REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3lh3_1_A DATA FIRST_RESID 37 DATA SEQUENCE FDSTDETPAS YNLAVRRAAP AVVNVYNRGL NXXXXXQLEI RTLGSGVIMD DATA SEQUENCE QRGYIITNKH VINDADQIIV ALQDGRVFEA LLVGSDSLTD LAVLKINATG DATA SEQUENCE GLPTIPINAR RVPHIGDVVL AIGNPYNLGQ TITQGIISAT GRIXXXXTGR DATA SEQUENCE QNFLQTDASI NHGNXGGALV NSLGELMGIN TLSFDKSNDG ETPEGIGFAI DATA SEQUENCE PFQLATKIMD KLIRDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 37 F C 0.000 175.798 175.800 -0.003 0.000 0.967 37 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 37 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 38 D N 2.289 122.809 120.400 0.201 0.000 2.440 38 D HA 0.195 4.842 4.640 0.011 0.000 0.252 38 D C 0.525 176.939 176.300 0.191 0.000 1.180 38 D CA -0.135 53.926 54.000 0.101 0.000 0.894 38 D CB 0.761 41.583 40.800 0.036 0.000 1.111 38 D HN 0.264 8.785 8.370 0.252 0.000 0.544 39 S N 4.472 120.324 115.700 0.252 0.000 2.660 39 S HA 0.033 4.595 4.470 0.153 0.000 0.227 39 S C 1.528 176.184 174.600 0.094 0.000 0.948 39 S CA 0.286 58.598 58.200 0.187 0.000 0.948 39 S CB -0.094 63.247 63.200 0.235 0.000 0.779 39 S HN 0.425 8.894 8.310 0.264 0.000 0.487 40 T N 3.000 117.595 114.554 0.068 0.000 2.803 40 T HA -0.257 4.114 4.350 0.035 0.000 0.269 40 T C 0.424 175.141 174.700 0.028 0.000 1.052 40 T CA 2.860 64.982 62.100 0.037 0.000 1.136 40 T CB -0.200 68.681 68.868 0.021 0.000 0.864 40 T HN -0.496 7.851 8.240 0.069 -0.066 0.467 41 D N -1.108 119.310 120.400 0.029 0.000 2.369 41 D HA 0.166 4.815 4.640 0.014 0.000 0.211 41 D C -0.196 176.113 176.300 0.016 0.000 1.077 41 D CA -0.260 53.751 54.000 0.019 0.000 0.842 41 D CB 0.424 41.233 40.800 0.016 0.000 0.947 41 D HN 0.311 8.688 8.370 0.036 0.016 0.509 42 E N 0.137 120.351 120.200 0.022 0.000 2.392 42 E HA 0.068 4.421 4.350 0.004 0.000 0.259 42 E C -0.690 175.911 176.600 0.002 0.000 1.108 42 E CA 0.411 56.817 56.400 0.010 0.000 0.916 42 E CB 0.785 30.492 29.700 0.013 0.000 0.989 42 E HN -0.672 7.585 8.360 0.034 0.124 0.432 43 T N 3.701 118.249 114.554 -0.011 0.000 2.786 43 T HA 0.275 4.616 4.350 -0.014 0.000 0.283 43 T C -2.018 172.662 174.700 -0.032 0.000 0.992 43 T CA -2.221 59.867 62.100 -0.019 0.000 0.954 43 T CB 0.357 69.211 68.868 -0.023 0.000 0.934 43 T HN 0.062 8.293 8.240 -0.015 0.000 0.440 44 P HA 0.018 4.413 4.420 -0.043 0.000 0.271 44 P C -1.260 175.991 177.300 -0.080 0.000 1.220 44 P CA -0.176 62.896 63.100 -0.047 0.000 0.768 44 P CB 0.525 32.204 31.700 -0.035 0.000 0.848 45 A N 3.462 126.222 122.820 -0.100 0.000 2.540 45 A HA -0.130 4.085 4.320 -0.175 0.000 0.239 45 A C -0.580 176.863 177.584 -0.235 0.000 1.061 45 A CA 0.908 52.843 52.037 -0.170 0.000 0.758 45 A CB -0.051 18.855 19.000 -0.156 0.000 0.991 45 A HN 0.096 8.195 8.150 -0.084 0.000 0.502 46 S N 1.877 117.356 115.700 -0.367 0.000 2.543 46 S HA 0.077 4.349 4.470 -0.330 0.000 0.274 46 S C -1.064 173.230 174.600 -0.510 0.000 1.149 46 S CA -0.153 57.834 58.200 -0.355 0.000 0.866 46 S CB 0.833 63.945 63.200 -0.147 0.000 1.111 46 S HN -0.143 7.922 8.310 -0.408 0.000 0.457 47 Y N 2.271 122.571 120.300 0.000 0.000 2.720 47 Y HA 0.199 4.748 4.550 -0.002 0.000 0.277 47 Y C 0.109 176.008 175.900 -0.001 0.000 1.144 47 Y CA -0.791 57.308 58.100 -0.001 0.000 1.221 47 Y CB -0.161 38.297 38.460 -0.002 0.000 1.163 47 Y HN 0.215 8.450 8.280 -0.075 0.000 0.537 48 N N 1.693 120.435 118.700 0.070 0.000 2.205 48 N HA -0.363 4.413 4.740 0.060 0.000 0.186 48 N C 1.042 176.579 175.510 0.046 0.000 1.015 48 N CA 3.353 56.433 53.050 0.050 0.000 0.862 48 N CB 0.306 38.804 38.487 0.018 0.000 0.986 48 N HN -0.452 7.872 8.380 0.015 0.065 0.429 49 L N -0.603 120.647 121.223 0.045 0.000 2.012 49 L HA -0.280 4.076 4.340 0.026 0.000 0.210 49 L C 0.998 177.894 176.870 0.042 0.000 1.073 49 L CA 2.992 57.854 54.840 0.037 0.000 0.748 49 L CB -0.434 41.645 42.059 0.034 0.000 0.891 49 L HN -0.184 8.055 8.230 0.042 0.016 0.431 50 A N -2.310 120.550 122.820 0.067 0.000 1.902 50 A HA -0.399 3.937 4.320 0.028 0.000 0.217 50 A C 2.134 179.738 177.584 0.032 0.000 1.181 50 A CA 2.967 55.032 52.037 0.046 0.000 0.623 50 A CB -0.910 18.124 19.000 0.055 0.000 0.818 50 A HN -0.603 7.606 8.150 0.098 0.000 0.443 51 V N -1.492 118.449 119.914 0.046 0.000 2.261 51 V HA -0.630 3.506 4.120 0.027 0.000 0.246 51 V C 2.390 178.499 176.094 0.024 0.000 1.047 51 V CA 4.305 66.625 62.300 0.034 0.000 1.015 51 V CB -0.345 31.504 31.823 0.043 0.000 0.642 51 V HN -0.673 7.477 8.190 0.065 0.079 0.446 52 R N -1.203 119.311 120.500 0.024 0.000 2.105 52 R HA -0.313 4.038 4.340 0.018 0.000 0.239 52 R C 2.246 178.554 176.300 0.013 0.000 1.135 52 R CA 3.368 59.479 56.100 0.018 0.000 0.967 52 R CB -0.344 29.966 30.300 0.017 0.000 0.861 52 R HN -0.110 8.177 8.270 0.028 0.000 0.442 53 R N -3.585 116.922 120.500 0.011 0.000 2.093 53 R HA -0.135 4.207 4.340 0.003 0.000 0.224 53 R C 0.822 177.121 176.300 -0.002 0.000 1.101 53 R CA 2.723 58.825 56.100 0.003 0.000 0.979 53 R CB 0.352 30.651 30.300 -0.001 0.000 0.877 53 R HN -0.556 7.704 8.270 0.014 0.018 0.441 54 A N -3.470 119.349 122.820 -0.001 0.000 1.984 54 A HA 0.195 4.508 4.320 -0.011 0.000 0.203 54 A C 1.394 178.978 177.584 -0.000 0.000 1.292 54 A CA 1.202 53.235 52.037 -0.007 0.000 0.782 54 A CB 0.628 19.619 19.000 -0.017 0.000 0.924 54 A HN -0.476 7.676 8.150 0.003 0.000 0.475 55 A N -0.243 122.581 122.820 0.006 0.000 1.940 55 A HA -0.093 4.231 4.320 0.007 0.000 0.219 55 A C -1.056 176.536 177.584 0.015 0.000 1.176 55 A CA 4.261 56.304 52.037 0.010 0.000 0.631 55 A CB -2.311 16.698 19.000 0.015 0.000 0.814 55 A HN -0.061 8.094 8.150 0.008 0.000 0.446 56 P HA -0.202 4.234 4.420 0.027 0.000 0.222 56 P C -0.443 176.872 177.300 0.024 0.000 1.147 56 P CA 1.635 64.749 63.100 0.023 0.000 0.790 56 P CB -0.307 31.406 31.700 0.022 0.000 0.780 57 A N -5.156 117.673 122.820 0.015 0.000 2.275 57 A HA 0.171 4.501 4.320 0.017 0.000 0.212 57 A C -1.587 176.004 177.584 0.012 0.000 1.201 57 A CA -0.634 51.411 52.037 0.013 0.000 0.843 57 A CB 0.876 19.879 19.000 0.005 0.000 0.873 57 A HN -0.519 7.605 8.150 0.011 0.033 0.492 58 V N 0.272 120.193 119.914 0.011 0.000 2.383 58 V HA 0.521 4.815 4.120 0.003 -0.172 0.275 58 V C -0.389 175.711 176.094 0.010 0.000 1.036 58 V CA -0.240 62.063 62.300 0.005 0.000 0.889 58 V CB 0.933 32.755 31.823 -0.002 0.000 0.985 58 V HN -0.714 7.323 8.190 0.012 0.160 0.459 59 V N 0.662 120.579 119.914 0.006 0.000 2.881 59 V HA 0.587 4.807 4.120 0.032 -0.081 0.316 59 V C -1.236 174.839 176.094 -0.031 0.000 1.070 59 V CA -3.514 58.794 62.300 0.015 0.000 0.976 59 V CB 2.797 34.643 31.823 0.038 0.000 1.038 59 V HN 0.535 8.724 8.190 -0.001 0.000 0.446 60 N N 2.038 120.715 118.700 -0.038 0.000 2.444 60 N HA 0.195 4.918 4.740 -0.226 -0.119 0.271 60 N C -0.666 174.675 175.510 -0.283 0.000 1.069 60 N CA -1.032 51.900 53.050 -0.197 0.000 0.965 60 N CB 0.512 38.894 38.487 -0.175 0.000 1.092 60 N HN -0.093 8.297 8.380 0.017 0.000 0.476 61 V N 3.920 123.611 119.914 -0.373 0.000 2.398 61 V HA 0.356 4.565 4.120 -0.118 -0.160 0.286 61 V C -1.222 174.622 176.094 -0.416 0.000 1.026 61 V CA -0.708 61.441 62.300 -0.252 0.000 0.868 61 V CB 1.349 33.098 31.823 -0.122 0.000 0.982 61 V HN 0.048 7.910 8.190 -0.364 0.109 0.443 62 Y N 6.312 126.626 120.300 0.023 0.000 2.328 62 Y HA 0.205 4.767 4.550 0.020 0.000 0.337 62 Y C -1.273 174.642 175.900 0.025 0.000 0.966 62 Y CA -1.448 56.665 58.100 0.023 0.000 1.136 62 Y CB 1.863 40.337 38.460 0.024 0.000 1.170 62 Y HN 0.853 9.221 8.280 0.146 0.000 0.470 63 N N 4.888 123.673 118.700 0.143 0.000 2.415 63 N HA 0.138 4.935 4.740 0.094 0.000 0.246 63 N C -1.375 174.203 175.510 0.113 0.000 1.078 63 N CA -0.719 52.393 53.050 0.104 0.000 0.942 63 N CB 0.621 39.151 38.487 0.071 0.000 1.140 63 N HN 0.262 8.712 8.380 0.115 0.000 0.501 64 R N 5.617 126.175 120.500 0.097 0.000 2.474 64 R HA 0.859 5.417 4.340 0.076 -0.172 0.295 64 R C -0.669 175.662 176.300 0.052 0.000 0.980 64 R CA -1.212 54.931 56.100 0.072 0.000 0.934 64 R CB 3.282 33.616 30.300 0.056 0.000 1.101 64 R HN 0.308 8.634 8.270 0.093 0.000 0.469 65 G N -0.289 108.537 108.800 0.043 0.000 2.619 65 G HA2 0.779 4.925 3.960 0.033 0.000 0.296 65 G HA3 0.779 4.760 3.960 0.036 0.000 0.296 65 G C -2.497 172.419 174.900 0.026 0.000 1.334 65 G CA -1.321 43.799 45.100 0.034 0.000 0.934 65 G HN 0.469 8.785 8.290 0.043 0.000 0.476 66 L N 0.544 121.780 121.223 0.021 0.000 2.477 66 L HA 0.016 4.552 4.340 0.014 -0.188 0.272 66 L C -0.149 176.730 176.870 0.015 0.000 1.157 66 L CA 0.307 55.157 54.840 0.016 0.000 0.889 66 L CB -0.099 41.968 42.059 0.014 0.000 1.158 66 L HN -0.062 8.445 8.230 0.022 -0.264 0.473 74 L N -1.181 120.043 121.223 0.002 0.000 2.614 74 L HA 0.393 4.905 4.340 0.010 -0.167 0.264 74 L C -2.561 174.310 176.870 0.003 0.000 0.940 74 L CA 0.706 55.549 54.840 0.005 0.000 0.903 74 L CB 1.714 43.774 42.059 0.002 0.000 1.306 74 L HN -0.211 8.019 8.230 -0.001 0.000 0.410 75 E N 5.038 125.246 120.200 0.012 0.000 2.423 75 E HA 0.537 4.889 4.350 0.004 0.000 0.269 75 E C -2.679 173.941 176.600 0.033 0.000 0.948 75 E CA -1.877 54.532 56.400 0.015 0.000 0.802 75 E CB 4.543 34.254 29.700 0.019 0.000 1.339 75 E HN 0.514 8.885 8.360 0.018 0.000 0.445 76 I N 0.637 121.234 120.570 0.045 0.000 2.312 76 I HA 0.065 4.411 4.170 0.101 -0.115 0.291 76 I C 0.297 176.471 176.117 0.095 0.000 1.031 76 I CA 0.603 61.958 61.300 0.091 0.000 1.293 76 I CB 0.122 38.199 38.000 0.129 0.000 1.403 76 I HN 0.251 8.483 8.210 0.037 0.000 0.484 77 R N 7.121 127.677 120.500 0.095 0.000 2.048 77 R HA 0.226 4.611 4.340 0.074 0.000 0.221 77 R C 0.654 177.014 176.300 0.100 0.000 1.174 77 R CA 0.470 56.620 56.100 0.083 0.000 0.971 77 R CB 1.028 31.370 30.300 0.069 0.000 0.863 77 R HN 0.778 9.107 8.270 0.098 0.000 0.439 78 T N -1.386 113.229 114.554 0.101 0.000 2.887 78 T HA 0.282 4.712 4.350 0.133 0.000 0.288 78 T C -2.312 172.428 174.700 0.066 0.000 1.021 78 T CA -0.648 61.511 62.100 0.098 0.000 1.000 78 T CB 2.803 71.717 68.868 0.077 0.000 1.034 78 T HN -0.691 7.606 8.240 0.095 0.000 0.467 79 L N 0.356 121.589 121.223 0.016 0.000 2.354 79 L HA 1.074 5.482 4.340 -0.122 -0.141 0.264 79 L C -1.141 175.605 176.870 -0.207 0.000 1.008 79 L CA -1.935 52.842 54.840 -0.106 0.000 0.819 79 L CB 3.309 45.311 42.059 -0.096 0.000 1.339 79 L HN 0.283 8.535 8.230 0.037 0.000 0.420 80 G N -0.710 107.942 108.800 -0.247 0.000 2.871 80 G HA2 0.378 4.337 3.960 -0.248 0.000 0.282 80 G HA3 0.378 4.227 3.960 -0.184 0.000 0.282 80 G C -2.105 172.668 174.900 -0.213 0.000 1.212 80 G CA -0.107 44.859 45.100 -0.223 0.000 0.812 80 G HN 0.298 8.413 8.290 -0.291 0.000 0.547 81 S N -1.112 114.500 115.700 -0.147 0.000 2.667 81 S HA 1.013 5.564 4.470 -0.132 -0.161 0.292 81 S C -0.818 173.739 174.600 -0.071 0.000 1.126 81 S CA -1.568 56.565 58.200 -0.112 0.000 0.881 81 S CB 4.194 67.341 63.200 -0.087 0.000 1.132 81 S HN 0.061 8.296 8.310 -0.126 0.000 0.492 82 G N -1.781 106.992 108.800 -0.045 0.000 2.684 82 G HA2 0.807 5.055 3.960 -0.016 0.000 0.290 82 G HA3 0.807 4.757 3.960 -0.016 0.000 0.290 82 G C -3.201 171.696 174.900 -0.006 0.000 1.425 82 G CA -0.120 44.968 45.100 -0.020 0.000 0.822 82 G HN -0.023 8.241 8.290 -0.044 0.000 0.482 83 V N 0.427 120.344 119.914 0.006 0.000 2.483 83 V HA 0.444 4.716 4.120 0.007 -0.148 0.297 83 V C -0.704 175.400 176.094 0.017 0.000 1.027 83 V CA -1.505 60.801 62.300 0.011 0.000 0.855 83 V CB 3.082 34.914 31.823 0.014 0.000 0.995 83 V HN 0.430 8.626 8.190 0.010 0.000 0.424 84 I N 8.222 128.799 120.570 0.012 0.000 2.505 84 I HA -0.171 4.007 4.170 0.012 0.000 0.287 84 I C -0.062 176.066 176.117 0.019 0.000 1.104 84 I CA 1.515 62.821 61.300 0.010 0.000 1.387 84 I CB -0.371 37.626 38.000 -0.005 0.000 1.404 84 I HN 0.589 8.804 8.210 0.010 0.000 0.528 85 M N 6.475 126.099 119.600 0.039 0.000 2.486 85 M HA -0.024 4.474 4.480 0.031 0.000 0.264 85 M C -0.196 176.131 176.300 0.044 0.000 1.125 85 M CA -0.543 54.783 55.300 0.044 0.000 1.144 85 M CB 0.128 32.763 32.600 0.058 0.000 1.353 85 M HN 0.426 8.749 8.290 0.054 0.000 0.466 86 D N -5.710 114.722 120.400 0.055 0.000 2.665 86 D HA 0.108 4.766 4.640 0.030 0.000 0.287 86 D C -0.105 176.210 176.300 0.025 0.000 1.266 86 D CA -0.917 53.111 54.000 0.047 0.000 0.830 86 D CB 0.461 41.305 40.800 0.073 0.000 1.356 86 D HN -0.866 7.540 8.370 0.061 0.000 0.437 87 Q N -2.803 117.006 119.800 0.014 0.000 2.437 87 Q HA -0.176 4.148 4.340 -0.027 0.000 0.210 87 Q C 0.777 176.755 176.000 -0.036 0.000 0.972 87 Q CA 1.740 57.535 55.803 -0.013 0.000 0.903 87 Q CB -0.331 28.404 28.738 -0.006 0.000 0.967 87 Q HN 0.382 8.665 8.270 0.022 0.000 0.486 88 R N -3.305 117.192 120.500 -0.006 0.000 2.235 88 R HA -0.160 4.142 4.340 -0.063 0.000 0.213 88 R C 0.495 176.655 176.300 -0.233 0.000 1.059 88 R CA 0.990 57.056 56.100 -0.057 0.000 0.997 88 R CB 0.716 31.077 30.300 0.100 0.000 0.884 88 R HN -0.565 7.873 8.270 0.044 -0.142 0.462 89 G N -4.150 104.533 108.800 -0.195 0.000 2.138 89 G HA2 -0.372 3.454 3.960 -0.223 0.000 0.193 89 G HA3 -0.372 3.382 3.960 -0.343 0.000 0.193 89 G C -0.787 173.937 174.900 -0.293 0.000 0.998 89 G CA -0.342 44.592 45.100 -0.277 0.000 0.668 89 G HN -0.488 7.707 8.290 -0.098 0.036 0.516 90 Y N 0.614 120.879 120.300 -0.060 0.000 2.335 90 Y HA 0.259 4.973 4.550 -0.044 -0.190 0.331 90 Y C -0.918 174.960 175.900 -0.037 0.000 1.094 90 Y CA 0.507 58.581 58.100 -0.043 0.000 1.253 90 Y CB 0.943 39.385 38.460 -0.030 0.000 1.203 90 Y HN -1.040 7.428 8.280 0.026 -0.172 0.508 91 I N 2.088 122.734 120.570 0.128 0.000 2.509 91 I HA 0.560 4.959 4.170 0.054 -0.196 0.293 91 I C -0.814 175.340 176.117 0.061 0.000 1.020 91 I CA -1.757 59.580 61.300 0.063 0.000 1.088 91 I CB 3.845 41.858 38.000 0.021 0.000 1.267 91 I HN 0.181 8.478 8.210 0.146 0.000 0.430 92 I N 6.536 127.131 120.570 0.042 0.000 2.385 92 I HA 0.631 4.984 4.170 0.029 -0.166 0.294 92 I C -0.676 175.450 176.117 0.015 0.000 0.988 92 I CA -0.803 60.514 61.300 0.029 0.000 1.265 92 I CB 1.738 39.755 38.000 0.028 0.000 1.388 92 I HN 0.226 8.459 8.210 0.039 0.000 0.480 93 T N 5.416 119.974 114.554 0.007 0.000 2.647 93 T HA 0.415 4.760 4.350 -0.008 0.000 0.295 93 T C -1.789 172.905 174.700 -0.011 0.000 1.126 93 T CA -2.849 59.247 62.100 -0.006 0.000 1.040 93 T CB 1.475 70.336 68.868 -0.013 0.000 1.472 93 T HN 0.359 8.603 8.240 0.006 0.000 0.500 94 N N -0.122 118.567 118.700 -0.018 0.000 2.492 94 N HA 0.359 5.216 4.740 -0.031 -0.136 0.289 94 N C 0.134 175.611 175.510 -0.055 0.000 1.133 94 N CA -0.238 52.795 53.050 -0.028 0.000 0.961 94 N CB 1.943 40.430 38.487 0.000 0.000 1.186 94 N HN 0.370 8.737 8.380 -0.023 0.000 0.493 95 K N 2.243 122.565 120.400 -0.130 0.000 2.097 95 K HA -0.336 3.925 4.320 -0.098 0.000 0.205 95 K C 1.211 177.727 176.600 -0.139 0.000 1.050 95 K CA 3.037 59.223 56.287 -0.168 0.000 0.938 95 K CB 0.101 32.439 32.500 -0.270 0.000 0.718 95 K HN -0.192 8.076 8.250 -0.162 -0.115 0.442 96 H N -2.161 116.914 119.070 0.008 0.000 2.457 96 H HA -0.139 4.630 4.556 0.013 -0.206 0.294 96 H C 2.164 177.492 175.328 -0.000 0.000 1.064 96 H CA 2.587 58.640 56.048 0.008 0.000 1.330 96 H CB -0.262 29.506 29.762 0.011 0.000 1.395 96 H HN -0.573 7.539 8.280 -0.279 0.000 0.541 97 V N -3.483 116.478 119.914 0.079 0.000 2.358 97 V HA -0.272 3.861 4.120 0.021 0.000 0.246 97 V C 0.776 176.885 176.094 0.026 0.000 1.047 97 V CA 2.949 65.263 62.300 0.023 0.000 1.035 97 V CB 0.269 32.075 31.823 -0.028 0.000 0.658 97 V HN -0.734 7.470 8.190 0.054 0.018 0.452 98 I N -9.904 110.679 120.570 0.021 0.000 3.883 98 I HA 0.061 4.249 4.170 0.030 0.000 0.326 98 I C -0.782 175.355 176.117 0.033 0.000 1.283 98 I CA -1.996 59.319 61.300 0.025 0.000 1.161 98 I CB 0.014 38.023 38.000 0.015 0.000 1.012 98 I HN -0.949 7.268 8.210 0.012 0.000 0.421 99 N N 2.009 120.735 118.700 0.044 0.000 2.412 99 N HA -0.228 4.533 4.740 0.036 0.000 0.258 99 N C -0.745 174.794 175.510 0.048 0.000 1.236 99 N CA 1.550 54.629 53.050 0.049 0.000 0.882 99 N CB 0.330 38.866 38.487 0.082 0.000 1.066 99 N HN -0.652 7.760 8.380 0.053 0.000 0.465 100 D N -3.890 116.534 120.400 0.039 0.000 2.837 100 D HA -0.355 4.304 4.640 0.032 0.000 0.230 100 D C -1.562 174.761 176.300 0.037 0.000 1.152 100 D CA 1.048 55.070 54.000 0.036 0.000 0.736 100 D CB -1.673 39.150 40.800 0.038 0.000 1.084 100 D HN 0.337 8.728 8.370 0.035 0.000 0.429 101 A N -2.805 120.038 122.820 0.038 0.000 2.363 101 A HA -0.078 4.383 4.320 0.044 -0.115 0.270 101 A C -0.236 177.369 177.584 0.036 0.000 1.121 101 A CA -0.481 51.581 52.037 0.041 0.000 0.800 101 A CB 0.958 19.985 19.000 0.046 0.000 1.052 101 A HN -0.708 7.444 8.150 0.037 0.020 0.493 102 D N 1.972 122.393 120.400 0.036 0.000 2.194 102 D HA -0.064 4.592 4.640 0.028 0.000 0.204 102 D C 0.343 176.663 176.300 0.033 0.000 0.964 102 D CA 2.205 56.223 54.000 0.031 0.000 0.846 102 D CB 1.066 41.882 40.800 0.027 0.000 0.962 102 D HN 0.003 8.396 8.370 0.038 0.000 0.490 103 Q N -1.850 117.974 119.800 0.040 0.000 2.281 103 Q HA 0.245 4.610 4.340 0.042 0.000 0.263 103 Q C -2.449 173.588 176.000 0.061 0.000 0.989 103 Q CA -0.195 55.634 55.803 0.045 0.000 0.852 103 Q CB 3.311 32.072 28.738 0.039 0.000 1.337 103 Q HN -0.728 7.569 8.270 0.044 0.000 0.418 104 I N 7.135 127.743 120.570 0.064 0.000 2.315 104 I HA 0.532 4.937 4.170 0.092 -0.179 0.291 104 I C -1.266 174.913 176.117 0.103 0.000 1.006 104 I CA -0.704 60.645 61.300 0.081 0.000 1.265 104 I CB 1.180 39.217 38.000 0.062 0.000 1.387 104 I HN 0.615 8.858 8.210 0.056 0.000 0.475 105 I N 7.460 128.120 120.570 0.151 0.000 2.441 105 I HA 0.584 4.989 4.170 0.149 -0.145 0.295 105 I C -1.292 174.967 176.117 0.236 0.000 0.994 105 I CA -2.674 58.736 61.300 0.184 0.000 1.144 105 I CB 2.258 40.363 38.000 0.176 0.000 1.314 105 I HN 0.443 8.760 8.210 0.179 0.000 0.445 106 V N 6.751 126.796 119.914 0.219 0.000 2.448 106 V HA 0.546 4.946 4.120 0.176 -0.174 0.295 106 V C -2.209 174.033 176.094 0.248 0.000 1.025 106 V CA -2.003 60.423 62.300 0.210 0.000 0.859 106 V CB 3.420 35.346 31.823 0.172 0.000 0.988 106 V HN 0.641 8.960 8.190 0.216 0.000 0.431 107 A N 7.281 130.244 122.820 0.238 0.000 2.304 107 A HA 0.762 5.331 4.320 0.167 -0.148 0.314 107 A C -1.842 175.835 177.584 0.155 0.000 1.187 107 A CA -2.145 50.016 52.037 0.206 0.000 0.810 107 A CB 2.681 21.855 19.000 0.291 0.000 1.183 107 A HN 0.663 8.940 8.150 0.211 0.000 0.487 108 L N 2.478 123.788 121.223 0.145 0.000 2.439 108 L HA 0.150 4.554 4.340 0.106 0.000 0.259 108 L C 1.784 178.703 176.870 0.082 0.000 1.129 108 L CA -0.515 54.396 54.840 0.119 0.000 0.803 108 L CB 1.464 43.615 42.059 0.153 0.000 1.161 108 L HN 0.347 8.663 8.230 0.145 0.000 0.462 109 Q N 1.843 121.682 119.800 0.065 0.000 2.436 109 Q HA -0.249 4.122 4.340 0.052 0.000 0.209 109 Q C 0.354 176.380 176.000 0.043 0.000 0.965 109 Q CA 2.472 58.305 55.803 0.050 0.000 0.910 109 Q CB -0.584 28.178 28.738 0.040 0.000 0.980 109 Q HN 0.891 9.198 8.270 0.063 0.000 0.491 110 D N -5.169 115.259 120.400 0.047 0.000 2.340 110 D HA -0.050 4.608 4.640 0.031 0.000 0.220 110 D C 0.718 177.032 176.300 0.024 0.000 1.039 110 D CA -0.540 53.482 54.000 0.037 0.000 0.866 110 D CB -0.802 40.024 40.800 0.043 0.000 0.913 110 D HN -0.485 7.877 8.370 0.058 0.043 0.523 111 G N -0.369 108.445 108.800 0.023 0.000 2.218 111 G HA2 -0.410 3.552 3.960 0.004 0.000 0.216 111 G HA3 -0.410 3.546 3.960 -0.007 0.000 0.216 111 G C -0.396 174.481 174.900 -0.038 0.000 0.994 111 G CA -0.293 44.806 45.100 -0.002 0.000 0.637 111 G HN -0.571 7.692 8.290 0.035 0.048 0.505 112 R N 1.051 121.526 120.500 -0.041 0.000 2.490 112 R HA 0.051 4.255 4.340 -0.227 0.000 0.280 112 R C -1.300 174.870 176.300 -0.216 0.000 1.077 112 R CA 0.397 56.393 56.100 -0.173 0.000 1.065 112 R CB 1.227 31.448 30.300 -0.131 0.000 1.003 112 R HN -0.302 8.213 8.270 0.004 -0.243 0.470 113 V N 1.669 121.332 119.914 -0.419 0.000 2.588 113 V HA 0.726 4.967 4.120 -0.091 -0.176 0.304 113 V C -0.704 175.087 176.094 -0.506 0.000 1.042 113 V CA -1.221 60.916 62.300 -0.272 0.000 0.877 113 V CB 2.586 34.322 31.823 -0.145 0.000 0.996 113 V HN 0.040 7.925 8.190 -0.510 0.000 0.425 114 F N 5.058 125.024 119.950 0.026 0.000 2.576 114 F HA 0.356 4.887 4.527 0.008 0.000 0.313 114 F C -1.404 174.408 175.800 0.021 0.000 1.078 114 F CA -1.477 56.532 58.000 0.015 0.000 0.921 114 F CB 4.641 43.645 39.000 0.007 0.000 1.232 114 F HN 0.666 9.079 8.300 0.189 0.000 0.459 115 E N 3.024 123.349 120.200 0.210 0.000 2.259 115 E HA 0.235 4.783 4.350 0.118 -0.127 0.281 115 E C -1.318 175.353 176.600 0.119 0.000 1.037 115 E CA -0.401 56.078 56.400 0.130 0.000 0.854 115 E CB 1.272 31.022 29.700 0.082 0.000 1.051 115 E HN 0.406 8.889 8.360 0.204 0.000 0.409 116 A N 6.490 129.364 122.820 0.090 0.000 2.312 116 A HA 0.556 5.039 4.320 0.030 -0.145 0.326 116 A C -1.624 175.981 177.584 0.034 0.000 1.172 116 A CA -1.562 50.505 52.037 0.050 0.000 0.821 116 A CB 2.395 21.426 19.000 0.051 0.000 1.166 116 A HN 0.420 8.626 8.150 0.092 0.000 0.493 117 L N 0.807 122.038 121.223 0.013 0.000 2.309 117 L HA 0.374 4.728 4.340 0.023 0.000 0.282 117 L C -0.851 176.034 176.870 0.025 0.000 1.036 117 L CA -1.585 53.265 54.840 0.017 0.000 0.806 117 L CB 2.779 44.842 42.059 0.007 0.000 1.220 117 L HN -0.081 8.146 8.230 -0.005 0.000 0.429 118 L N 4.451 125.691 121.223 0.029 0.000 2.385 118 L HA -0.027 4.333 4.340 0.035 0.000 0.281 118 L C 0.068 176.963 176.870 0.041 0.000 1.106 118 L CA 0.720 55.580 54.840 0.033 0.000 0.856 118 L CB -0.759 41.315 42.059 0.025 0.000 1.186 118 L HN 0.282 8.528 8.230 0.027 0.000 0.453 119 V N 6.385 126.336 119.914 0.061 0.000 2.407 119 V HA -0.020 4.147 4.120 0.078 0.000 0.245 119 V C -0.411 175.707 176.094 0.040 0.000 1.041 119 V CA 1.753 64.100 62.300 0.077 0.000 1.040 119 V CB 0.686 32.597 31.823 0.147 0.000 0.671 119 V HN 0.346 8.577 8.190 0.068 0.000 0.455 120 G N -4.886 103.929 108.800 0.025 0.000 2.368 120 G HA2 0.147 4.110 3.960 0.004 0.000 0.293 120 G HA3 0.147 4.106 3.960 -0.002 0.000 0.293 120 G C -3.607 171.289 174.900 -0.006 0.000 1.467 120 G CA -0.130 44.973 45.100 0.004 0.000 0.804 120 G HN -0.879 7.428 8.290 0.029 0.000 0.535 121 S N -1.652 114.037 115.700 -0.018 0.000 2.556 121 S HA 0.527 5.084 4.470 -0.033 -0.107 0.271 121 S C -2.141 172.435 174.600 -0.039 0.000 1.135 121 S CA -1.213 56.967 58.200 -0.032 0.000 0.858 121 S CB 3.440 66.616 63.200 -0.040 0.000 1.114 121 S HN -0.089 8.211 8.310 -0.017 0.000 0.468 122 D N 0.676 121.046 120.400 -0.050 0.000 2.505 122 D HA 0.404 5.019 4.640 -0.042 0.000 0.250 122 D C 0.309 176.573 176.300 -0.059 0.000 1.164 122 D CA -1.447 52.523 54.000 -0.049 0.000 0.870 122 D CB 2.306 43.077 40.800 -0.048 0.000 1.160 122 D HN -0.037 8.299 8.370 -0.056 0.000 0.549 123 S N 6.094 121.764 115.700 -0.050 0.000 2.428 123 S HA -0.208 4.215 4.470 -0.079 0.000 0.230 123 S C 1.047 175.629 174.600 -0.031 0.000 1.014 123 S CA 1.959 60.130 58.200 -0.048 0.000 0.957 123 S CB 0.051 63.238 63.200 -0.023 0.000 0.784 123 S HN 0.347 8.633 8.310 -0.040 0.000 0.499 124 L N 0.203 121.406 121.223 -0.034 0.000 2.042 124 L HA -0.184 4.139 4.340 -0.027 0.000 0.210 124 L C 0.671 177.512 176.870 -0.048 0.000 1.076 124 L CA 2.071 56.889 54.840 -0.037 0.000 0.749 124 L CB 0.308 42.340 42.059 -0.046 0.000 0.893 124 L HN -0.720 7.635 8.230 -0.036 -0.147 0.432 125 T N -8.679 105.843 114.554 -0.054 0.000 3.001 125 T HA -0.004 4.297 4.350 -0.082 0.000 0.251 125 T C 0.301 174.990 174.700 -0.018 0.000 1.040 125 T CA -0.390 61.675 62.100 -0.059 0.000 0.985 125 T CB 1.211 70.035 68.868 -0.073 0.000 1.011 125 T HN -0.767 7.442 8.240 -0.053 0.000 0.509 126 D N 0.114 120.489 120.400 -0.041 0.000 3.090 126 D HA -0.312 4.228 4.640 -0.166 0.000 0.215 126 D C -1.817 174.440 176.300 -0.072 0.000 1.140 126 D CA 1.497 55.448 54.000 -0.082 0.000 0.937 126 D CB -1.163 39.640 40.800 0.005 0.000 1.108 126 D HN -0.043 8.294 8.370 -0.054 0.000 0.420 127 L N -2.443 118.750 121.223 -0.050 0.000 2.360 127 L HA 0.411 4.860 4.340 -0.025 -0.124 0.271 127 L C -1.608 175.235 176.870 -0.046 0.000 1.057 127 L CA -0.693 54.126 54.840 -0.034 0.000 0.803 127 L CB 2.223 44.270 42.059 -0.020 0.000 1.207 127 L HN -0.988 7.176 8.230 -0.049 0.037 0.445 128 A N -0.539 122.263 122.820 -0.030 0.000 2.515 128 A HA 0.757 5.177 4.320 -0.025 -0.116 0.298 128 A C -2.279 175.306 177.584 0.001 0.000 1.059 128 A CA -1.420 50.604 52.037 -0.021 0.000 0.698 128 A CB 3.807 22.791 19.000 -0.027 0.000 1.289 128 A HN 0.198 8.335 8.150 -0.021 0.000 0.404 129 V N 0.752 120.675 119.914 0.015 0.000 2.513 129 V HA 0.939 5.296 4.120 0.051 -0.207 0.299 129 V C -0.852 175.286 176.094 0.074 0.000 1.035 129 V CA -2.004 60.326 62.300 0.050 0.000 0.889 129 V CB 2.313 34.164 31.823 0.046 0.000 0.988 129 V HN 0.141 8.338 8.190 0.011 0.000 0.440 130 L N 4.314 125.590 121.223 0.089 0.000 2.286 130 L HA 0.932 5.477 4.340 0.058 -0.170 0.265 130 L C -1.241 175.664 176.870 0.059 0.000 1.012 130 L CA -2.156 52.722 54.840 0.063 0.000 0.818 130 L CB 3.675 45.753 42.059 0.031 0.000 1.337 130 L HN 0.648 8.934 8.230 0.094 0.000 0.438 131 K N 0.203 120.585 120.400 -0.030 0.000 2.535 131 K HA 0.638 4.987 4.320 -0.274 -0.194 0.250 131 K C -1.425 175.071 176.600 -0.173 0.000 0.948 131 K CA -0.868 55.308 56.287 -0.185 0.000 0.796 131 K CB 2.570 34.931 32.500 -0.230 0.000 1.216 131 K HN -0.079 8.159 8.250 -0.020 0.000 0.432 132 I N 0.562 120.982 120.570 -0.251 0.000 3.133 132 I HA 0.528 4.597 4.170 -0.168 0.000 0.311 132 I C -1.645 174.266 176.117 -0.342 0.000 1.072 132 I CA -2.999 58.134 61.300 -0.277 0.000 1.015 132 I CB 3.222 40.969 38.000 -0.422 0.000 1.233 132 I HN 0.002 8.032 8.210 -0.300 0.000 0.473 133 N N 0.970 119.469 118.700 -0.334 0.000 2.434 133 N HA -0.202 4.435 4.740 -0.171 0.000 0.268 133 N C -0.341 174.959 175.510 -0.350 0.000 1.256 133 N CA 1.029 53.934 53.050 -0.242 0.000 0.914 133 N CB 0.260 38.735 38.487 -0.021 0.000 1.088 133 N HN 0.288 8.504 8.380 -0.274 0.000 0.478 134 A N 5.949 128.632 122.820 -0.229 0.000 2.132 134 A HA -0.001 4.173 4.320 -0.244 0.000 0.213 134 A C -0.171 177.353 177.584 -0.100 0.000 1.154 134 A CA 0.106 52.028 52.037 -0.191 0.000 0.753 134 A CB 0.774 19.680 19.000 -0.157 0.000 0.826 134 A HN 0.307 8.345 8.150 -0.188 0.000 0.469 135 T N 1.595 116.114 114.554 -0.058 0.000 2.902 135 T HA -0.253 4.090 4.350 -0.013 0.000 0.301 135 T C 0.414 175.130 174.700 0.027 0.000 1.012 135 T CA 2.359 64.454 62.100 -0.009 0.000 1.151 135 T CB 0.075 68.948 68.868 0.008 0.000 0.946 135 T HN -0.828 7.507 8.240 -0.064 -0.133 0.542 136 G N 3.788 112.604 108.800 0.027 0.000 2.201 136 G HA2 -0.149 3.835 3.960 0.041 0.000 0.212 136 G HA3 -0.149 3.856 3.960 0.076 0.000 0.212 136 G C -0.498 174.426 174.900 0.040 0.000 0.994 136 G CA -0.509 44.620 45.100 0.048 0.000 0.644 136 G HN 0.449 8.748 8.290 0.015 0.000 0.508 137 G N -0.107 108.702 108.800 0.015 0.000 2.767 137 G HA2 -0.325 3.632 3.960 -0.004 0.000 0.686 137 G HA3 -0.325 3.644 3.960 0.016 0.000 0.686 137 G C -2.194 172.712 174.900 0.010 0.000 1.213 137 G CA -0.358 44.747 45.100 0.008 0.000 0.803 137 G HN -0.544 7.697 8.290 0.001 0.050 0.603 138 L N 2.052 123.270 121.223 -0.008 0.000 2.388 138 L HA 0.387 4.734 4.340 0.012 0.000 0.264 138 L C -2.558 174.313 176.870 0.002 0.000 0.998 138 L CA -3.258 51.576 54.840 -0.009 0.000 0.817 138 L CB 3.078 45.102 42.059 -0.059 0.000 1.338 138 L HN -0.337 8.106 8.230 -0.012 -0.221 0.414 139 P HA 0.137 4.563 4.420 0.010 0.000 0.275 139 P C -1.562 175.740 177.300 0.004 0.000 1.227 139 P CA -0.498 62.609 63.100 0.012 0.000 0.781 139 P CB 0.304 32.017 31.700 0.021 0.000 0.906 140 T N -2.340 112.215 114.554 0.002 0.000 2.924 140 T HA 0.126 4.596 4.350 0.001 -0.120 0.291 140 T C -0.150 174.548 174.700 -0.003 0.000 1.045 140 T CA -2.602 59.498 62.100 0.000 0.000 1.015 140 T CB 3.165 72.034 68.868 0.002 0.000 1.103 140 T HN -0.259 7.982 8.240 0.002 0.000 0.496 141 I N 1.855 122.422 120.570 -0.005 0.000 2.529 141 I HA 0.161 4.320 4.170 -0.017 0.000 0.284 141 I C -2.049 174.050 176.117 -0.031 0.000 1.082 141 I CA -2.795 58.495 61.300 -0.017 0.000 1.406 141 I CB 1.383 39.373 38.000 -0.016 0.000 1.405 141 I HN -0.231 7.979 8.210 -0.000 0.000 0.548 142 P HA 0.076 4.467 4.420 -0.047 0.000 0.271 142 P C -1.810 175.427 177.300 -0.105 0.000 1.220 142 P CA -0.214 62.850 63.100 -0.061 0.000 0.768 142 P CB 0.478 32.142 31.700 -0.059 0.000 0.848 143 I N 2.372 122.879 120.570 -0.104 0.000 2.499 143 I HA 0.156 4.162 4.170 -0.273 0.000 0.288 143 I C -1.297 174.735 176.117 -0.142 0.000 1.048 143 I CA -0.511 60.690 61.300 -0.165 0.000 1.062 143 I CB 3.362 41.316 38.000 -0.077 0.000 1.238 143 I HN -0.010 8.156 8.210 -0.073 0.000 0.426 144 N N 7.422 125.982 118.700 -0.233 0.000 2.621 144 N HA 0.119 4.821 4.740 -0.064 0.000 0.237 144 N C 0.079 175.563 175.510 -0.043 0.000 0.997 144 N CA -1.466 51.509 53.050 -0.124 0.000 0.918 144 N CB 0.199 38.613 38.487 -0.122 0.000 1.122 144 N HN 0.253 8.402 8.380 -0.385 0.000 0.510 145 A N 5.167 128.038 122.820 0.084 0.000 2.172 145 A HA -0.064 4.544 4.320 0.479 0.000 0.216 145 A C 0.856 178.558 177.584 0.197 0.000 1.154 145 A CA 2.075 54.256 52.037 0.240 0.000 0.701 145 A CB -0.025 19.064 19.000 0.149 0.000 0.789 145 A HN 0.753 8.936 8.150 0.054 0.000 0.465 146 R N -4.811 115.757 120.500 0.114 0.000 2.334 146 R HA 0.093 4.483 4.340 0.083 0.000 0.212 146 R C -0.260 176.090 176.300 0.083 0.000 0.897 146 R CA -0.384 55.766 56.100 0.083 0.000 1.056 146 R CB 0.886 31.214 30.300 0.047 0.000 1.046 146 R HN -0.528 7.989 8.270 0.078 -0.201 0.513 147 R N 1.891 122.447 120.500 0.094 0.000 2.401 147 R HA -0.141 4.211 4.340 0.020 0.000 0.299 147 R C -0.711 175.644 176.300 0.092 0.000 1.064 147 R CA 0.152 56.282 56.100 0.051 0.000 1.000 147 R CB -0.104 30.179 30.300 -0.028 0.000 0.973 147 R HN -0.662 7.644 8.270 0.096 0.022 0.438 148 V N 8.395 128.283 119.914 -0.043 0.000 2.364 148 V HA 0.161 4.256 4.120 -0.040 0.000 0.272 148 V C -1.695 174.171 176.094 -0.381 0.000 1.036 148 V CA -2.987 59.224 62.300 -0.149 0.000 0.880 148 V CB 1.040 32.766 31.823 -0.161 0.000 0.991 148 V HN 0.096 8.245 8.190 -0.069 0.000 0.460 149 P HA -0.031 4.310 4.420 -0.132 0.000 0.267 149 P C -1.549 175.609 177.300 -0.237 0.000 1.205 149 P CA -0.175 62.838 63.100 -0.146 0.000 0.765 149 P CB 0.523 32.239 31.700 0.027 0.000 0.828 150 H N 3.552 122.648 119.070 0.043 0.000 2.524 150 H HA 0.239 4.813 4.556 0.030 0.000 0.353 150 H C 0.078 175.419 175.328 0.021 0.000 1.136 150 H CA -1.888 54.177 56.048 0.029 0.000 1.193 150 H CB 3.488 33.264 29.762 0.022 0.000 1.558 150 H HN 0.013 8.554 8.280 -0.048 -0.289 0.515 151 I N 2.614 123.278 120.570 0.157 0.000 2.752 151 I HA -0.620 3.719 4.170 0.065 -0.129 0.289 151 I C 1.365 177.521 176.117 0.066 0.000 1.197 151 I CA 2.287 63.636 61.300 0.082 0.000 1.432 151 I CB -0.544 37.491 38.000 0.059 0.000 1.359 151 I HN 0.629 8.940 8.210 0.169 0.000 0.571 152 G N 6.969 115.792 108.800 0.039 0.000 2.234 152 G HA2 -0.406 3.561 3.960 0.013 0.000 0.235 152 G HA3 -0.406 3.570 3.960 0.028 0.000 0.235 152 G C -0.406 174.510 174.900 0.026 0.000 0.997 152 G CA -0.526 44.589 45.100 0.026 0.000 0.623 152 G HN 0.586 8.893 8.290 0.029 0.000 0.514 153 D N 2.775 123.201 120.400 0.043 0.000 2.493 153 D HA -0.088 4.572 4.640 0.034 0.000 0.240 153 D C 0.043 176.329 176.300 -0.023 0.000 1.142 153 D CA 1.420 55.436 54.000 0.026 0.000 0.872 153 D CB 0.349 41.169 40.800 0.034 0.000 1.173 153 D HN -0.353 7.993 8.370 0.064 0.061 0.467 154 V N 2.905 122.786 119.914 -0.054 0.000 2.599 154 V HA -0.061 4.134 4.120 -0.133 -0.154 0.300 154 V C -0.117 175.873 176.094 -0.174 0.000 1.034 154 V CA 1.222 63.434 62.300 -0.147 0.000 1.115 154 V CB 0.106 31.785 31.823 -0.241 0.000 0.934 154 V HN 0.259 8.429 8.190 -0.033 0.000 0.485 155 V N 0.399 120.206 119.914 -0.179 0.000 2.962 155 V HA 0.931 5.121 4.120 -0.149 -0.160 0.313 155 V C -1.612 174.382 176.094 -0.166 0.000 1.099 155 V CA -3.199 59.012 62.300 -0.148 0.000 0.971 155 V CB 3.879 35.653 31.823 -0.081 0.000 1.028 155 V HN 0.290 8.268 8.190 -0.173 0.108 0.430 156 L N 0.954 122.098 121.223 -0.132 0.000 2.341 156 L HA 0.866 5.348 4.340 -0.103 -0.204 0.278 156 L C -0.893 175.942 176.870 -0.058 0.000 1.005 156 L CA -2.107 52.675 54.840 -0.098 0.000 0.818 156 L CB 2.585 44.595 42.059 -0.080 0.000 1.259 156 L HN 0.564 8.725 8.230 -0.115 0.000 0.418 157 A N 3.527 126.320 122.820 -0.045 0.000 2.309 157 A HA 0.796 5.268 4.320 -0.030 -0.170 0.298 157 A C -1.286 176.284 177.584 -0.023 0.000 1.165 157 A CA -1.699 50.319 52.037 -0.032 0.000 0.821 157 A CB 1.971 20.950 19.000 -0.034 0.000 1.102 157 A HN 0.495 8.617 8.150 -0.047 0.000 0.500 158 I N 2.378 122.936 120.570 -0.020 0.000 2.447 158 I HA 0.766 5.134 4.170 -0.011 -0.205 0.287 158 I C -0.728 175.376 176.117 -0.023 0.000 1.023 158 I CA -1.364 59.927 61.300 -0.015 0.000 1.083 158 I CB 2.359 40.352 38.000 -0.011 0.000 1.245 158 I HN 0.209 8.407 8.210 -0.021 0.000 0.434 159 G N 5.093 113.878 108.800 -0.026 0.000 2.490 159 G HA2 0.234 4.166 3.960 -0.046 0.000 0.308 159 G HA3 0.234 4.160 3.960 -0.057 0.000 0.308 159 G C -3.383 171.490 174.900 -0.044 0.000 1.286 159 G CA 0.596 45.669 45.100 -0.045 0.000 0.825 159 G HN -0.269 8.010 8.290 -0.018 0.000 0.479 160 N N 0.460 119.116 118.700 -0.073 0.000 2.904 160 N HA 0.670 5.396 4.740 -0.025 0.000 0.257 160 N C -2.061 173.401 175.510 -0.080 0.000 1.363 160 N CA -3.685 49.329 53.050 -0.060 0.000 0.856 160 N CB 1.963 40.398 38.487 -0.086 0.000 1.166 160 N HN -0.162 8.159 8.380 -0.099 0.000 0.499 161 P HA 0.206 4.667 4.420 -0.266 -0.200 0.276 161 P C 0.019 177.322 177.300 0.006 0.000 1.235 161 P CA -0.171 62.846 63.100 -0.138 0.000 0.772 161 P CB 0.318 31.978 31.700 -0.067 0.000 0.871 162 Y N -0.365 119.988 120.300 0.088 0.000 3.978 162 Y HA -0.518 4.120 4.550 0.146 0.000 0.219 162 Y C -1.011 174.938 175.900 0.081 0.000 1.153 162 Y CA 1.203 59.364 58.100 0.102 0.000 1.718 162 Y CB -2.472 36.032 38.460 0.073 0.000 1.541 162 Y HN 0.207 8.237 8.280 -0.417 0.000 0.640 163 N N -3.239 115.552 118.700 0.151 0.000 2.721 163 N HA -0.355 4.600 4.740 0.106 -0.151 0.249 163 N C 0.472 176.063 175.510 0.135 0.000 1.072 163 N CA 1.018 54.151 53.050 0.138 0.000 0.710 163 N CB -0.704 37.886 38.487 0.172 0.000 0.993 163 N HN -0.306 8.089 8.380 0.084 0.034 0.547 164 L N -2.151 119.150 121.223 0.130 0.000 2.395 164 L HA -0.103 4.298 4.340 0.102 0.000 0.218 164 L C 0.913 177.832 176.870 0.082 0.000 1.130 164 L CA 1.089 55.993 54.840 0.107 0.000 0.826 164 L CB 0.381 42.509 42.059 0.114 0.000 0.941 164 L HN -0.445 7.848 8.230 0.137 0.018 0.451 165 G N -3.105 105.741 108.800 0.077 0.000 2.555 165 G HA2 -0.296 3.710 3.960 0.071 0.000 0.686 165 G HA3 -0.296 3.701 3.960 0.061 0.000 0.686 165 G C -2.254 172.672 174.900 0.044 0.000 1.275 165 G CA -0.917 44.221 45.100 0.064 0.000 0.871 165 G HN -0.481 8.102 8.290 0.078 -0.246 0.603 166 Q N 1.855 121.676 119.800 0.035 0.000 2.283 166 Q HA -0.190 4.349 4.340 0.010 -0.193 0.301 166 Q C -0.335 175.680 176.000 0.025 0.000 1.063 166 Q CA 1.496 57.312 55.803 0.021 0.000 0.952 166 Q CB 0.528 29.279 28.738 0.022 0.000 1.166 166 Q HN 0.358 8.652 8.270 0.040 0.000 0.381 167 T N 9.061 123.625 114.554 0.017 0.000 2.848 167 T HA 0.247 4.615 4.350 0.029 0.000 0.285 167 T C -1.786 172.923 174.700 0.015 0.000 0.995 167 T CA -0.817 61.297 62.100 0.023 0.000 0.970 167 T CB 1.980 70.866 68.868 0.030 0.000 0.976 167 T HN 0.583 8.828 8.240 0.008 0.000 0.441 168 I N 5.262 125.845 120.570 0.020 0.000 2.354 168 I HA 0.757 5.132 4.170 0.007 -0.200 0.292 168 I C 0.158 176.285 176.117 0.017 0.000 0.989 168 I CA -2.360 58.950 61.300 0.016 0.000 1.188 168 I CB 0.422 38.438 38.000 0.027 0.000 1.342 168 I HN 0.347 8.572 8.210 0.026 0.000 0.457 169 T N 4.508 119.063 114.554 0.003 0.000 2.916 169 T HA 0.373 4.730 4.350 0.012 0.000 0.292 169 T C -1.989 172.697 174.700 -0.023 0.000 1.055 169 T CA -2.108 59.992 62.100 -0.000 0.000 1.009 169 T CB 2.591 71.458 68.868 -0.002 0.000 1.118 169 T HN 0.178 8.414 8.240 -0.006 0.000 0.497 170 Q N 3.876 123.660 119.800 -0.026 0.000 2.356 170 Q HA 0.750 5.200 4.340 -0.102 -0.171 0.270 170 Q C -1.176 174.786 176.000 -0.063 0.000 1.058 170 Q CA -1.101 54.661 55.803 -0.067 0.000 0.802 170 Q CB 3.576 32.283 28.738 -0.051 0.000 1.303 170 Q HN 0.067 8.331 8.270 -0.010 0.000 0.444 171 G N 4.485 113.230 108.800 -0.092 0.000 2.871 171 G HA2 0.728 4.654 3.960 -0.057 0.000 0.282 171 G HA3 0.728 4.832 3.960 -0.067 -0.183 0.282 171 G C -2.628 172.220 174.900 -0.086 0.000 1.212 171 G CA 0.063 45.119 45.100 -0.073 0.000 0.812 171 G HN 0.480 8.698 8.290 -0.120 0.000 0.547 172 I N -5.802 114.729 120.570 -0.065 0.000 3.174 172 I HA 0.906 5.204 4.170 -0.064 -0.166 0.313 172 I C -0.886 175.206 176.117 -0.041 0.000 1.155 172 I CA -2.613 58.655 61.300 -0.053 0.000 0.977 172 I CB 4.503 42.483 38.000 -0.033 0.000 1.248 172 I HN 0.569 9.078 8.210 -0.060 -0.335 0.453 173 I N 1.841 122.399 120.570 -0.020 0.000 2.494 173 I HA -0.047 4.246 4.170 -0.010 -0.129 0.289 173 I C 0.440 176.556 176.117 -0.002 0.000 1.106 173 I CA 1.017 62.316 61.300 -0.002 0.000 1.369 173 I CB -0.726 37.288 38.000 0.024 0.000 1.410 173 I HN 0.090 8.291 8.210 -0.015 0.000 0.523 174 S N 9.381 125.070 115.700 -0.018 0.000 2.458 174 S HA -0.017 4.440 4.470 -0.021 0.000 0.223 174 S C -0.903 173.698 174.600 0.001 0.000 1.019 174 S CA 1.057 59.242 58.200 -0.024 0.000 0.937 174 S CB 0.634 63.794 63.200 -0.066 0.000 0.788 174 S HN 0.714 8.893 8.310 -0.030 0.112 0.511 175 A N -2.272 120.564 122.820 0.026 0.000 2.583 175 A HA 0.307 4.656 4.320 0.047 0.000 0.292 175 A C -2.870 174.764 177.584 0.083 0.000 1.045 175 A CA 0.128 52.197 52.037 0.054 0.000 0.672 175 A CB 1.716 20.752 19.000 0.060 0.000 1.283 175 A HN -0.892 7.275 8.150 0.029 0.000 0.419 176 T N -2.978 111.626 114.554 0.083 0.000 2.916 176 T HA 0.434 4.961 4.350 0.112 -0.110 0.292 176 T C 0.512 175.262 174.700 0.083 0.000 1.055 176 T CA -2.207 59.947 62.100 0.089 0.000 1.009 176 T CB 2.587 71.494 68.868 0.065 0.000 1.118 176 T HN -0.025 8.258 8.240 0.072 0.000 0.497 177 G N 0.385 109.230 108.800 0.076 0.000 2.160 177 G HA2 -0.420 3.749 3.960 0.014 0.000 0.251 177 G HA3 -0.420 3.557 3.960 0.029 0.000 0.251 177 G C -0.046 174.889 174.900 0.059 0.000 1.008 177 G CA 0.459 45.584 45.100 0.042 0.000 0.724 177 G HN 0.004 8.428 8.290 0.079 -0.086 0.514 178 R N -0.817 119.764 120.500 0.134 0.000 2.490 178 R HA 0.207 4.611 4.340 0.107 0.000 0.278 178 R C -0.159 176.215 176.300 0.122 0.000 1.069 178 R CA -0.778 55.416 56.100 0.155 0.000 1.080 178 R CB 0.869 31.337 30.300 0.281 0.000 1.030 178 R HN -0.560 7.822 8.270 0.187 0.000 0.491 185 G N 3.642 112.442 108.800 -0.000 0.000 2.351 185 G HA2 0.051 4.002 3.960 -0.014 0.000 0.296 185 G HA3 0.051 4.011 3.960 0.001 0.000 0.296 185 G C -1.938 172.945 174.900 -0.029 0.000 1.685 185 G CA 0.771 45.865 45.100 -0.010 0.000 0.936 185 G HN 0.088 8.375 8.290 -0.004 0.000 0.714 186 R N -0.477 119.990 120.500 -0.055 0.000 2.629 186 R HA 0.205 4.511 4.340 -0.057 0.000 0.386 186 R C -0.344 175.882 176.300 -0.123 0.000 1.071 186 R CA -0.465 55.593 56.100 -0.070 0.000 1.104 186 R CB 0.143 30.407 30.300 -0.059 0.000 1.370 186 R HN 0.254 8.487 8.270 -0.062 0.000 0.574 187 Q N 0.678 120.370 119.800 -0.181 0.000 2.443 187 Q HA 0.037 4.192 4.340 -0.308 0.000 0.232 187 Q C -1.140 174.620 176.000 -0.399 0.000 1.026 187 Q CA -0.006 55.582 55.803 -0.358 0.000 0.924 187 Q CB 1.093 29.482 28.738 -0.583 0.000 1.256 187 Q HN -0.140 8.040 8.270 -0.149 0.000 0.519 188 N N 0.201 118.610 118.700 -0.485 0.000 2.399 188 N HA 0.373 5.127 4.740 -0.215 -0.143 0.280 188 N C -1.689 173.592 175.510 -0.382 0.000 1.008 188 N CA -0.861 51.998 53.050 -0.318 0.000 0.894 188 N CB 1.648 40.025 38.487 -0.183 0.000 1.273 188 N HN 0.102 8.173 8.380 -0.514 0.000 0.486 189 F N 2.246 122.203 119.950 0.010 0.000 2.577 189 F HA 0.481 5.182 4.527 0.067 -0.134 0.318 189 F C -0.475 175.392 175.800 0.112 0.000 1.065 189 F CA -2.075 55.970 58.000 0.075 0.000 0.929 189 F CB 4.490 43.564 39.000 0.123 0.000 1.237 189 F HN 0.049 8.492 8.300 0.093 -0.087 0.468 190 L N 0.255 121.692 121.223 0.357 0.000 2.326 190 L HA 0.255 4.841 4.340 0.195 -0.128 0.278 190 L C -0.983 176.035 176.870 0.246 0.000 1.092 190 L CA -0.756 54.224 54.840 0.233 0.000 0.810 190 L CB 0.786 42.937 42.059 0.153 0.000 1.153 190 L HN 0.398 8.845 8.230 0.361 0.000 0.439 191 Q N 3.665 123.557 119.800 0.153 0.000 2.245 191 Q HA 0.767 5.210 4.340 -0.139 -0.186 0.256 191 Q C -0.867 175.075 176.000 -0.097 0.000 0.942 191 Q CA -1.391 54.393 55.803 -0.033 0.000 0.896 191 Q CB 3.235 31.959 28.738 -0.024 0.000 1.272 191 Q HN 0.289 8.643 8.270 0.139 0.000 0.442 192 T N 3.878 118.313 114.554 -0.198 0.000 2.894 192 T HA 0.671 5.117 4.350 -0.100 -0.156 0.309 192 T C -1.696 172.906 174.700 -0.163 0.000 1.208 192 T CA -2.581 59.438 62.100 -0.135 0.000 1.016 192 T CB 1.527 70.342 68.868 -0.089 0.000 1.192 192 T HN 0.473 8.523 8.240 -0.316 0.000 0.491 193 D N 4.809 125.141 120.400 -0.113 0.000 2.402 193 D HA 0.222 4.855 4.640 -0.116 -0.062 0.216 193 D C -0.166 176.091 176.300 -0.072 0.000 1.128 193 D CA -1.743 52.198 54.000 -0.097 0.000 0.833 193 D CB -0.250 40.505 40.800 -0.075 0.000 0.971 193 D HN 0.012 8.327 8.370 -0.092 0.000 0.503 194 A N 1.196 123.972 122.820 -0.074 0.000 2.491 194 A HA -0.146 4.294 4.320 -0.050 -0.149 0.261 194 A C -0.496 177.057 177.584 -0.050 0.000 1.101 194 A CA 0.760 52.762 52.037 -0.058 0.000 0.772 194 A CB 0.416 19.379 19.000 -0.062 0.000 1.043 194 A HN -0.731 7.319 8.150 -0.081 0.051 0.501 195 S N 2.559 118.241 115.700 -0.030 0.000 2.546 195 S HA -0.122 4.335 4.470 -0.021 0.000 0.290 195 S C -0.991 173.599 174.600 -0.017 0.000 1.262 195 S CA 0.882 59.073 58.200 -0.016 0.000 1.083 195 S CB 0.026 63.230 63.200 0.007 0.000 0.859 195 S HN 0.238 8.534 8.310 -0.023 0.000 0.495 196 I N 7.493 128.049 120.570 -0.023 0.000 2.466 196 I HA 0.143 4.417 4.170 -0.035 -0.125 0.289 196 I C -1.835 174.268 176.117 -0.024 0.000 1.026 196 I CA -1.068 60.212 61.300 -0.033 0.000 1.078 196 I CB 1.841 39.812 38.000 -0.050 0.000 1.249 196 I HN 0.303 8.499 8.210 -0.023 0.000 0.429 197 N N 4.616 123.284 118.700 -0.054 0.000 2.629 197 N HA 0.308 5.032 4.740 -0.027 0.000 0.279 197 N C -1.457 173.934 175.510 -0.199 0.000 1.344 197 N CA -1.620 51.376 53.050 -0.089 0.000 0.789 197 N CB 4.259 42.702 38.487 -0.074 0.000 1.508 197 N HN 0.055 8.702 8.380 -0.073 -0.311 0.516 198 H N 0.523 119.362 119.070 -0.385 0.000 3.157 198 H HA -0.283 4.139 4.556 -0.223 0.000 0.299 198 H C 0.512 175.575 175.328 -0.440 0.000 0.961 198 H CA 2.526 58.347 56.048 -0.377 0.000 1.428 198 H CB 0.447 29.992 29.762 -0.362 0.000 1.459 198 H HN 0.520 8.692 8.280 -0.180 0.000 0.566 199 G N 6.078 114.516 108.800 -0.603 0.000 2.307 199 G HA2 -0.453 3.420 3.960 -0.415 0.000 0.210 199 G HA3 -0.453 3.467 3.960 -0.326 -0.156 0.210 199 G C -0.670 174.080 174.900 -0.250 0.000 1.005 199 G CA -0.132 44.732 45.100 -0.393 0.000 0.634 199 G HN 0.484 8.367 8.290 -0.679 0.000 0.496 203 G N 0.749 109.535 108.800 -0.024 0.000 2.543 203 G HA2 0.477 4.424 3.960 -0.022 0.000 0.290 203 G HA3 0.477 4.554 3.960 -0.031 -0.136 0.290 203 G C -2.273 172.625 174.900 -0.003 0.000 1.310 203 G CA -1.104 43.983 45.100 -0.021 0.000 1.025 203 G HN -0.502 7.770 8.290 -0.030 0.000 0.502 204 A N -2.207 120.609 122.820 -0.006 0.000 2.312 204 A HA 0.561 5.009 4.320 0.012 -0.121 0.328 204 A C -2.190 175.392 177.584 -0.004 0.000 1.158 204 A CA -1.659 50.378 52.037 0.001 0.000 0.821 204 A CB 2.783 21.779 19.000 -0.006 0.000 1.170 204 A HN -0.194 7.949 8.150 -0.012 0.000 0.490 205 L N 3.658 124.883 121.223 0.005 0.000 2.325 205 L HA 0.885 5.411 4.340 -0.019 -0.197 0.281 205 L C -1.737 175.121 176.870 -0.020 0.000 1.004 205 L CA -1.171 53.665 54.840 -0.006 0.000 0.823 205 L CB 3.298 45.365 42.059 0.014 0.000 1.236 205 L HN 0.061 8.302 8.230 0.018 0.000 0.415 206 V N 1.460 121.348 119.914 -0.043 0.000 3.001 206 V HA 1.002 5.231 4.120 -0.073 -0.153 0.314 206 V C -1.717 174.332 176.094 -0.075 0.000 1.099 206 V CA -3.779 58.483 62.300 -0.063 0.000 0.989 206 V CB 3.956 35.744 31.823 -0.058 0.000 1.040 206 V HN 0.509 8.671 8.190 -0.047 0.000 0.434 207 N N 1.295 119.947 118.700 -0.080 0.000 2.431 207 N HA 0.471 5.324 4.740 -0.095 -0.170 0.289 207 N C 1.914 177.385 175.510 -0.065 0.000 1.277 207 N CA -1.601 51.401 53.050 -0.079 0.000 0.972 207 N CB 0.880 39.330 38.487 -0.062 0.000 1.143 207 N HN -0.137 8.190 8.380 -0.089 0.000 0.578 208 S N -0.812 114.862 115.700 -0.043 0.000 2.507 208 S HA -0.167 4.323 4.470 0.034 0.000 0.235 208 S C 0.713 175.345 174.600 0.054 0.000 0.988 208 S CA 2.339 60.562 58.200 0.037 0.000 0.944 208 S CB -0.737 62.540 63.200 0.129 0.000 0.762 208 S HN 0.387 8.673 8.310 -0.041 0.000 0.526 209 L N -2.177 119.052 121.223 0.011 0.000 2.567 209 L HA 0.159 4.510 4.340 0.018 0.000 0.225 209 L C 0.707 177.569 176.870 -0.014 0.000 1.119 209 L CA -0.020 54.822 54.840 0.002 0.000 0.871 209 L CB 0.181 42.232 42.059 -0.012 0.000 1.036 209 L HN -0.643 7.775 8.230 -0.009 -0.193 0.459 210 G N -2.121 106.664 108.800 -0.024 0.000 2.157 210 G HA2 -0.465 3.477 3.960 -0.030 0.000 0.248 210 G HA3 -0.465 3.481 3.960 -0.024 0.000 0.248 210 G C -0.493 174.366 174.900 -0.068 0.000 0.979 210 G CA -0.070 45.010 45.100 -0.034 0.000 0.650 210 G HN -0.140 8.031 8.290 -0.026 0.104 0.529 211 E N -0.225 119.917 120.200 -0.097 0.000 2.338 211 E HA -0.170 4.227 4.350 -0.163 -0.145 0.272 211 E C -0.677 175.797 176.600 -0.209 0.000 1.029 211 E CA -0.362 55.937 56.400 -0.168 0.000 0.872 211 E CB 0.881 30.462 29.700 -0.198 0.000 1.015 211 E HN -0.695 7.781 8.360 -0.086 -0.168 0.417 212 L N 4.649 125.712 121.223 -0.267 0.000 2.477 212 L HA -0.180 4.080 4.340 -0.133 0.000 0.272 212 L C -0.812 175.855 176.870 -0.340 0.000 1.157 212 L CA 1.227 55.930 54.840 -0.228 0.000 0.889 212 L CB 0.279 42.243 42.059 -0.158 0.000 1.158 212 L HN -0.022 8.042 8.230 -0.277 0.000 0.473 213 M N 4.007 123.555 119.600 -0.087 0.000 2.615 213 M HA 0.176 4.742 4.480 0.143 0.000 0.262 213 M C -0.025 176.437 176.300 0.269 0.000 1.198 213 M CA 0.045 55.405 55.300 0.101 0.000 1.165 213 M CB 1.850 34.481 32.600 0.053 0.000 1.310 213 M HN 0.675 8.936 8.290 -0.049 0.000 0.494 214 G N -4.008 104.889 108.800 0.163 0.000 2.495 214 G HA2 0.278 4.469 3.960 0.205 0.000 0.294 214 G HA3 0.278 4.329 3.960 0.159 0.004 0.294 214 G C -3.001 171.966 174.900 0.112 0.000 1.397 214 G CA 0.439 45.639 45.100 0.166 0.000 0.790 214 G HN -0.539 7.810 8.290 0.098 0.000 0.486 215 I N -1.017 119.622 120.570 0.115 0.000 2.355 215 I HA 0.578 4.966 4.170 0.063 -0.180 0.288 215 I C -0.661 175.512 176.117 0.093 0.000 0.999 215 I CA -3.577 57.774 61.300 0.085 0.000 1.163 215 I CB 0.437 38.483 38.000 0.078 0.000 1.316 215 I HN -0.003 8.287 8.210 0.133 0.000 0.454 216 N N 8.551 127.285 118.700 0.056 0.000 2.468 216 N HA -0.042 4.856 4.740 0.056 -0.124 0.265 216 N C -0.039 175.499 175.510 0.048 0.000 1.199 216 N CA 1.391 54.466 53.050 0.042 0.000 0.928 216 N CB 0.353 38.841 38.487 0.002 0.000 1.059 216 N HN 0.066 8.468 8.380 0.037 0.000 0.467 217 T N 4.007 118.599 114.554 0.064 0.000 3.177 217 T HA 0.374 4.948 4.350 0.074 -0.179 0.262 217 T C -0.358 174.376 174.700 0.056 0.000 0.959 217 T CA 0.637 62.787 62.100 0.084 0.000 0.996 217 T CB 2.289 71.265 68.868 0.181 0.000 1.185 217 T HN 0.416 8.690 8.240 0.057 0.000 0.486 218 L N 0.411 121.651 121.223 0.028 0.000 2.371 218 L HA 0.346 4.718 4.340 0.054 0.000 0.262 218 L C -2.108 174.814 176.870 0.087 0.000 1.006 218 L CA -0.927 53.947 54.840 0.058 0.000 0.818 218 L CB 4.075 46.152 42.059 0.029 0.000 1.354 218 L HN -0.704 7.535 8.230 0.015 0.000 0.415 219 S N 0.359 116.113 115.700 0.089 0.000 2.605 219 S HA 0.167 4.658 4.470 0.035 0.000 0.308 219 S C -0.749 173.941 174.600 0.149 0.000 1.113 219 S CA -1.469 56.777 58.200 0.076 0.000 1.049 219 S CB 1.286 64.504 63.200 0.030 0.000 1.001 219 S HN 0.035 8.390 8.310 0.075 0.000 0.480 220 F N 8.816 128.803 119.950 0.061 0.000 2.578 220 F HA -0.157 4.464 4.527 0.156 0.000 0.381 220 F C -1.110 174.718 175.800 0.045 0.000 1.069 220 F CA 1.735 59.802 58.000 0.111 0.000 1.231 220 F CB 0.844 39.923 39.000 0.131 0.000 1.086 220 F HN -0.156 8.310 8.300 0.276 0.000 0.564 221 D N 5.469 125.648 120.400 -0.370 0.000 2.602 221 D HA 0.033 4.631 4.640 -0.072 0.000 0.265 221 D C -1.249 174.866 176.300 -0.310 0.000 1.454 221 D CA -0.708 53.167 54.000 -0.208 0.000 0.795 221 D CB 0.598 41.336 40.800 -0.103 0.000 1.140 221 D HN 0.074 8.063 8.370 -0.635 0.000 0.486 222 K N -0.038 119.958 120.400 -0.672 0.000 2.297 222 K HA 0.052 4.216 4.320 -0.261 0.000 0.286 222 K C -0.882 175.658 176.600 -0.100 0.000 1.053 222 K CA 0.099 56.145 56.287 -0.401 0.000 0.940 222 K CB 0.681 32.877 32.500 -0.506 0.000 1.019 222 K HN -0.477 6.981 8.250 -1.320 0.000 0.475 223 S N 3.608 119.288 115.700 -0.033 0.000 2.596 223 S HA 0.176 4.826 4.470 0.071 -0.136 0.318 223 S C 0.951 175.572 174.600 0.034 0.000 1.097 223 S CA -1.660 56.558 58.200 0.030 0.000 1.080 223 S CB 0.816 64.024 63.200 0.014 0.000 0.991 223 S HN 0.177 8.455 8.310 -0.054 0.000 0.471 224 N N 7.518 126.253 118.700 0.058 0.000 2.142 224 N HA -0.141 4.623 4.740 0.040 0.000 0.186 224 N C 0.423 175.952 175.510 0.030 0.000 1.023 224 N CA 2.718 55.795 53.050 0.045 0.000 0.852 224 N CB 0.392 38.911 38.487 0.054 0.000 0.998 224 N HN 0.623 9.051 8.380 0.081 0.000 0.424 225 D N -3.323 117.095 120.400 0.031 0.000 2.538 225 D HA 0.176 4.827 4.640 0.019 0.000 0.231 225 D C 0.125 176.435 176.300 0.017 0.000 1.229 225 D CA -0.727 53.286 54.000 0.022 0.000 0.828 225 D CB 0.431 41.245 40.800 0.023 0.000 1.035 225 D HN -0.418 8.277 8.370 0.037 -0.302 0.495 226 G N -0.034 108.776 108.800 0.015 0.000 2.273 226 G HA2 -0.420 3.544 3.960 0.008 0.000 0.280 226 G HA3 -0.420 3.545 3.960 0.008 0.000 0.280 226 G C -0.675 174.234 174.900 0.014 0.000 1.047 226 G CA 0.530 45.636 45.100 0.011 0.000 0.869 226 G HN -0.355 7.944 8.290 0.016 0.000 0.502 227 E N -0.146 120.067 120.200 0.022 0.000 2.281 227 E HA 0.294 4.656 4.350 0.021 0.000 0.262 227 E C -1.487 175.133 176.600 0.034 0.000 0.933 227 E CA -1.535 54.880 56.400 0.026 0.000 0.809 227 E CB 2.524 32.241 29.700 0.030 0.000 1.242 227 E HN -0.350 8.006 8.360 0.026 0.020 0.418 228 T N 3.357 117.932 114.554 0.035 0.000 2.794 228 T HA 0.364 4.738 4.350 0.041 0.000 0.280 228 T C -1.856 172.882 174.700 0.063 0.000 0.987 228 T CA -2.436 59.689 62.100 0.042 0.000 0.993 228 T CB 0.561 69.447 68.868 0.031 0.000 0.939 228 T HN 0.055 8.314 8.240 0.031 0.000 0.449 229 P HA 0.068 4.561 4.420 0.122 0.000 0.271 229 P C -1.845 175.504 177.300 0.083 0.000 1.216 229 P CA -0.138 63.043 63.100 0.136 0.000 0.771 229 P CB 0.667 32.546 31.700 0.298 0.000 0.864 230 E N 2.216 122.446 120.200 0.049 0.000 2.224 230 E HA 0.047 4.412 4.350 0.025 0.000 0.265 230 E C 0.314 176.907 176.600 -0.010 0.000 0.878 230 E CA -0.765 55.647 56.400 0.020 0.000 0.759 230 E CB 1.289 30.997 29.700 0.014 0.000 1.164 230 E HN 0.130 8.516 8.360 0.043 0.000 0.414 231 G N 3.341 112.126 108.800 -0.025 0.000 2.221 231 G HA2 -0.388 3.537 3.960 -0.059 0.000 0.265 231 G HA3 -0.388 3.540 3.960 -0.054 0.000 0.265 231 G C -1.283 173.547 174.900 -0.116 0.000 1.041 231 G CA 0.401 45.465 45.100 -0.060 0.000 0.807 231 G HN 0.622 8.904 8.290 -0.014 0.000 0.502 232 I N 0.220 120.712 120.570 -0.131 0.000 2.437 232 I HA 0.123 4.089 4.170 -0.340 0.000 0.279 232 I C -1.801 174.088 176.117 -0.380 0.000 1.028 232 I CA -0.801 60.334 61.300 -0.275 0.000 1.142 232 I CB 0.731 38.588 38.000 -0.238 0.000 1.266 232 I HN -0.396 7.769 8.210 -0.075 0.000 0.461 233 G N 4.915 113.379 108.800 -0.559 0.000 2.605 233 G HA2 0.831 4.648 3.960 -0.424 0.000 0.296 233 G HA3 0.831 4.610 3.960 -0.302 0.000 0.296 233 G C -2.651 171.766 174.900 -0.804 0.000 1.304 233 G CA -1.291 43.497 45.100 -0.519 0.000 0.941 233 G HN 0.201 8.169 8.290 -0.538 0.000 0.475 234 F N -1.814 118.030 119.950 -0.176 0.000 2.565 234 F HA 0.908 5.520 4.527 -0.192 -0.200 0.313 234 F C -2.035 173.658 175.800 -0.180 0.000 1.091 234 F CA -1.849 55.969 58.000 -0.303 0.000 0.915 234 F CB 4.884 43.381 39.000 -0.839 0.000 1.208 234 F HN 0.103 8.318 8.300 -0.142 0.000 0.453 235 A N 0.485 123.435 122.820 0.217 0.000 2.449 235 A HA 0.838 5.443 4.320 0.216 -0.155 0.302 235 A C -1.900 175.945 177.584 0.436 0.000 1.048 235 A CA -2.231 49.958 52.037 0.254 0.000 0.708 235 A CB 3.993 23.081 19.000 0.147 0.000 1.274 235 A HN 0.786 9.111 8.150 0.291 0.000 0.410 236 I N 2.277 123.057 120.570 0.350 0.000 2.505 236 I HA 0.325 4.614 4.170 0.199 0.000 0.287 236 I C -1.238 174.957 176.117 0.131 0.000 1.104 236 I CA -3.738 57.689 61.300 0.212 0.000 1.387 236 I CB -0.851 37.218 38.000 0.115 0.000 1.404 236 I HN 0.011 8.396 8.210 0.291 0.000 0.528 237 P HA -0.007 4.621 4.420 0.105 -0.145 0.264 237 P C 1.193 178.489 177.300 -0.006 0.000 1.179 237 P CA -0.014 63.105 63.100 0.032 0.000 0.763 237 P CB 0.005 31.661 31.700 -0.074 0.000 0.806 238 F N 2.973 122.924 119.950 0.002 0.000 2.216 238 F HA -0.312 4.214 4.527 -0.002 0.000 0.300 238 F C 1.298 177.089 175.800 -0.016 0.000 1.085 238 F CA 3.340 61.336 58.000 -0.006 0.000 1.326 238 F CB -0.490 38.504 39.000 -0.009 0.000 1.027 238 F HN -0.209 8.264 8.300 0.289 0.000 0.497 239 Q N -0.155 119.112 119.800 -0.887 0.000 2.046 239 Q HA -0.321 3.748 4.340 -0.452 0.000 0.200 239 Q C 2.449 178.295 176.000 -0.256 0.000 0.975 239 Q CA 3.045 58.497 55.803 -0.586 0.000 0.836 239 Q CB -1.200 27.142 28.738 -0.659 0.000 0.896 239 Q HN 0.149 7.660 8.270 -1.266 0.000 0.428 240 L N -0.450 120.638 121.223 -0.223 0.000 2.046 240 L HA -0.292 3.966 4.340 -0.136 0.000 0.208 240 L C 1.352 178.168 176.870 -0.091 0.000 1.077 240 L CA 2.565 57.320 54.840 -0.141 0.000 0.747 240 L CB -0.816 41.160 42.059 -0.138 0.000 0.896 240 L HN -0.655 7.419 8.230 -0.260 0.000 0.432 241 A N -2.198 120.588 122.820 -0.057 0.000 1.902 241 A HA -0.389 3.917 4.320 -0.022 0.000 0.217 241 A C 2.041 179.617 177.584 -0.013 0.000 1.181 241 A CA 3.367 55.396 52.037 -0.014 0.000 0.623 241 A CB -0.930 18.092 19.000 0.036 0.000 0.818 241 A HN -0.256 7.859 8.150 -0.058 0.000 0.443 242 T N 0.570 115.123 114.554 -0.002 0.000 2.720 242 T HA -0.472 3.882 4.350 0.007 0.000 0.268 242 T C 2.085 176.763 174.700 -0.037 0.000 1.037 242 T CA 5.239 67.338 62.100 -0.000 0.000 1.144 242 T CB -0.237 68.652 68.868 0.034 0.000 0.864 242 T HN -0.283 7.959 8.240 0.003 0.000 0.444 243 K N 1.615 121.982 120.400 -0.055 0.000 2.002 243 K HA -0.321 3.963 4.320 -0.059 0.000 0.209 243 K C 2.370 178.933 176.600 -0.063 0.000 1.048 243 K CA 3.645 59.895 56.287 -0.063 0.000 0.930 243 K CB -0.145 32.311 32.500 -0.074 0.000 0.714 243 K HN -0.702 7.509 8.250 -0.064 0.000 0.438 244 I N -0.628 119.906 120.570 -0.061 0.000 2.226 244 I HA -0.443 3.691 4.170 -0.060 0.000 0.245 244 I C 1.938 178.018 176.117 -0.061 0.000 1.100 244 I CA 2.712 63.977 61.300 -0.059 0.000 1.374 244 I CB -0.893 37.075 38.000 -0.054 0.000 1.057 244 I HN -0.239 7.934 8.210 -0.061 0.000 0.413 245 M N 0.742 120.306 119.600 -0.060 0.000 2.080 245 M HA -0.561 3.875 4.480 -0.073 0.000 0.260 245 M C 1.543 177.769 176.300 -0.124 0.000 1.068 245 M CA 4.516 59.768 55.300 -0.080 0.000 1.109 245 M CB -0.238 32.322 32.600 -0.067 0.000 1.342 245 M HN 0.029 8.288 8.290 -0.051 0.000 0.405 246 D N -0.423 119.910 120.400 -0.111 0.000 2.104 246 D HA -0.355 4.187 4.640 -0.163 0.000 0.194 246 D C 2.493 178.728 176.300 -0.109 0.000 0.994 246 D CA 3.547 57.474 54.000 -0.123 0.000 0.830 246 D CB -0.708 40.039 40.800 -0.087 0.000 0.959 246 D HN -0.337 7.980 8.370 -0.089 0.000 0.452 247 K N -0.563 119.788 120.400 -0.082 0.000 2.032 247 K HA -0.316 3.967 4.320 -0.063 0.000 0.209 247 K C 2.448 179.007 176.600 -0.069 0.000 1.048 247 K CA 3.395 59.641 56.287 -0.068 0.000 0.927 247 K CB 0.030 32.496 32.500 -0.057 0.000 0.712 247 K HN -0.618 7.586 8.250 -0.076 0.000 0.441 248 L N -1.967 119.212 121.223 -0.073 0.000 2.083 248 L HA -0.357 3.954 4.340 -0.048 0.000 0.209 248 L C 2.529 179.354 176.870 -0.075 0.000 1.083 248 L CA 2.685 57.488 54.840 -0.062 0.000 0.752 248 L CB -0.200 41.826 42.059 -0.054 0.000 0.899 248 L HN -0.452 7.733 8.230 -0.076 0.000 0.433 249 I N -1.805 118.683 120.570 -0.137 0.000 2.252 249 I HA -0.424 3.655 4.170 -0.151 0.000 0.245 249 I C 1.993 178.048 176.117 -0.103 0.000 1.102 249 I CA 3.381 64.568 61.300 -0.188 0.000 1.385 249 I CB -0.019 37.731 38.000 -0.417 0.000 1.064 249 I HN -0.198 7.917 8.210 -0.159 0.000 0.414 250 R N -2.128 118.317 120.500 -0.091 0.000 2.241 250 R HA -0.217 4.094 4.340 -0.048 0.000 0.224 250 R C -0.355 175.924 176.300 -0.035 0.000 1.101 250 R CA 1.504 57.571 56.100 -0.055 0.000 0.995 250 R CB 0.168 30.437 30.300 -0.052 0.000 0.870 250 R HN -0.463 7.745 8.270 -0.104 0.000 0.463 251 D N -6.953 113.426 120.400 -0.035 0.000 3.028 251 D HA -0.235 4.477 4.640 -0.020 -0.084 0.207 251 D C -0.291 175.996 176.300 -0.023 0.000 1.100 251 D CA 1.241 55.228 54.000 -0.022 0.000 0.995 251 D CB -1.464 39.330 40.800 -0.010 0.000 1.108 251 D HN -0.715 7.429 8.370 -0.045 0.199 0.421 252 G N 0.000 108.782 108.800 -0.030 0.000 5.446 252 G HA2 0.000 nan 3.960 nan 0.000 0.244 252 G HA3 0.000 3.943 3.960 -0.028 0.000 0.244 252 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 252 G HN 0.000 8.211 8.290 -0.036 0.057 0.925