYS 4 HB1 CYS 4 -3.167 -2.186 -0.976 33 H ASN 5 HN ASN 5 -1.477 -3.684 -4.476 34 HA ASN 5 HA ASN 5 -3.602 -3.603 -6.094 35 1HB ASN 5 HB2 ASN 5 -1.960 -5.380 -6.283 36 2HB ASN 5 HB1 ASN 5 -2.570 -6.145 -4.812 37 1HD2 ASN 5 HD21 ASN 5 -2.653 -6.616 -8.039 38 2HD2 ASN 5 HD22 ASN 5 -4.223 -7.258 -8.222 39 H GLN 6 HN GLN 6 -4.084 -6.142 -3.673 40 HA GLN 6 HA GLN 6 -6.831 -6.279 -3.763 41 1HB GLN 6 HB2 GLN 6 -5.056 -7.526 -2.240 42 2HB GLN 6 HB1 GLN 6 -5.589 -6.349 -1.039 43 1HG GLN 6 HG2 GLN 6 -7.625 -7.327 -0.806 44 2HG GLN 6 HG1 GLN 6 -7.787 -7.610 -2.540 45 1HE2 GLN 6 HE22 GLN 6 -7.453 -11.001 -1.219 46 2HE2 GLN 6 HE21 GLN 6 -8.632 -9.778 -1.372 47 H THR 7 HN THR 7 -8.448 -5.503 -2.042 48 HA THR 7 HA THR 7 -9.052 -2.850 -2.157 49 HB THR 7 HB THR 7 -9.296 -4.613 0.299 50 HG1 THR 7 HG1 THR 7 -11.193 -3.861 -1.664 51 1HG2 THR 7 HG22 THR 7 -10.672 -1.994 -0.360 52 2HG2 THR 7 HG21 THR 7 -11.038 -3.023 1.024 53 3HG2 THR 7 HG23 THR 7 -9.466 -2.231 0.905 54 H ALA 8 HN ALA 8 -6.783 -4.279 0.176 55 HA ALA 8 HA ALA 8 -5.008 -2.107 0.136 56 1HB ALA 8 HB2 ALA 8 -6.902 -0.861 1.188 57 2HB ALA 8 HB1 ALA 8 -6.821 -1.964 2.554 58 3HB ALA 8 HB3 ALA 8 -5.455 -0.914 2.192 59 H CYS 9 HN CYS 9 -3.392 -3.453 0.358 60 HA CYS 9 HA CYS 9 -3.329 -5.403 2.603 61 1HB CYS 9 HB2 CYS 9 -1.076 -6.018 1.400 62 2HB CYS 9 HB1 CYS 9 -2.606 -6.554 0.709 63 HA PRO 10 HA PRO 10 -0.505 -3.225 4.989 64 1HB PRO 10 HB2 PRO 10 1.564 -5.254 5.053 65 2HB PRO 10 HB1 PRO 10 0.441 -4.778 6.335 66 1HG PRO 10 HG2 PRO 10 0.346 -7.156 4.747 67 2HG PRO 10 HG1 PRO 10 -0.826 -6.624 5.963 68 1HD PRO 10 HD2 PRO 10 -1.175 -6.718 3.121 69 2HD PRO 10 HD1 PRO 10 -2.325 -6.132 4.340 70 H ALA 11 HN ALA 11 2.235 -3.210 5.084 71 HA ALA 11 HA ALA 11 2.963 -2.367 2.309 72 1HB ALA 11 HB1 ALA 11 2.745 -0.755 4.577 73 2HB ALA 11 HB3 ALA 11 4.478 -1.029 4.404 74 3HB ALA 11 HB2 ALA 11 3.557 -0.332 3.070 75 H ASP 12 HN ASP 12 3.513 -4.916 2.854 76 HA ASP 12 HA ASP 12 6.333 -5.017 3.819 77 1HB ASP 12 HB2 ASP 12 4.311 -6.632 4.545 78 2HB ASP 12 HB1 ASP 12 4.835 -7.496 3.095 79 H CYS 13 HN CYS 13 6.435 -3.800 1.544 80 HA CYS 13 HA CYS 13 6.126 -4.856 -0.942 81 1HB CYS 13 HB2 CYS 13 8.645 -3.549 0.121 82 2HB CYS 13 HB1 CYS 13 8.281 -3.773 -1.594 83 H ASP 14 HN ASP 14 6.363 -6.932 -1.555 84 HA ASP 14 HA ASP 14 8.467 -8.633 -0.424 85 1HB ASP 14 HB2 ASP 14 5.952 -9.015 -1.724 86 2HB ASP 14 HB1 ASP 14 7.186 -9.841 -2.683 87 HA PRO 15 HA PRO 15 11.031 -8.368 -3.979 88 1HB PRO 15 HB2 PRO 15 11.114 -11.091 -4.913 89 2HB PRO 15 HB1 PRO 15 12.267 -10.264 -3.857 90 1HG PRO 15 HG2 PRO 15 10.372 -12.290 -3.123 91 2HG PRO 15 HG1 PRO 15 11.489 -11.421 -2.063 92 1HD PRO 15 HD2 PRO 15 8.627 -11.119 -2.253 93 2HD PRO 15 HD1 PRO 15 9.745 -10.277 -1.165 94 H ASN 16 HN ASN 16 8.492 -10.688 -4.980 95 HA ASN 16 HA ASN 16 8.615 -9.615 -7.737 96 1HB ASN 16 HB2 ASN 16 6.748 -11.756 -6.701 97 2HB ASN 16 HB1 ASN 16 7.266 -11.478 -8.364 98 1HD2 ASN 16 HD22 ASN 16 9.610 -13.672 -5.863 99 2HD2 ASN 16 HD21 ASN 16 8.158 -12.965 -5.313 100 H THR 17 HN THR 17 7.679 -7.861 -5.643 101 HA THR 17 HA THR 17 5.292 -6.859 -6.862 102 HB THR 17 HB THR 17 4.248 -8.815 -5.780 103 HG1 THR 17 HG1 THR 17 2.637 -7.577 -5.299 104 1HG2 THR 17 HG21 THR 17 6.037 -8.053 -3.649 105 2HG2 THR 17 HG23 THR 17 4.380 -8.121 -3.048 106 3HG2 THR 17 HG22 THR 17 5.095 -9.533 -3.827 107 H GLN 18 HN GLN 18 6.950 -5.101 -6.589 108 HA GLN 18 HA GLN 18 7.218 -4.086 -3.818 109 1HB GLN 18 HB2 GLN 18 8.520 -3.424 -6.449 110 2HB GLN 18 HB1 GLN 18 8.598 -2.278 -5.110 111 1HG GLN 18 HG2 GLN 18 9.277 -4.514 -3.780 112 2HG GLN 18 HG1 GLN 18 9.861 -4.961 -5.383 113 1HE2 GLN 18 HE22 GLN 18 12.774 -3.229 -4.101 114 2HE2 GLN 18 HE21 GLN 18 12.041 -4.770 -4.122 115 H ALA 19 HN ALA 19 4.588 -4.038 -4.938 116 HA ALA 19 HA ALA 19 4.160 -1.173 -5.616 117 1HB ALA 19 HB1 ALA 19 2.584 -3.691 -5.967 118 2HB ALA 19 HB3 ALA 19 1.694 -2.178 -5.792 119 3HB ALA 19 HB2 ALA 19 2.856 -2.371 -7.105 120 H SER 20 HN SER 20 3.793 -3.482 -3.061 121 HA SER 20 HA SER 20 1.751 -2.209 -1.525 122 1HB SER 20 HB2 SER 20 2.722 -4.510 -1.120 123 2HB SER 20 HB1 SER 20 4.154 -3.723 -0.462 124 HG SER 20 HG SER 20 1.747 -4.169 0.681 125 H CYS 21 HN CYS 21 4.338 -2.174 0.564 126 HA CYS 21 HA CYS 21 4.190 0.546 1.172 127 1HB CYS 21 HB2 CYS 21 6.158 0.323 2.443 128 2HB CYS 21 HB1 CYS 21 5.482 -1.306 2.423 129 H GLU 22 HN GLU 22 6.180 2.186 0.735 130 HA GLU 22 HA GLU 22 7.133 3.517 -0.992 131 1HB GLU 22 HB2 GLU 22 7.485 1.113 -2.742 132 2HB GLU 22 HB1 GLU 22 8.619 2.421 -2.405 133 1HG GLU 22 HG2 GLU 22 8.279 1.206 0.068 134 2HG GLU 22 HG1 GLU 22 8.300 -0.147 -1.062 135 H CYS 23 HN CYS 23 4.375 2.531 -0.783 136 HA CYS 23 HA CYS 23 3.085 1.933 -3.206 137 1HB CYS 23 HB2 CYS 23 2.494 2.455 -0.506 138 2HB CYS 23 HB1 CYS 23 1.473 3.539 -1.450 139 HA PRO 24 HA PRO 24 2.204 5.022 -6.077 140 1HB PRO 24 HB2 PRO 24 0.041 6.174 -4.372 141 2HB PRO 24 HB1 PRO 24 -0.001 5.699 -6.081 142 1HG PRO 24 HG2 PRO 24 -1.125 4.196 -4.123 143 2HG PRO 24 HG1 PRO 24 -0.443 3.475 -5.590 144 1HD PRO 24 HD2 PRO 24 0.560 3.477 -2.843 145 2HD PRO 24 HD1 PRO 24 0.901 2.328 -4.150 146 H GLU 25 HN GLU 25 3.094 7.011 -6.444 147 HA GLU 25 HA GLU 25 4.565 8.331 -4.372 148 1HB GLU 25 HB2 GLU 25 4.676 8.428 -7.066 149 2HB GLU 25 HB1 GLU 25 3.749 9.899 -6.766 150 1HG GLU 25 HG2 GLU 25 5.712 10.095 -4.862 151 2HG GLU 25 HG1 GLU 25 6.580 9.313 -6.184 152 H GLY 26 HN GLY 26 3.077 8.747 -2.718 153 1HA GLY 26 HA2 GLY 26 2.037 11.006 -1.995 154 2HA GLY 26 HA1 GLY 26 0.917 10.709 -3.334 155 H TYR 27 HN TYR 27 0.837 7.810 -2.933 156 HA TYR 27 HA TYR 27 -1.344 7.615 -1.179 157 1HB TYR 27 HB2 TYR 27 0.325 5.732 -2.623 158 2HB TYR 27 HB1 TYR 27 -0.151 5.089 -1.043 159 HD1 TYR 27 HD1 TYR 27 -1.609 7.042 -3.882 160 HD2 TYR 27 HD2 TYR 27 -2.245 4.011 -0.905 161 HE1 TYR 27 HE1 TYR 27 -3.888 6.659 -4.771 162 HE2 TYR 27 HE2 TYR 27 -4.526 3.632 -1.805 163 HH TYR 27 HH TYR 27 -5.832 3.974 -3.721 164 H ILE 28 HN ILE 28 -0.854 5.695 0.773 165 HA ILE 28 HA ILE 28 1.486 5.814 2.271 166 HB ILE 28 HB ILE 28 1.410 8.188 2.466 167 1HG1 ILE 28 HG12 ILE 28 0.039 7.194 4.978 168 2HG1 ILE 28 HG11 ILE 28 1.739 6.877 4.615 169 1HG2 ILE 28 HG21 ILE 28 -1.350 7.830 2.103 170 2HG2 ILE 28 HG23 ILE 28 -1.189 8.548 3.706 171 3HG2 ILE 28 HG22 ILE 28 -0.504 9.365 2.302 172 1HD1 ILE 28 HD11 ILE 28 1.728 9.527 4.199 173 2HD1 ILE 28 HD13 ILE 28 0.404 9.437 5.361 174 3HD1 ILE 28 HD12 ILE 28 2.003 8.832 5.797 175 H LEU 29 HN LEU 29 1.178 5.114 4.529 176 HA LEU 29 HA LEU 29 -1.276 3.497 4.771 177 1HB LEU 29 HB2 LEU 29 1.072 3.583 6.678 178 2HB LEU 29 HB1 LEU 29 -0.117 2.290 6.478 179 HG LEU 29 HG LEU 29 1.480 3.139 4.119 180 1HD1 LEU 29 HD11 LEU 29 2.670 2.251 6.540 181 2HD1 LEU 29 HD13 LEU 29 2.766 0.929 5.378 182 3HD1 LEU 29 HD12 LEU 29 3.448 2.504 4.978 183 1HD2 LEU 29 HD23 LEU 29 -0.369 1.105 4.786 184 2HD2 LEU 29 HD22 LEU 29 0.489 1.310 3.260 185 3HD2 LEU 29 HD21 LEU 29 1.186 0.314 4.537 186 H ASP 30 HN ASP 30 -0.550 3.746 7.827 187 HA ASP 30 HA ASP 30 -0.923 6.144 9.027 188 1HB ASP 30 HB2 ASP 30 -3.306 5.552 7.380 189 2HB ASP 30 HB1 ASP 30 -3.658 6.034 9.040 190 H ASP 31 HN ASP 31 -0.181 4.785 10.743 191 HA ASP 31 HA ASP 31 -0.386 3.215 12.499 192 1HB ASP 31 HB2 ASP 31 -3.268 4.071 12.653 193 2HB ASP 31 HB1 ASP 31 -2.131 3.763 13.967 194 H GLY 32 HN GLY 32 -1.146 2.338 9.742 195 1HA GLY 32 HA2 GLY 32 -2.670 -0.082 10.551 196 2HA GLY 32 HA1 GLY 32 -3.208 0.823 9.137 197 H PHE 33 HN PHE 33 -0.386 1.487 8.398 198 HA PHE 33 HA PHE 33 1.309 0.594 7.076 199 1HB PHE 33 HB2 PHE 33 0.610 -1.821 8.755 200 2HB PHE 33 HB1 PHE 33 1.837 -1.890 7.487 201 HD1 PHE 33 HD1 PHE 33 3.924 -0.640 7.673 202 HD2 PHE 33 HD2 PHE 33 0.941 -0.454 10.758 203 HE1 PHE 33 HE1 PHE 33 5.574 0.400 9.206 204 HE2 PHE 33 HE2 PHE 33 2.590 0.586 12.291 205 HZ PHE 33 HZ PHE 33 4.907 1.012 11.515 206 H ILE 34 HN ILE 34 -1.833 0.168 6.633 207 HA ILE 34 HA ILE 34 -1.545 -1.812 4.430 208 HB ILE 34 HB ILE 34 -4.095 -0.541 5.457 209 1HG1 ILE 34 HG12 ILE 34 -3.112 -1.866 7.249 210 2HG1 ILE 34 HG11 ILE 34 -4.441 -2.791 6.536 211 1HG2 ILE 34 HG22 ILE 34 -3.874 -1.548 3.080 212 2HG2 ILE 34 HG21 ILE 34 -3.740 -3.105 3.897 213 3HG2 ILE 34 HG23 ILE 34 -5.199 -2.132 4.085 214 1HD1 ILE 34 HD13 ILE 34 -2.335 -3.527 4.947 215 2HD1 ILE 34 HD12 ILE 34 -1.549 -3.339 6.515 216 3HD1 ILE 34 HD11 ILE 34 -2.906 -4.451 6.336 217 H CYS 35 HN CYS 35 -0.750 -0.724 2.693 218 HA CYS 35 HA CYS 35 -1.317 2.036 2.101 219 1HB CYS 35 HB2 CYS 35 0.598 1.205 1.024 220 2HB CYS 35 HB1 CYS 35 -0.213 -0.270 0.500 221 H THR 36 HN THR 36 -3.002 2.942 1.004 222 HA THR 36 HA THR 36 -4.655 2.045 -0.976 223 HB THR 36 HB THR 36 -5.358 0.738 1.602 224 HG1 THR 36 HG1 THR 36 -5.945 -0.052 -1.032 225 1HG2 THR 36 HG22 THR 36 -7.265 2.154 -0.158 226 2HG2 THR 36 HG21 THR 36 -7.688 0.481 0.194 227 3HG2 THR 36 HG23 THR 36 -7.458 1.628 1.514 228 H ASP 37 HN ASP 37 -5.021 3.185 2.350 229 HA ASP 37 HA ASP 37 -5.736 5.286 3.154 230 1HB ASP 37 HB2 ASP 37 -4.799 5.891 0.631 231 2HB ASP 37 HB1 ASP 37 -6.478 6.427 0.548 232 H ILE 38 HN ILE 38 -7.731 5.442 4.046 233 HA ILE 38 HA ILE 38 -10.113 5.122 2.303 234 HB ILE 38 HB ILE 38 -11.147 3.518 3.797 235 1HG1 ILE 38 HG12 ILE 38 -8.631 3.906 5.448 236 2HG1 ILE 38 HG11 ILE 38 -10.290 4.279 5.928 237 1HG2 ILE 38 HG21 ILE 38 -9.199 2.884 2.085 238 2HG2 ILE 38 HG23 ILE 38 -8.395 2.374 3.569 239 3HG2 ILE 38 HG22 ILE 38 -9.945 1.664 3.118 240 1HD1 ILE 38 HD11 ILE 38 -10.420 1.608 5.168 241 2HD1 ILE 38 HD13 ILE 38 -8.869 1.724 5.999 242 3HD1 ILE 38 HD12 ILE 38 -10.351 2.206 6.826 243 H ASP 39 HN ASP 39 -12.027 5.199 4.357 244 HA ASP 39 HA ASP 39 -11.865 8.018 5.099 245 1HB ASP 39 HB2 ASP 39 -14.087 7.515 6.217 246 2HB ASP 39 HB1 ASP 39 -14.031 7.169 4.484 247 H GLU 40 HN GLU 40 -10.898 8.739 6.927 248 HA GLU 40 HA GLU 40 -9.864 8.682 9.040 249 1HB GLU 40 HB2 GLU 40 -12.357 8.596 9.565 250 2HB GLU 40 HB1 GLU 40 -12.167 6.852 9.756 251 1HG GLU 40 HG2 GLU 40 -11.522 7.228 11.879 252 2HG GLU 40 HG1 GLU 40 -10.067 7.993 11.239 No H/Q in entry = 252 Start of MODEL 12 1 1H GLN 1 HT3 GLN 1 -1.369 -4.475 -6.123 2 2H GLN 1 HT2 GLN 1 -1.113 -5.752 -7.213 3 3H GLN 1 HT1 GLN 1 -1.157 -6.055 -5.542 4 HA GLN 1 HA GLN 1 0.928 -5.260 -5.172 5 1HB GLN 1 HB2 GLN 1 2.387 -6.096 -6.919 6 2HB GLN 1 HB1 GLN 1 0.990 -7.168 -6.816 7 1HG GLN 1 HG2 GLN 1 0.075 -5.347 -8.617 8 2HG GLN 1 HG1 GLN 1 1.800 -5.326 -8.990 9 1HE2 GLN 1 HE22 GLN 1 -0.412 -8.653 -9.839 10 2HE2 GLN 1 HE21 GLN 1 -1.088 -7.383 -8.938 11 H MET 2 HN MET 2 -0.082 -2.902 -5.193 12 HA MET 2 HA MET 2 1.741 -1.057 -6.127 13 1HB MET 2 HB2 MET 2 0.154 -2.130 -8.325 14 2HB MET 2 HB1 MET 2 -0.033 -0.382 -8.185 15 1HG MET 2 HG2 MET 2 2.691 -0.773 -7.802 16 2HG MET 2 HG1 MET 2 2.282 -1.933 -9.065 17 1HE MET 2 HE2 MET 2 3.504 -1.242 -10.628 18 2HE MET 2 HE1 MET 2 2.240 -0.907 -11.809 19 3HE MET 2 HE3 MET 2 3.531 0.270 -11.532 20 H PHE 3 HN PHE 3 1.150 0.875 -5.191 21 HA PHE 3 HA PHE 3 -0.175 2.285 -3.843 22 1HB PHE 3 HB2 PHE 3 -2.125 1.966 -6.106 23 2HB PHE 3 HB1 PHE 3 -1.727 3.418 -5.189 24 HD1 PHE 3 HD2 PHE 3 1.354 2.756 -5.252 25 HD2 PHE 3 HD1 PHE 3 -1.692 3.064 -8.264 26 HE1 PHE 3 HE2 PHE 3 3.078 3.338 -6.936 27 HE2 PHE 3 HE1 PHE 3 0.032 3.646 -9.949 28 HZ PHE 3 HZ PHE 3 2.418 3.783 -9.284 29 H CYS 4 HN CYS 4 -0.660 -0.679 -3.487 30 HA CYS 4 HA CYS 4 -2.475 -2.164 -2.935 31 1HB CYS 4 HB2 CYS 4 -1.445 -1.371 -0.818 32 2HB CYS 4 HB1 CYS 4 -2.593 -0.022 -0.781 33 H ASN 5 HN ASN 5 -4.110 -1.936 -4.546 34 HA ASN 5 HA ASN 5 -6.289 -0.020 -3.808 35 1HB ASN 5 HB2 ASN 5 -6.387 -1.074 -6.547 36 2HB ASN 5 HB1 ASN 5 -6.518 0.592 -5.979 37 1HD2 ASN 5 HD22 ASN 5 -3.171 -0.390 -7.805 38 2HD2 ASN 5 HD21 ASN 5 -4.700 -1.110 -8.042 39 H GLN 6 HN GLN 6 -7.548 -1.402 -2.550 40 HA GLN 6 HA GLN 6 -9.495 -3.024 -3.647 41 1HB GLN 6 HB2 GLN 6 -7.938 -4.567 -4.587 42 2HB GLN 6 HB1 GLN 6 -6.953 -4.582 -3.124 43 1HG GLN 6 HG2 GLN 6 -8.182 -6.254 -2.251 44 2HG GLN 6 HG1 GLN 6 -9.674 -5.350 -2.508 45 1HE2 GLN 6 HE22 GLN 6 -8.985 -8.490 -4.847 46 2HE2 GLN 6 HE21 GLN 6 -8.235 -8.222 -3.338 47 H THR 7 HN THR 7 -10.467 -1.989 -1.778 48 HA THR 7 HA THR 7 -11.026 -1.782 0.512 49 HB THR 7 HB THR 7 -10.463 -4.588 1.123 50 HG1 THR 7 HG1 THR 7 -10.764 -5.104 -0.935 51 1HG2 THR 7 HG21 THR 7 -12.754 -2.668 1.153 52 2HG2 THR 7 HG23 THR 7 -13.115 -4.394 1.201 53 3HG2 THR 7 HG22 THR 7 -12.113 -3.668 2.457 54 H ALA 8 HN ALA 8 -8.182 -1.540 -0.283 55 HA ALA 8 HA ALA 8 -6.185 -1.089 0.845 56 1HB ALA 8 HB2 ALA 8 -7.723 -0.508 2.789 57 2HB ALA 8 HB1 ALA 8 -7.482 -2.160 3.356 58 3HB ALA 8 HB3 ALA 8 -6.108 -1.061 3.229 59 H CYS 9 HN CYS 9 -4.480 -2.353 2.116 60 HA CYS 9 HA CYS 9 -4.556 -5.165 2.489 61 1HB CYS 9 HB2 CYS 9 -3.592 -6.020 0.452 62 2HB CYS 9 HB1 CYS 9 -4.999 -5.067 -0.030 63 HA PRO 10 HA PRO 10 -0.926 -4.087 4.508 64 1HB PRO 10 HB2 PRO 10 0.626 -6.323 3.601 65 2HB PRO 10 HB1 PRO 10 -0.124 -6.074 5.185 66 1HG PRO 10 HG2 PRO 10 -0.968 -7.851 3.083 67 2HG PRO 10 HG1 PRO 10 -1.689 -7.627 4.685 68 1HD PRO 10 HD2 PRO 10 -2.752 -6.788 2.164 69 2HD PRO 10 HD1 PRO 10 -3.429 -6.492 3.778 70 H ALA 11 HN ALA 11 1.648 -4.386 3.927 71 HA ALA 11 HA ALA 11 2.045 -3.349 1.153 72 1HB ALA 11 HB2 ALA 11 1.927 -1.464 2.815 73 2HB ALA 11 HB1 ALA 11 3.317 -2.167 3.642 74 3HB ALA 11 HB3 ALA 11 3.481 -1.573 1.989 75 H ASP 12 HN ASP 12 2.613 -5.931 2.665 76 HA ASP 12 HA ASP 12 5.288 -6.317 3.326 77 1HB ASP 12 HB2 ASP 12 3.165 -7.988 2.896 78 2HB ASP 12 HB1 ASP 12 4.210 -8.404 1.533 79 H CYS 13 HN CYS 13 6.686 -4.997 2.076 80 HA CYS 13 HA CYS 13 6.750 -4.764 -0.727 81 1HB CYS 13 HB2 CYS 13 9.250 -4.945 0.967 82 2HB CYS 13 HB1 CYS 13 9.000 -4.001 -0.505 83 H ASP 14 HN ASP 14 8.226 -5.859 -2.284 84 HA ASP 14 HA ASP 14 9.555 -8.314 -1.659 85 1HB ASP 14 HB2 ASP 14 6.711 -8.514 -1.840 86 2HB ASP 14 HB1 ASP 14 7.401 -9.303 -3.264 87 HA PRO 15 HA PRO 15 11.107 -7.746 -5.664 88 1HB PRO 15 HB2 PRO 15 10.892 -10.452 -6.610 89 2HB PRO 15 HB1 PRO 15 12.331 -9.625 -5.997 90 1HG PRO 15 HG2 PRO 15 10.793 -11.684 -4.695 91 2HG PRO 15 HG1 PRO 15 12.234 -10.856 -4.089 92 1HD PRO 15 HD2 PRO 15 9.516 -10.535 -3.202 93 2HD PRO 15 HD1 PRO 15 10.962 -9.697 -2.607 94 H ASN 16 HN ASN 16 8.410 -10.107 -5.712 95 HA ASN 16 HA ASN 16 7.537 -9.135 -8.345 96 1HB ASN 16 HB2 ASN 16 5.789 -10.828 -8.159 97 2HB ASN 16 HB1 ASN 16 7.334 -11.540 -7.693 98 1HD2 ASN 16 HD22 ASN 16 6.066 -12.490 -4.555 99 2HD2 ASN 16 HD21 ASN 16 7.124 -12.810 -5.853 100 H THR 17 HN THR 17 7.049 -8.253 -5.098 101 HA THR 17 HA THR 17 4.730 -6.568 -5.922 102 HB THR 17 HB THR 17 3.851 -6.951 -3.538 103 HG1 THR 17 HG1 THR 17 4.544 -9.092 -2.789 104 1HG2 THR 17 HG22 THR 17 3.755 -8.754 -5.878 105 2HG2 THR 17 HG21 THR 17 3.205 -9.467 -4.361 106 3HG2 THR 17 HG23 THR 17 2.437 -8.004 -4.977 107 H GLN 18 HN GLN 18 7.087 -5.392 -6.022 108 HA GLN 18 HA GLN 18 7.828 -4.286 -3.388 109 1HB GLN 18 HB2 GLN 18 9.158 -4.672 -5.870 110 2HB GLN 18 HB1 GLN 18 9.099 -2.932 -5.585 111 1HG GLN 18 HG2 GLN 18 10.235 -3.114 -3.520 112 2HG GLN 18 HG1 GLN 18 9.927 -4.847 -3.405 113 1HE2 GLN 18 HE22 GLN 18 13.459 -4.349 -4.578 114 2HE2 GLN 18 HE21 GLN 18 12.585 -3.867 -3.195 115 H ALA 19 HN ALA 19 5.149 -3.713 -4.443 116 HA ALA 19 HA ALA 19 5.401 -0.743 -4.580 117 1HB ALA 19 HB2 ALA 19 4.852 -1.752 -6.822 118 2HB ALA 19 HB1 ALA 19 3.358 -2.367 -6.115 119 3HB ALA 19 HB3 ALA 19 3.634 -0.628 -6.218 120 H SER 20 HN SER 20 4.220 -3.349 -2.873 121 HA SER 20 HA SER 20 1.639 -2.244 -2.129 122 1HB SER 20 HB2 SER 20 2.647 -4.731 -1.921 123 2HB SER 20 HB1 SER 20 3.030 -4.146 -0.305 124 HG SER 20 HG SER 20 0.475 -3.927 -1.524 125 H CYS 21 HN CYS 21 4.758 -1.429 -1.417 126 HA CYS 21 HA CYS 21 3.881 0.075 1.004 127 1HB CYS 21 HB2 CYS 21 6.372 -0.106 1.699 128 2HB CYS 21 HB1 CYS 21 5.353 -1.528 1.924 129 H GLU 22 HN GLU 22 6.368 1.624 1.144 130 HA GLU 22 HA GLU 22 7.052 3.691 0.205 131 1HB GLU 22 HB2 GLU 22 7.068 2.903 -2.577 132 2HB GLU 22 HB1 GLU 22 8.444 3.181 -1.511 133 1HG GLU 22 HG2 GLU 22 7.907 0.811 -0.575 134 2HG GLU 22 HG1 GLU 22 6.978 0.607 -2.061 135 H CYS 23 HN CYS 23 4.278 3.039 0.467 136 HA CYS 23 HA CYS 23 2.314 3.313 -1.170 137 1HB CYS 23 HB2 CYS 23 2.934 5.124 1.118 138 2HB CYS 23 HB1 CYS 23 1.513 5.471 0.127 139 HA PRO 24 HA PRO 24 2.664 5.837 -4.682 140 1HB PRO 24 HB2 PRO 24 0.069 6.998 -3.777 141 2HB PRO 24 HB1 PRO 24 0.484 6.256 -5.334 142 1HG PRO 24 HG2 PRO 24 -1.029 5.012 -3.407 143 2HG PRO 24 HG1 PRO 24 -0.070 4.148 -4.616 144 1HD PRO 24 HD2 PRO 24 0.410 4.400 -1.735 145 2HD PRO 24 HD1 PRO 24 1.134 3.269 -2.897 146 H GLU 25 HN GLU 25 3.020 8.114 -5.155 147 HA GLU 25 HA GLU 25 4.115 9.620 -2.971 148 1HB GLU 25 HB2 GLU 25 4.047 11.532 -4.700 149 2HB GLU 25 HB1 GLU 25 4.995 10.109 -5.131 150 1HG GLU 25 HG2 GLU 25 3.605 9.552 -6.837 151 2HG GLU 25 HG1 GLU 25 2.159 9.926 -5.898 152 H GLY 26 HN GLY 26 2.390 9.707 -1.421 153 1HA GLY 26 HA2 GLY 26 0.970 11.685 -0.679 154 2HA GLY 26 HA1 GLY 26 0.127 11.484 -2.219 155 H TYR 27 HN TYR 27 0.428 8.419 -1.882 156 HA TYR 27 HA TYR 27 -2.131 7.899 -0.895 157 1HB TYR 27 HB2 TYR 27 -0.041 6.257 -1.762 158 2HB TYR 27 HB1 TYR 27 -0.361 5.726 -0.103 159 HD1 TYR 27 HD2 TYR 27 -2.519 7.080 -2.864 160 HD2 TYR 27 HD1 TYR 27 -1.815 3.902 -0.066 161 HE1 TYR 27 HE2 TYR 27 -4.599 5.960 -3.615 162 HE2 TYR 27 HE1 TYR 27 -3.894 2.780 -0.818 163 HH TYR 27 HH TYR 27 -5.924 3.227 -1.923 164 H ILE 28 HN ILE 28 0.940 7.977 0.882 165 HA ILE 28 HA ILE 28 1.355 8.435 3.136 166 HB ILE 28 HB ILE 28 -1.200 9.620 2.595 167 1HG1 ILE 28 HG12 ILE 28 0.244 10.396 5.046 168 2HG1 ILE 28 HG11 ILE 28 1.247 10.337 3.591 169 1HG2 ILE 28 HG23 ILE 28 -0.982 8.227 5.273 170 2HG2 ILE 28 HG22 ILE 28 -2.019 9.629 5.013 171 3HG2 ILE 28 HG21 ILE 28 -2.307 8.140 4.113 172 1HD1 ILE 28 HD12 ILE 28 -1.382 11.831 3.836 173 2HD1 ILE 28 HD11 ILE 28 0.217 12.572 3.902 174 3HD1 ILE 28 HD13 ILE 28 -0.336 11.799 2.416 175 H LEU 29 HN LEU 29 1.970 6.556 4.093 176 HA LEU 29 HA LEU 29 0.390 4.189 4.229 177 1HB LEU 29 HB2 LEU 29 2.948 5.141 5.341 178 2HB LEU 29 HB1 LEU 29 2.119 3.949 6.352 179 HG LEU 29 HG LEU 29 2.608 3.625 3.394 180 1HD1 LEU 29 HD13 LEU 29 4.173 2.772 5.802 181 2HD1 LEU 29 HD12 LEU 29 4.152 1.742 4.371 182 3HD1 LEU 29 HD11 LEU 29 4.758 3.394 4.259 183 1HD2 LEU 29 HD23 LEU 29 1.251 2.052 5.525 184 2HD2 LEU 29 HD22 LEU 29 0.850 2.211 3.816 185 3HD2 LEU 29 HD21 LEU 29 2.168 1.152 4.316 186 H ASP 30 HN ASP 30 0.429 3.350 6.851 187 HA ASP 30 HA ASP 30 -1.159 5.368 8.364 188 1HB ASP 30 HB2 ASP 30 -2.078 2.502 8.173 189 2HB ASP 30 HB1 ASP 30 -2.990 3.916 8.702 190 H ASP 31 HN ASP 31 -1.829 3.880 10.555 191 HA ASP 31 HA ASP 31 0.656 3.669 11.973 192 1HB ASP 31 HB2 ASP 31 -2.211 3.156 12.552 193 2HB ASP 31 HB1 ASP 31 -1.053 2.284 13.559 194 H GLY 32 HN GLY 32 -0.888 1.538 9.832 195 1HA GLY 32 HA2 GLY 32 0.543 -0.812 10.991 196 2HA GLY 32 HA1 GLY 32 -0.835 -0.923 9.895 197 H PHE 33 HN PHE 33 1.599 1.450 9.259 198 HA PHE 33 HA PHE 33 2.827 1.728 7.267 199 1HB PHE 33 HB2 PHE 33 4.704 0.260 7.157 200 2HB PHE 33 HB1 PHE 33 4.282 0.366 8.868 201 HD1 PHE 33 HD1 PHE 33 3.210 -1.513 10.024 202 HD2 PHE 33 HD2 PHE 33 4.308 -1.776 5.880 203 HE1 PHE 33 HE1 PHE 33 2.930 -3.975 10.105 204 HE2 PHE 33 HE2 PHE 33 4.026 -4.236 5.959 205 HZ PHE 33 HZ PHE 33 3.338 -5.338 8.073 206 H ILE 34 HN ILE 34 0.153 0.431 6.970 207 HA ILE 34 HA ILE 34 0.685 -1.318 4.617 208 HB ILE 34 HB ILE 34 -1.855 -0.843 6.193 209 1HG1 ILE 34 HG12 ILE 34 -0.625 -2.348 7.495 210 2HG1 ILE 34 HG11 ILE 34 -1.500 -3.451 6.432 211 1HG2 ILE 34 HG22 ILE 34 -1.267 -2.434 3.693 212 2HG2 ILE 34 HG21 ILE 34 -2.706 -2.715 4.672 213 3HG2 ILE 34 HG23 ILE 34 -2.459 -1.151 3.890 214 1HD1 ILE 34 HD11 ILE 34 0.617 -3.146 4.881 215 2HD1 ILE 34 HD13 ILE 34 1.400 -2.681 6.390 216 3HD1 ILE 34 HD12 ILE 34 0.664 -4.276 6.231 217 H CYS 35 HN CYS 35 -0.018 -0.696 2.587 218 HA CYS 35 HA CYS 35 -0.654 2.141 2.269 219 1HB CYS 35 HB2 CYS 35 0.643 0.291 0.702 220 2HB CYS 35 HB1 CYS 35 -0.931 0.397 -0.088 221 H THR 36 HN THR 36 -2.643 2.901 1.260 222 HA THR 36 HA THR 36 -4.806 1.475 0.315 223 HB THR 36 HB THR 36 -5.037 0.082 2.197 224 HG1 THR 36 HG1 THR 36 -7.002 1.036 1.728 225 1HG2 THR 36 HG21 THR 36 -3.629 2.109 3.522 226 2HG2 THR 36 HG23 THR 36 -5.182 2.029 4.350 227 3HG2 THR 36 HG22 THR 36 -4.178 0.585 4.217 228 H ASP 37 HN ASP 37 -6.976 2.654 0.780 229 HA ASP 37 HA ASP 37 -6.571 5.472 1.618 230 1HB ASP 37 HB2 ASP 37 -7.579 6.331 -0.453 231 2HB ASP 37 HB1 ASP 37 -6.115 5.418 -0.821 232 H ILE 38 HN ILE 38 -7.941 4.245 3.321 233 HA ILE 38 HA ILE 38 -10.803 4.702 2.645 234 HB ILE 38 HB ILE 38 -11.397 2.605 3.871 235 1HG1 ILE 38 HG12 ILE 38 -8.634 1.564 3.549 236 2HG1 ILE 38 HG11 ILE 38 -8.871 2.722 4.863 237 1HG2 ILE 38 HG22 ILE 38 -9.806 2.646 1.341 238 2HG2 ILE 38 HG21 ILE 38 -10.202 1.074 2.037 239 3HG2 ILE 38 HG23 ILE 38 -11.491 2.195 1.599 240 1HD1 ILE 38 HD13 ILE 38 -10.949 1.278 5.461 241 2HD1 ILE 38 HD12 ILE 38 -10.191 0.044 4.454 242 3HD1 ILE 38 HD11 ILE 38 -9.353 0.655 5.881 243 H ASP 39 HN ASP 39 -8.637 6.059 4.283 244 HA ASP 39 HA ASP 39 -9.320 5.674 7.069 245 1HB ASP 39 HB2 ASP 39 -8.175 8.242 6.004 246 2HB ASP 39 HB1 ASP 39 -7.803 7.396 7.511 247 H GLU 40 HN GLU 40 -11.302 6.199 7.856 248 HA GLU 40 HA GLU 40 -13.251 7.438 8.274 249 1HB GLU 40 HB2 GLU 40 -11.213 9.276 8.193 250 2HB GLU 40 HB1 GLU 40 -12.298 9.894 6.947 251 1HG GLU 40 HG2 GLU 40 -14.074 9.247 8.927 252 2HG GLU 40 HG1 GLU 40 -12.676 9.761 9.871 No H/Q in entry = 252 Start of MODEL 13 1 1H GLN 1 HT2 GLN 1 -0.333 1.161 -10.503 2 2H GLN 1 HT1 GLN 1 0.961 2.019 -11.193 3 3H GLN 1 HT3 GLN 1 1.092 0.346 -10.941 4 HA GLN 1 HA GLN 1 2.325 1.290 -9.212 5 1HB GLN 1 HB2 GLN 1 0.250 3.359 -9.449 6 2HB GLN 1 HB1 GLN 1 0.676 2.978 -7.780 7 1HG GLN 1 HG2 GLN 1 3.071 3.299 -8.331 8 2HG GLN 1 HG1 GLN 1 2.622 3.726 -9.983 9 1HE2 GLN 1 HE22 GLN 1 1.172 6.896 -8.995 10 2HE2 GLN 1 HE21 GLN 1 0.948 5.627 -10.099 11 H MET 2 HN MET 2 -1.227 1.098 -8.799 12 HA MET 2 HA MET 2 -2.504 -0.298 -7.411 13 1HB MET 2 HB2 MET 2 0.042 -1.891 -7.024 14 2HB MET 2 HB1 MET 2 -1.618 -2.459 -6.846 15 1HG MET 2 HG2 MET 2 -1.772 -1.601 -9.378 16 2HG MET 2 HG1 MET 2 -0.044 -1.952 -9.329 17 1HE MET 2 HE1 MET 2 -1.917 -2.900 -11.131 18 2HE MET 2 HE3 MET 2 -0.993 -4.389 -11.371 19 3HE MET 2 HE2 MET 2 -2.703 -4.467 -10.956 20 H PHE 3 HN PHE 3 -3.093 0.304 -5.392 21 HA PHE 3 HA PHE 3 -0.994 1.274 -3.528 22 1HB PHE 3 HB2 PHE 3 -3.724 1.437 -2.519 23 2HB PHE 3 HB1 PHE 3 -2.554 2.727 -2.785 24 HD1 PHE 3 HD2 PHE 3 -2.261 3.649 -5.145 25 HD2 PHE 3 HD1 PHE 3 -5.527 1.093 -4.024 26 HE1 PHE 3 HE2 PHE 3 -3.523 4.381 -7.150 27 HE2 PHE 3 HE1 PHE 3 -6.788 1.825 -6.031 28 HZ PHE 3 HZ PHE 3 -5.786 3.469 -7.593 29 H CYS 4 HN CYS 4 -0.126 -0.654 -2.681 30 HA CYS 4 HA CYS 4 -0.049 -2.357 -1.082 31 1HB CYS 4 HB2 CYS 4 -1.499 -2.093 0.648 32 2HB CYS 4 HB1 CYS 4 -2.371 -0.912 -0.324 33 H ASN 5 HN ASN 5 -1.355 -2.330 -3.984 34 HA ASN 5 HA ASN 5 -1.726 -4.074 -5.526 35 1HB ASN 5 HB2 ASN 5 -0.152 -5.268 -3.696 36 2HB ASN 5 HB1 ASN 5 -1.639 -6.184 -3.425 37 1HD2 ASN 5 HD22 ASN 5 -1.547 -7.783 -6.624 38 2HD2 ASN 5 HD21 ASN 5 -2.559 -7.358 -5.318 39 H GLN 6 HN GLN 6 -3.790 -2.826 -3.657 40 HA GLN 6 HA GLN 6 -6.092 -4.162 -4.625 41 1HB GLN 6 HB2 GLN 6 -4.990 -5.808 -2.820 42 2HB GLN 6 HB1 GLN 6 -5.885 -4.772 -1.708 43 1HG GLN 6 HG2 GLN 6 -7.941 -5.160 -3.091 44 2HG GLN 6 HG1 GLN 6 -7.023 -6.318 -4.053 45 1HE2 GLN 6 HE22 GLN 6 -6.570 -8.124 -0.661 46 2HE2 GLN 6 HE21 GLN 6 -5.492 -7.084 -1.477 47 H THR 7 HN THR 7 -8.111 -3.339 -3.466 48 HA THR 7 HA THR 7 -8.162 -0.585 -3.176 49 HB THR 7 HB THR 7 -10.244 -1.784 -3.216 50 HG1 THR 7 HG1 THR 7 -9.865 -0.686 -0.630 51 1HG2 THR 7 HG21 THR 7 -9.115 -3.751 -1.897 52 2HG2 THR 7 HG23 THR 7 -9.760 -2.922 -0.480 53 3HG2 THR 7 HG22 THR 7 -10.852 -3.488 -1.744 54 H ALA 8 HN ALA 8 -7.727 -2.942 -0.521 55 HA ALA 8 HA ALA 8 -5.964 -1.058 0.857 56 1HB ALA 8 HB3 ALA 8 -8.282 -0.348 1.544 57 2HB ALA 8 HB2 ALA 8 -8.493 -1.945 2.263 58 3HB ALA 8 HB1 ALA 8 -7.253 -0.856 2.883 59 H CYS 9 HN CYS 9 -4.610 -2.120 2.271 60 HA CYS 9 HA CYS 9 -5.015 -4.643 3.519 61 1HB CYS 9 HB2 CYS 9 -3.981 -6.201 2.047 62 2HB CYS 9 HB1 CYS 9 -5.083 -5.294 1.014 63 HA PRO 10 HA PRO 10 -1.391 -3.585 5.510 64 1HB PRO 10 HB2 PRO 10 0.028 -6.077 4.980 65 2HB PRO 10 HB1 PRO 10 -0.588 -5.445 6.515 66 1HG PRO 10 HG2 PRO 10 -1.718 -7.543 4.967 67 2HG PRO 10 HG1 PRO 10 -2.428 -6.771 6.393 68 1HD PRO 10 HD2 PRO 10 -3.285 -6.571 3.663 69 2HD PRO 10 HD1 PRO 10 -4.002 -5.803 5.093 70 H ALA 11 HN ALA 11 1.262 -4.269 5.066 71 HA ALA 11 HA ALA 11 1.732 -3.402 2.242 72 1HB ALA 11 HB2 ALA 11 2.993 -2.252 4.748 73 2HB ALA 11 HB1 ALA 11 3.523 -1.888 3.107 74 3HB ALA 11 HB3 ALA 11 1.909 -1.416 3.635 75 H ASP 12 HN ASP 12 2.148 -5.868 2.258 76 HA ASP 12 HA ASP 12 4.730 -6.633 3.472 77 1HB ASP 12 HB2 ASP 12 2.755 -8.205 3.403 78 2HB ASP 12 HB1 ASP 12 2.934 -8.259 1.645 79 H CYS 13 HN CYS 13 6.075 -5.161 2.203 80 HA CYS 13 HA CYS 13 6.127 -4.911 -0.586 81 1HB CYS 13 HB2 CYS 13 8.733 -5.219 0.890 82 2HB CYS 13 HB1 CYS 13 8.328 -4.117 -0.425 83 H ASP 14 HN ASP 14 7.278 -6.090 -2.254 84 HA ASP 14 HA ASP 14 7.918 -8.906 -1.464 85 1HB ASP 14 HB2 ASP 14 5.896 -8.010 -3.196 86 2HB ASP 14 HB1 ASP 14 7.174 -8.613 -4.256 87 HA PRO 15 HA PRO 15 11.692 -8.232 -3.543 88 1HB PRO 15 HB2 PRO 15 12.088 -10.938 -4.387 89 2HB PRO 15 HB1 PRO 15 12.735 -10.156 -2.938 90 1HG PRO 15 HG2 PRO 15 10.640 -12.140 -3.098 91 2HG PRO 15 HG1 PRO 15 11.329 -11.394 -1.650 92 1HD PRO 15 HD2 PRO 15 8.743 -10.914 -2.810 93 2HD PRO 15 HD1 PRO 15 9.451 -10.147 -1.376 94 H ASN 16 HN ASN 16 9.010 -9.602 -5.203 95 HA ASN 16 HA ASN 16 10.153 -8.715 -7.800 96 1HB ASN 16 HB2 ASN 16 8.969 -10.741 -8.801 97 2HB ASN 16 HB1 ASN 16 10.417 -11.103 -7.861 98 1HD2 ASN 16 HD22 ASN 16 6.897 -12.657 -6.692 99 2HD2 ASN 16 HD21 ASN 16 7.101 -11.859 -8.186 100 H THR 17 HN THR 17 8.253 -7.709 -5.736 101 HA THR 17 HA THR 17 6.134 -6.855 -7.520 102 HB THR 17 HB THR 17 5.696 -8.998 -5.460 103 HG1 THR 17 HG1 THR 17 4.099 -9.491 -7.179 104 1HG2 THR 17 HG22 THR 17 3.907 -6.676 -6.004 105 2HG2 THR 17 HG21 THR 17 3.171 -8.267 -5.807 106 3HG2 THR 17 HG23 THR 17 4.152 -7.584 -4.511 107 H GLN 18 HN GLN 18 7.422 -4.956 -6.694 108 HA GLN 18 HA GLN 18 7.470 -4.179 -3.960 109 1HB GLN 18 HB2 GLN 18 8.360 -3.097 -6.363 110 2HB GLN 18 HB1 GLN 18 7.161 -1.930 -5.804 111 1HG GLN 18 HG2 GLN 18 8.797 -1.116 -4.470 112 2HG GLN 18 HG1 GLN 18 8.549 -2.560 -3.488 113 1HE2 GLN 18 HE22 GLN 18 11.942 -2.187 -5.694 114 2HE2 GLN 18 HE21 GLN 18 10.734 -0.984 -5.723 115 H ALA 19 HN ALA 19 4.814 -4.421 -6.102 116 HA ALA 19 HA ALA 19 3.128 -2.304 -5.350 117 1HB ALA 19 HB2 ALA 19 2.821 -4.759 -6.698 118 2HB ALA 19 HB1 ALA 19 1.637 -4.787 -5.390 119 3HB ALA 19 HB3 ALA 19 1.627 -3.468 -6.562 120 H SER 20 HN SER 20 3.524 -1.792 -3.162 121 HA SER 20 HA SER 20 1.803 -2.459 -1.177 122 1HB SER 20 HB2 SER 20 3.219 -4.192 0.170 123 2HB SER 20 HB1 SER 20 2.207 -4.786 -1.143 124 HG SER 20 HG SER 20 4.211 -5.653 -1.453 125 H CYS 21 HN CYS 21 2.529 -1.621 0.925 126 HA CYS 21 HA CYS 21 3.676 0.102 2.055 127 1HB CYS 21 HB2 CYS 21 6.352 -0.588 1.838 128 2HB CYS 21 HB1 CYS 21 5.239 -1.176 3.073 129 H GLU 22 HN GLU 22 6.123 1.379 1.635 130 HA GLU 22 HA GLU 22 6.789 3.269 0.342 131 1HB GLU 22 HB2 GLU 22 6.856 1.779 -2.178 132 2HB GLU 22 HB1 GLU 22 8.189 2.476 -1.261 133 1HG GLU 22 HG2 GLU 22 7.654 0.420 0.360 134 2HG GLU 22 HG1 GLU 22 7.037 -0.275 -1.139 135 H CYS 23 HN CYS 23 3.995 2.758 0.582 136 HA CYS 23 HA CYS 23 2.061 2.747 -1.067 137 1HB CYS 23 HB2 CYS 23 2.838 5.056 0.631 138 2HB CYS 23 HB1 CYS 23 1.484 5.281 -0.473 139 HA PRO 24 HA PRO 24 2.537 3.997 -5.234 140 1HB PRO 24 HB2 PRO 24 0.124 5.655 -4.657 141 2HB PRO 24 HB1 PRO 24 0.388 4.463 -5.945 142 1HG PRO 24 HG2 PRO 24 -1.130 3.989 -3.688 143 2HG PRO 24 HG1 PRO 24 -0.356 2.716 -4.647 144 1HD PRO 24 HD2 PRO 24 0.320 3.640 -1.962 145 2HD PRO 24 HD1 PRO 24 0.912 2.208 -2.826 146 H GLU 25 HN GLU 25 4.446 5.292 -4.601 147 HA GLU 25 HA GLU 25 5.350 7.425 -3.714 148 1HB GLU 25 HB2 GLU 25 4.890 7.040 -6.605 149 2HB GLU 25 HB1 GLU 25 5.306 8.685 -6.121 150 1HG GLU 25 HG2 GLU 25 7.432 7.816 -6.362 151 2HG GLU 25 HG1 GLU 25 7.141 7.404 -4.671 152 H GLY 26 HN GLY 26 3.237 7.955 -2.458 153 1HA GLY 26 HA2 GLY 26 2.560 10.447 -2.169 154 2HA GLY 26 HA1 GLY 26 1.836 10.235 -3.767 155 H TYR 27 HN TYR 27 1.465 7.273 -2.398 156 HA TYR 27 HA TYR 27 -1.353 7.709 -1.933 157 1HB TYR 27 HB2 TYR 27 0.181 5.452 -2.340 158 2HB TYR 27 HB1 TYR 27 -0.297 5.307 -0.643 159 HD1 TYR 27 HD2 TYR 27 -1.882 6.514 -3.824 160 HD2 TYR 27 HD1 TYR 27 -2.277 4.121 -0.278 161 HE1 TYR 27 HE2 TYR 27 -4.167 5.863 -4.522 162 HE2 TYR 27 HE1 TYR 27 -4.566 3.471 -0.983 163 HH TYR 27 HH TYR 27 -5.843 4.346 -4.137 164 H ILE 28 HN ILE 28 1.411 7.050 0.204 165 HA ILE 28 HA ILE 28 1.823 7.937 2.349 166 HB ILE 28 HB ILE 28 -0.254 9.543 1.527 167 1HG1 ILE 28 HG12 ILE 28 0.686 9.707 4.365 168 2HG1 ILE 28 HG11 ILE 28 1.873 9.841 3.062 169 1HG2 ILE 28 HG21 ILE 28 -1.903 8.006 2.617 170 2HG2 ILE 28 HG23 ILE 28 -1.103 8.303 4.161 171 3HG2 ILE 28 HG22 ILE 28 -1.902 9.627 3.312 172 1HD1 ILE 28 HD11 ILE 28 -0.652 11.511 3.253 173 2HD1 ILE 28 HD13 ILE 28 0.943 12.056 3.771 174 3HD1 ILE 28 HD12 ILE 28 0.644 11.693 2.071 175 H LEU 29 HN LEU 29 2.159 6.203 3.644 176 HA LEU 29 HA LEU 29 0.475 3.966 3.928 177 1HB LEU 29 HB2 LEU 29 2.847 5.034 5.264 178 2HB LEU 29 HB1 LEU 29 1.786 4.158 6.376 179 HG LEU 29 HG LEU 29 2.707 3.096 3.698 180 1HD1 LEU 29 HD11 LEU 29 3.693 2.562 6.516 181 2HD1 LEU 29 HD13 LEU 29 4.075 1.528 5.140 182 3HD1 LEU 29 HD12 LEU 29 4.631 3.201 5.167 183 1HD2 LEU 29 HD23 LEU 29 1.121 1.967 6.009 184 2HD2 LEU 29 HD22 LEU 29 0.646 2.067 4.318 185 3HD2 LEU 29 HD21 LEU 29 1.895 0.928 4.813 186 H ASP 30 HN ASP 30 -0.238 3.422 6.406 187 HA ASP 30 HA ASP 30 -1.286 5.199 8.211 188 1HB ASP 30 HB2 ASP 30 -3.711 5.435 7.297 189 2HB ASP 30 HB1 ASP 30 -2.474 6.518 6.656 190 H ASP 31 HN ASP 31 -3.200 4.292 9.436 191 HA ASP 31 HA ASP 31 -4.438 2.482 10.292 192 1HB ASP 31 HB2 ASP 31 -4.298 1.976 7.502 193 2HB ASP 31 HB1 ASP 31 -3.911 0.459 8.315 194 H GLY 32 HN GLY 32 -1.190 2.624 9.799 195 1HA GLY 32 HA2 GLY 32 0.336 1.594 11.387 196 2HA GLY 32 HA1 GLY 32 -0.760 0.217 11.494 197 H PHE 33 HN PHE 33 1.098 1.941 8.987 198 HA PHE 33 HA PHE 33 2.555 1.135 7.358 199 1HB PHE 33 HB2 PHE 33 2.424 -1.211 9.204 200 2HB PHE 33 HB1 PHE 33 3.086 -1.453 7.588 201 HD1 PHE 33 HD2 PHE 33 4.572 0.824 6.891 202 HD2 PHE 33 HD1 PHE 33 4.077 -0.883 10.801 203 HE1 PHE 33 HE2 PHE 33 6.710 1.854 7.611 204 HE2 PHE 33 HE1 PHE 33 6.215 0.146 11.522 205 HZ PHE 33 HZ PHE 33 7.532 1.515 9.926 206 H ILE 34 HN ILE 34 -0.611 0.531 7.516 207 HA ILE 34 HA ILE 34 -0.655 -1.390 5.243 208 HB ILE 34 HB ILE 34 -2.903 -0.164 6.864 209 1HG1 ILE 34 HG12 ILE 34 -2.909 -2.087 8.071 210 2HG1 ILE 34 HG11 ILE 34 -2.776 -3.080 6.621 211 1HG2 ILE 34 HG22 ILE 34 -2.978 -0.972 4.173 212 2HG2 ILE 34 HG21 ILE 34 -3.644 -2.335 5.068 213 3HG2 ILE 34 HG23 ILE 34 -4.365 -0.736 5.231 214 1HD1 ILE 34 HD11 ILE 34 -0.313 -2.574 6.572 215 2HD1 ILE 34 HD13 ILE 34 -0.506 -1.729 8.101 216 3HD1 ILE 34 HD12 ILE 34 -0.813 -3.458 8.011 217 H CYS 35 HN CYS 35 -0.232 -0.439 3.378 218 HA CYS 35 HA CYS 35 -0.324 2.288 2.810 219 1HB CYS 35 HB2 CYS 35 0.663 0.445 1.364 220 2HB CYS 35 HB1 CYS 35 -0.960 0.208 0.713 221 H THR 36 HN THR 36 -2.637 0.669 0.731 222 HA THR 36 HA THR 36 -4.796 1.426 0.160 223 HB THR 36 HB THR 36 -5.095 -0.061 2.200 224 HG1 THR 36 HG1 THR 36 -7.234 1.066 2.647 225 1HG2 THR 36 HG22 THR 36 -5.096 2.657 3.514 226 2HG2 THR 36 HG21 THR 36 -5.882 1.259 4.246 227 3HG2 THR 36 HG23 THR 36 -4.145 1.237 3.946 228 H ASP 37 HN ASP 37 -6.587 3.155 1.368 229 HA ASP 37 HA ASP 37 -5.431 5.540 2.443 230 1HB ASP 37 HB2 ASP 37 -4.416 5.596 0.147 231 2HB ASP 37 HB1 ASP 37 -6.046 5.698 -0.520 232 H ILE 38 HN ILE 38 -7.454 4.959 3.634 233 HA ILE 38 HA ILE 38 -9.772 6.353 2.399 234 HB ILE 38 HB ILE 38 -11.302 4.573 3.202 235 1HG1 ILE 38 HG12 ILE 38 -8.809 2.921 3.675 236 2HG1 ILE 38 HG11 ILE 38 -9.629 3.789 4.977 237 1HG2 ILE 38 HG23 ILE 38 -9.423 4.393 1.029 238 2HG2 ILE 38 HG22 ILE 38 -9.768 2.774 1.635 239 3HG2 ILE 38 HG21 ILE 38 -11.086 3.813 1.096 240 1HD1 ILE 38 HD12 ILE 38 -11.467 2.228 3.308 241 2HD1 ILE 38 HD11 ILE 38 -10.257 1.233 4.118 242 3HD1 ILE 38 HD13 ILE 38 -11.314 2.281 5.064 243 H ASP 39 HN ASP 39 -10.974 7.522 3.902 244 HA ASP 39 HA ASP 39 -9.755 8.051 6.467 245 1HB ASP 39 HB2 ASP 39 -12.134 8.994 4.963 246 2HB ASP 39 HB1 ASP 39 -12.238 9.122 6.722 247 H GLU 40 HN GLU 40 -9.803 6.469 8.013 248 HA GLU 40 HA GLU 40 -11.674 4.362 8.205 249 1HB GLU 40 HB2 GLU 40 -9.422 4.735 9.466 250 2HB GLU 40 HB1 GLU 40 -10.414 5.576 10.658 251 1HG GLU 40 HG2 GLU 40 -11.819 3.215 10.086 252 2HG GLU 40 HG1 GLU 40 -10.129 2.723 10.202 No H/Q in entry = 252 Start of MODEL 14 1 1H GLN 1 HT1 GLN 1 -1.063 -5.156 -2.351 2 2H GLN 1 HT3 GLN 1 -0.272 -6.622 -2.031 3 3H GLN 1 HT2 GLN 1 0.531 -5.149 -1.762 4 HA GLN 1 HA GLN 1 1.447 -5.754 -3.754 5 1HB GLN 1 HB2 GLN 1 -1.251 -7.010 -4.215 6 2HB GLN 1 HB1 GLN 1 -0.169 -6.705 -5.576 7 1HG GLN 1 HG2 GLN 1 1.616 -7.867 -4.008 8 2HG GLN 1 HG1 GLN 1 0.184 -8.569 -3.256 9 1HE2 GLN 1 HE22 GLN 1 -0.764 -10.004 -6.597 10 2HE2 GLN 1 HE21 GLN 1 -1.476 -8.868 -5.556 11 H MET 2 HN MET 2 1.856 -3.905 -4.865 12 HA MET 2 HA MET 2 1.449 -1.999 -6.198 13 1HB MET 2 HB2 MET 2 -0.823 -3.671 -6.638 14 2HB MET 2 HB1 MET 2 -1.400 -2.019 -6.417 15 1HG MET 2 HG2 MET 2 0.646 -1.464 -8.027 16 2HG MET 2 HG1 MET 2 0.393 -3.133 -8.537 17 1HE MET 2 HE2 MET 2 -0.861 -3.811 -10.134 18 2HE MET 2 HE1 MET 2 -2.345 -3.984 -9.201 19 3HE MET 2 HE3 MET 2 -2.377 -3.189 -10.781 20 H PHE 3 HN PHE 3 -0.607 -0.155 -6.084 21 HA PHE 3 HA PHE 3 -0.181 1.095 -3.520 22 1HB PHE 3 HB2 PHE 3 -2.516 1.810 -5.268 23 2HB PHE 3 HB1 PHE 3 -1.434 2.870 -4.367 24 HD1 PHE 3 HD1 PHE 3 1.168 1.469 -5.293 25 HD2 PHE 3 HD2 PHE 3 -2.277 2.920 -7.408 26 HE1 PHE 3 HE1 PHE 3 2.550 1.785 -7.328 27 HE2 PHE 3 HE2 PHE 3 -0.895 3.236 -9.443 28 HZ PHE 3 HZ PHE 3 1.518 2.669 -9.403 29 H CYS 4 HN CYS 4 -0.897 -0.588 -2.002 30 HA CYS 4 HA CYS 4 -3.141 -2.085 -1.824 31 1HB CYS 4 HB2 CYS 4 -1.698 -0.502 0.222 32 2HB CYS 4 HB1 CYS 4 -3.313 -1.043 0.676 33 H ASN 5 HN ASN 5 -4.962 -1.355 -2.960 34 HA ASN 5 HA ASN 5 -6.410 0.914 -1.688 35 1HB ASN 5 HB2 ASN 5 -5.428 1.092 -4.176 36 2HB ASN 5 HB1 ASN 5 -6.917 0.218 -4.551 37 1HD2 ASN 5 HD22 ASN 5 -8.301 3.519 -4.712 38 2HD2 ASN 5 HD21 ASN 5 -7.693 2.230 -5.650 39 H GLN 6 HN GLN 6 -8.750 0.462 -3.236 40 HA GLN 6 HA GLN 6 -10.709 -0.825 -3.196 41 1HB GLN 6 HB2 GLN 6 -9.349 -2.444 -4.460 42 2HB GLN 6 HB1 GLN 6 -8.721 -3.105 -2.950 43 1HG GLN 6 HG2 GLN 6 -10.577 -4.348 -2.616 44 2HG GLN 6 HG1 GLN 6 -11.638 -2.981 -2.959 45 1HE2 GLN 6 HE22 GLN 6 -10.360 -5.129 -6.239 46 2HE2 GLN 6 HE21 GLN 6 -9.264 -4.828 -4.966 47 H THR 7 HN THR 7 -9.429 -3.388 -1.255 48 HA THR 7 HA THR 7 -10.994 -2.346 1.042 49 HB THR 7 HB THR 7 -9.712 -5.075 0.774 50 HG1 THR 7 HG1 THR 7 -11.529 -5.741 -0.217 51 1HG2 THR 7 HG21 THR 7 -12.004 -3.976 2.424 52 2HG2 THR 7 HG23 THR 7 -11.539 -5.677 2.364 53 3HG2 THR 7 HG22 THR 7 -10.425 -4.481 3.026 54 H ALA 8 HN ALA 8 -8.100 -1.665 0.099 55 HA ALA 8 HA ALA 8 -6.087 -1.084 1.135 56 1HB ALA 8 HB1 ALA 8 -8.126 -1.017 3.299 57 2HB ALA 8 HB3 ALA 8 -6.436 -1.020 3.804 58 3HB ALA 8 HB2 ALA 8 -7.036 0.251 2.739 59 H CYS 9 HN CYS 9 -4.331 -2.357 1.412 60 HA CYS 9 HA CYS 9 -4.622 -4.858 3.036 61 1HB CYS 9 HB2 CYS 9 -2.802 -5.727 1.342 62 2HB CYS 9 HB1 CYS 9 -4.509 -5.794 0.899 63 HA PRO 10 HA PRO 10 -0.954 -3.652 4.906 64 1HB PRO 10 HB2 PRO 10 0.551 -6.106 4.590 65 2HB PRO 10 HB1 PRO 10 -0.288 -5.503 6.026 66 1HG PRO 10 HG2 PRO 10 -1.103 -7.658 4.342 67 2HG PRO 10 HG1 PRO 10 -2.005 -6.957 5.695 68 1HD PRO 10 HD2 PRO 10 -2.554 -6.731 2.873 69 2HD PRO 10 HD1 PRO 10 -3.495 -6.088 4.234 70 H ALA 11 HN ALA 11 1.733 -4.467 4.570 71 HA ALA 11 HA ALA 11 2.290 -3.301 1.875 72 1HB ALA 11 HB1 ALA 11 3.129 -2.507 4.470 73 2HB ALA 11 HB3 ALA 11 4.551 -3.141 3.642 74 3HB ALA 11 HB2 ALA 11 3.623 -1.828 2.923 75 H ASP 12 HN ASP 12 2.552 -5.207 0.692 76 HA ASP 12 HA ASP 12 4.599 -7.132 1.703 77 1HB ASP 12 HB2 ASP 12 3.604 -8.521 -0.292 78 2HB ASP 12 HB1 ASP 12 2.687 -8.399 1.214 79 H CYS 13 HN CYS 13 5.622 -4.777 0.741 80 HA CYS 13 HA CYS 13 6.105 -4.349 -1.934 81 1HB CYS 13 HB2 CYS 13 7.871 -4.142 0.481 82 2HB CYS 13 HB1 CYS 13 8.577 -3.880 -1.118 83 H ASP 14 HN ASP 14 6.343 -5.959 -3.403 84 HA ASP 14 HA ASP 14 8.260 -8.164 -2.795 85 1HB ASP 14 HB2 ASP 14 5.649 -8.187 -3.813 86 2HB ASP 14 HB1 ASP 14 6.680 -8.495 -5.215 87 HA PRO 15 HA PRO 15 10.932 -6.758 -5.927 88 1HB PRO 15 HB2 PRO 15 11.478 -9.278 -7.184 89 2HB PRO 15 HB1 PRO 15 12.456 -8.435 -5.974 90 1HG PRO 15 HG2 PRO 15 10.874 -10.815 -5.614 91 2HG PRO 15 HG1 PRO 15 11.861 -9.973 -4.412 92 1HD PRO 15 HD2 PRO 15 8.988 -10.049 -4.594 93 2HD PRO 15 HD1 PRO 15 9.983 -9.207 -3.391 94 H ASN 16 HN ASN 16 8.638 -9.219 -7.117 95 HA ASN 16 HA ASN 16 8.714 -8.112 -9.838 96 1HB ASN 16 HB2 ASN 16 6.979 -10.249 -8.561 97 2HB ASN 16 HB1 ASN 16 6.923 -9.813 -10.269 98 1HD2 ASN 16 HD22 ASN 16 10.150 -11.913 -8.836 99 2HD2 ASN 16 HD21 ASN 16 9.110 -11.115 -7.744 100 H THR 17 HN THR 17 7.520 -6.848 -7.147 101 HA THR 17 HA THR 17 5.594 -5.186 -8.497 102 HB THR 17 HB THR 17 4.231 -7.264 -8.233 103 HG1 THR 17 HG1 THR 17 2.504 -6.193 -7.169 104 1HG2 THR 17 HG21 THR 17 5.426 -7.187 -5.620 105 2HG2 THR 17 HG23 THR 17 3.672 -7.154 -5.462 106 3HG2 THR 17 HG22 THR 17 4.453 -8.462 -6.349 107 H GLN 18 HN GLN 18 7.337 -3.875 -7.387 108 HA GLN 18 HA GLN 18 7.687 -3.725 -4.597 109 1HB GLN 18 HB2 GLN 18 7.912 -1.682 -6.800 110 2HB GLN 18 HB1 GLN 18 8.175 -1.220 -5.118 111 1HG GLN 18 HG2 GLN 18 9.905 -2.956 -4.897 112 2HG GLN 18 HG1 GLN 18 9.636 -3.447 -6.570 113 1HE2 GLN 18 HE22 GLN 18 11.784 -0.059 -5.773 114 2HE2 GLN 18 HE21 GLN 18 10.949 -0.863 -4.520 115 H ALA 19 HN ALA 19 6.385 -0.687 -5.531 116 HA ALA 19 HA ALA 19 4.660 0.515 -4.459 117 1HB ALA 19 HB3 ALA 19 3.560 -0.591 -6.412 118 2HB ALA 19 HB2 ALA 19 3.117 -1.935 -5.360 119 3HB ALA 19 HB1 ALA 19 2.454 -0.328 -5.064 120 H SER 20 HN SER 20 2.369 -1.620 -3.480 121 HA SER 20 HA SER 20 1.711 -2.152 -1.274 122 1HB SER 20 HB2 SER 20 4.394 -3.474 -1.672 123 2HB SER 20 HB1 SER 20 3.439 -3.740 -0.216 124 HG SER 20 HG SER 20 2.977 -4.518 -2.851 125 H CYS 21 HN CYS 21 4.634 -2.425 0.296 126 HA CYS 21 HA CYS 21 4.115 -0.287 2.081 127 1HB CYS 21 HB2 CYS 21 6.217 -0.719 3.073 128 2HB CYS 21 HB1 CYS 21 5.707 -2.281 2.431 129 H GLU 22 HN GLU 22 6.614 1.168 2.168 130 HA GLU 22 HA GLU 22 7.208 3.322 1.368 131 1HB GLU 22 HB2 GLU 22 8.083 3.184 -1.024 132 2HB GLU 22 HB1 GLU 22 8.788 2.023 0.101 133 1HG GLU 22 HG2 GLU 22 7.265 0.288 -0.688 134 2HG GLU 22 HG1 GLU 22 6.473 1.440 -1.760 135 H CYS 23 HN CYS 23 4.438 2.645 1.363 136 HA CYS 23 HA CYS 23 2.518 2.893 -0.209 137 1HB CYS 23 HB2 CYS 23 3.284 5.033 1.707 138 2HB CYS 23 HB1 CYS 23 1.904 5.334 0.651 139 HA PRO 24 HA PRO 24 3.252 4.444 -4.258 140 1HB PRO 24 HB2 PRO 24 0.623 5.762 -3.704 141 2HB PRO 24 HB1 PRO 24 1.120 4.787 -5.102 142 1HG PRO 24 HG2 PRO 24 -0.471 3.824 -3.083 143 2HG PRO 24 HG1 PRO 24 0.580 2.797 -4.069 144 1HD PRO 24 HD2 PRO 24 0.861 3.521 -1.250 145 2HD PRO 24 HD1 PRO 24 1.723 2.275 -2.172 146 H GLU 25 HN GLU 25 4.967 5.858 -3.506 147 HA GLU 25 HA GLU 25 5.660 7.972 -2.406 148 1HB GLU 25 HB2 GLU 25 5.648 9.461 -4.616 149 2HB GLU 25 HB1 GLU 25 6.707 8.061 -4.447 150 1HG GLU 25 HG2 GLU 25 3.985 7.472 -5.453 151 2HG GLU 25 HG1 GLU 25 5.006 8.411 -6.542 152 H GLY 26 HN GLY 26 3.519 8.213 -1.142 153 1HA GLY 26 HA2 GLY 26 2.584 10.559 -0.613 154 2HA GLY 26 HA1 GLY 26 1.943 10.488 -2.258 155 H TYR 27 HN TYR 27 1.842 7.371 -1.179 156 HA TYR 27 HA TYR 27 -1.031 7.456 -0.857 157 1HB TYR 27 HB2 TYR 27 0.835 5.452 -1.390 158 2HB TYR 27 HB1 TYR 27 0.163 5.030 0.192 159 HD1 TYR 27 HD1 TYR 27 -1.131 6.526 -3.004 160 HD2 TYR 27 HD2 TYR 27 -1.688 3.626 0.116 161 HE1 TYR 27 HE1 TYR 27 -3.227 5.763 -4.088 162 HE2 TYR 27 HE2 TYR 27 -3.783 2.862 -0.969 163 HH TYR 27 HH TYR 27 -4.678 3.871 -4.153 164 H ILE 28 HN ILE 28 1.731 7.443 1.284 165 HA ILE 28 HA ILE 28 1.923 7.878 3.563 166 HB ILE 28 HB ILE 28 -0.866 8.805 2.984 167 1HG1 ILE 28 HG12 ILE 28 0.390 10.810 4.239 168 2HG1 ILE 28 HG11 ILE 28 1.810 9.905 3.698 169 1HG2 ILE 28 HG22 ILE 28 0.252 8.130 5.678 170 2HG2 ILE 28 HG21 ILE 28 -0.680 9.619 5.516 171 3HG2 ILE 28 HG23 ILE 28 -1.417 8.068 5.113 172 1HD1 ILE 28 HD12 ILE 28 -0.162 10.078 1.578 173 2HD1 ILE 28 HD11 ILE 28 0.264 11.686 2.163 174 3HD1 ILE 28 HD13 ILE 28 1.523 10.600 1.574 175 H LEU 29 HN LEU 29 2.385 5.960 4.515 176 HA LEU 29 HA LEU 29 0.719 3.675 4.663 177 1HB LEU 29 HB2 LEU 29 3.219 4.602 5.866 178 2HB LEU 29 HB1 LEU 29 2.274 3.604 6.977 179 HG LEU 29 HG LEU 29 2.872 2.837 4.119 180 1HD1 LEU 29 HD13 LEU 29 4.239 1.991 6.691 181 2HD1 LEU 29 HD12 LEU 29 4.486 1.216 5.126 182 3HD1 LEU 29 HD11 LEU 29 4.971 2.895 5.365 183 1HD2 LEU 29 HD23 LEU 29 1.623 1.456 6.503 184 2HD2 LEU 29 HD22 LEU 29 0.938 1.693 4.896 185 3HD2 LEU 29 HD21 LEU 29 2.255 0.545 5.129 186 H ASP 30 HN ASP 30 0.561 3.016 7.377 187 HA ASP 30 HA ASP 30 -0.854 5.119 8.833 188 1HB ASP 30 HB2 ASP 30 -2.436 3.918 7.039 189 2HB ASP 30 HB1 ASP 30 -2.538 2.705 8.316 190 H ASP 31 HN ASP 31 -1.518 4.298 11.010 191 HA ASP 31 HA ASP 31 0.438 2.881 12.361 192 1HB ASP 31 HB2 ASP 31 -1.883 4.007 13.141 193 2HB ASP 31 HB1 ASP 31 -2.353 2.309 13.232 194 H GLY 32 HN GLY 32 1.252 0.967 11.598 195 1HA GLY 32 HA2 GLY 32 0.743 -1.513 11.920 196 2HA GLY 32 HA1 GLY 32 -0.712 -1.201 10.975 197 H PHE 33 HN PHE 33 1.909 0.655 9.904 198 HA PHE 33 HA PHE 33 3.085 0.572 7.878 199 1HB PHE 33 HB2 PHE 33 3.317 -2.223 8.975 200 2HB PHE 33 HB1 PHE 33 3.998 -1.829 7.393 201 HD1 PHE 33 HD1 PHE 33 5.805 -0.163 7.175 202 HD2 PHE 33 HD2 PHE 33 4.266 -1.319 11.015 203 HE1 PHE 33 HE1 PHE 33 7.781 0.858 8.274 204 HE2 PHE 33 HE2 PHE 33 6.241 -0.298 12.114 205 HZ PHE 33 HZ PHE 33 7.998 0.790 10.744 206 H ILE 34 HN ILE 34 0.069 -0.148 8.028 207 HA ILE 34 HA ILE 34 -0.176 -1.832 5.607 208 HB ILE 34 HB ILE 34 -2.371 -0.450 7.166 209 1HG1 ILE 34 HG12 ILE 34 -1.208 -2.048 8.620 210 2HG1 ILE 34 HG11 ILE 34 -2.776 -2.710 8.147 211 1HG2 ILE 34 HG21 ILE 34 -2.654 -1.213 4.702 212 2HG2 ILE 34 HG23 ILE 34 -2.589 -2.853 5.347 213 3HG2 ILE 34 HG22 ILE 34 -3.865 -1.750 5.866 214 1HD1 ILE 34 HD12 ILE 34 -0.207 -3.336 6.674 215 2HD1 ILE 34 HD11 ILE 34 -0.832 -4.333 7.986 216 3HD1 ILE 34 HD13 ILE 34 -1.768 -4.139 6.505 217 H CYS 35 HN CYS 35 -0.341 -0.948 3.630 218 HA CYS 35 HA CYS 35 -0.491 1.996 3.448 219 1HB CYS 35 HB2 CYS 35 1.106 0.459 2.102 220 2HB CYS 35 HB1 CYS 35 -0.307 0.112 1.107 221 H THR 36 HN THR 36 -2.242 3.090 2.502 222 HA THR 36 HA THR 36 -4.314 1.891 0.969 223 HB THR 36 HB THR 36 -5.159 0.618 2.716 224 HG1 THR 36 HG1 THR 36 -6.836 1.950 3.743 225 1HG2 THR 36 HG21 THR 36 -3.863 2.710 4.394 226 2HG2 THR 36 HG23 THR 36 -5.235 1.854 5.097 227 3HG2 THR 36 HG22 THR 36 -3.819 0.954 4.552 228 H ASP 37 HN ASP 37 -6.424 3.369 1.200 229 HA ASP 37 HA ASP 37 -6.019 6.052 2.203 230 1HB ASP 37 HB2 ASP 37 -4.626 5.653 -0.088 231 2HB ASP 37 HB1 ASP 37 -6.190 6.118 -0.761 232 H ILE 38 HN ILE 38 -7.634 4.265 -0.441 233 HA ILE 38 HA ILE 38 -9.969 5.660 -0.738 234 HB ILE 38 HB ILE 38 -9.055 3.229 -1.511 235 1HG1 ILE 38 HG12 ILE 38 -10.931 4.960 -2.330 236 2HG1 ILE 38 HG11 ILE 38 -10.745 3.353 -3.027 237 1HG2 ILE 38 HG23 ILE 38 -9.749 2.119 0.569 238 2HG2 ILE 38 HG22 ILE 38 -11.409 2.655 0.310 239 3HG2 ILE 38 HG21 ILE 38 -10.669 1.507 -0.806 240 1HD1 ILE 38 HD11 ILE 38 -12.609 3.960 -0.714 241 2HD1 ILE 38 HD13 ILE 38 -13.124 3.965 -2.402 242 3HD1 ILE 38 HD12 ILE 38 -12.534 2.476 -1.664 243 H ASP 39 HN ASP 39 -11.570 6.322 0.612 244 HA ASP 39 HA ASP 39 -12.776 6.587 2.615 245 1HB ASP 39 HB2 ASP 39 -13.231 4.058 1.551 246 2HB ASP 39 HB1 ASP 39 -12.855 3.731 3.246 247 H GLU 40 HN GLU 40 -10.765 7.459 3.641 248 HA GLU 40 HA GLU 40 -9.151 5.664 5.276 249 1HB GLU 40 HB2 GLU 40 -8.186 7.787 6.173 250 2HB GLU 40 HB1 GLU 40 -8.157 7.720 4.411 251 1HG GLU 40 HG2 GLU 40 -9.861 9.288 4.184 252 2HG GLU 40 HG1 GLU 40 -10.530 8.942 5.779 No H/Q in entry = 252
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