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 3kfb_1_B DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.776 120.335 119.600 -0.069 0.000 2.817 12 M HA 0.250 4.730 4.480 0.000 0.000 0.228 12 M C -0.267 175.971 176.300 -0.103 0.000 1.644 12 M CA 0.570 55.829 55.300 -0.069 0.000 1.177 12 M CB 0.636 33.202 32.600 -0.056 0.000 1.302 12 M HN 0.221 nan 8.290 nan 0.000 0.565 13 K N 1.213 121.523 120.400 -0.151 0.000 2.507 13 K HA 0.524 4.844 4.320 0.000 0.000 0.252 13 K C -1.033 175.321 176.600 -0.410 0.000 0.943 13 K CA -0.394 55.732 56.287 -0.268 0.000 0.808 13 K CB 2.885 35.230 32.500 -0.258 0.000 1.142 13 K HN 0.017 nan 8.250 nan 0.000 0.426 14 R N 3.062 123.279 120.500 -0.472 0.000 2.538 14 R HA 0.314 4.654 4.340 0.000 0.000 0.292 14 R C -1.551 174.475 176.300 -0.457 0.000 1.008 14 R CA -0.626 55.220 56.100 -0.423 0.000 0.896 14 R CB 0.909 31.097 30.300 -0.187 0.000 1.187 14 R HN 0.457 nan 8.270 nan 0.000 0.440 15 Y N 3.908 124.205 120.300 -0.005 0.000 2.328 15 Y HA 0.408 4.958 4.550 0.000 0.000 0.337 15 Y C 0.312 176.211 175.900 -0.001 0.000 1.008 15 Y CA -0.945 57.154 58.100 -0.000 0.000 1.129 15 Y CB 1.512 39.976 38.460 0.007 0.000 1.185 15 Y HN 0.233 nan 8.280 nan 0.000 0.476 16 M N 2.790 122.471 119.600 0.134 0.000 2.180 16 M HA 0.326 4.806 4.480 0.000 0.000 0.350 16 M C 1.124 177.457 176.300 0.055 0.000 1.125 16 M CA -0.059 55.281 55.300 0.067 0.000 1.031 16 M CB 0.859 33.482 32.600 0.038 0.000 1.623 16 M HN 0.982 nan 8.290 nan 0.000 0.451 17 G N 4.557 113.378 108.800 0.034 0.000 2.774 17 G HA2 -0.413 3.547 3.960 0.000 0.000 0.342 17 G HA3 -0.413 3.547 3.960 0.000 0.000 0.342 17 G C 1.089 175.992 174.900 0.005 0.000 1.185 17 G CA 1.124 46.230 45.100 0.009 0.000 0.956 17 G HN 0.698 nan 8.290 nan 0.000 0.561 18 R N 0.898 121.397 120.500 -0.002 0.000 2.148 18 R HA 0.097 4.437 4.340 0.000 0.000 0.227 18 R C 2.184 178.482 176.300 -0.002 0.000 1.103 18 R CA 1.560 57.654 56.100 -0.009 0.000 0.983 18 R CB -0.257 30.035 30.300 -0.013 0.000 0.874 18 R HN 0.533 nan 8.270 nan 0.000 0.451 19 D N 0.374 120.785 120.400 0.019 0.000 2.120 19 D HA -0.029 4.611 4.640 0.000 0.000 0.202 19 D C 1.851 178.155 176.300 0.007 0.000 0.972 19 D CA 1.462 55.472 54.000 0.016 0.000 0.837 19 D CB -0.257 40.586 40.800 0.072 0.000 0.989 19 D HN 0.219 nan 8.370 nan 0.000 0.469 20 A N 0.830 123.695 122.820 0.074 0.000 1.898 20 A HA -0.207 4.113 4.320 0.000 0.000 0.216 20 A C 2.118 179.725 177.584 0.037 0.000 1.181 20 A CA 1.346 53.440 52.037 0.095 0.000 0.620 20 A CB -0.594 18.485 19.000 0.131 0.000 0.819 20 A HN 0.183 nan 8.150 nan 0.000 0.442 21 Q N -1.165 118.644 119.800 0.015 0.000 2.084 21 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 21 Q C 2.348 178.336 176.000 -0.019 0.000 0.978 21 Q CA 1.574 57.375 55.803 -0.004 0.000 0.844 21 Q CB -0.129 28.598 28.738 -0.018 0.000 0.898 21 Q HN 0.659 nan 8.270 nan 0.000 0.426 22 R N -0.160 120.322 120.500 -0.030 0.000 2.153 22 R HA -0.074 4.266 4.340 0.000 0.000 0.218 22 R C 2.085 178.345 176.300 -0.066 0.000 1.072 22 R CA 0.703 56.776 56.100 -0.046 0.000 0.990 22 R CB 0.042 30.315 30.300 -0.045 0.000 0.889 22 R HN 0.169 nan 8.270 nan 0.000 0.452 23 M N 0.998 120.551 119.600 -0.079 0.000 2.086 23 M HA -0.130 4.350 4.480 0.000 0.000 0.261 23 M C 1.249 177.516 176.300 -0.056 0.000 1.067 23 M CA 1.797 57.040 55.300 -0.094 0.000 1.116 23 M CB -0.217 32.273 32.600 -0.183 0.000 1.348 23 M HN 0.085 nan 8.290 nan 0.000 0.407 24 N N 0.190 118.882 118.700 -0.014 0.000 2.109 24 N HA -0.034 4.706 4.740 0.000 0.000 0.188 24 N C 1.877 177.336 175.510 -0.085 0.000 1.034 24 N CA 1.790 54.823 53.050 -0.029 0.000 0.846 24 N CB -0.630 37.877 38.487 0.033 0.000 1.010 24 N HN 0.412 nan 8.380 nan 0.000 0.425 25 I N 0.995 121.532 120.570 -0.054 0.000 2.248 25 I HA -0.267 3.903 4.170 0.000 0.000 0.248 25 I C 2.271 178.343 176.117 -0.075 0.000 1.107 25 I CA 0.934 62.204 61.300 -0.050 0.000 1.373 25 I CB -0.166 37.813 38.000 -0.034 0.000 1.055 25 I HN 0.120 nan 8.210 nan 0.000 0.418 26 L N 0.392 121.558 121.223 -0.096 0.000 2.072 26 L HA -0.145 4.195 4.340 0.000 0.000 0.205 26 L C 2.724 179.499 176.870 -0.157 0.000 1.079 26 L CA 1.431 56.207 54.840 -0.106 0.000 0.752 26 L CB -0.285 41.714 42.059 -0.099 0.000 0.906 26 L HN 0.199 nan 8.230 nan 0.000 0.436 27 A N -0.438 122.221 122.820 -0.268 0.000 1.972 27 A HA -0.128 4.192 4.320 0.000 0.000 0.219 27 A C 2.212 179.659 177.584 -0.229 0.000 1.169 27 A CA 1.600 53.395 52.037 -0.402 0.000 0.635 27 A CB -1.155 17.228 19.000 -1.028 0.000 0.810 27 A HN 0.538 nan 8.150 nan 0.000 0.446 28 G N -0.952 107.753 108.800 -0.158 0.000 2.396 28 G HA2 -0.121 3.840 3.960 0.000 0.000 0.214 28 G HA3 -0.121 3.840 3.960 0.000 0.000 0.214 28 G C 1.726 176.584 174.900 -0.070 0.000 1.166 28 G CA 0.550 45.596 45.100 -0.090 0.000 0.793 28 G HN 0.511 nan 8.290 nan 0.000 0.533 29 R N -0.431 120.027 120.500 -0.070 0.000 2.148 29 R HA 0.147 4.487 4.340 0.000 0.000 0.227 29 R C 2.316 178.583 176.300 -0.056 0.000 1.103 29 R CA 0.673 56.739 56.100 -0.055 0.000 0.983 29 R CB -0.244 30.026 30.300 -0.050 0.000 0.874 29 R HN 0.384 nan 8.270 nan 0.000 0.451 30 I N 1.011 121.540 120.570 -0.069 0.000 2.584 30 I HA -0.147 4.023 4.170 0.000 0.000 0.255 30 I C 2.041 178.128 176.117 -0.049 0.000 1.145 30 I CA 0.820 62.084 61.300 -0.059 0.000 1.462 30 I CB 0.219 38.178 38.000 -0.069 0.000 1.102 30 I HN 0.120 nan 8.210 nan 0.000 0.433 31 I N -1.927 118.612 120.570 -0.052 0.000 3.226 31 I HA 0.118 4.288 4.170 0.000 0.000 0.277 31 I C 2.255 178.352 176.117 -0.032 0.000 1.243 31 I CA 0.945 62.223 61.300 -0.036 0.000 1.459 31 I CB -0.421 37.560 38.000 -0.032 0.000 1.093 31 I HN -0.018 nan 8.210 nan 0.000 0.453 32 A N 1.411 124.208 122.820 -0.037 0.000 2.014 32 A HA -0.048 4.272 4.320 0.000 0.000 0.218 32 A C 2.133 179.697 177.584 -0.034 0.000 1.163 32 A CA 1.154 53.170 52.037 -0.035 0.000 0.652 32 A CB -0.492 18.485 19.000 -0.039 0.000 0.808 32 A HN 0.575 nan 8.150 nan 0.000 0.449 33 E N -0.842 119.337 120.200 -0.034 0.000 2.435 33 E HA -0.039 4.311 4.350 0.000 0.000 0.195 33 E C 1.464 178.048 176.600 -0.026 0.000 1.029 33 E CA 0.886 57.267 56.400 -0.031 0.000 0.865 33 E CB -0.015 29.666 29.700 -0.031 0.000 0.833 33 E HN 0.544 nan 8.360 nan 0.000 0.510 34 T N 0.434 114.973 114.554 -0.025 0.000 2.951 34 T HA -0.092 4.258 4.350 0.000 0.000 0.268 34 T C 1.943 176.632 174.700 -0.018 0.000 1.073 34 T CA 1.236 63.324 62.100 -0.020 0.000 1.134 34 T CB 0.122 68.979 68.868 -0.018 0.000 0.884 34 T HN 0.177 nan 8.240 nan 0.000 0.479 35 V N -1.120 118.781 119.914 -0.020 0.000 3.621 35 V HA 0.356 4.476 4.120 0.000 0.000 0.285 35 V C 2.005 178.086 176.094 -0.022 0.000 1.346 35 V CA 0.004 62.293 62.300 -0.019 0.000 1.104 35 V CB -0.549 31.264 31.823 -0.017 0.000 0.913 35 V HN 0.166 nan 8.190 nan 0.000 0.432 36 R N 2.184 122.668 120.500 -0.025 0.000 2.105 36 R HA -0.120 4.220 4.340 0.000 0.000 0.239 36 R C 2.415 178.698 176.300 -0.028 0.000 1.135 36 R CA 1.907 57.990 56.100 -0.029 0.000 0.967 36 R CB -0.348 29.933 30.300 -0.031 0.000 0.861 36 R HN 0.789 nan 8.270 nan 0.000 0.442 37 S N -0.791 114.895 115.700 -0.024 0.000 2.607 37 S HA -0.055 4.415 4.470 0.000 0.000 0.224 37 S C 1.648 176.235 174.600 -0.022 0.000 0.969 37 S CA 0.963 59.149 58.200 -0.024 0.000 0.927 37 S CB 0.121 63.308 63.200 -0.021 0.000 0.772 37 S HN 0.407 nan 8.310 nan 0.000 0.533 38 T N -0.811 113.731 114.554 -0.020 0.000 3.065 38 T HA 0.320 4.670 4.350 0.000 0.000 0.252 38 T C 0.460 175.149 174.700 -0.018 0.000 1.099 38 T CA -0.399 61.692 62.100 -0.016 0.000 1.063 38 T CB -0.464 68.397 68.868 -0.011 0.000 0.948 38 T HN 0.380 nan 8.240 nan 0.000 0.506 39 L N 2.264 123.472 121.223 -0.024 0.000 2.361 39 L HA 0.543 4.883 4.340 0.000 0.000 0.278 39 L C 0.768 177.616 176.870 -0.035 0.000 1.113 39 L CA 1.031 55.855 54.840 -0.028 0.000 0.849 39 L CB -0.231 41.809 42.059 -0.032 0.000 1.155 39 L HN 0.710 nan 8.230 nan 0.000 0.452 40 G N 4.171 112.952 108.800 -0.031 0.000 2.603 40 G HA2 -0.160 3.800 3.960 0.000 0.000 0.686 40 G HA3 -0.160 3.800 3.960 0.000 0.000 0.686 40 G C -2.622 172.259 174.900 -0.032 0.000 1.286 40 G CA -0.482 44.591 45.100 -0.044 0.000 0.871 40 G HN 0.447 nan 8.290 nan 0.000 0.568 41 P HA 0.079 nan 4.420 nan 0.000 0.221 41 P C 1.289 178.572 177.300 -0.028 0.000 1.150 41 P CA 1.181 64.281 63.100 0.001 0.000 0.800 41 P CB 0.162 31.864 31.700 0.003 0.000 0.787 42 K N -0.346 119.993 120.400 -0.101 0.000 2.437 42 K HA 0.266 4.587 4.320 0.000 0.000 0.205 42 K C 1.043 177.614 176.600 -0.048 0.000 1.026 42 K CA -0.015 56.224 56.287 -0.081 0.000 1.153 42 K CB 0.296 32.714 32.500 -0.138 0.000 0.863 42 K HN 0.083 nan 8.250 nan 0.000 0.502 43 G N 0.852 109.631 108.800 -0.035 0.000 2.537 43 G HA2 0.370 4.330 3.960 0.000 0.000 0.273 43 G HA3 0.370 4.330 3.960 0.000 0.000 0.273 43 G C 0.030 174.923 174.900 -0.012 0.000 1.189 43 G CA -0.456 44.629 45.100 -0.025 0.000 0.881 43 G HN -0.054 nan 8.290 nan 0.000 0.535 44 M N 0.445 120.038 119.600 -0.012 0.000 2.644 44 M HA 0.343 4.823 4.480 0.000 0.000 0.316 44 M C -0.906 175.391 176.300 -0.006 0.000 1.200 44 M CA -0.763 54.532 55.300 -0.007 0.000 0.944 44 M CB 1.934 34.528 32.600 -0.010 0.000 1.691 44 M HN 0.364 nan 8.290 nan 0.000 0.471 45 D N 1.522 121.920 120.400 -0.004 0.000 2.348 45 D HA 0.438 5.078 4.640 0.000 0.000 0.249 45 D C -0.225 176.070 176.300 -0.009 0.000 1.110 45 D CA -0.157 53.841 54.000 -0.004 0.000 0.967 45 D CB 1.110 41.909 40.800 -0.002 0.000 1.139 45 D HN 0.175 nan 8.370 nan 0.000 0.466 46 K N 0.564 120.959 120.400 -0.009 0.000 2.259 46 K HA 0.449 4.769 4.320 0.000 0.000 0.249 46 K C -0.548 176.042 176.600 -0.018 0.000 0.942 46 K CA -0.759 55.521 56.287 -0.013 0.000 0.816 46 K CB 2.489 34.983 32.500 -0.010 0.000 1.155 46 K HN 0.406 nan 8.250 nan 0.000 0.428 47 M N 3.447 123.033 119.600 -0.023 0.000 2.101 47 M HA 0.285 4.765 4.480 0.000 0.000 0.340 47 M C -1.627 174.657 176.300 -0.027 0.000 1.057 47 M CA -0.871 54.408 55.300 -0.034 0.000 0.984 47 M CB 0.474 33.047 32.600 -0.045 0.000 1.560 47 M HN 0.361 nan 8.290 nan 0.000 0.435 48 L N 6.250 127.459 121.223 -0.024 0.000 2.287 48 L HA 0.588 4.928 4.340 0.000 0.000 0.287 48 L C -0.820 176.042 176.870 -0.013 0.000 1.022 48 L CA -0.336 54.496 54.840 -0.013 0.000 0.814 48 L CB 1.723 43.780 42.059 -0.003 0.000 1.217 48 L HN 0.455 nan 8.230 nan 0.000 0.420 49 V N 2.091 121.999 119.914 -0.010 0.000 2.581 49 V HA 0.576 4.696 4.120 0.000 0.000 0.303 49 V C -0.329 175.766 176.094 0.001 0.000 1.041 49 V CA -0.779 61.517 62.300 -0.006 0.000 0.907 49 V CB 1.828 33.645 31.823 -0.011 0.000 0.994 49 V HN 0.819 nan 8.190 nan 0.000 0.442 50 D N 1.732 122.136 120.400 0.007 0.000 2.589 50 D HA 0.216 4.856 4.640 0.000 0.000 0.268 50 D C 0.577 176.881 176.300 0.008 0.000 1.182 50 D CA -0.203 53.802 54.000 0.008 0.000 1.087 50 D CB 0.343 41.150 40.800 0.012 0.000 1.186 50 D HN 0.516 nan 8.370 nan 0.000 0.620 51 D N -0.963 119.442 120.400 0.008 0.000 2.277 51 D HA -0.053 4.587 4.640 0.000 0.000 0.208 51 D C 1.790 178.095 176.300 0.008 0.000 0.962 51 D CA 0.644 54.648 54.000 0.007 0.000 0.865 51 D CB -0.331 40.474 40.800 0.007 0.000 0.939 51 D HN 0.255 nan 8.370 nan 0.000 0.510 52 L N -0.804 120.425 121.223 0.010 0.000 2.529 52 L HA 0.332 4.672 4.340 0.000 0.000 0.223 52 L C 1.648 178.526 176.870 0.014 0.000 1.113 52 L CA 0.551 55.398 54.840 0.012 0.000 0.861 52 L CB 0.146 42.213 42.059 0.013 0.000 1.012 52 L HN 0.396 nan 8.230 nan 0.000 0.461 53 G N -0.781 108.027 108.800 0.013 0.000 2.176 53 G HA2 -0.215 3.745 3.960 0.000 0.000 0.232 53 G HA3 -0.215 3.745 3.960 0.000 0.000 0.232 53 G C -0.146 174.767 174.900 0.021 0.000 0.986 53 G CA -0.288 44.820 45.100 0.013 0.000 0.643 53 G HN 0.270 nan 8.290 nan 0.000 0.522 54 D N 0.739 121.156 120.400 0.028 0.000 2.371 54 D HA 0.385 5.025 4.640 0.000 0.000 0.256 54 D C 0.382 176.708 176.300 0.044 0.000 1.193 54 D CA 0.254 54.282 54.000 0.048 0.000 0.881 54 D CB 2.002 42.831 40.800 0.047 0.000 1.143 54 D HN 0.342 nan 8.370 nan 0.000 0.473 55 V N 3.505 123.449 119.914 0.050 0.000 2.472 55 V HA 0.481 4.601 4.120 0.000 0.000 0.290 55 V C -0.732 175.371 176.094 0.016 0.000 1.037 55 V CA -0.488 61.801 62.300 -0.019 0.000 0.908 55 V CB 1.925 33.675 31.823 -0.122 0.000 0.985 55 V HN 0.238 nan 8.190 nan 0.000 0.454 56 V N 7.049 126.962 119.914 -0.002 0.000 2.525 56 V HA 0.541 4.661 4.120 0.000 0.000 0.299 56 V C -0.696 175.392 176.094 -0.010 0.000 1.034 56 V CA -0.306 62.018 62.300 0.040 0.000 0.863 56 V CB 2.247 34.122 31.823 0.086 0.000 0.999 56 V HN 0.771 nan 8.190 nan 0.000 0.423 57 V N 6.003 125.903 119.914 -0.024 0.000 2.370 57 V HA 0.724 4.844 4.120 0.000 0.000 0.279 57 V C 0.213 176.315 176.094 0.013 0.000 1.029 57 V CA 0.052 62.338 62.300 -0.023 0.000 0.870 57 V CB 1.457 33.249 31.823 -0.050 0.000 0.984 57 V HN 0.977 nan 8.190 nan 0.000 0.451 58 T N 2.868 117.427 114.554 0.008 0.000 2.853 58 T HA 0.289 4.639 4.350 0.000 0.000 0.311 58 T C 0.246 174.950 174.700 0.007 0.000 1.307 58 T CA -0.521 61.587 62.100 0.014 0.000 1.019 58 T CB 1.943 70.821 68.868 0.018 0.000 1.264 58 T HN 0.614 nan 8.240 nan 0.000 0.497 59 N N 1.372 120.078 118.700 0.009 0.000 2.220 59 N HA 0.064 4.804 4.740 0.000 0.000 0.195 59 N C -0.393 175.119 175.510 0.004 0.000 1.123 59 N CA -0.031 53.022 53.050 0.005 0.000 0.874 59 N CB 0.364 38.856 38.487 0.008 0.000 0.995 59 N HN 0.623 nan 8.380 nan 0.000 0.498 60 D N -0.274 120.130 120.400 0.006 0.000 2.371 60 D HA 0.164 4.804 4.640 0.000 0.000 0.256 60 D C 1.351 177.652 176.300 0.002 0.000 1.193 60 D CA 0.139 54.142 54.000 0.005 0.000 0.881 60 D CB 1.142 41.947 40.800 0.007 0.000 1.143 60 D HN 0.263 nan 8.370 nan 0.000 0.473 61 G N 2.635 111.434 108.800 -0.001 0.000 2.453 61 G HA2 -0.234 3.726 3.960 0.000 0.000 0.215 61 G HA3 -0.234 3.726 3.960 0.000 0.000 0.215 61 G C 1.573 176.472 174.900 -0.002 0.000 1.201 61 G CA 0.678 45.776 45.100 -0.004 0.000 0.784 61 G HN 0.492 nan 8.290 nan 0.000 0.545 62 V N 1.855 121.769 119.914 -0.001 0.000 2.324 62 V HA -0.222 3.898 4.120 0.000 0.000 0.250 62 V C 3.275 179.371 176.094 0.003 0.000 1.060 62 V CA 3.398 65.698 62.300 0.001 0.000 1.042 62 V CB -0.876 30.948 31.823 0.002 0.000 0.650 62 V HN 0.639 nan 8.190 nan 0.000 0.450 63 T N -2.011 112.546 114.554 0.005 0.000 2.915 63 T HA -0.093 4.257 4.350 0.000 0.000 0.269 63 T C 1.772 176.476 174.700 0.007 0.000 1.071 63 T CA 1.750 63.855 62.100 0.007 0.000 1.132 63 T CB -0.493 68.381 68.868 0.010 0.000 0.878 63 T HN 0.517 nan 8.240 nan 0.000 0.479 64 I N 0.859 121.432 120.570 0.005 0.000 2.163 64 I HA -0.055 4.115 4.170 0.000 0.000 0.240 64 I C 2.520 178.639 176.117 0.003 0.000 1.081 64 I CA 1.183 62.484 61.300 0.003 0.000 1.353 64 I CB -0.382 37.617 38.000 -0.001 0.000 1.054 64 I HN 0.178 nan 8.210 nan 0.000 0.407 65 L N 0.116 121.340 121.223 0.001 0.000 2.083 65 L HA -0.197 4.143 4.340 0.000 0.000 0.209 65 L C 2.778 179.652 176.870 0.006 0.000 1.083 65 L CA 1.369 56.211 54.840 0.002 0.000 0.752 65 L CB -0.617 41.443 42.059 0.000 0.000 0.899 65 L HN 0.171 nan 8.230 nan 0.000 0.433 66 R N 0.297 120.801 120.500 0.007 0.000 2.066 66 R HA -0.100 4.240 4.340 0.000 0.000 0.232 66 R C 0.906 177.212 176.300 0.009 0.000 1.131 66 R CA 1.133 57.238 56.100 0.008 0.000 0.955 66 R CB -0.062 30.242 30.300 0.008 0.000 0.851 66 R HN 0.406 nan 8.270 nan 0.000 0.432 67 E N 0.964 121.169 120.200 0.009 0.000 2.411 67 E HA 0.107 4.457 4.350 0.000 0.000 0.228 67 E C -0.288 176.318 176.600 0.010 0.000 1.169 67 E CA -0.195 56.211 56.400 0.011 0.000 1.421 67 E CB 0.362 30.069 29.700 0.013 0.000 1.333 67 E HN 0.262 nan 8.360 nan 0.000 0.434 68 M N -2.327 117.279 119.600 0.009 0.000 2.446 68 M HA 0.477 4.957 4.480 0.000 0.000 0.294 68 M C -0.766 175.540 176.300 0.011 0.000 1.158 68 M CA -0.792 54.513 55.300 0.009 0.000 0.899 68 M CB 2.148 34.752 32.600 0.006 0.000 1.687 68 M HN -0.332 nan 8.290 nan 0.000 0.455 69 S N 2.518 118.225 115.700 0.012 0.000 2.686 69 S HA 0.323 4.793 4.470 0.000 0.000 0.324 69 S C -0.258 174.354 174.600 0.020 0.000 1.172 69 S CA -0.511 57.698 58.200 0.015 0.000 1.127 69 S CB -0.670 62.538 63.200 0.013 0.000 1.338 69 S HN 0.454 nan 8.310 nan 0.000 0.547 70 V N 4.020 123.948 119.914 0.024 0.000 2.394 70 V HA 0.313 4.433 4.120 0.000 0.000 0.282 70 V C 0.815 176.935 176.094 0.044 0.000 1.031 70 V CA -0.393 61.928 62.300 0.034 0.000 0.881 70 V CB 1.560 33.401 31.823 0.031 0.000 0.982 70 V HN 0.661 nan 8.190 nan 0.000 0.451 71 E N 1.071 121.306 120.200 0.059 0.000 2.434 71 E HA 0.078 4.428 4.350 0.000 0.000 0.207 71 E C 0.569 177.213 176.600 0.073 0.000 0.929 71 E CA -0.051 56.380 56.400 0.052 0.000 1.001 71 E CB 0.225 29.944 29.700 0.032 0.000 1.016 71 E HN 0.691 nan 8.360 nan 0.000 0.502 72 H N 3.892 122.970 119.070 0.013 0.000 3.026 72 H HA 0.033 4.589 4.556 0.000 0.000 0.289 72 H C -1.531 173.807 175.328 0.018 0.000 1.022 72 H CA -1.599 54.459 56.048 0.016 0.000 1.477 72 H CB 1.185 30.950 29.762 0.005 0.000 1.510 72 H HN -0.135 nan 8.280 nan 0.000 0.535 73 P HA -0.203 nan 4.420 nan 0.000 0.217 73 P C 1.100 178.520 177.300 0.200 0.000 1.151 73 P CA 1.888 65.072 63.100 0.140 0.000 0.849 73 P CB 0.114 31.851 31.700 0.061 0.000 0.787 74 A N 0.034 123.065 122.820 0.350 0.000 1.929 74 A HA 0.055 4.375 4.320 0.000 0.000 0.216 74 A C 2.456 180.069 177.584 0.048 0.000 1.176 74 A CA 1.808 53.932 52.037 0.145 0.000 0.628 74 A CB -1.336 17.709 19.000 0.075 0.000 0.816 74 A HN 0.233 nan 8.150 nan 0.000 0.444 75 A N 0.136 122.978 122.820 0.037 0.000 1.898 75 A HA -0.114 4.206 4.320 0.000 0.000 0.216 75 A C 2.039 179.642 177.584 0.032 0.000 1.181 75 A CA 1.688 53.725 52.037 0.000 0.000 0.620 75 A CB -0.441 18.552 19.000 -0.011 0.000 0.819 75 A HN 0.500 nan 8.150 nan 0.000 0.442 76 K N -0.934 119.503 120.400 0.061 0.000 2.160 76 K HA -0.102 4.218 4.320 0.000 0.000 0.206 76 K C 1.811 178.432 176.600 0.035 0.000 1.047 76 K CA 1.769 58.083 56.287 0.046 0.000 0.930 76 K CB -0.248 32.282 32.500 0.050 0.000 0.720 76 K HN 0.505 nan 8.250 nan 0.000 0.450 77 M N -0.378 119.246 119.600 0.039 0.000 2.514 77 M HA -0.020 4.460 4.480 0.000 0.000 0.258 77 M C 1.461 177.776 176.300 0.024 0.000 1.119 77 M CA 0.536 55.856 55.300 0.033 0.000 1.111 77 M CB 0.327 32.952 32.600 0.041 0.000 1.390 77 M HN 0.072 nan 8.290 nan 0.000 0.475 78 L N -0.297 120.935 121.223 0.016 0.000 2.477 78 L HA 0.138 4.478 4.340 0.000 0.000 0.220 78 L C 1.764 178.637 176.870 0.005 0.000 1.106 78 L CA 0.845 55.689 54.840 0.007 0.000 0.851 78 L CB 0.001 42.057 42.059 -0.005 0.000 0.994 78 L HN 0.182 nan 8.230 nan 0.000 0.462 79 I N -0.773 119.802 120.570 0.008 0.000 2.394 79 I HA -0.187 3.983 4.170 0.000 0.000 0.251 79 I C 1.995 178.118 176.117 0.009 0.000 1.136 79 I CA 0.624 61.928 61.300 0.007 0.000 1.425 79 I CB -0.226 37.780 38.000 0.011 0.000 1.079 79 I HN 0.248 nan 8.210 nan 0.000 0.425 80 E N 0.547 120.754 120.200 0.013 0.000 2.219 80 E HA -0.184 4.166 4.350 0.000 0.000 0.198 80 E C 2.363 178.970 176.600 0.011 0.000 0.998 80 E CA 1.174 57.582 56.400 0.013 0.000 0.818 80 E CB -0.211 29.499 29.700 0.017 0.000 0.741 80 E HN 0.378 nan 8.360 nan 0.000 0.477 81 V N 1.112 121.032 119.914 0.010 0.000 2.453 81 V HA -0.183 3.937 4.120 0.000 0.000 0.247 81 V C 2.340 178.436 176.094 0.004 0.000 1.048 81 V CA 1.670 63.974 62.300 0.008 0.000 1.049 81 V CB -0.551 31.275 31.823 0.005 0.000 0.672 81 V HN 0.251 nan 8.190 nan 0.000 0.457 82 A N -0.517 122.304 122.820 0.002 0.000 1.898 82 A HA -0.129 4.191 4.320 0.000 0.000 0.214 82 A C 2.307 179.893 177.584 0.002 0.000 1.183 82 A CA 1.533 53.570 52.037 -0.000 0.000 0.622 82 A CB -0.370 18.629 19.000 -0.002 0.000 0.824 82 A HN 0.444 nan 8.150 nan 0.000 0.444 83 K N -0.162 120.241 120.400 0.004 0.000 2.097 83 K HA -0.144 4.176 4.320 0.000 0.000 0.206 83 K C 1.745 178.348 176.600 0.005 0.000 1.049 83 K CA 1.817 58.108 56.287 0.005 0.000 0.933 83 K CB -0.176 32.328 32.500 0.007 0.000 0.717 83 K HN 0.611 nan 8.250 nan 0.000 0.442 84 T N -2.195 112.363 114.554 0.006 0.000 3.144 84 T HA 0.029 4.380 4.350 0.000 0.000 0.249 84 T C 1.421 176.124 174.700 0.005 0.000 1.089 84 T CA 0.077 62.180 62.100 0.006 0.000 0.989 84 T CB 0.523 69.397 68.868 0.008 0.000 0.992 84 T HN 0.154 nan 8.240 nan 0.000 0.540 85 Q N 2.019 121.821 119.800 0.004 0.000 2.165 85 Q HA 0.027 4.367 4.340 0.000 0.000 0.197 85 Q C 2.209 178.210 176.000 0.002 0.000 0.952 85 Q CA 1.471 57.275 55.803 0.002 0.000 0.848 85 Q CB -0.111 28.627 28.738 0.000 0.000 0.931 85 Q HN 0.818 nan 8.270 nan 0.000 0.470 86 E N -0.265 119.936 120.200 0.001 0.000 2.150 86 E HA -0.237 4.113 4.350 0.000 0.000 0.193 86 E C 1.751 178.351 176.600 0.001 0.000 0.985 86 E CA 1.239 57.640 56.400 0.001 0.000 0.814 86 E CB -0.173 29.528 29.700 0.001 0.000 0.752 86 E HN 0.069 nan 8.360 nan 0.000 0.466 87 K N 0.637 121.038 120.400 0.002 0.000 2.097 87 K HA -0.110 4.210 4.320 0.000 0.000 0.206 87 K C 1.857 178.458 176.600 0.001 0.000 1.049 87 K CA 1.498 57.786 56.287 0.001 0.000 0.933 87 K CB 0.245 32.747 32.500 0.003 0.000 0.717 87 K HN 0.124 nan 8.250 nan 0.000 0.442 88 E N -1.177 119.024 120.200 0.002 0.000 2.340 88 E HA 0.062 4.412 4.350 0.000 0.000 0.198 88 E C 1.482 178.083 176.600 0.001 0.000 0.961 88 E CA 0.528 56.929 56.400 0.002 0.000 0.905 88 E CB 0.792 30.494 29.700 0.003 0.000 0.884 88 E HN 0.109 nan 8.360 nan 0.000 0.491 89 V N -1.404 118.511 119.914 0.001 0.000 3.029 89 V HA 0.329 4.450 4.120 0.000 0.000 0.230 89 V C 1.549 177.643 176.094 0.000 0.000 1.254 89 V CA 0.915 63.216 62.300 0.001 0.000 1.276 89 V CB 0.816 32.640 31.823 0.001 0.000 1.080 89 V HN 0.327 nan 8.190 nan 0.000 0.495 90 G N 0.449 109.249 108.800 0.000 0.000 2.376 90 G HA2 -0.180 3.780 3.960 0.000 0.000 0.208 90 G HA3 -0.180 3.780 3.960 0.000 0.000 0.208 90 G C -0.133 174.767 174.900 0.001 0.000 1.032 90 G CA 0.298 45.398 45.100 -0.000 0.000 0.641 90 G HN 0.570 nan 8.290 nan 0.000 0.503 91 D N -0.828 119.573 120.400 0.001 0.000 2.490 91 D HA 0.597 5.237 4.640 0.000 0.000 0.232 91 D C 0.928 177.228 176.300 -0.000 0.000 1.053 91 D CA 0.791 54.792 54.000 0.002 0.000 0.914 91 D CB 1.124 41.926 40.800 0.003 0.000 1.431 91 D HN 1.438 nan 8.370 nan 0.000 0.483 92 G N 0.802 109.602 108.800 -0.001 0.000 2.131 92 G HA2 -0.288 3.672 3.960 0.000 0.000 0.223 92 G HA3 -0.288 3.672 3.960 0.000 0.000 0.223 92 G C 0.981 175.877 174.900 -0.007 0.000 0.990 92 G CA 1.008 46.105 45.100 -0.005 0.000 0.671 92 G HN 0.735 nan 8.290 nan 0.000 0.521 93 T N -2.847 111.704 114.554 -0.005 0.000 2.821 93 T HA -0.062 4.288 4.350 0.000 0.000 0.267 93 T C 2.237 176.931 174.700 -0.010 0.000 1.046 93 T CA 2.505 64.602 62.100 -0.006 0.000 1.139 93 T CB -0.470 68.396 68.868 -0.003 0.000 0.871 93 T HN 0.298 nan 8.240 nan 0.000 0.454 94 T N 2.582 117.129 114.554 -0.012 0.000 2.812 94 T HA -0.075 4.275 4.350 0.000 0.000 0.264 94 T C 2.461 177.148 174.700 -0.023 0.000 1.042 94 T CA 1.841 63.932 62.100 -0.016 0.000 1.140 94 T CB -0.899 67.960 68.868 -0.016 0.000 0.870 94 T HN 0.794 nan 8.240 nan 0.000 0.445 95 T N 1.190 115.730 114.554 -0.023 0.000 2.833 95 T HA 0.028 4.378 4.350 0.000 0.000 0.269 95 T C 2.245 176.923 174.700 -0.036 0.000 1.054 95 T CA 1.029 63.110 62.100 -0.031 0.000 1.135 95 T CB -0.528 68.324 68.868 -0.027 0.000 0.869 95 T HN 0.341 nan 8.240 nan 0.000 0.466 96 A N 0.938 123.741 122.820 -0.027 0.000 1.929 96 A HA 0.162 4.482 4.320 0.000 0.000 0.216 96 A C 2.587 180.152 177.584 -0.032 0.000 1.176 96 A CA 1.261 53.282 52.037 -0.027 0.000 0.628 96 A CB -0.847 18.145 19.000 -0.015 0.000 0.816 96 A HN 0.413 nan 8.150 nan 0.000 0.444 97 V N -0.535 119.362 119.914 -0.028 0.000 2.379 97 V HA -0.164 3.956 4.120 0.000 0.000 0.245 97 V C 2.530 178.601 176.094 -0.040 0.000 1.044 97 V CA 1.728 64.010 62.300 -0.029 0.000 1.036 97 V CB -0.534 31.276 31.823 -0.022 0.000 0.664 97 V HN 0.343 nan 8.190 nan 0.000 0.453 98 V N -0.254 119.634 119.914 -0.044 0.000 2.490 98 V HA -0.200 3.920 4.120 0.000 0.000 0.250 98 V C 2.378 178.429 176.094 -0.072 0.000 1.061 98 V CA 1.699 63.968 62.300 -0.052 0.000 1.064 98 V CB -0.280 31.513 31.823 -0.049 0.000 0.670 98 V HN 0.402 nan 8.190 nan 0.000 0.461 99 V N 0.135 119.999 119.914 -0.084 0.000 2.323 99 V HA -0.181 3.939 4.120 0.000 0.000 0.244 99 V C 2.706 178.718 176.094 -0.137 0.000 1.041 99 V CA 1.791 64.013 62.300 -0.129 0.000 1.025 99 V CB -0.979 30.759 31.823 -0.142 0.000 0.656 99 V HN 0.546 nan 8.190 nan 0.000 0.451 100 A N 0.538 123.303 122.820 -0.092 0.000 1.948 100 A HA -0.161 4.159 4.320 0.000 0.000 0.220 100 A C 2.375 179.931 177.584 -0.047 0.000 1.177 100 A CA 2.136 54.136 52.037 -0.061 0.000 0.636 100 A CB -1.186 17.796 19.000 -0.030 0.000 0.815 100 A HN 0.545 nan 8.150 nan 0.000 0.449 101 G N -0.766 108.004 108.800 -0.051 0.000 2.404 101 G HA2 -0.201 3.759 3.960 0.000 0.000 0.215 101 G HA3 -0.201 3.759 3.960 0.000 0.000 0.215 101 G C 1.451 176.323 174.900 -0.046 0.000 1.174 101 G CA 1.177 46.251 45.100 -0.044 0.000 0.780 101 G HN 0.572 nan 8.290 nan 0.000 0.537 102 E N -0.042 120.117 120.200 -0.068 0.000 2.347 102 E HA 0.107 4.457 4.350 0.000 0.000 0.196 102 E C 2.394 178.950 176.600 -0.073 0.000 1.008 102 E CA 0.209 56.566 56.400 -0.072 0.000 0.852 102 E CB -0.236 29.407 29.700 -0.094 0.000 0.783 102 E HN 0.444 nan 8.360 nan 0.000 0.505 103 L N -0.253 120.913 121.223 -0.095 0.000 2.156 103 L HA -0.063 4.277 4.340 0.000 0.000 0.208 103 L C 2.080 179.030 176.870 0.135 0.000 1.095 103 L CA 0.542 55.353 54.840 -0.048 0.000 0.770 103 L CB -0.165 41.808 42.059 -0.145 0.000 0.914 103 L HN 0.238 nan 8.230 nan 0.000 0.439 104 L N -0.718 120.543 121.223 0.063 0.000 2.072 104 L HA -0.150 4.190 4.340 0.000 0.000 0.205 104 L C 2.794 179.684 176.870 0.034 0.000 1.079 104 L CA 0.943 55.816 54.840 0.056 0.000 0.752 104 L CB -0.413 41.656 42.059 0.017 0.000 0.906 104 L HN 0.219 nan 8.230 nan 0.000 0.436 105 R N 0.439 120.947 120.500 0.013 0.000 2.073 105 R HA -0.156 4.184 4.340 0.000 0.000 0.234 105 R C 2.078 178.392 176.300 0.023 0.000 1.134 105 R CA 1.262 57.365 56.100 0.004 0.000 0.952 105 R CB 0.059 30.352 30.300 -0.011 0.000 0.850 105 R HN 0.113 nan 8.270 nan 0.000 0.433 106 K N -0.043 120.385 120.400 0.047 0.000 2.439 106 K HA -0.014 4.306 4.320 0.000 0.000 0.197 106 K C 1.607 178.272 176.600 0.108 0.000 1.041 106 K CA 0.922 57.255 56.287 0.076 0.000 0.970 106 K CB 0.238 32.791 32.500 0.088 0.000 0.773 106 K HN 0.287 nan 8.250 nan 0.000 0.479 107 A N 1.593 124.473 122.820 0.100 0.000 1.943 107 A HA -0.119 4.201 4.320 0.000 0.000 0.213 107 A C 1.982 179.560 177.584 -0.011 0.000 1.181 107 A CA 0.910 52.965 52.037 0.029 0.000 0.653 107 A CB -0.155 18.849 19.000 0.006 0.000 0.833 107 A HN 0.445 nan 8.150 nan 0.000 0.451 108 E N 0.317 120.517 120.200 -0.001 0.000 2.274 108 E HA -0.135 4.215 4.350 0.000 0.000 0.194 108 E C 1.312 177.907 176.600 -0.008 0.000 0.996 108 E CA 1.025 57.417 56.400 -0.013 0.000 0.840 108 E CB -0.322 29.369 29.700 -0.015 0.000 0.772 108 E HN 0.695 nan 8.360 nan 0.000 0.491 109 E N 0.832 121.034 120.200 0.003 0.000 2.204 109 E HA -0.085 4.265 4.350 0.000 0.000 0.194 109 E C 1.966 178.568 176.600 0.005 0.000 0.989 109 E CA 0.815 57.219 56.400 0.006 0.000 0.824 109 E CB 0.010 29.719 29.700 0.015 0.000 0.756 109 E HN 0.397 nan 8.360 nan 0.000 0.477 110 L N 0.099 121.323 121.223 0.002 0.000 2.249 110 L HA -0.015 4.325 4.340 0.000 0.000 0.207 110 L C 2.178 179.038 176.870 -0.017 0.000 1.090 110 L CA 0.362 55.199 54.840 -0.004 0.000 0.802 110 L CB -0.069 41.983 42.059 -0.010 0.000 0.947 110 L HN 0.129 nan 8.230 nan 0.000 0.453 111 L N -0.393 120.813 121.223 -0.027 0.000 2.240 111 L HA -0.118 4.222 4.340 0.000 0.000 0.211 111 L C 1.449 178.302 176.870 -0.029 0.000 1.106 111 L CA 0.819 55.637 54.840 -0.037 0.000 0.793 111 L CB -0.294 41.737 42.059 -0.046 0.000 0.927 111 L HN 0.200 nan 8.230 nan 0.000 0.446 112 D N -0.629 119.759 120.400 -0.020 0.000 2.347 112 D HA -0.090 4.551 4.640 0.000 0.000 0.213 112 D C 1.560 177.854 176.300 -0.010 0.000 0.985 112 D CA 0.619 54.610 54.000 -0.015 0.000 0.879 112 D CB 0.191 40.983 40.800 -0.013 0.000 0.919 112 D HN 0.289 nan 8.370 nan 0.000 0.526 113 Q N 0.119 119.915 119.800 -0.008 0.000 2.222 113 Q HA 0.165 4.505 4.340 0.000 0.000 0.206 113 Q C -0.149 175.849 176.000 -0.002 0.000 0.877 113 Q CA -0.122 55.679 55.803 -0.003 0.000 0.958 113 Q CB 0.383 29.122 28.738 0.002 0.000 1.075 113 Q HN 0.130 nan 8.270 nan 0.000 0.483 114 N N -0.773 117.922 118.700 -0.009 0.000 2.850 114 N HA -0.137 4.603 4.740 0.000 0.000 0.249 114 N C -0.709 174.803 175.510 0.003 0.000 1.060 114 N CA 0.484 53.529 53.050 -0.009 0.000 0.825 114 N CB -1.491 36.995 38.487 -0.001 0.000 1.132 114 N HN 0.053 nan 8.380 nan 0.000 0.564 115 V N 2.453 122.368 119.914 0.003 0.000 2.446 115 V HA -0.003 4.117 4.120 0.000 0.000 0.276 115 V C 1.256 177.368 176.094 0.031 0.000 1.030 115 V CA -0.179 62.134 62.300 0.022 0.000 1.033 115 V CB 0.625 32.453 31.823 0.008 0.000 0.993 115 V HN 0.229 nan 8.190 nan 0.000 0.477 116 H N 8.337 127.392 119.070 -0.025 0.000 3.064 116 H HA 0.009 4.565 4.556 0.000 0.000 0.329 116 H C -1.598 173.706 175.328 -0.040 0.000 1.020 116 H CA -1.083 54.950 56.048 -0.026 0.000 1.402 116 H CB 1.520 31.270 29.762 -0.019 0.000 1.379 116 H HN 0.396 nan 8.280 nan 0.000 0.594 117 P HA -0.155 nan 4.420 nan 0.000 0.217 117 P C 1.440 178.800 177.300 0.101 0.000 1.148 117 P CA 2.303 65.413 63.100 0.017 0.000 0.828 117 P CB 0.086 31.759 31.700 -0.046 0.000 0.783 118 T N -3.644 111.086 114.554 0.292 0.000 2.951 118 T HA -0.065 4.285 4.350 0.000 0.000 0.268 118 T C 1.689 176.412 174.700 0.038 0.000 1.073 118 T CA 0.805 62.978 62.100 0.122 0.000 1.134 118 T CB -0.833 68.061 68.868 0.043 0.000 0.884 118 T HN -0.091 nan 8.240 nan 0.000 0.479 119 I N 1.194 121.793 120.570 0.047 0.000 2.500 119 I HA 0.020 4.190 4.170 0.000 0.000 0.252 119 I C 2.607 178.716 176.117 -0.013 0.000 1.142 119 I CA 0.353 61.659 61.300 0.009 0.000 1.451 119 I CB -1.155 36.857 38.000 0.020 0.000 1.093 119 I HN 0.184 nan 8.210 nan 0.000 0.430 120 V N 0.344 120.228 119.914 -0.050 0.000 2.270 120 V HA -0.183 3.937 4.120 0.000 0.000 0.245 120 V C 2.573 178.530 176.094 -0.228 0.000 1.043 120 V CA 1.369 63.560 62.300 -0.182 0.000 1.014 120 V CB -0.481 31.186 31.823 -0.260 0.000 0.645 120 V HN 0.254 nan 8.190 nan 0.000 0.447 121 V N -0.171 119.665 119.914 -0.129 0.000 2.759 121 V HA -0.236 3.884 4.120 0.000 0.000 0.256 121 V C 2.419 178.540 176.094 0.044 0.000 1.080 121 V CA 2.398 64.678 62.300 -0.033 0.000 1.101 121 V CB -0.365 31.460 31.823 0.003 0.000 0.698 121 V HN 0.586 nan 8.190 nan 0.000 0.477 122 K N -0.350 120.065 120.400 0.025 0.000 2.031 122 K HA -0.044 4.276 4.320 0.000 0.000 0.205 122 K C 2.058 178.694 176.600 0.060 0.000 1.049 122 K CA 1.456 57.764 56.287 0.035 0.000 0.939 122 K CB -0.577 31.932 32.500 0.014 0.000 0.717 122 K HN 0.527 nan 8.250 nan 0.000 0.438 123 G N -0.478 108.369 108.800 0.078 0.000 2.421 123 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 123 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 123 G C 1.296 176.319 174.900 0.206 0.000 1.143 123 G CA 0.500 45.672 45.100 0.121 0.000 0.784 123 G HN 0.354 nan 8.290 nan 0.000 0.541 124 Y N 0.027 120.343 120.300 0.027 0.000 2.242 124 Y HA -0.130 4.420 4.550 0.000 0.000 0.291 124 Y C 3.108 178.928 175.900 -0.133 0.000 1.137 124 Y CA 1.195 59.318 58.100 0.039 0.000 1.181 124 Y CB 0.183 38.756 38.460 0.189 0.000 0.989 124 Y HN 0.250 nan 8.280 nan 0.000 0.527 125 Q N 0.029 119.888 119.800 0.098 0.000 2.137 125 Q HA -0.114 4.226 4.340 0.000 0.000 0.198 125 Q C 2.324 178.285 176.000 -0.064 0.000 0.960 125 Q CA 0.882 56.688 55.803 0.005 0.000 0.847 125 Q CB -0.040 28.723 28.738 0.041 0.000 0.915 125 Q HN 0.447 nan 8.270 nan 0.000 0.448 126 A N 0.541 123.346 122.820 -0.025 0.000 1.969 126 A HA -0.045 4.276 4.320 0.000 0.000 0.218 126 A C 2.128 179.680 177.584 -0.053 0.000 1.169 126 A CA 1.475 53.514 52.037 0.004 0.000 0.635 126 A CB -0.520 18.523 19.000 0.073 0.000 0.810 126 A HN 0.492 nan 8.150 nan 0.000 0.445 127 A N -0.450 122.243 122.820 -0.210 0.000 1.930 127 A HA 0.364 4.684 4.320 0.000 0.000 0.215 127 A C 2.380 179.562 177.584 -0.670 0.000 1.176 127 A CA 1.453 53.233 52.037 -0.428 0.000 0.632 127 A CB -0.721 17.890 19.000 -0.648 0.000 0.819 127 A HN 0.924 nan 8.150 nan 0.000 0.445 128 A N -0.909 121.469 122.820 -0.737 0.000 2.014 128 A HA -0.075 4.245 4.320 0.000 0.000 0.218 128 A C 2.059 179.523 177.584 -0.200 0.000 1.163 128 A CA 1.535 53.313 52.037 -0.432 0.000 0.652 128 A CB -0.380 18.498 19.000 -0.203 0.000 0.808 128 A HN 0.597 nan 8.150 nan 0.000 0.449 129 Q N -0.384 119.307 119.800 -0.182 0.000 2.020 129 Q HA -0.207 4.133 4.340 0.000 0.000 0.202 129 Q C 2.116 178.013 176.000 -0.171 0.000 0.982 129 Q CA 2.023 57.749 55.803 -0.129 0.000 0.838 129 Q CB -0.121 28.560 28.738 -0.095 0.000 0.899 129 Q HN 0.459 nan 8.270 nan 0.000 0.423 130 K N 0.102 120.340 120.400 -0.269 0.000 2.147 130 K HA -0.098 4.222 4.320 0.000 0.000 0.205 130 K C 1.619 178.063 176.600 -0.259 0.000 1.049 130 K CA 1.391 57.447 56.287 -0.385 0.000 0.936 130 K CB -0.407 31.600 32.500 -0.821 0.000 0.722 130 K HN 0.279 nan 8.250 nan 0.000 0.446 131 A N 0.234 122.935 122.820 -0.198 0.000 1.969 131 A HA -0.138 4.182 4.320 0.000 0.000 0.218 131 A C 1.982 179.530 177.584 -0.060 0.000 1.169 131 A CA 1.204 53.186 52.037 -0.091 0.000 0.635 131 A CB -0.375 18.620 19.000 -0.008 0.000 0.810 131 A HN 0.325 nan 8.150 nan 0.000 0.445 132 Q N -0.030 119.729 119.800 -0.069 0.000 2.083 132 Q HA -0.166 4.175 4.340 0.000 0.000 0.198 132 Q C 1.894 177.864 176.000 -0.050 0.000 0.969 132 Q CA 1.680 57.456 55.803 -0.044 0.000 0.838 132 Q CB -0.312 28.401 28.738 -0.040 0.000 0.900 132 Q HN 1.002 nan 8.270 nan 0.000 0.436 133 E N -0.186 119.969 120.200 -0.074 0.000 2.442 133 E HA -0.013 4.338 4.350 0.000 0.000 0.195 133 E C 1.854 178.414 176.600 -0.066 0.000 1.030 133 E CA 0.099 56.459 56.400 -0.066 0.000 0.869 133 E CB -0.075 29.579 29.700 -0.076 0.000 0.857 133 E HN 0.232 nan 8.360 nan 0.000 0.505 134 L N 0.520 121.697 121.223 -0.078 0.000 2.270 134 L HA 0.035 4.375 4.340 0.000 0.000 0.210 134 L C 2.347 179.200 176.870 -0.028 0.000 1.104 134 L CA 0.387 55.192 54.840 -0.057 0.000 0.804 134 L CB -0.034 41.982 42.059 -0.070 0.000 0.937 134 L HN 0.169 nan 8.230 nan 0.000 0.450 135 L N -0.505 120.704 121.223 -0.024 0.000 2.291 135 L HA -0.150 4.190 4.340 0.000 0.000 0.214 135 L C 2.369 179.234 176.870 -0.009 0.000 1.120 135 L CA 0.993 55.827 54.840 -0.009 0.000 0.799 135 L CB -0.203 41.853 42.059 -0.005 0.000 0.925 135 L HN 0.193 nan 8.230 nan 0.000 0.446 136 K N -0.536 119.855 120.400 -0.015 0.000 2.155 136 K HA -0.117 4.203 4.320 0.000 0.000 0.203 136 K C 2.114 178.709 176.600 -0.010 0.000 1.052 136 K CA 1.792 58.072 56.287 -0.012 0.000 0.948 136 K CB -0.145 32.346 32.500 -0.016 0.000 0.728 136 K HN 0.419 nan 8.250 nan 0.000 0.448 137 T N -0.175 114.371 114.554 -0.012 0.000 2.942 137 T HA -0.043 4.308 4.350 0.000 0.000 0.265 137 T C 1.851 176.549 174.700 -0.004 0.000 1.062 137 T CA 0.733 62.828 62.100 -0.008 0.000 1.139 137 T CB -0.428 68.433 68.868 -0.011 0.000 0.883 137 T HN 0.366 nan 8.240 nan 0.000 0.468 138 I N -0.428 120.142 120.570 -0.001 0.000 3.793 138 I HA 0.571 4.741 4.170 0.000 0.000 0.315 138 I C 0.879 177.000 176.117 0.005 0.000 1.275 138 I CA -0.830 60.473 61.300 0.005 0.000 1.214 138 I CB -0.392 37.617 38.000 0.015 0.000 1.018 138 I HN 0.149 nan 8.210 nan 0.000 0.439 139 A N 1.324 124.146 122.820 0.002 0.000 2.309 139 A HA 0.456 4.776 4.320 0.000 0.000 0.290 139 A C 0.209 177.794 177.584 0.001 0.000 1.206 139 A CA -0.406 51.632 52.037 0.003 0.000 0.850 139 A CB -0.087 18.914 19.000 0.001 0.000 1.118 139 A HN 0.516 nan 8.150 nan 0.000 0.523 140 C N 2.575 121.876 119.300 0.002 0.000 2.644 140 C HA 0.273 4.733 4.460 0.000 0.000 0.417 140 C C 0.644 175.634 174.990 0.001 0.000 1.304 140 C CA -0.549 58.469 59.018 0.001 0.000 2.035 140 C CB -0.424 27.317 27.740 0.001 0.000 2.673 140 C HN 0.750 nan 8.230 nan 0.000 0.602 141 E N 1.583 121.783 120.200 -0.000 0.000 2.229 141 E HA 0.478 4.828 4.350 0.000 0.000 0.283 141 E C -0.729 175.871 176.600 0.001 0.000 1.030 141 E CA -0.018 56.382 56.400 0.000 0.000 0.836 141 E CB 1.516 31.216 29.700 -0.001 0.000 1.068 141 E HN 0.441 nan 8.360 nan 0.000 0.401 142 V N 1.578 121.492 119.914 0.001 0.000 2.709 142 V HA 0.424 4.544 4.120 0.000 0.000 0.308 142 V C 0.443 176.537 176.094 0.001 0.000 1.062 142 V CA -1.035 61.266 62.300 0.001 0.000 0.901 142 V CB 2.279 34.103 31.823 0.002 0.000 1.003 142 V HN 0.770 nan 8.190 nan 0.000 0.425 143 G N 2.243 111.044 108.800 0.001 0.000 2.406 143 G HA2 0.422 4.382 3.960 0.000 0.000 0.251 143 G HA3 0.422 4.382 3.960 0.000 0.000 0.251 143 G C 1.017 175.918 174.900 0.002 0.000 1.271 143 G CA 0.264 45.365 45.100 0.002 0.000 0.859 143 G HN 1.189 nan 8.290 nan 0.000 0.540 144 A N 1.499 124.320 122.820 0.002 0.000 2.178 144 A HA -0.030 4.290 4.320 0.000 0.000 0.218 144 A C 1.776 179.361 177.584 0.002 0.000 1.157 144 A CA 1.350 53.389 52.037 0.002 0.000 0.689 144 A CB -0.019 18.982 19.000 0.002 0.000 0.787 144 A HN 0.638 nan 8.150 nan 0.000 0.465 145 Q N -0.596 119.205 119.800 0.003 0.000 2.135 145 Q HA 0.071 4.411 4.340 0.000 0.000 0.231 145 Q C -0.775 175.226 176.000 0.003 0.000 0.817 145 Q CA -0.257 55.548 55.803 0.003 0.000 1.073 145 Q CB 0.526 29.267 28.738 0.005 0.000 1.176 145 Q HN 0.404 nan 8.270 nan 0.000 0.478 146 D N 1.140 121.541 120.400 0.002 0.000 2.508 146 D HA 0.011 4.651 4.640 0.000 0.000 0.224 146 D C 0.618 176.919 176.300 0.001 0.000 1.171 146 D CA 0.272 54.273 54.000 0.002 0.000 1.006 146 D CB 0.548 41.349 40.800 0.002 0.000 1.073 146 D HN 0.164 nan 8.370 nan 0.000 0.513 147 K N 1.743 122.144 120.400 0.001 0.000 2.097 147 K HA -0.189 4.131 4.320 0.000 0.000 0.206 147 K C 1.638 178.238 176.600 0.000 0.000 1.049 147 K CA 1.135 57.422 56.287 0.001 0.000 0.933 147 K CB 0.221 32.721 32.500 0.001 0.000 0.717 147 K HN 0.522 nan 8.250 nan 0.000 0.442 148 E N 0.845 121.045 120.200 0.000 0.000 2.150 148 E HA -0.132 4.219 4.350 0.000 0.000 0.193 148 E C 1.883 178.483 176.600 0.001 0.000 0.985 148 E CA 0.968 57.368 56.400 0.000 0.000 0.814 148 E CB -0.315 29.385 29.700 -0.000 0.000 0.752 148 E HN 0.285 nan 8.360 nan 0.000 0.466 149 I N 0.828 121.398 120.570 0.001 0.000 2.400 149 I HA -0.149 4.021 4.170 0.000 0.000 0.248 149 I C 2.348 178.467 176.117 0.003 0.000 1.109 149 I CA 0.573 61.875 61.300 0.002 0.000 1.425 149 I CB -0.170 37.831 38.000 0.002 0.000 1.094 149 I HN 0.081 nan 8.210 nan 0.000 0.425 150 L N 0.421 121.645 121.223 0.002 0.000 2.079 150 L HA -0.221 4.119 4.340 0.000 0.000 0.210 150 L C 2.580 179.450 176.870 0.001 0.000 1.081 150 L CA 1.563 56.403 54.840 0.001 0.000 0.752 150 L CB -0.877 41.182 42.059 -0.000 0.000 0.896 150 L HN 0.284 nan 8.230 nan 0.000 0.433 151 T N -0.865 113.690 114.554 0.001 0.000 2.821 151 T HA -0.152 4.198 4.350 0.000 0.000 0.267 151 T C 1.891 176.592 174.700 0.002 0.000 1.046 151 T CA 1.037 63.137 62.100 0.000 0.000 1.139 151 T CB -0.027 68.840 68.868 -0.001 0.000 0.871 151 T HN 0.290 nan 8.240 nan 0.000 0.454 152 K N 0.540 120.942 120.400 0.003 0.000 2.148 152 K HA 0.092 4.412 4.320 0.000 0.000 0.204 152 K C 2.101 178.707 176.600 0.009 0.000 1.050 152 K CA 0.922 57.213 56.287 0.006 0.000 0.942 152 K CB -0.213 32.291 32.500 0.007 0.000 0.724 152 K HN 0.318 nan 8.250 nan 0.000 0.446 153 I N 0.774 121.348 120.570 0.007 0.000 2.286 153 I HA -0.228 3.942 4.170 0.000 0.000 0.245 153 I C 2.391 178.513 176.117 0.008 0.000 1.104 153 I CA 0.889 62.194 61.300 0.009 0.000 1.397 153 I CB -0.201 37.803 38.000 0.006 0.000 1.072 153 I HN 0.120 nan 8.210 nan 0.000 0.417 154 A N 0.073 122.897 122.820 0.006 0.000 1.930 154 A HA -0.222 4.098 4.320 0.000 0.000 0.217 154 A C 2.269 179.858 177.584 0.008 0.000 1.175 154 A CA 1.600 53.640 52.037 0.005 0.000 0.627 154 A CB -0.511 18.490 19.000 0.002 0.000 0.815 154 A HN 0.381 nan 8.150 nan 0.000 0.443 155 M N -0.613 118.992 119.600 0.008 0.000 2.200 155 M HA -0.062 4.418 4.480 0.000 0.000 0.265 155 M C 1.864 178.176 176.300 0.020 0.000 1.066 155 M CA 1.966 57.271 55.300 0.009 0.000 1.127 155 M CB -0.252 32.350 32.600 0.004 0.000 1.379 155 M HN 0.317 nan 8.290 nan 0.000 0.420 156 T N -1.018 113.550 114.554 0.023 0.000 2.995 156 T HA -0.057 4.293 4.350 0.000 0.000 0.269 156 T C 1.896 176.615 174.700 0.032 0.000 1.091 156 T CA 1.423 63.544 62.100 0.035 0.000 1.128 156 T CB -0.216 68.671 68.868 0.031 0.000 0.891 156 T HN 0.452 nan 8.240 nan 0.000 0.492 157 S N 0.609 116.323 115.700 0.022 0.000 2.377 157 S HA 0.070 4.540 4.470 0.000 0.000 0.223 157 S C 1.995 176.608 174.600 0.021 0.000 1.030 157 S CA 0.385 58.596 58.200 0.019 0.000 0.970 157 S CB -0.312 62.895 63.200 0.012 0.000 0.830 157 S HN 0.463 nan 8.310 nan 0.000 0.473 158 I N 1.404 121.987 120.570 0.021 0.000 2.226 158 I HA -0.088 4.082 4.170 0.000 0.000 0.245 158 I C 0.896 177.034 176.117 0.034 0.000 1.100 158 I CA 0.618 61.931 61.300 0.022 0.000 1.374 158 I CB -0.939 37.070 38.000 0.016 0.000 1.057 158 I HN 0.222 nan 8.210 nan 0.000 0.413 159 T N 0.832 115.414 114.554 0.047 0.000 2.926 159 T HA 0.333 4.683 4.350 0.000 0.000 0.307 159 T C 1.075 175.816 174.700 0.068 0.000 1.059 159 T CA 0.641 62.788 62.100 0.079 0.000 1.122 159 T CB 1.261 70.199 68.868 0.117 0.000 0.972 159 T HN 0.647 nan 8.240 nan 0.000 0.545 160 G N 1.972 110.815 108.800 0.071 0.000 2.313 160 G HA2 -0.233 3.727 3.960 0.000 0.000 0.215 160 G HA3 -0.233 3.727 3.960 0.000 0.000 0.215 160 G C 0.904 175.820 174.900 0.027 0.000 1.023 160 G CA 0.127 45.250 45.100 0.037 0.000 0.626 160 G HN 0.619 nan 8.290 nan 0.000 0.503 161 K N 1.105 121.524 120.400 0.032 0.000 2.426 161 K HA 0.451 4.771 4.320 0.000 0.000 0.193 161 K C 0.936 177.557 176.600 0.035 0.000 1.028 161 K CA 0.735 57.038 56.287 0.027 0.000 1.047 161 K CB 0.522 33.035 32.500 0.023 0.000 0.821 161 K HN 1.371 nan 8.250 nan 0.000 0.513 162 G N -0.189 108.643 108.800 0.053 0.000 2.435 162 G HA2 0.081 4.041 3.960 0.000 0.000 0.603 162 G HA3 0.081 4.041 3.960 0.000 0.000 0.603 162 G C 0.167 175.121 174.900 0.089 0.000 1.496 162 G CA -0.479 44.664 45.100 0.071 0.000 0.896 162 G HN -0.023 nan 8.290 nan 0.000 0.657 163 A N 0.826 123.729 122.820 0.138 0.000 2.019 163 A HA 0.036 4.356 4.320 0.000 0.000 0.219 163 A C 2.139 179.739 177.584 0.027 0.000 1.164 163 A CA 2.232 54.328 52.037 0.099 0.000 0.644 163 A CB -0.257 18.814 19.000 0.119 0.000 0.805 163 A HN 1.205 nan 8.150 nan 0.000 0.449 164 E N 0.626 120.847 120.200 0.035 0.000 2.274 164 E HA -0.153 4.197 4.350 0.000 0.000 0.194 164 E C 1.446 178.053 176.600 0.011 0.000 0.996 164 E CA 1.277 57.686 56.400 0.015 0.000 0.840 164 E CB -0.304 29.408 29.700 0.020 0.000 0.772 164 E HN 0.623 nan 8.360 nan 0.000 0.491 165 K N 0.788 121.199 120.400 0.019 0.000 2.228 165 K HA 0.144 4.464 4.320 0.000 0.000 0.202 165 K C 1.110 177.715 176.600 0.009 0.000 1.051 165 K CA 0.744 57.040 56.287 0.015 0.000 0.960 165 K CB 0.146 32.658 32.500 0.021 0.000 0.743 165 K HN 0.109 nan 8.250 nan 0.000 0.458 166 A N 2.529 125.354 122.820 0.008 0.000 3.026 166 A HA 0.036 4.356 4.320 0.000 0.000 0.272 166 A C -0.295 177.281 177.584 -0.013 0.000 1.782 166 A CA 0.088 52.125 52.037 0.000 0.000 1.451 166 A CB -0.570 18.431 19.000 0.002 0.000 1.081 166 A HN 0.085 nan 8.150 nan 0.000 0.611 167 K N 0.647 121.042 120.400 -0.009 0.000 2.174 167 K HA 0.168 4.488 4.320 0.000 0.000 0.275 167 K C 0.902 177.494 176.600 -0.012 0.000 1.015 167 K CA -0.547 55.732 56.287 -0.013 0.000 0.933 167 K CB 0.597 33.092 32.500 -0.008 0.000 1.025 167 K HN 0.571 nan 8.250 nan 0.000 0.463 168 E N 2.633 122.823 120.200 -0.016 0.000 2.070 168 E HA -0.246 4.104 4.350 0.000 0.000 0.197 168 E C 0.894 177.489 176.600 -0.008 0.000 1.004 168 E CA 1.818 58.210 56.400 -0.014 0.000 0.805 168 E CB 0.188 29.878 29.700 -0.017 0.000 0.744 168 E HN 0.518 nan 8.360 nan 0.000 0.451 169 K N 0.230 120.626 120.400 -0.007 0.000 2.362 169 K HA -0.123 4.197 4.320 0.000 0.000 0.200 169 K C 2.085 178.684 176.600 -0.002 0.000 1.046 169 K CA 0.294 56.579 56.287 -0.004 0.000 0.952 169 K CB -0.022 32.477 32.500 -0.002 0.000 0.753 169 K HN 0.036 nan 8.250 nan 0.000 0.466 170 L N 0.473 121.695 121.223 -0.002 0.000 2.131 170 L HA 0.034 4.374 4.340 0.000 0.000 0.206 170 L C 2.136 179.006 176.870 -0.001 0.000 1.087 170 L CA 1.290 56.130 54.840 -0.001 0.000 0.767 170 L CB -0.375 41.684 42.059 0.000 0.000 0.917 170 L HN 0.038 nan 8.230 nan 0.000 0.441 171 A N -0.561 122.257 122.820 -0.002 0.000 1.933 171 A HA -0.209 4.111 4.320 0.000 0.000 0.218 171 A C 2.135 179.718 177.584 -0.002 0.000 1.175 171 A CA 1.803 53.839 52.037 -0.002 0.000 0.628 171 A CB -0.594 18.405 19.000 -0.002 0.000 0.814 171 A HN 0.599 nan 8.150 nan 0.000 0.444 172 E N -0.364 119.834 120.200 -0.003 0.000 2.110 172 E HA -0.137 4.213 4.350 0.000 0.000 0.193 172 E C 1.829 178.428 176.600 -0.003 0.000 0.988 172 E CA 1.136 57.535 56.400 -0.003 0.000 0.804 172 E CB -0.281 29.418 29.700 -0.002 0.000 0.745 172 E HN 0.695 nan 8.360 nan 0.000 0.458 173 I N 0.867 121.436 120.570 -0.002 0.000 2.286 173 I HA -0.268 3.902 4.170 0.000 0.000 0.248 173 I C 2.246 178.360 176.117 -0.005 0.000 1.115 173 I CA 1.039 62.338 61.300 -0.003 0.000 1.392 173 I CB -0.105 37.894 38.000 -0.001 0.000 1.065 173 I HN 0.113 nan 8.210 nan 0.000 0.418 174 I N -0.370 120.198 120.570 -0.005 0.000 2.286 174 I HA -0.219 3.951 4.170 0.000 0.000 0.245 174 I C 2.446 178.558 176.117 -0.008 0.000 1.104 174 I CA 0.956 62.252 61.300 -0.007 0.000 1.397 174 I CB -0.256 37.742 38.000 -0.004 0.000 1.072 174 I HN -0.020 nan 8.210 nan 0.000 0.417 175 V N 0.688 120.599 119.914 -0.006 0.000 2.407 175 V HA -0.298 3.822 4.120 0.000 0.000 0.248 175 V C 2.417 178.506 176.094 -0.009 0.000 1.055 175 V CA 2.041 64.337 62.300 -0.006 0.000 1.049 175 V CB -0.617 31.203 31.823 -0.004 0.000 0.662 175 V HN 0.477 nan 8.190 nan 0.000 0.455 176 E N -0.185 120.010 120.200 -0.009 0.000 2.208 176 E HA -0.114 4.236 4.350 0.000 0.000 0.193 176 E C 2.195 178.784 176.600 -0.018 0.000 0.988 176 E CA 0.969 57.362 56.400 -0.011 0.000 0.828 176 E CB -0.091 29.604 29.700 -0.008 0.000 0.763 176 E HN 0.594 nan 8.360 nan 0.000 0.478 177 A N 0.178 122.987 122.820 -0.018 0.000 1.930 177 A HA -0.049 4.271 4.320 0.000 0.000 0.215 177 A C 2.264 179.832 177.584 -0.028 0.000 1.176 177 A CA 0.799 52.821 52.037 -0.025 0.000 0.632 177 A CB -0.256 18.731 19.000 -0.022 0.000 0.819 177 A HN 0.186 nan 8.150 nan 0.000 0.445 178 V N -0.178 119.723 119.914 -0.021 0.000 2.548 178 V HA -0.158 3.963 4.120 0.000 0.000 0.249 178 V C 2.635 178.716 176.094 -0.022 0.000 1.055 178 V CA 2.104 64.391 62.300 -0.020 0.000 1.065 178 V CB -0.632 31.182 31.823 -0.014 0.000 0.681 178 V HN 0.509 nan 8.190 nan 0.000 0.462 179 S N 0.221 115.909 115.700 -0.021 0.000 2.423 179 S HA -0.091 4.379 4.470 0.000 0.000 0.231 179 S C 2.162 176.742 174.600 -0.033 0.000 1.014 179 S CA 1.283 59.471 58.200 -0.020 0.000 0.965 179 S CB -0.276 62.915 63.200 -0.014 0.000 0.785 179 S HN 0.652 nan 8.310 nan 0.000 0.495 180 A N 1.028 123.820 122.820 -0.047 0.000 1.930 180 A HA 0.027 4.347 4.320 0.000 0.000 0.215 180 A C 2.068 179.599 177.584 -0.089 0.000 1.176 180 A CA 1.292 53.281 52.037 -0.080 0.000 0.632 180 A CB -0.542 18.408 19.000 -0.083 0.000 0.819 180 A HN 0.551 nan 8.150 nan 0.000 0.445 181 V N -1.921 117.956 119.914 -0.061 0.000 3.620 181 V HA 0.233 4.353 4.120 0.000 0.000 0.286 181 V C 0.365 176.437 176.094 -0.038 0.000 1.288 181 V CA -0.265 62.002 62.300 -0.054 0.000 1.178 181 V CB -0.952 30.845 31.823 -0.044 0.000 0.986 181 V HN 0.074 nan 8.190 nan 0.000 0.431 182 V N 4.208 124.102 119.914 -0.033 0.000 2.446 182 V HA 0.164 4.284 4.120 0.000 0.000 0.276 182 V C 0.282 176.371 176.094 -0.009 0.000 1.030 182 V CA -0.200 62.090 62.300 -0.017 0.000 1.033 182 V CB 0.417 32.234 31.823 -0.010 0.000 0.993 182 V HN 0.757 nan 8.190 nan 0.000 0.477 183 D N 4.119 124.516 120.400 -0.005 0.000 2.339 183 D HA 0.086 4.726 4.640 0.000 0.000 0.241 183 D C -0.409 175.897 176.300 0.009 0.000 1.183 183 D CA -0.584 53.418 54.000 0.003 0.000 0.859 183 D CB 0.951 41.752 40.800 0.001 0.000 1.067 183 D HN 0.388 nan 8.370 nan 0.000 0.484 184 D N 2.869 123.279 120.400 0.018 0.000 2.371 184 D HA 0.113 4.753 4.640 0.000 0.000 0.256 184 D C 0.224 176.533 176.300 0.015 0.000 1.193 184 D CA 0.273 54.284 54.000 0.018 0.000 0.881 184 D CB 1.092 41.909 40.800 0.029 0.000 1.143 184 D HN 0.464 nan 8.370 nan 0.000 0.473 185 E N 0.397 120.603 120.200 0.010 0.000 2.183 185 E HA 0.617 4.967 4.350 0.000 0.000 0.271 185 E C 0.315 176.918 176.600 0.005 0.000 0.919 185 E CA -1.003 55.402 56.400 0.008 0.000 0.781 185 E CB 2.139 31.844 29.700 0.007 0.000 1.140 185 E HN 0.526 nan 8.360 nan 0.000 0.402 186 G N 2.626 111.428 108.800 0.004 0.000 5.648 186 G HA2 0.018 3.978 3.960 0.000 0.000 0.192 186 G HA3 0.018 3.978 3.960 0.000 0.000 0.192 186 G C -0.123 174.778 174.900 0.001 0.000 0.694 186 G CA -0.416 44.686 45.100 0.004 0.000 0.654 186 G HN 0.077 nan 8.290 nan 0.000 0.324 187 K N 0.223 120.623 120.400 -0.000 0.000 2.090 187 K HA 0.677 4.997 4.320 0.000 0.000 0.249 187 K C -0.412 176.185 176.600 -0.005 0.000 0.995 187 K CA -0.648 55.638 56.287 -0.002 0.000 0.914 187 K CB 2.497 34.996 32.500 -0.002 0.000 1.057 187 K HN -0.027 nan 8.250 nan 0.000 0.462 188 V N 1.657 121.567 119.914 -0.006 0.000 2.357 188 V HA 0.068 4.188 4.120 0.000 0.000 0.284 188 V C -0.506 175.582 176.094 -0.010 0.000 1.018 188 V CA -0.881 61.413 62.300 -0.010 0.000 0.841 188 V CB 1.442 33.259 31.823 -0.010 0.000 0.991 188 V HN 0.603 nan 8.190 nan 0.000 0.437 189 D N 3.678 124.070 120.400 -0.013 0.000 2.339 189 D HA 0.279 4.920 4.640 0.000 0.000 0.241 189 D C 0.927 177.217 176.300 -0.016 0.000 1.183 189 D CA -0.327 53.664 54.000 -0.014 0.000 0.859 189 D CB 1.603 42.394 40.800 -0.015 0.000 1.067 189 D HN 0.351 nan 8.370 nan 0.000 0.484 190 K N 1.631 122.023 120.400 -0.014 0.000 2.280 190 K HA -0.061 4.259 4.320 0.000 0.000 0.202 190 K C 0.806 177.395 176.600 -0.018 0.000 1.047 190 K CA 0.887 57.165 56.287 -0.015 0.000 0.942 190 K CB 0.218 32.711 32.500 -0.011 0.000 0.739 190 K HN 0.392 nan 8.250 nan 0.000 0.457 191 D N -0.050 120.339 120.400 -0.019 0.000 2.363 191 D HA -0.014 4.626 4.640 0.000 0.000 0.220 191 D C 1.266 177.549 176.300 -0.028 0.000 0.994 191 D CA 0.544 54.531 54.000 -0.022 0.000 0.890 191 D CB 0.167 40.955 40.800 -0.020 0.000 0.906 191 D HN 0.165 nan 8.370 nan 0.000 0.530 192 L N 0.055 121.260 121.223 -0.029 0.000 2.375 192 L HA 0.146 4.486 4.340 0.000 0.000 0.215 192 L C 0.763 177.609 176.870 -0.039 0.000 1.108 192 L CA 0.292 55.111 54.840 -0.035 0.000 0.830 192 L CB 0.316 42.355 42.059 -0.033 0.000 0.959 192 L HN -0.125 nan 8.230 nan 0.000 0.457 193 I N 1.153 121.702 120.570 -0.035 0.000 2.282 193 I HA 0.059 4.229 4.170 0.000 0.000 0.290 193 I C 0.418 176.513 176.117 -0.038 0.000 1.090 193 I CA -0.065 61.213 61.300 -0.036 0.000 1.231 193 I CB 0.530 38.512 38.000 -0.030 0.000 1.434 193 I HN 0.002 nan 8.210 nan 0.000 0.487 194 K N 7.256 127.628 120.400 -0.047 0.000 2.339 194 K HA 0.394 4.714 4.320 0.000 0.000 0.286 194 K C -0.641 175.929 176.600 -0.049 0.000 1.050 194 K CA -0.265 55.992 56.287 -0.051 0.000 0.956 194 K CB 0.673 33.133 32.500 -0.067 0.000 0.990 194 K HN 0.539 nan 8.250 nan 0.000 0.475 195 I N 3.993 124.538 120.570 -0.042 0.000 2.330 195 I HA 0.144 4.314 4.170 0.000 0.000 0.289 195 I C -0.362 175.730 176.117 -0.042 0.000 1.001 195 I CA -0.584 60.693 61.300 -0.038 0.000 1.193 195 I CB 1.578 39.562 38.000 -0.027 0.000 1.345 195 I HN 0.629 nan 8.210 nan 0.000 0.461 196 E N 6.473 126.645 120.200 -0.048 0.000 2.183 196 E HA 0.420 4.770 4.350 0.000 0.000 0.271 196 E C -1.206 175.373 176.600 -0.035 0.000 0.919 196 E CA -0.695 55.674 56.400 -0.052 0.000 0.781 196 E CB 1.317 30.969 29.700 -0.080 0.000 1.140 196 E HN 0.283 nan 8.360 nan 0.000 0.402 197 K N 3.895 124.276 120.400 -0.031 0.000 2.464 197 K HA 0.413 4.733 4.320 0.000 0.000 0.252 197 K C -0.757 175.833 176.600 -0.016 0.000 1.000 197 K CA -0.895 55.379 56.287 -0.022 0.000 0.951 197 K CB 1.128 33.612 32.500 -0.025 0.000 1.183 197 K HN 0.198 nan 8.250 nan 0.000 0.445 198 K N 1.054 121.452 120.400 -0.004 0.000 2.385 198 K HA 0.314 4.634 4.320 0.000 0.000 0.248 198 K C 0.545 177.151 176.600 0.011 0.000 0.955 198 K CA -0.511 55.781 56.287 0.008 0.000 0.816 198 K CB 1.968 34.485 32.500 0.028 0.000 1.250 198 K HN 0.649 nan 8.250 nan 0.000 0.434 199 S N 0.116 115.823 115.700 0.011 0.000 2.136 199 S HA 0.549 5.019 4.470 0.000 0.000 0.205 199 S C 0.719 175.330 174.600 0.017 0.000 1.346 199 S CA 0.484 58.690 58.200 0.010 0.000 1.084 199 S CB -0.411 62.793 63.200 0.007 0.000 0.767 199 S HN 1.037 nan 8.310 nan 0.000 0.423 200 G N -0.743 108.066 108.800 0.016 0.000 2.603 200 G HA2 0.435 4.395 3.960 0.000 0.000 0.686 200 G HA3 0.435 4.395 3.960 0.000 0.000 0.686 200 G C -0.308 174.600 174.900 0.013 0.000 1.286 200 G CA -0.321 44.789 45.100 0.016 0.000 0.871 200 G HN 1.729 nan 8.290 nan 0.000 0.568 201 A N 0.366 123.193 122.820 0.012 0.000 2.774 201 A HA 0.839 5.159 4.320 0.000 0.000 0.326 201 A C 0.770 178.360 177.584 0.011 0.000 1.478 201 A CA 1.224 53.267 52.037 0.011 0.000 1.099 201 A CB 0.427 19.433 19.000 0.009 0.000 1.148 201 A HN 2.103 nan 8.150 nan 0.000 0.519 202 S N 1.489 117.196 115.700 0.012 0.000 3.894 202 S HA 0.521 4.991 4.470 0.000 0.000 0.189 202 S C 1.161 175.767 174.600 0.011 0.000 1.096 202 S CA 0.564 58.771 58.200 0.012 0.000 1.481 202 S CB -0.359 62.850 63.200 0.015 0.000 1.321 202 S HN 1.022 nan 8.310 nan 0.000 0.828 203 I N 1.108 121.685 120.570 0.012 0.000 3.969 203 I HA -0.344 3.826 4.170 0.000 0.000 0.133 203 I C 0.081 176.204 176.117 0.009 0.000 0.412 203 I CA 1.920 63.226 61.300 0.010 0.000 1.227 203 I CB -0.773 37.233 38.000 0.011 0.000 1.082 203 I HN 0.495 nan 8.210 nan 0.000 0.204 204 D N 0.123 120.528 120.400 0.008 0.000 2.389 204 D HA 0.044 4.684 4.640 0.000 0.000 0.206 204 D C 0.903 177.209 176.300 0.009 0.000 1.055 204 D CA 0.493 54.497 54.000 0.007 0.000 0.856 204 D CB 0.016 40.819 40.800 0.005 0.000 0.957 204 D HN 0.398 nan 8.370 nan 0.000 0.509 205 D N 0.380 120.787 120.400 0.012 0.000 2.342 205 D HA 0.001 4.641 4.640 0.000 0.000 0.221 205 D C 0.234 176.547 176.300 0.022 0.000 1.101 205 D CA 0.215 54.225 54.000 0.017 0.000 0.837 205 D CB -0.003 40.808 40.800 0.019 0.000 0.938 205 D HN 0.088 nan 8.370 nan 0.000 0.508 206 T N -0.332 114.232 114.554 0.017 0.000 2.779 206 T HA 0.343 4.694 4.350 0.000 0.000 0.296 206 T C 0.211 174.922 174.700 0.017 0.000 0.938 206 T CA -0.671 61.439 62.100 0.017 0.000 1.119 206 T CB 0.978 69.852 68.868 0.010 0.000 0.891 206 T HN 0.180 nan 8.240 nan 0.000 0.526 207 E N 2.494 122.708 120.200 0.023 0.000 2.299 207 E HA 0.594 4.944 4.350 0.000 0.000 0.265 207 E C -1.151 175.460 176.600 0.017 0.000 0.911 207 E CA -1.430 54.984 56.400 0.024 0.000 0.789 207 E CB 1.448 31.172 29.700 0.040 0.000 1.246 207 E HN 0.470 nan 8.360 nan 0.000 0.427 208 L N 2.395 123.626 121.223 0.013 0.000 2.260 208 L HA 0.407 4.748 4.340 0.000 0.000 0.289 208 L C -1.146 175.731 176.870 0.011 0.000 1.057 208 L CA -0.200 54.642 54.840 0.005 0.000 0.811 208 L CB 0.448 42.507 42.059 -0.000 0.000 1.184 208 L HN 0.587 nan 8.230 nan 0.000 0.429 209 I N 5.603 126.175 120.570 0.003 0.000 2.312 209 I HA 0.241 4.411 4.170 0.000 0.000 0.290 209 I C 0.327 176.440 176.117 -0.007 0.000 1.008 209 I CA -0.432 60.875 61.300 0.011 0.000 1.226 209 I CB 0.798 38.798 38.000 -0.001 0.000 1.371 209 I HN 0.539 nan 8.210 nan 0.000 0.468 210 K N 5.964 126.366 120.400 0.003 0.000 2.278 210 K HA 0.416 4.736 4.320 0.000 0.000 0.237 210 K C 0.330 176.925 176.600 -0.009 0.000 1.229 210 K CA -0.255 56.026 56.287 -0.010 0.000 1.155 210 K CB 0.250 32.748 32.500 -0.003 0.000 1.590 210 K HN 0.914 nan 8.250 nan 0.000 0.290 211 G N -0.483 108.301 108.800 -0.027 0.000 2.435 211 G HA2 0.268 4.228 3.960 0.000 0.000 0.228 211 G HA3 0.268 4.228 3.960 0.000 0.000 0.228 211 G C -1.584 173.273 174.900 -0.073 0.000 1.198 211 G CA -0.598 44.480 45.100 -0.036 0.000 0.948 211 G HN 0.092 nan 8.290 nan 0.000 0.487 212 V N 0.022 119.877 119.914 -0.098 0.000 2.962 212 V HA 0.730 4.850 4.120 0.000 0.000 0.313 212 V C -1.144 174.838 176.094 -0.188 0.000 1.099 212 V CA -0.688 61.525 62.300 -0.144 0.000 0.971 212 V CB 2.000 33.719 31.823 -0.172 0.000 1.028 212 V HN 0.724 nan 8.190 nan 0.000 0.430 213 L N 3.422 124.509 121.223 -0.225 0.000 2.294 213 L HA 0.623 4.963 4.340 0.000 0.000 0.283 213 L C -0.569 176.179 176.870 -0.204 0.000 1.015 213 L CA -0.025 54.631 54.840 -0.308 0.000 0.831 213 L CB 1.582 43.398 42.059 -0.405 0.000 1.217 213 L HN 0.491 nan 8.230 nan 0.000 0.420 214 V N 3.634 123.460 119.914 -0.146 0.000 2.383 214 V HA 0.196 4.316 4.120 0.000 0.000 0.275 214 V C 0.277 176.362 176.094 -0.014 0.000 1.036 214 V CA -0.608 61.646 62.300 -0.077 0.000 0.889 214 V CB 1.348 33.147 31.823 -0.040 0.000 0.985 214 V HN 0.612 nan 8.190 nan 0.000 0.459 215 D N 4.471 124.861 120.400 -0.018 0.000 2.941 215 D HA 0.108 4.748 4.640 0.000 0.000 0.236 215 D C 0.271 176.594 176.300 0.038 0.000 1.147 215 D CA 0.587 54.590 54.000 0.006 0.000 0.975 215 D CB -0.144 40.651 40.800 -0.008 0.000 1.162 215 D HN 0.421 nan 8.370 nan 0.000 0.444 216 K N 0.225 120.669 120.400 0.072 0.000 2.466 216 K HA 0.407 4.727 4.320 0.000 0.000 0.260 216 K C -0.393 176.262 176.600 0.091 0.000 1.011 216 K CA -0.667 55.671 56.287 0.086 0.000 0.871 216 K CB 2.107 34.678 32.500 0.118 0.000 1.404 216 K HN 0.080 nan 8.250 nan 0.000 0.450 217 E N 0.974 121.213 120.200 0.066 0.000 2.316 217 E HA 0.290 4.640 4.350 0.000 0.000 0.258 217 E C -0.605 176.012 176.600 0.027 0.000 0.952 217 E CA -1.069 55.363 56.400 0.053 0.000 0.818 217 E CB 1.339 31.062 29.700 0.038 0.000 1.260 217 E HN 0.403 nan 8.360 nan 0.000 0.416 218 R N 0.867 121.372 120.500 0.009 0.000 2.489 218 R HA 0.039 4.379 4.340 0.000 0.000 0.287 218 R C 0.684 176.975 176.300 -0.016 0.000 1.053 218 R CA -0.112 55.974 56.100 -0.023 0.000 1.036 218 R CB 0.532 30.817 30.300 -0.026 0.000 0.966 218 R HN 0.437 nan 8.270 nan 0.000 0.432 219 V N 2.218 122.115 119.914 -0.028 0.000 2.490 219 V HA -0.127 3.993 4.120 0.000 0.000 0.250 219 V C 0.685 176.773 176.094 -0.011 0.000 1.061 219 V CA 2.211 64.502 62.300 -0.015 0.000 1.064 219 V CB 0.025 31.838 31.823 -0.017 0.000 0.670 219 V HN 0.891 nan 8.190 nan 0.000 0.461 220 S N -1.762 113.928 115.700 -0.017 0.000 2.500 220 S HA 0.670 5.140 4.470 0.000 0.000 0.301 220 S C 0.766 175.359 174.600 -0.012 0.000 1.092 220 S CA -0.170 58.023 58.200 -0.011 0.000 1.030 220 S CB 1.758 64.952 63.200 -0.011 0.000 1.031 220 S HN 0.558 nan 8.310 nan 0.000 0.483 221 A N 3.315 126.132 122.820 -0.006 0.000 2.121 221 A HA -0.023 4.297 4.320 0.000 0.000 0.218 221 A C 1.834 179.413 177.584 -0.008 0.000 1.154 221 A CA 1.170 53.204 52.037 -0.005 0.000 0.679 221 A CB -0.485 18.514 19.000 -0.002 0.000 0.795 221 A HN 0.884 nan 8.150 nan 0.000 0.458 222 Q N -0.953 118.842 119.800 -0.009 0.000 2.435 222 Q HA 0.098 4.438 4.340 0.000 0.000 0.207 222 Q C 0.248 176.235 176.000 -0.022 0.000 0.956 222 Q CA 0.027 55.823 55.803 -0.013 0.000 0.917 222 Q CB -0.095 28.637 28.738 -0.011 0.000 0.997 222 Q HN 0.700 nan 8.270 nan 0.000 0.497 223 M N 1.614 121.199 119.600 -0.026 0.000 2.242 223 M HA 0.237 4.717 4.480 0.000 0.000 0.344 223 M C -2.071 174.213 176.300 -0.026 0.000 1.140 223 M CA -1.940 53.340 55.300 -0.032 0.000 1.160 223 M CB 0.558 33.133 32.600 -0.041 0.000 1.491 223 M HN -0.107 nan 8.290 nan 0.000 0.459 224 P HA 0.020 nan 4.420 nan 0.000 0.270 224 P C -0.458 176.832 177.300 -0.017 0.000 1.227 224 P CA -0.009 63.079 63.100 -0.019 0.000 0.788 224 P CB 0.507 32.196 31.700 -0.018 0.000 0.926 225 K N 0.372 120.766 120.400 -0.010 0.000 2.438 225 K HA 0.173 4.493 4.320 0.000 0.000 0.206 225 K C -0.134 176.466 176.600 0.000 0.000 1.081 225 K CA 0.057 56.342 56.287 -0.004 0.000 1.053 225 K CB 0.450 32.946 32.500 -0.006 0.000 0.908 225 K HN 0.231 nan 8.250 nan 0.000 0.556 226 K N 1.189 121.589 120.400 -0.001 0.000 2.616 226 K HA 0.230 4.550 4.320 0.000 0.000 0.255 226 K C -1.918 174.685 176.600 0.005 0.000 0.995 226 K CA -0.605 55.684 56.287 0.003 0.000 0.860 226 K CB 2.064 34.560 32.500 -0.007 0.000 1.264 226 K HN -0.111 nan 8.250 nan 0.000 0.451 227 V N 2.900 122.823 119.914 0.015 0.000 2.531 227 V HA 0.443 4.563 4.120 0.000 0.000 0.301 227 V C -0.084 176.023 176.094 0.023 0.000 1.034 227 V CA -0.790 61.519 62.300 0.015 0.000 0.865 227 V CB 1.655 33.487 31.823 0.015 0.000 0.995 227 V HN 0.901 nan 8.190 nan 0.000 0.424 228 T N 0.047 114.611 114.554 0.017 0.000 2.902 228 T HA 0.443 4.793 4.350 0.000 0.000 0.283 228 T C -0.096 174.617 174.700 0.021 0.000 1.009 228 T CA -0.540 61.572 62.100 0.020 0.000 1.051 228 T CB 1.173 70.049 68.868 0.014 0.000 0.999 228 T HN 0.711 nan 8.240 nan 0.000 0.474 229 D N 0.376 120.791 120.400 0.026 0.000 2.704 229 D HA -0.150 4.490 4.640 0.000 0.000 0.232 229 D C 0.343 176.660 176.300 0.028 0.000 1.183 229 D CA 0.952 54.968 54.000 0.026 0.000 0.647 229 D CB -1.217 39.595 40.800 0.020 0.000 1.013 229 D HN 1.034 nan 8.370 nan 0.000 0.415 230 A N 0.766 123.608 122.820 0.036 0.000 2.354 230 A HA 0.416 4.736 4.320 0.000 0.000 0.269 230 A C 0.473 178.082 177.584 0.042 0.000 1.109 230 A CA -0.307 51.752 52.037 0.037 0.000 0.800 230 A CB 0.771 19.799 19.000 0.045 0.000 1.045 230 A HN 0.077 nan 8.150 nan 0.000 0.489 231 K N 1.946 122.368 120.400 0.036 0.000 2.263 231 K HA 0.540 4.860 4.320 0.000 0.000 0.272 231 K C -0.961 175.668 176.600 0.049 0.000 1.033 231 K CA 0.302 56.613 56.287 0.039 0.000 0.884 231 K CB 1.113 33.630 32.500 0.028 0.000 1.107 231 K HN 0.547 nan 8.250 nan 0.000 0.460 232 I N 2.409 123.022 120.570 0.072 0.000 2.336 232 I HA 0.425 4.595 4.170 0.000 0.000 0.292 232 I C -0.119 176.057 176.117 0.099 0.000 0.991 232 I CA -0.913 60.452 61.300 0.109 0.000 1.227 232 I CB 1.679 39.781 38.000 0.170 0.000 1.366 232 I HN 0.587 nan 8.210 nan 0.000 0.466 233 A N 7.320 130.197 122.820 0.095 0.000 2.317 233 A HA 0.818 5.138 4.320 0.000 0.000 0.327 233 A C -0.992 176.661 177.584 0.115 0.000 1.178 233 A CA -0.458 51.626 52.037 0.079 0.000 0.817 233 A CB 0.916 19.944 19.000 0.047 0.000 1.189 233 A HN 0.559 nan 8.150 nan 0.000 0.489 234 L N 2.438 123.720 121.223 0.098 0.000 2.305 234 L HA 0.535 4.876 4.340 0.000 0.000 0.284 234 L C -0.549 176.366 176.870 0.074 0.000 1.013 234 L CA 0.214 55.120 54.840 0.109 0.000 0.819 234 L CB 1.426 43.534 42.059 0.082 0.000 1.227 234 L HN 0.636 nan 8.230 nan 0.000 0.417 235 L N 3.112 124.383 121.223 0.079 0.000 2.349 235 L HA 0.451 4.791 4.340 0.000 0.000 0.278 235 L C 0.698 177.598 176.870 0.050 0.000 0.996 235 L CA -0.457 54.415 54.840 0.054 0.000 0.825 235 L CB 1.808 43.895 42.059 0.047 0.000 1.243 235 L HN 0.543 nan 8.230 nan 0.000 0.412 236 N N 0.872 119.594 118.700 0.037 0.000 2.422 236 N HA -0.020 4.720 4.740 0.000 0.000 0.181 236 N C 0.221 175.747 175.510 0.027 0.000 1.080 236 N CA 0.069 53.138 53.050 0.030 0.000 0.893 236 N CB 0.267 38.767 38.487 0.023 0.000 0.973 236 N HN 0.538 nan 8.380 nan 0.000 0.456 237 C N 0.936 120.253 119.300 0.028 0.000 2.534 237 C HA 0.733 5.193 4.460 0.000 0.000 0.385 237 C C 0.454 175.460 174.990 0.027 0.000 1.264 237 C CA -0.851 58.182 59.018 0.025 0.000 2.342 237 C CB -0.522 27.232 27.740 0.023 0.000 2.564 237 C HN 0.463 nan 8.230 nan 0.000 0.603 238 A N 5.561 128.396 122.820 0.025 0.000 2.320 238 A HA 0.517 4.837 4.320 0.000 0.000 0.287 238 A C 0.258 177.859 177.584 0.028 0.000 1.181 238 A CA -0.378 51.674 52.037 0.026 0.000 0.831 238 A CB -0.001 19.013 19.000 0.024 0.000 1.102 238 A HN 0.852 nan 8.150 nan 0.000 0.513 239 I N 2.866 123.455 120.570 0.031 0.000 2.546 239 I HA 0.050 4.220 4.170 0.000 0.000 0.275 239 I C 0.392 176.533 176.117 0.039 0.000 1.032 239 I CA 0.566 61.887 61.300 0.035 0.000 2.040 239 I CB -1.018 37.004 38.000 0.037 0.000 1.464 239 I HN 0.719 nan 8.210 nan 0.000 0.865 240 E N 1.474 121.695 120.200 0.035 0.000 2.449 240 E HA 0.529 4.879 4.350 0.000 0.000 0.254 240 E C -0.429 176.193 176.600 0.036 0.000 0.907 240 E CA -1.133 55.289 56.400 0.037 0.000 0.840 240 E CB 1.831 31.549 29.700 0.030 0.000 1.459 240 E HN 0.042 nan 8.360 nan 0.000 0.407 241 I N 1.546 122.137 120.570 0.036 0.000 2.588 241 I HA 0.058 4.228 4.170 0.000 0.000 0.283 241 I C 0.141 176.275 176.117 0.028 0.000 1.119 241 I CA 0.187 61.509 61.300 0.035 0.000 1.419 241 I CB -0.060 37.963 38.000 0.038 0.000 1.394 241 I HN 0.320 nan 8.210 nan 0.000 0.562 242 K N 6.265 126.682 120.400 0.027 0.000 2.219 242 K HA 0.236 4.556 4.320 0.000 0.000 0.280 242 K C -0.142 176.471 176.600 0.022 0.000 1.104 242 K CA -0.251 56.050 56.287 0.023 0.000 0.925 242 K CB 0.432 32.945 32.500 0.021 0.000 1.261 242 K HN 0.496 nan 8.250 nan 0.000 0.445 243 E N 1.914 122.125 120.200 0.018 0.000 2.338 243 E HA 0.013 4.363 4.350 0.000 0.000 0.272 243 E C 0.108 176.716 176.600 0.012 0.000 1.029 243 E CA -0.294 56.114 56.400 0.014 0.000 0.872 243 E CB 0.772 30.477 29.700 0.009 0.000 1.015 243 E HN 0.463 nan 8.360 nan 0.000 0.417 244 T N 0.682 115.243 114.554 0.012 0.000 2.926 244 T HA 0.031 4.381 4.350 0.000 0.000 0.307 244 T C 1.018 175.723 174.700 0.008 0.000 1.059 244 T CA -0.717 61.390 62.100 0.011 0.000 1.122 244 T CB 1.119 69.994 68.868 0.012 0.000 0.972 244 T HN 0.366 nan 8.240 nan 0.000 0.545 245 E N 1.517 121.722 120.200 0.008 0.000 2.047 245 E HA -0.048 4.302 4.350 0.000 0.000 0.191 245 E C 1.172 177.775 176.600 0.004 0.000 0.987 245 E CA 1.264 57.668 56.400 0.006 0.000 0.799 245 E CB -0.651 29.052 29.700 0.006 0.000 0.752 245 E HN 0.921 nan 8.360 nan 0.000 0.449 246 T N 1.938 116.495 114.554 0.005 0.000 2.784 246 T HA 0.061 4.411 4.350 0.000 0.000 0.291 246 T C 0.085 174.786 174.700 0.002 0.000 0.942 246 T CA -0.610 61.493 62.100 0.004 0.000 1.161 246 T CB 0.479 69.349 68.868 0.005 0.000 0.885 246 T HN -0.175 nan 8.240 nan 0.000 0.534 247 D N 2.708 123.108 120.400 0.000 0.000 2.586 247 D HA 0.327 4.967 4.640 0.000 0.000 0.234 247 D C 0.158 176.455 176.300 -0.004 0.000 1.132 247 D CA 0.571 54.570 54.000 -0.002 0.000 0.860 247 D CB 0.407 41.205 40.800 -0.004 0.000 1.159 247 D HN 0.890 nan 8.370 nan 0.000 0.490 248 A N 2.862 125.678 122.820 -0.006 0.000 2.401 248 A HA 0.609 4.929 4.320 0.000 0.000 0.310 248 A C -0.351 177.219 177.584 -0.023 0.000 1.075 248 A CA -0.649 51.382 52.037 -0.010 0.000 0.746 248 A CB 1.968 20.966 19.000 -0.002 0.000 1.277 248 A HN 0.516 nan 8.150 nan 0.000 0.425 249 E N 1.168 121.349 120.200 -0.032 0.000 2.308 249 E HA 0.571 4.921 4.350 0.000 0.000 0.275 249 E C -1.429 175.121 176.600 -0.083 0.000 0.890 249 E CA -0.491 55.875 56.400 -0.056 0.000 0.754 249 E CB 1.757 31.430 29.700 -0.045 0.000 1.207 249 E HN 0.638 nan 8.360 nan 0.000 0.426 250 I N 3.001 123.481 120.570 -0.150 0.000 2.499 250 I HA 0.418 4.588 4.170 0.000 0.000 0.296 250 I C -0.034 175.960 176.117 -0.205 0.000 0.992 250 I CA -0.777 60.375 61.300 -0.248 0.000 1.297 250 I CB 0.954 38.625 38.000 -0.548 0.000 1.410 250 I HN 0.219 nan 8.210 nan 0.000 0.507 251 R N 5.817 126.226 120.500 -0.153 0.000 2.409 251 R HA 0.538 4.878 4.340 0.000 0.000 0.313 251 R C -1.257 175.020 176.300 -0.039 0.000 0.953 251 R CA -0.883 55.169 56.100 -0.081 0.000 0.849 251 R CB 1.647 31.930 30.300 -0.029 0.000 1.171 251 R HN 0.446 nan 8.270 nan 0.000 0.458 252 I N 1.748 122.297 120.570 -0.035 0.000 2.354 252 I HA 0.219 4.389 4.170 0.000 0.000 0.292 252 I C 1.423 177.562 176.117 0.037 0.000 0.989 252 I CA 0.076 61.401 61.300 0.041 0.000 1.188 252 I CB 1.946 39.972 38.000 0.044 0.000 1.342 252 I HN 0.648 nan 8.210 nan 0.000 0.457 253 T N -0.716 113.870 114.554 0.054 0.000 2.955 253 T HA 0.208 4.559 4.350 0.000 0.000 0.251 253 T C 0.280 175.003 174.700 0.038 0.000 1.002 253 T CA -0.146 61.975 62.100 0.036 0.000 0.970 253 T CB -0.018 68.869 68.868 0.031 0.000 1.091 253 T HN 0.399 nan 8.240 nan 0.000 0.495 254 D N 2.943 123.374 120.400 0.051 0.000 2.233 254 D HA 0.376 5.016 4.640 0.000 0.000 0.240 254 D C -1.378 174.951 176.300 0.048 0.000 1.074 254 D CA -2.560 51.466 54.000 0.042 0.000 0.838 254 D CB 2.161 42.984 40.800 0.038 0.000 1.124 254 D HN -0.095 nan 8.370 nan 0.000 0.475 255 P HA -0.151 nan 4.420 nan 0.000 0.219 255 P C 0.772 178.094 177.300 0.037 0.000 1.146 255 P CA 0.688 63.809 63.100 0.034 0.000 0.808 255 P CB 0.219 31.933 31.700 0.023 0.000 0.779 256 A N -0.073 122.765 122.820 0.030 0.000 2.167 256 A HA -0.035 4.285 4.320 0.000 0.000 0.214 256 A C 2.103 179.704 177.584 0.028 0.000 1.151 256 A CA 0.841 52.892 52.037 0.023 0.000 0.735 256 A CB -0.655 18.352 19.000 0.011 0.000 0.802 256 A HN 0.020 nan 8.150 nan 0.000 0.467 257 K N -0.230 120.202 120.400 0.054 0.000 2.418 257 K HA 0.167 4.487 4.320 0.000 0.000 0.195 257 K C 1.490 178.193 176.600 0.171 0.000 1.035 257 K CA 0.173 56.508 56.287 0.080 0.000 1.003 257 K CB -0.202 32.382 32.500 0.141 0.000 0.793 257 K HN 0.522 nan 8.250 nan 0.000 0.494 258 L N 0.351 121.656 121.223 0.137 0.000 1.976 258 L HA -0.169 4.171 4.340 0.000 0.000 0.209 258 L C 2.363 179.313 176.870 0.134 0.000 1.071 258 L CA 1.148 56.077 54.840 0.148 0.000 0.746 258 L CB -0.400 41.709 42.059 0.082 0.000 0.890 258 L HN 0.124 nan 8.230 nan 0.000 0.432 259 M N -0.720 118.924 119.600 0.074 0.000 2.358 259 M HA -0.175 4.305 4.480 0.000 0.000 0.264 259 M C 2.062 178.381 176.300 0.031 0.000 1.064 259 M CA 1.391 56.721 55.300 0.050 0.000 1.093 259 M CB -1.008 31.608 32.600 0.026 0.000 1.401 259 M HN 0.310 nan 8.290 nan 0.000 0.440 260 E N -0.240 119.958 120.200 -0.003 0.000 2.038 260 E HA -0.183 4.167 4.350 0.000 0.000 0.195 260 E C 1.943 178.460 176.600 -0.138 0.000 1.000 260 E CA 1.415 57.741 56.400 -0.123 0.000 0.803 260 E CB -0.183 29.355 29.700 -0.270 0.000 0.750 260 E HN 0.434 nan 8.360 nan 0.000 0.448 261 F N 0.654 120.608 119.950 0.008 0.000 2.163 261 F HA -0.106 4.421 4.527 0.000 0.000 0.297 261 F C 2.293 178.100 175.800 0.012 0.000 1.094 261 F CA 0.695 58.700 58.000 0.009 0.000 1.290 261 F CB -0.181 38.823 39.000 0.007 0.000 1.017 261 F HN -0.023 nan 8.300 nan 0.000 0.483 262 I N -0.006 120.683 120.570 0.198 0.000 2.179 262 I HA -0.275 3.895 4.170 0.000 0.000 0.242 262 I C 2.111 178.278 176.117 0.083 0.000 1.088 262 I CA 1.596 62.967 61.300 0.118 0.000 1.357 262 I CB -0.537 37.515 38.000 0.087 0.000 1.051 262 I HN 0.149 nan 8.210 nan 0.000 0.409 263 E N 0.126 120.360 120.200 0.056 0.000 2.208 263 E HA -0.263 4.087 4.350 0.000 0.000 0.193 263 E C 2.071 178.686 176.600 0.024 0.000 0.988 263 E CA 0.791 57.213 56.400 0.036 0.000 0.828 263 E CB 0.006 29.715 29.700 0.015 0.000 0.763 263 E HN 0.383 nan 8.360 nan 0.000 0.478 264 Q N 1.227 121.036 119.800 0.015 0.000 2.137 264 Q HA -0.146 4.194 4.340 0.000 0.000 0.198 264 Q C 1.750 177.774 176.000 0.040 0.000 0.960 264 Q CA 1.442 57.248 55.803 0.005 0.000 0.847 264 Q CB 0.078 28.794 28.738 -0.035 0.000 0.915 264 Q HN 0.201 nan 8.270 nan 0.000 0.448 265 E N 0.044 120.290 120.200 0.076 0.000 2.072 265 E HA -0.211 4.139 4.350 0.000 0.000 0.191 265 E C 1.517 178.159 176.600 0.071 0.000 0.985 265 E CA 1.326 57.774 56.400 0.080 0.000 0.801 265 E CB 0.001 29.759 29.700 0.096 0.000 0.750 265 E HN 0.689 nan 8.360 nan 0.000 0.452 266 E N 0.305 120.552 120.200 0.079 0.000 2.482 266 E HA -0.139 4.211 4.350 0.000 0.000 0.196 266 E C 1.820 178.461 176.600 0.068 0.000 1.047 266 E CA 0.455 56.921 56.400 0.110 0.000 0.869 266 E CB 0.024 29.810 29.700 0.144 0.000 0.836 266 E HN 0.018 nan 8.360 nan 0.000 0.520 267 K N 0.678 121.092 120.400 0.024 0.000 2.365 267 K HA 0.053 4.373 4.320 0.000 0.000 0.197 267 K C 1.836 178.417 176.600 -0.033 0.000 1.042 267 K CA 0.402 56.673 56.287 -0.026 0.000 0.987 267 K CB 0.094 32.581 32.500 -0.022 0.000 0.779 267 K HN 0.178 nan 8.250 nan 0.000 0.484 268 M N 0.225 119.826 119.600 0.001 0.000 2.349 268 M HA -0.062 4.418 4.480 0.000 0.000 0.266 268 M C 1.354 177.657 176.300 0.004 0.000 1.076 268 M CA 0.594 55.896 55.300 0.003 0.000 1.126 268 M CB 0.148 32.762 32.600 0.023 0.000 1.392 268 M HN 0.073 nan 8.290 nan 0.000 0.440 269 L N 0.305 121.542 121.223 0.023 0.000 2.209 269 L HA -0.019 4.321 4.340 0.000 0.000 0.207 269 L C 2.133 178.980 176.870 -0.039 0.000 1.094 269 L CA 1.646 56.518 54.840 0.053 0.000 0.790 269 L CB -0.640 41.514 42.059 0.157 0.000 0.932 269 L HN 0.154 nan 8.230 nan 0.000 0.447 270 K N -0.452 119.824 120.400 -0.207 0.000 2.097 270 K HA -0.143 4.177 4.320 0.000 0.000 0.205 270 K C 1.579 178.048 176.600 -0.219 0.000 1.050 270 K CA 1.259 57.274 56.287 -0.452 0.000 0.938 270 K CB -0.065 32.119 32.500 -0.527 0.000 0.718 270 K HN 0.255 nan 8.250 nan 0.000 0.442 271 D N 0.739 121.064 120.400 -0.124 0.000 2.117 271 D HA -0.128 4.512 4.640 0.000 0.000 0.198 271 D C 1.872 178.143 176.300 -0.049 0.000 0.982 271 D CA 1.263 55.218 54.000 -0.074 0.000 0.828 271 D CB -0.048 40.724 40.800 -0.047 0.000 0.967 271 D HN 0.180 nan 8.370 nan 0.000 0.464 272 M N 0.118 119.699 119.600 -0.032 0.000 2.132 272 M HA -0.121 4.359 4.480 0.000 0.000 0.263 272 M C 2.303 178.599 176.300 -0.007 0.000 1.065 272 M CA 0.861 56.156 55.300 -0.008 0.000 1.122 272 M CB -0.076 32.531 32.600 0.012 0.000 1.365 272 M HN -0.118 nan 8.290 nan 0.000 0.411 273 V N 0.291 120.199 119.914 -0.010 0.000 2.427 273 V HA -0.209 3.911 4.120 0.000 0.000 0.248 273 V C 2.530 178.611 176.094 -0.021 0.000 1.051 273 V CA 1.878 64.179 62.300 0.001 0.000 1.048 273 V CB -1.147 30.698 31.823 0.037 0.000 0.666 273 V HN 0.514 nan 8.190 nan 0.000 0.456 274 A N -0.589 122.202 122.820 -0.048 0.000 2.066 274 A HA -0.150 4.170 4.320 0.000 0.000 0.218 274 A C 2.129 179.697 177.584 -0.027 0.000 1.157 274 A CA 1.317 53.327 52.037 -0.044 0.000 0.670 274 A CB -0.327 18.635 19.000 -0.064 0.000 0.804 274 A HN 0.616 nan 8.150 nan 0.000 0.453 275 E N -0.496 119.692 120.200 -0.021 0.000 2.216 275 E HA 0.002 4.352 4.350 0.000 0.000 0.192 275 E C 1.580 178.177 176.600 -0.005 0.000 0.988 275 E CA 0.637 57.029 56.400 -0.012 0.000 0.834 275 E CB -0.098 29.597 29.700 -0.009 0.000 0.772 275 E HN 0.703 nan 8.360 nan 0.000 0.479 276 I N 0.953 121.521 120.570 -0.004 0.000 2.406 276 I HA -0.173 3.997 4.170 0.000 0.000 0.249 276 I C 2.439 178.555 176.117 -0.001 0.000 1.122 276 I CA 0.766 62.067 61.300 0.001 0.000 1.431 276 I CB -0.030 37.972 38.000 0.003 0.000 1.087 276 I HN -0.058 nan 8.210 nan 0.000 0.424 277 K N 1.521 121.917 120.400 -0.006 0.000 2.283 277 K HA -0.093 4.227 4.320 0.000 0.000 0.202 277 K C 2.038 178.635 176.600 -0.006 0.000 1.048 277 K CA 1.047 57.330 56.287 -0.007 0.000 0.948 277 K CB 0.051 32.545 32.500 -0.011 0.000 0.742 277 K HN 0.291 nan 8.250 nan 0.000 0.458 278 A N 0.738 123.555 122.820 -0.006 0.000 2.066 278 A HA -0.103 4.217 4.320 0.000 0.000 0.218 278 A C 1.964 179.547 177.584 -0.001 0.000 1.157 278 A CA 1.720 53.754 52.037 -0.005 0.000 0.670 278 A CB -0.334 18.662 19.000 -0.007 0.000 0.804 278 A HN 0.480 nan 8.150 nan 0.000 0.453 279 S N -2.258 113.443 115.700 0.001 0.000 2.470 279 S HA 0.363 4.833 4.470 0.000 0.000 0.225 279 S C 1.452 176.055 174.600 0.006 0.000 1.006 279 S CA 1.114 59.317 58.200 0.005 0.000 0.934 279 S CB -0.122 63.083 63.200 0.009 0.000 0.778 279 S HN 1.826 nan 8.310 nan 0.000 0.517 280 G N 0.681 109.484 108.800 0.004 0.000 2.148 280 G HA2 0.016 3.976 3.960 0.000 0.000 0.203 280 G HA3 0.016 3.976 3.960 0.000 0.000 0.203 280 G C 0.103 175.007 174.900 0.006 0.000 0.993 280 G CA -0.219 44.883 45.100 0.004 0.000 0.661 280 G HN 1.192 nan 8.290 nan 0.000 0.518 281 A N 0.506 123.331 122.820 0.007 0.000 2.366 281 A HA 0.635 4.955 4.320 0.000 0.000 0.272 281 A C 0.989 178.574 177.584 0.001 0.000 1.135 281 A CA 0.468 52.511 52.037 0.010 0.000 0.804 281 A CB 0.310 19.319 19.000 0.015 0.000 1.064 281 A HN 0.963 nan 8.150 nan 0.000 0.499 282 N N 1.211 119.911 118.700 -0.000 0.000 2.177 282 N HA 0.196 4.936 4.740 0.000 0.000 0.218 282 N C -0.767 174.727 175.510 -0.027 0.000 1.182 282 N CA -0.008 53.035 53.050 -0.012 0.000 0.882 282 N CB 0.603 39.086 38.487 -0.006 0.000 1.052 282 N HN 0.223 nan 8.380 nan 0.000 0.519 283 V N 1.009 120.905 119.914 -0.029 0.000 2.777 283 V HA 0.503 4.623 4.120 0.000 0.000 0.306 283 V C -1.627 174.411 176.094 -0.093 0.000 1.112 283 V CA -0.910 61.343 62.300 -0.079 0.000 0.917 283 V CB 2.392 34.192 31.823 -0.038 0.000 1.018 283 V HN 0.160 nan 8.190 nan 0.000 0.426 284 L N 4.957 126.043 121.223 -0.229 0.000 2.438 284 L HA 0.722 5.062 4.340 0.000 0.000 0.270 284 L C -1.742 174.928 176.870 -0.333 0.000 0.972 284 L CA 0.045 54.785 54.840 -0.166 0.000 0.831 284 L CB 1.733 43.736 42.059 -0.093 0.000 1.273 284 L HN 0.501 nan 8.230 nan 0.000 0.405 285 F N 4.979 124.937 119.950 0.013 0.000 2.382 285 F HA 0.452 4.979 4.527 0.000 0.000 0.361 285 F C 0.028 175.834 175.800 0.010 0.000 1.109 285 F CA -0.389 57.618 58.000 0.011 0.000 1.031 285 F CB 1.432 40.438 39.000 0.009 0.000 1.234 285 F HN 0.513 nan 8.300 nan 0.000 0.445 286 C N 4.271 123.661 119.300 0.151 0.000 2.341 286 C HA 0.246 4.706 4.460 0.000 0.000 0.338 286 C C 1.544 176.593 174.990 0.098 0.000 1.257 286 C CA -0.249 58.828 59.018 0.099 0.000 1.883 286 C CB 0.974 28.746 27.740 0.054 0.000 2.334 286 C HN 1.037 nan 8.230 nan 0.000 0.524 287 Q N 2.590 122.434 119.800 0.073 0.000 2.212 287 Q HA 0.051 4.391 4.340 0.000 0.000 0.199 287 Q C 0.931 176.956 176.000 0.043 0.000 0.950 287 Q CA 0.981 56.817 55.803 0.055 0.000 0.863 287 Q CB 0.215 28.977 28.738 0.040 0.000 0.944 287 Q HN 0.651 nan 8.270 nan 0.000 0.465 288 K N -0.192 120.232 120.400 0.039 0.000 2.760 288 K HA 0.355 4.676 4.320 0.000 0.000 0.285 288 K C 0.151 176.770 176.600 0.032 0.000 1.016 288 K CA -0.030 56.275 56.287 0.031 0.000 1.087 288 K CB -0.359 32.157 32.500 0.027 0.000 1.427 288 K HN 0.148 nan 8.250 nan 0.000 0.524 289 G N 0.311 109.127 108.800 0.027 0.000 2.448 289 G HA2 0.526 4.486 3.960 0.000 0.000 0.285 289 G HA3 0.526 4.486 3.960 0.000 0.000 0.285 289 G C -0.419 174.496 174.900 0.026 0.000 1.176 289 G CA -0.564 44.551 45.100 0.025 0.000 0.852 289 G HN 0.313 nan 8.290 nan 0.000 0.530 290 I N 1.168 121.753 120.570 0.024 0.000 2.389 290 I HA 0.168 4.338 4.170 0.000 0.000 0.288 290 I C -0.270 175.863 176.117 0.027 0.000 0.999 290 I CA -0.817 60.499 61.300 0.026 0.000 1.129 290 I CB 1.879 39.892 38.000 0.022 0.000 1.288 290 I HN 0.371 nan 8.210 nan 0.000 0.444 291 D N 4.418 124.839 120.400 0.034 0.000 2.423 291 D HA -0.075 4.565 4.640 0.000 0.000 0.238 291 D C 0.676 176.994 176.300 0.031 0.000 1.142 291 D CA 0.334 54.355 54.000 0.035 0.000 0.884 291 D CB 1.302 42.129 40.800 0.046 0.000 1.199 291 D HN 0.514 nan 8.370 nan 0.000 0.438 292 D N 2.136 122.547 120.400 0.018 0.000 2.117 292 D HA -0.113 4.528 4.640 0.000 0.000 0.197 292 D C 2.094 178.388 176.300 -0.010 0.000 0.987 292 D CA 0.730 54.731 54.000 0.002 0.000 0.829 292 D CB 0.083 40.877 40.800 -0.010 0.000 0.961 292 D HN 0.420 nan 8.370 nan 0.000 0.460 293 L N 0.251 121.471 121.223 -0.006 0.000 2.042 293 L HA -0.168 4.172 4.340 0.000 0.000 0.210 293 L C 2.483 179.347 176.870 -0.010 0.000 1.076 293 L CA 1.313 56.125 54.840 -0.048 0.000 0.749 293 L CB -0.352 41.740 42.059 0.055 0.000 0.893 293 L HN -0.016 nan 8.230 nan 0.000 0.432 294 A N -0.804 122.086 122.820 0.116 0.000 2.015 294 A HA -0.194 4.126 4.320 0.000 0.000 0.219 294 A C 2.191 179.833 177.584 0.097 0.000 1.163 294 A CA 1.115 53.261 52.037 0.182 0.000 0.646 294 A CB -0.321 18.761 19.000 0.137 0.000 0.806 294 A HN 0.486 nan 8.150 nan 0.000 0.448 295 Q N -1.291 118.535 119.800 0.043 0.000 2.119 295 Q HA -0.189 4.151 4.340 0.000 0.000 0.201 295 Q C 2.091 178.092 176.000 0.002 0.000 0.972 295 Q CA 1.410 57.223 55.803 0.018 0.000 0.847 295 Q CB -0.348 28.396 28.738 0.010 0.000 0.903 295 Q HN 0.914 nan 8.270 nan 0.000 0.433 296 H N -0.405 118.585 119.070 -0.134 0.000 2.389 296 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 296 H C 1.265 176.495 175.328 -0.163 0.000 1.081 296 H CA 1.355 57.282 56.048 -0.202 0.000 1.345 296 H CB 0.183 29.738 29.762 -0.345 0.000 1.393 296 H HN 0.285 nan 8.280 nan 0.000 0.520 297 Y N 0.626 120.879 120.300 -0.078 0.000 2.263 297 Y HA -0.074 4.476 4.550 -0.000 0.000 0.292 297 Y C 2.870 178.698 175.900 -0.121 0.000 1.130 297 Y CA 0.486 58.510 58.100 -0.126 0.000 1.179 297 Y CB -0.463 37.991 38.460 -0.009 0.000 0.998 297 Y HN 0.107 nan 8.280 nan 0.000 0.532 298 L N -0.817 120.442 121.223 0.060 0.000 2.046 298 L HA -0.218 4.122 4.340 0.000 0.000 0.208 298 L C 2.580 179.425 176.870 -0.041 0.000 1.077 298 L CA 1.264 56.109 54.840 0.008 0.000 0.747 298 L CB -0.681 41.380 42.059 0.003 0.000 0.896 298 L HN 0.211 nan 8.230 nan 0.000 0.432 299 A N -0.585 122.187 122.820 -0.080 0.000 2.014 299 A HA -0.207 4.114 4.320 0.000 0.000 0.218 299 A C 2.359 179.877 177.584 -0.110 0.000 1.163 299 A CA 1.459 53.442 52.037 -0.090 0.000 0.652 299 A CB -0.333 18.614 19.000 -0.088 0.000 0.808 299 A HN 0.304 nan 8.150 nan 0.000 0.449 300 K N -0.330 119.969 120.400 -0.168 0.000 2.155 300 K HA -0.089 4.231 4.320 0.000 0.000 0.203 300 K C 1.328 177.890 176.600 -0.062 0.000 1.052 300 K CA 1.164 57.364 56.287 -0.145 0.000 0.948 300 K CB 0.010 32.383 32.500 -0.211 0.000 0.728 300 K HN 0.400 nan 8.250 nan 0.000 0.448 301 E N -0.753 119.422 120.200 -0.042 0.000 2.371 301 E HA -0.011 4.339 4.350 0.000 0.000 0.194 301 E C 0.979 177.564 176.600 -0.025 0.000 1.012 301 E CA 0.898 57.285 56.400 -0.023 0.000 0.860 301 E CB 0.606 30.299 29.700 -0.011 0.000 0.811 301 E HN 0.565 nan 8.360 nan 0.000 0.502 302 G N 1.733 110.513 108.800 -0.033 0.000 2.141 302 G HA2 -0.249 3.711 3.960 0.000 0.000 0.231 302 G HA3 -0.249 3.711 3.960 0.000 0.000 0.231 302 G C 0.238 175.119 174.900 -0.031 0.000 0.984 302 G CA -0.024 45.058 45.100 -0.030 0.000 0.660 302 G HN 0.215 nan 8.290 nan 0.000 0.525 303 I N 1.727 122.276 120.570 -0.035 0.000 2.301 303 I HA 0.309 4.479 4.170 0.000 0.000 0.292 303 I C 0.778 176.858 176.117 -0.061 0.000 1.046 303 I CA -0.921 60.354 61.300 -0.042 0.000 1.282 303 I CB 1.482 39.462 38.000 -0.033 0.000 1.409 303 I HN -0.119 nan 8.210 nan 0.000 0.484 304 V N 6.656 126.523 119.914 -0.078 0.000 2.439 304 V HA 0.429 4.550 4.120 0.000 0.000 0.271 304 V C 0.651 176.633 176.094 -0.186 0.000 1.040 304 V CA -0.133 62.100 62.300 -0.111 0.000 1.002 304 V CB 0.457 32.216 31.823 -0.108 0.000 1.000 304 V HN 0.846 nan 8.190 nan 0.000 0.477 305 A N 4.547 127.263 122.820 -0.173 0.000 2.413 305 A HA 0.993 5.313 4.320 0.000 0.000 0.307 305 A C -0.320 177.145 177.584 -0.199 0.000 1.087 305 A CA -0.364 51.547 52.037 -0.209 0.000 0.750 305 A CB 1.962 20.896 19.000 -0.111 0.000 1.296 305 A HN 1.340 nan 8.150 nan 0.000 0.423 306 A N 1.537 124.227 122.820 -0.218 0.000 2.381 306 A HA 0.719 5.039 4.320 0.000 0.000 0.299 306 A C -0.181 177.411 177.584 0.013 0.000 1.049 306 A CA -0.735 51.252 52.037 -0.084 0.000 0.715 306 A CB 0.892 19.859 19.000 -0.055 0.000 1.222 306 A HN 1.137 nan 8.150 nan 0.000 0.428 307 R N 1.694 122.211 120.500 0.028 0.000 2.573 307 R HA 0.753 5.093 4.340 0.000 0.000 0.272 307 R C -0.442 175.890 176.300 0.054 0.000 1.009 307 R CA -0.802 55.322 56.100 0.040 0.000 1.059 307 R CB 0.628 30.942 30.300 0.025 0.000 1.112 307 R HN 0.659 nan 8.270 nan 0.000 0.517 308 R N 0.111 120.641 120.500 0.050 0.000 3.127 308 R HA -0.133 4.207 4.340 0.000 0.000 0.247 308 R C -0.765 175.568 176.300 0.055 0.000 0.896 308 R CA 0.504 56.631 56.100 0.045 0.000 0.624 308 R CB -1.644 28.676 30.300 0.032 0.000 1.154 308 R HN 0.428 nan 8.270 nan 0.000 0.474 309 V N 2.250 122.210 119.914 0.075 0.000 2.546 309 V HA 0.104 4.224 4.120 0.000 0.000 0.284 309 V C 1.156 177.270 176.094 0.034 0.000 1.050 309 V CA -0.470 61.876 62.300 0.075 0.000 0.981 309 V CB 1.477 33.378 31.823 0.129 0.000 0.990 309 V HN 0.158 nan 8.190 nan 0.000 0.474 310 K N 3.321 123.729 120.400 0.013 0.000 2.527 310 K HA -0.031 4.289 4.320 0.000 0.000 0.278 310 K C 1.272 177.866 176.600 -0.009 0.000 0.981 310 K CA 0.240 56.526 56.287 -0.002 0.000 1.009 310 K CB 0.457 32.949 32.500 -0.013 0.000 0.895 310 K HN 0.617 nan 8.250 nan 0.000 0.493 311 K N 1.658 122.054 120.400 -0.006 0.000 2.152 311 K HA -0.181 4.139 4.320 0.000 0.000 0.206 311 K C 1.650 178.237 176.600 -0.021 0.000 1.048 311 K CA 1.916 58.198 56.287 -0.009 0.000 0.933 311 K CB 0.121 32.618 32.500 -0.004 0.000 0.721 311 K HN 0.628 nan 8.250 nan 0.000 0.447 312 S N 0.091 115.775 115.700 -0.026 0.000 2.414 312 S HA -0.073 4.397 4.470 0.000 0.000 0.227 312 S C 1.426 175.994 174.600 -0.053 0.000 1.022 312 S CA 0.902 59.081 58.200 -0.035 0.000 0.958 312 S CB -0.047 63.134 63.200 -0.032 0.000 0.797 312 S HN 0.258 nan 8.310 nan 0.000 0.493 313 D N 1.297 121.659 120.400 -0.063 0.000 2.224 313 D HA 0.086 4.726 4.640 0.000 0.000 0.205 313 D C 1.907 178.130 176.300 -0.127 0.000 0.965 313 D CA 0.766 54.705 54.000 -0.102 0.000 0.852 313 D CB -0.163 40.573 40.800 -0.108 0.000 0.947 313 D HN 0.323 nan 8.370 nan 0.000 0.494 314 M N 0.396 119.945 119.600 -0.085 0.000 2.175 314 M HA -0.080 4.400 4.480 0.000 0.000 0.264 314 M C 1.839 178.099 176.300 -0.067 0.000 1.063 314 M CA 1.141 56.397 55.300 -0.075 0.000 1.119 314 M CB -0.695 31.890 32.600 -0.025 0.000 1.377 314 M HN 0.064 nan 8.290 nan 0.000 0.415 315 E N -0.090 120.078 120.200 -0.053 0.000 2.208 315 E HA -0.126 4.224 4.350 0.000 0.000 0.193 315 E C 2.101 178.668 176.600 -0.056 0.000 0.988 315 E CA 0.601 56.975 56.400 -0.043 0.000 0.828 315 E CB 0.115 29.795 29.700 -0.033 0.000 0.763 315 E HN 0.361 nan 8.360 nan 0.000 0.478 316 K N 0.722 121.076 120.400 -0.076 0.000 2.001 316 K HA -0.092 4.228 4.320 0.000 0.000 0.208 316 K C 2.256 178.795 176.600 -0.102 0.000 1.048 316 K CA 0.800 57.034 56.287 -0.088 0.000 0.932 316 K CB -0.372 32.064 32.500 -0.106 0.000 0.715 316 K HN 0.177 nan 8.250 nan 0.000 0.437 317 L N 0.767 121.905 121.223 -0.142 0.000 2.083 317 L HA -0.166 4.174 4.340 0.000 0.000 0.209 317 L C 2.566 179.386 176.870 -0.083 0.000 1.083 317 L CA 1.176 55.920 54.840 -0.160 0.000 0.752 317 L CB -0.538 41.354 42.059 -0.278 0.000 0.899 317 L HN 0.137 nan 8.230 nan 0.000 0.433 318 A N -0.124 122.660 122.820 -0.061 0.000 1.933 318 A HA -0.190 4.130 4.320 0.000 0.000 0.218 318 A C 2.285 179.858 177.584 -0.019 0.000 1.175 318 A CA 1.537 53.558 52.037 -0.027 0.000 0.628 318 A CB -0.241 18.748 19.000 -0.019 0.000 0.814 318 A HN 0.341 nan 8.150 nan 0.000 0.444 319 K N -0.776 119.606 120.400 -0.029 0.000 2.314 319 K HA 0.221 4.541 4.320 0.000 0.000 0.198 319 K C 2.089 178.675 176.600 -0.024 0.000 1.045 319 K CA 0.678 56.952 56.287 -0.022 0.000 0.988 319 K CB -0.018 32.465 32.500 -0.028 0.000 0.783 319 K HN 0.419 nan 8.250 nan 0.000 0.484 320 A N 1.262 124.060 122.820 -0.036 0.000 1.887 320 A HA -0.083 4.237 4.320 0.000 0.000 0.212 320 A C 2.239 179.815 177.584 -0.014 0.000 1.198 320 A CA 1.638 53.653 52.037 -0.037 0.000 0.628 320 A CB -0.609 18.358 19.000 -0.055 0.000 0.847 320 A HN 0.339 nan 8.150 nan 0.000 0.449 321 T N -4.376 110.174 114.554 -0.007 0.000 3.035 321 T HA 0.396 4.746 4.350 0.000 0.000 0.259 321 T C 1.264 175.983 174.700 0.031 0.000 1.078 321 T CA 1.184 63.295 62.100 0.017 0.000 1.132 321 T CB 0.022 68.904 68.868 0.023 0.000 0.900 321 T HN 1.767 nan 8.240 nan 0.000 0.480 322 G N 1.101 109.917 108.800 0.026 0.000 2.288 322 G HA2 0.260 4.220 3.960 0.000 0.000 0.205 322 G HA3 0.260 4.220 3.960 0.000 0.000 0.205 322 G C 0.010 174.927 174.900 0.029 0.000 1.071 322 G CA -0.214 44.906 45.100 0.033 0.000 0.788 322 G HN 1.009 nan 8.290 nan 0.000 0.491 323 A N -0.290 122.544 122.820 0.024 0.000 2.352 323 A HA 0.928 5.248 4.320 0.000 0.000 0.299 323 A C 0.031 177.627 177.584 0.021 0.000 1.160 323 A CA -0.797 51.256 52.037 0.027 0.000 0.933 323 A CB 1.043 20.066 19.000 0.037 0.000 1.387 323 A HN 0.361 nan 8.150 nan 0.000 0.487 324 N N -0.575 118.139 118.700 0.024 0.000 2.249 324 N HA 0.409 5.150 4.740 0.000 0.000 0.296 324 N C -1.418 174.105 175.510 0.023 0.000 1.051 324 N CA -0.359 52.702 53.050 0.019 0.000 0.815 324 N CB 2.006 40.503 38.487 0.017 0.000 1.487 324 N HN 0.267 nan 8.380 nan 0.000 0.475 325 V N 3.287 123.212 119.914 0.018 0.000 2.387 325 V HA 0.234 4.354 4.120 0.000 0.000 0.260 325 V C 0.364 176.470 176.094 0.020 0.000 1.054 325 V CA -0.270 62.043 62.300 0.021 0.000 0.967 325 V CB -0.262 31.570 31.823 0.014 0.000 1.036 325 V HN 0.432 nan 8.190 nan 0.000 0.481 326 I N 4.812 125.397 120.570 0.025 0.000 2.336 326 I HA 0.281 4.451 4.170 0.000 0.000 0.292 326 I C 1.192 177.322 176.117 0.022 0.000 0.991 326 I CA 0.018 61.331 61.300 0.021 0.000 1.227 326 I CB 1.404 39.418 38.000 0.022 0.000 1.366 326 I HN 0.530 nan 8.210 nan 0.000 0.466 327 T N 3.315 117.880 114.554 0.018 0.000 3.086 327 T HA 0.051 4.401 4.350 0.000 0.000 0.250 327 T C 0.679 175.389 174.700 0.016 0.000 1.074 327 T CA 0.186 62.296 62.100 0.017 0.000 0.988 327 T CB -0.360 68.516 68.868 0.014 0.000 0.988 327 T HN 0.450 nan 8.240 nan 0.000 0.530 328 N N 0.745 119.454 118.700 0.015 0.000 2.504 328 N HA 0.362 5.102 4.740 0.000 0.000 0.280 328 N C 0.306 175.824 175.510 0.014 0.000 1.052 328 N CA -0.537 52.522 53.050 0.014 0.000 0.887 328 N CB 0.995 39.488 38.487 0.011 0.000 1.323 328 N HN 0.026 nan 8.380 nan 0.000 0.509 329 I N 2.550 123.128 120.570 0.014 0.000 2.614 329 I HA -0.109 4.061 4.170 0.000 0.000 0.258 329 I C 1.360 177.482 176.117 0.009 0.000 1.189 329 I CA 0.924 62.232 61.300 0.013 0.000 1.462 329 I CB 0.281 38.289 38.000 0.015 0.000 1.092 329 I HN 0.426 nan 8.210 nan 0.000 0.442 330 K N -0.145 120.260 120.400 0.008 0.000 2.217 330 K HA -0.116 4.204 4.320 0.000 0.000 0.202 330 K C 1.104 177.707 176.600 0.005 0.000 1.051 330 K CA 0.856 57.146 56.287 0.005 0.000 0.952 330 K CB -0.217 32.286 32.500 0.005 0.000 0.736 330 K HN 0.384 nan 8.250 nan 0.000 0.453 331 D N 0.833 121.238 120.400 0.007 0.000 2.388 331 D HA -0.004 4.636 4.640 0.000 0.000 0.221 331 D C -0.461 175.844 176.300 0.009 0.000 1.133 331 D CA -0.204 53.800 54.000 0.007 0.000 0.831 331 D CB 0.259 41.063 40.800 0.008 0.000 0.962 331 D HN -0.054 nan 8.370 nan 0.000 0.502 332 L N 1.658 122.887 121.223 0.010 0.000 2.536 332 L HA 0.083 4.423 4.340 0.000 0.000 0.282 332 L C 0.248 177.124 176.870 0.010 0.000 1.147 332 L CA 0.254 55.101 54.840 0.012 0.000 0.936 332 L CB 0.425 42.492 42.059 0.013 0.000 1.279 332 L HN -0.239 nan 8.230 nan 0.000 0.461 333 S N 3.083 118.789 115.700 0.010 0.000 2.624 333 S HA 0.540 5.011 4.470 0.000 0.000 0.263 333 S C 1.377 175.983 174.600 0.010 0.000 1.287 333 S CA -0.038 58.167 58.200 0.009 0.000 0.990 333 S CB 1.381 64.586 63.200 0.008 0.000 0.950 333 S HN 0.795 nan 8.310 nan 0.000 0.561 334 A N 1.527 124.352 122.820 0.008 0.000 2.119 334 A HA 0.087 4.407 4.320 0.000 0.000 0.216 334 A C 1.709 179.300 177.584 0.011 0.000 1.152 334 A CA 0.778 52.820 52.037 0.009 0.000 0.708 334 A CB -0.407 18.597 19.000 0.007 0.000 0.805 334 A HN 0.791 nan 8.150 nan 0.000 0.460 335 Q N 0.059 119.865 119.800 0.011 0.000 2.360 335 Q HA 0.049 4.389 4.340 0.000 0.000 0.202 335 Q C 0.073 176.082 176.000 0.014 0.000 0.915 335 Q CA 0.570 56.380 55.803 0.011 0.000 0.943 335 Q CB 0.320 29.063 28.738 0.008 0.000 1.064 335 Q HN 0.470 nan 8.270 nan 0.000 0.511 336 D N -0.282 120.128 120.400 0.016 0.000 2.325 336 D HA 0.091 4.731 4.640 0.000 0.000 0.225 336 D C -0.292 176.023 176.300 0.026 0.000 1.096 336 D CA 0.189 54.201 54.000 0.020 0.000 0.844 336 D CB 0.319 41.130 40.800 0.019 0.000 0.925 336 D HN 0.231 nan 8.370 nan 0.000 0.513 337 L N 0.264 121.503 121.223 0.027 0.000 2.325 337 L HA 0.529 4.869 4.340 0.000 0.000 0.279 337 L C 1.241 178.133 176.870 0.037 0.000 1.054 337 L CA -0.893 53.968 54.840 0.035 0.000 0.804 337 L CB 1.593 43.671 42.059 0.032 0.000 1.200 337 L HN -0.126 nan 8.230 nan 0.000 0.436 338 G N 0.280 109.108 108.800 0.047 0.000 2.522 338 G HA2 0.408 4.368 3.960 0.000 0.000 0.304 338 G HA3 0.408 4.368 3.960 0.000 0.000 0.304 338 G C -1.577 173.352 174.900 0.048 0.000 1.210 338 G CA -0.125 45.002 45.100 0.045 0.000 0.960 338 G HN 0.619 nan 8.290 nan 0.000 0.497 339 D N -1.096 119.331 120.400 0.046 0.000 2.686 339 D HA 0.585 5.225 4.640 0.000 0.000 0.249 339 D C -0.439 175.889 176.300 0.048 0.000 1.260 339 D CA -0.106 53.921 54.000 0.045 0.000 0.910 339 D CB 1.601 42.424 40.800 0.038 0.000 1.323 339 D HN 0.573 nan 8.370 nan 0.000 0.561 340 A N 1.930 124.782 122.820 0.053 0.000 2.414 340 A HA 0.647 4.967 4.320 0.000 0.000 0.306 340 A C 1.083 178.698 177.584 0.052 0.000 1.054 340 A CA -0.347 51.722 52.037 0.054 0.000 0.724 340 A CB 1.674 20.714 19.000 0.066 0.000 1.267 340 A HN 0.584 nan 8.150 nan 0.000 0.418 341 G N 0.180 109.008 108.800 0.047 0.000 2.484 341 G HA2 0.328 4.288 3.960 0.000 0.000 0.218 341 G HA3 0.328 4.288 3.960 0.000 0.000 0.218 341 G C 0.253 175.179 174.900 0.043 0.000 1.130 341 G CA 0.801 45.925 45.100 0.041 0.000 0.784 341 G HN 0.666 nan 8.290 nan 0.000 0.543 342 L N 0.296 121.553 121.223 0.057 0.000 2.543 342 L HA 0.475 4.815 4.340 0.000 0.000 0.265 342 L C -1.621 175.304 176.870 0.091 0.000 0.945 342 L CA -0.686 54.191 54.840 0.061 0.000 0.869 342 L CB 2.703 44.794 42.059 0.054 0.000 1.294 342 L HN -0.176 nan 8.230 nan 0.000 0.405 343 V N 3.601 123.570 119.914 0.091 0.000 2.443 343 V HA 0.547 4.667 4.120 0.000 0.000 0.293 343 V C -0.586 175.568 176.094 0.100 0.000 1.021 343 V CA -0.471 61.905 62.300 0.127 0.000 0.848 343 V CB 1.724 33.626 31.823 0.132 0.000 0.998 343 V HN 0.740 nan 8.190 nan 0.000 0.424 344 E N 3.099 123.376 120.200 0.128 0.000 2.331 344 E HA 0.423 4.773 4.350 0.000 0.000 0.275 344 E C -1.134 175.530 176.600 0.108 0.000 0.895 344 E CA -0.681 55.763 56.400 0.073 0.000 0.753 344 E CB 2.381 32.085 29.700 0.006 0.000 1.216 344 E HN 0.753 nan 8.360 nan 0.000 0.434 345 E N 4.447 124.685 120.200 0.064 0.000 2.046 345 E HA 0.234 4.584 4.350 0.000 0.000 0.279 345 E C -0.741 175.872 176.600 0.021 0.000 0.989 345 E CA -0.326 56.124 56.400 0.084 0.000 0.798 345 E CB 0.624 30.362 29.700 0.064 0.000 1.086 345 E HN 0.342 nan 8.360 nan 0.000 0.399 346 R N 3.100 123.603 120.500 0.004 0.000 2.674 346 R HA 0.398 4.738 4.340 0.000 0.000 0.266 346 R C -0.236 176.069 176.300 0.007 0.000 1.016 346 R CA -0.832 55.201 56.100 -0.113 0.000 1.062 346 R CB 1.251 31.266 30.300 -0.474 0.000 1.142 346 R HN 0.282 nan 8.270 nan 0.000 0.517 347 K N 1.817 122.206 120.400 -0.017 0.000 2.423 347 K HA 0.255 4.575 4.320 0.000 0.000 0.234 347 K C -0.944 175.673 176.600 0.029 0.000 1.051 347 K CA -0.434 55.868 56.287 0.026 0.000 1.021 347 K CB 0.661 33.168 32.500 0.011 0.000 1.474 347 K HN 0.253 nan 8.250 nan 0.000 0.474 348 I N 1.627 122.252 120.570 0.093 0.000 2.315 348 I HA 0.013 4.184 4.170 0.000 0.000 0.291 348 I C 0.439 176.608 176.117 0.087 0.000 1.006 348 I CA 0.647 62.010 61.300 0.105 0.000 1.265 348 I CB 1.356 39.499 38.000 0.237 0.000 1.387 348 I HN 0.641 nan 8.210 nan 0.000 0.475 349 S N 5.098 120.830 115.700 0.054 0.000 3.711 349 S HA -0.152 4.318 4.470 0.000 0.000 0.374 349 S C 1.120 175.739 174.600 0.032 0.000 0.969 349 S CA 1.414 59.637 58.200 0.038 0.000 1.198 349 S CB -1.562 61.661 63.200 0.038 0.000 0.903 349 S HN 2.077 nan 8.310 nan 0.000 0.493 350 G N 0.785 109.602 108.800 0.028 0.000 3.444 350 G HA2 -0.303 3.657 3.960 0.000 0.000 0.222 350 G HA3 -0.303 3.657 3.960 0.000 0.000 0.222 350 G C -0.205 174.713 174.900 0.030 0.000 1.358 350 G CA 0.385 45.499 45.100 0.023 0.000 0.880 350 G HN 0.764 nan 8.290 nan 0.000 0.555 351 D N 1.816 122.238 120.400 0.037 0.000 2.372 351 D HA 0.495 5.135 4.640 0.000 0.000 0.243 351 D C 0.738 177.077 176.300 0.065 0.000 1.121 351 D CA 0.837 54.863 54.000 0.043 0.000 0.898 351 D CB 1.408 42.231 40.800 0.039 0.000 1.202 351 D HN 0.688 nan 8.370 nan 0.000 0.428 352 S N 1.345 117.083 115.700 0.063 0.000 2.442 352 S HA 0.687 5.157 4.470 0.000 0.000 0.297 352 S C -0.068 174.597 174.600 0.108 0.000 1.131 352 S CA -0.837 57.414 58.200 0.084 0.000 1.092 352 S CB 1.232 64.466 63.200 0.058 0.000 0.998 352 S HN 0.376 nan 8.310 nan 0.000 0.478 353 M N 2.392 122.097 119.600 0.175 0.000 2.691 353 M HA 0.520 5.000 4.480 0.000 0.000 0.293 353 M C -1.073 175.388 176.300 0.269 0.000 1.259 353 M CA -0.749 54.658 55.300 0.178 0.000 0.827 353 M CB 2.176 34.847 32.600 0.119 0.000 1.753 353 M HN 0.575 nan 8.290 nan 0.000 0.465 354 I N 1.852 122.551 120.570 0.215 0.000 2.297 354 I HA 0.233 4.403 4.170 0.000 0.000 0.291 354 I C -1.199 175.078 176.117 0.265 0.000 1.033 354 I CA -0.261 61.203 61.300 0.273 0.000 1.253 354 I CB 0.354 38.532 38.000 0.296 0.000 1.396 354 I HN 0.382 nan 8.210 nan 0.000 0.476 355 F N 6.312 126.304 119.950 0.070 0.000 2.390 355 F HA 0.225 4.752 4.527 0.000 0.000 0.361 355 F C 0.359 176.198 175.800 0.064 0.000 1.124 355 F CA -0.491 57.538 58.000 0.049 0.000 1.149 355 F CB 0.973 39.993 39.000 0.032 0.000 1.160 355 F HN 0.071 nan 8.300 nan 0.000 0.501 356 V N 5.209 125.210 119.914 0.146 0.000 2.270 356 V HA 0.245 4.365 4.120 0.000 0.000 0.263 356 V C -0.016 176.124 176.094 0.077 0.000 1.066 356 V CA -0.410 61.960 62.300 0.117 0.000 0.857 356 V CB -0.238 31.618 31.823 0.054 0.000 1.099 356 V HN 0.783 nan 8.190 nan 0.000 0.476 357 E N 2.412 122.677 120.200 0.109 0.000 2.428 357 E HA 0.623 4.973 4.350 0.000 0.000 0.259 357 E C -0.557 176.082 176.600 0.065 0.000 0.930 357 E CA -1.061 55.391 56.400 0.086 0.000 0.823 357 E CB 1.261 31.041 29.700 0.134 0.000 1.403 357 E HN 0.310 nan 8.360 nan 0.000 0.415 358 E N -0.689 119.542 120.200 0.052 0.000 2.320 358 E HA -0.188 4.162 4.350 0.000 0.000 0.234 358 E C -0.793 175.829 176.600 0.036 0.000 1.183 358 E CA 0.235 56.659 56.400 0.040 0.000 0.713 358 E CB -1.904 27.821 29.700 0.041 0.000 1.226 358 E HN 0.435 nan 8.360 nan 0.000 0.382 359 C N 0.624 119.942 119.300 0.030 0.000 2.520 359 C HA 0.178 4.638 4.460 0.000 0.000 0.376 359 C C 1.989 177.001 174.990 0.036 0.000 1.268 359 C CA -0.814 58.222 59.018 0.031 0.000 2.414 359 C CB 1.076 28.828 27.740 0.019 0.000 2.521 359 C HN 0.381 nan 8.230 nan 0.000 0.618 360 K N 0.597 121.028 120.400 0.053 0.000 1.995 360 K HA -0.020 4.300 4.320 0.000 0.000 0.207 360 K C 0.532 177.202 176.600 0.117 0.000 1.041 360 K CA 1.500 57.832 56.287 0.075 0.000 0.942 360 K CB -0.349 32.196 32.500 0.074 0.000 0.731 360 K HN 0.734 nan 8.250 nan 0.000 0.439 361 H N 1.406 120.479 119.070 0.005 0.000 2.541 361 H HA 0.274 4.830 4.556 0.000 0.000 0.246 361 H C -2.640 172.688 175.328 -0.001 0.000 1.341 361 H CA -2.202 53.847 56.048 0.002 0.000 1.469 361 H CB 0.473 30.236 29.762 0.002 0.000 1.472 361 H HN -0.053 nan 8.280 nan 0.000 0.503 362 P HA 0.205 nan 4.420 nan 0.000 0.285 362 P C 0.239 177.435 177.300 -0.173 0.000 1.259 362 P CA -0.647 62.382 63.100 -0.119 0.000 0.794 362 P CB 1.419 33.066 31.700 -0.087 0.000 0.940 363 K N 0.613 120.952 120.400 -0.102 0.000 2.358 363 K HA 0.403 4.723 4.320 0.000 0.000 0.200 363 K C 0.363 176.925 176.600 -0.065 0.000 1.030 363 K CA 0.027 56.263 56.287 -0.086 0.000 1.097 363 K CB 0.743 33.216 32.500 -0.045 0.000 0.862 363 K HN 0.515 nan 8.250 nan 0.000 0.534 364 A N 0.632 123.414 122.820 -0.064 0.000 2.401 364 A HA 0.718 5.038 4.320 0.000 0.000 0.310 364 A C -1.006 176.541 177.584 -0.062 0.000 1.075 364 A CA -0.567 51.435 52.037 -0.059 0.000 0.746 364 A CB 1.868 20.833 19.000 -0.059 0.000 1.277 364 A HN -0.091 nan 8.150 nan 0.000 0.425 365 V N 0.942 120.822 119.914 -0.058 0.000 2.888 365 V HA 0.573 4.693 4.120 0.000 0.000 0.309 365 V C -0.379 175.682 176.094 -0.055 0.000 1.114 365 V CA -0.413 61.855 62.300 -0.054 0.000 0.940 365 V CB 2.679 34.473 31.823 -0.048 0.000 1.021 365 V HN 0.993 nan 8.190 nan 0.000 0.426 366 T N 5.858 120.377 114.554 -0.058 0.000 2.794 366 T HA 0.516 4.867 4.350 0.000 0.000 0.280 366 T C -0.309 174.362 174.700 -0.048 0.000 0.987 366 T CA -0.454 61.606 62.100 -0.066 0.000 0.993 366 T CB 0.976 69.785 68.868 -0.098 0.000 0.939 366 T HN 0.338 nan 8.240 nan 0.000 0.449 367 M N 3.810 123.385 119.600 -0.043 0.000 2.061 367 M HA 0.322 4.802 4.480 0.000 0.000 0.346 367 M C -0.705 175.577 176.300 -0.030 0.000 1.112 367 M CA -0.989 54.294 55.300 -0.028 0.000 1.021 367 M CB 0.771 33.357 32.600 -0.023 0.000 1.530 367 M HN 0.431 nan 8.290 nan 0.000 0.437 368 L N 6.470 127.681 121.223 -0.020 0.000 2.334 368 L HA 0.419 4.759 4.340 0.000 0.000 0.286 368 L C -0.628 176.243 176.870 0.001 0.000 1.108 368 L CA 0.273 55.105 54.840 -0.014 0.000 0.875 368 L CB -0.152 41.911 42.059 0.008 0.000 1.246 368 L HN 0.524 nan 8.230 nan 0.000 0.439 369 I N 5.747 126.313 120.570 -0.006 0.000 2.337 369 I HA 0.320 4.490 4.170 0.000 0.000 0.291 369 I C 0.256 176.375 176.117 0.004 0.000 1.046 369 I CA -0.170 61.130 61.300 -0.001 0.000 1.324 369 I CB 0.236 38.233 38.000 -0.005 0.000 1.409 369 I HN 0.546 nan 8.210 nan 0.000 0.494 370 R N 4.525 125.032 120.500 0.010 0.000 2.803 370 R HA 0.880 5.220 4.340 0.000 0.000 0.276 370 R C -0.242 176.065 176.300 0.012 0.000 0.978 370 R CA -0.974 55.134 56.100 0.014 0.000 0.939 370 R CB 2.371 32.685 30.300 0.023 0.000 1.179 370 R HN 0.776 nan 8.270 nan 0.000 0.472 371 G N -0.753 108.053 108.800 0.011 0.000 2.506 371 G HA2 0.187 4.147 3.960 0.000 0.000 0.292 371 G HA3 0.187 4.147 3.960 0.000 0.000 0.292 371 G C 0.395 175.302 174.900 0.012 0.000 1.425 371 G CA -0.279 44.828 45.100 0.012 0.000 0.788 371 G HN 0.491 nan 8.290 nan 0.000 0.490 372 T N -2.541 112.022 114.554 0.015 0.000 2.812 372 T HA 0.184 4.534 4.350 0.000 0.000 0.264 372 T C 1.364 176.074 174.700 0.016 0.000 1.042 372 T CA 2.031 64.140 62.100 0.015 0.000 1.140 372 T CB -0.403 68.475 68.868 0.017 0.000 0.870 372 T HN 1.360 nan 8.240 nan 0.000 0.445 373 T N -1.350 113.217 114.554 0.022 0.000 2.924 373 T HA 0.574 4.924 4.350 0.000 0.000 0.291 373 T C 0.596 175.299 174.700 0.005 0.000 1.045 373 T CA -0.685 61.430 62.100 0.025 0.000 1.015 373 T CB 2.468 71.369 68.868 0.055 0.000 1.103 373 T HN -0.027 nan 8.240 nan 0.000 0.496 374 E N 0.039 120.215 120.200 -0.040 0.000 2.150 374 E HA -0.094 4.256 4.350 0.000 0.000 0.193 374 E C 1.516 178.025 176.600 -0.152 0.000 0.985 374 E CA 1.583 57.910 56.400 -0.121 0.000 0.814 374 E CB -0.416 29.166 29.700 -0.196 0.000 0.752 374 E HN 0.867 nan 8.360 nan 0.000 0.466 375 H N -1.580 117.493 119.070 0.004 0.000 2.462 375 H HA 0.029 4.585 4.556 0.000 0.000 0.292 375 H C 1.883 177.214 175.328 0.004 0.000 1.049 375 H CA 1.059 57.110 56.048 0.004 0.000 1.334 375 H CB 0.352 30.116 29.762 0.004 0.000 1.404 375 H HN 0.014 nan 8.280 nan 0.000 0.544 376 V N 0.495 120.472 119.914 0.104 0.000 2.323 376 V HA -0.205 3.915 4.120 0.000 0.000 0.244 376 V C 2.229 178.344 176.094 0.036 0.000 1.041 376 V CA 1.560 63.897 62.300 0.061 0.000 1.025 376 V CB -0.352 31.498 31.823 0.044 0.000 0.656 376 V HN 0.395 nan 8.190 nan 0.000 0.451 377 I N -0.045 120.536 120.570 0.019 0.000 2.163 377 I HA -0.295 3.876 4.170 0.000 0.000 0.243 377 I C 2.611 178.731 176.117 0.004 0.000 1.085 377 I CA 1.997 63.299 61.300 0.004 0.000 1.347 377 I CB -0.346 37.647 38.000 -0.012 0.000 1.044 377 I HN 0.391 nan 8.210 nan 0.000 0.408 378 E N 0.446 120.647 120.200 0.002 0.000 2.204 378 E HA -0.283 4.067 4.350 0.000 0.000 0.195 378 E C 1.940 178.553 176.600 0.023 0.000 0.990 378 E CA 1.175 57.578 56.400 0.005 0.000 0.821 378 E CB 0.169 29.869 29.700 -0.001 0.000 0.750 378 E HN 0.357 nan 8.360 nan 0.000 0.477 379 E N -0.330 119.891 120.200 0.035 0.000 2.122 379 E HA -0.076 4.274 4.350 0.000 0.000 0.190 379 E C 1.865 178.478 176.600 0.021 0.000 0.977 379 E CA 0.647 57.067 56.400 0.032 0.000 0.820 379 E CB 0.076 29.799 29.700 0.039 0.000 0.770 379 E HN 0.058 nan 8.360 nan 0.000 0.462 380 V N 0.949 120.874 119.914 0.019 0.000 2.515 380 V HA -0.201 3.919 4.120 0.000 0.000 0.250 380 V C 2.327 178.426 176.094 0.008 0.000 1.058 380 V CA 1.613 63.922 62.300 0.013 0.000 1.064 380 V CB -0.798 31.032 31.823 0.012 0.000 0.675 380 V HN 0.445 nan 8.190 nan 0.000 0.461 381 A N -0.063 122.761 122.820 0.006 0.000 1.933 381 A HA -0.207 4.113 4.320 0.000 0.000 0.218 381 A C 2.381 179.966 177.584 0.002 0.000 1.175 381 A CA 1.609 53.646 52.037 0.001 0.000 0.628 381 A CB -0.457 18.541 19.000 -0.003 0.000 0.814 381 A HN 0.485 nan 8.150 nan 0.000 0.444 382 R N -0.772 119.733 120.500 0.007 0.000 2.189 382 R HA 0.023 4.363 4.340 0.000 0.000 0.218 382 R C 2.229 178.533 176.300 0.007 0.000 1.074 382 R CA 0.882 56.986 56.100 0.008 0.000 0.991 382 R CB -0.268 30.039 30.300 0.012 0.000 0.883 382 R HN 0.517 nan 8.270 nan 0.000 0.457 383 A N 0.226 123.051 122.820 0.009 0.000 2.016 383 A HA -0.017 4.303 4.320 0.000 0.000 0.217 383 A C 2.080 179.667 177.584 0.006 0.000 1.162 383 A CA 0.712 52.755 52.037 0.009 0.000 0.662 383 A CB 0.114 19.121 19.000 0.012 0.000 0.812 383 A HN 0.089 nan 8.150 nan 0.000 0.450 384 V N -0.022 119.894 119.914 0.003 0.000 2.649 384 V HA -0.118 4.002 4.120 0.000 0.000 0.248 384 V C 1.882 177.974 176.094 -0.002 0.000 1.054 384 V CA 1.657 63.957 62.300 -0.000 0.000 1.073 384 V CB -0.449 31.372 31.823 -0.003 0.000 0.699 384 V HN 0.459 nan 8.190 nan 0.000 0.463 385 D N 0.401 120.800 120.400 -0.002 0.000 2.178 385 D HA -0.155 4.486 4.640 0.000 0.000 0.201 385 D C 1.694 177.993 176.300 -0.002 0.000 0.980 385 D CA 1.386 55.384 54.000 -0.003 0.000 0.842 385 D CB 0.020 40.818 40.800 -0.003 0.000 0.948 385 D HN 0.438 nan 8.370 nan 0.000 0.472 386 D N 0.274 120.675 120.400 0.001 0.000 2.137 386 D HA -0.013 4.627 4.640 0.000 0.000 0.202 386 D C 2.020 178.322 176.300 0.002 0.000 0.970 386 D CA 1.020 55.022 54.000 0.002 0.000 0.837 386 D CB -0.240 40.563 40.800 0.005 0.000 0.981 386 D HN 0.080 nan 8.370 nan 0.000 0.475 387 A N 0.347 123.168 122.820 0.002 0.000 1.933 387 A HA -0.110 4.210 4.320 0.000 0.000 0.218 387 A C 2.340 179.924 177.584 -0.001 0.000 1.175 387 A CA 0.998 53.036 52.037 0.002 0.000 0.628 387 A CB -0.634 18.367 19.000 0.002 0.000 0.814 387 A HN 0.147 nan 8.150 nan 0.000 0.444 388 V N -0.254 119.658 119.914 -0.003 0.000 2.453 388 V HA -0.121 3.999 4.120 0.000 0.000 0.247 388 V C 2.763 178.854 176.094 -0.005 0.000 1.048 388 V CA 1.699 63.995 62.300 -0.006 0.000 1.049 388 V CB -1.190 30.627 31.823 -0.009 0.000 0.672 388 V HN 0.605 nan 8.190 nan 0.000 0.457 389 G N 0.648 109.446 108.800 -0.003 0.000 2.418 389 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 389 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 389 G C 1.697 176.596 174.900 -0.001 0.000 1.158 389 G CA 1.575 46.673 45.100 -0.003 0.000 0.771 389 G HN 0.560 nan 8.290 nan 0.000 0.545 390 V N -1.337 118.577 119.914 0.000 0.000 2.591 390 V HA -0.012 4.108 4.120 0.000 0.000 0.249 390 V C 2.677 178.771 176.094 0.001 0.000 1.053 390 V CA 1.264 63.565 62.300 0.001 0.000 1.068 390 V CB -0.532 31.293 31.823 0.004 0.000 0.689 390 V HN 0.130 nan 8.190 nan 0.000 0.462 391 V N 2.065 121.979 119.914 -0.001 0.000 2.427 391 V HA -0.042 4.078 4.120 0.000 0.000 0.248 391 V C 2.909 179.002 176.094 -0.003 0.000 1.051 391 V CA 2.160 64.459 62.300 -0.002 0.000 1.048 391 V CB -1.416 30.406 31.823 -0.003 0.000 0.666 391 V HN 0.618 nan 8.190 nan 0.000 0.456 392 G N -1.365 107.433 108.800 -0.004 0.000 2.432 392 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 392 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 392 G C 1.663 176.562 174.900 -0.003 0.000 1.135 392 G CA 1.273 46.370 45.100 -0.005 0.000 0.767 392 G HN 0.540 nan 8.290 nan 0.000 0.550 393 C N 0.464 119.763 119.300 -0.002 0.000 2.446 393 C HA 0.067 4.527 4.460 0.000 0.000 0.279 393 C C 3.145 178.135 174.990 -0.000 0.000 1.366 393 C CA 1.433 60.450 59.018 -0.001 0.000 1.763 393 C CB -0.709 27.031 27.740 0.000 0.000 1.929 393 C HN 0.435 nan 8.230 nan 0.000 0.509 394 T N 0.970 115.524 114.554 0.000 0.000 2.937 394 T HA 0.062 4.412 4.350 0.000 0.000 0.260 394 T C 1.644 176.344 174.700 0.000 0.000 1.051 394 T CA 0.869 62.969 62.100 0.001 0.000 1.141 394 T CB -0.137 68.731 68.868 0.001 0.000 0.879 394 T HN 0.444 nan 8.240 nan 0.000 0.459 395 I N 1.187 121.756 120.570 -0.001 0.000 2.226 395 I HA -0.165 4.005 4.170 0.000 0.000 0.245 395 I C 2.603 178.719 176.117 -0.000 0.000 1.100 395 I CA 1.433 62.733 61.300 -0.001 0.000 1.374 395 I CB -0.300 37.698 38.000 -0.002 0.000 1.057 395 I HN 0.322 nan 8.210 nan 0.000 0.413 396 E N 0.588 120.787 120.200 -0.001 0.000 2.028 396 E HA -0.178 4.172 4.350 0.000 0.000 0.190 396 E C 1.728 178.327 176.600 -0.000 0.000 0.984 396 E CA 1.221 57.620 56.400 -0.001 0.000 0.800 396 E CB -0.029 29.670 29.700 -0.001 0.000 0.758 396 E HN 0.443 nan 8.360 nan 0.000 0.448 397 D N -0.636 119.764 120.400 -0.000 0.000 2.103 397 D HA -0.045 4.595 4.640 0.000 0.000 0.199 397 D C 1.412 177.712 176.300 0.000 0.000 0.978 397 D CA 1.390 55.390 54.000 0.000 0.000 0.829 397 D CB -0.204 40.596 40.800 0.000 0.000 0.981 397 D HN 0.351 nan 8.370 nan 0.000 0.464 398 G N 0.732 109.533 108.800 0.001 0.000 2.153 398 G HA2 -0.324 3.636 3.960 0.000 0.000 0.252 398 G HA3 -0.324 3.636 3.960 0.000 0.000 0.252 398 G C 0.255 175.156 174.900 0.001 0.000 0.994 398 G CA 0.191 45.292 45.100 0.001 0.000 0.698 398 G HN 0.322 nan 8.290 nan 0.000 0.521 399 R N -0.197 120.303 120.500 0.001 0.000 2.575 399 R HA 0.707 5.047 4.340 0.000 0.000 0.293 399 R C 0.294 176.595 176.300 0.002 0.000 0.983 399 R CA -0.650 55.450 56.100 0.001 0.000 0.887 399 R CB 1.621 31.921 30.300 0.000 0.000 1.184 399 R HN 0.529 nan 8.270 nan 0.000 0.445 400 I N -0.389 120.183 120.570 0.003 0.000 2.892 400 I HA 0.797 4.967 4.170 0.000 0.000 0.306 400 I C -0.446 175.675 176.117 0.007 0.000 1.078 400 I CA -1.178 60.125 61.300 0.005 0.000 1.032 400 I CB 2.176 40.180 38.000 0.006 0.000 1.229 400 I HN 0.374 nan 8.210 nan 0.000 0.435 401 V N 0.469 120.389 119.914 0.009 0.000 3.126 401 V HA 0.733 4.853 4.120 0.000 0.000 0.314 401 V C 0.158 176.262 176.094 0.017 0.000 1.138 401 V CA -0.517 61.791 62.300 0.013 0.000 1.034 401 V CB 1.243 33.075 31.823 0.014 0.000 1.075 401 V HN 1.001 nan 8.190 nan 0.000 0.442 402 S N 0.910 116.624 115.700 0.023 0.000 2.584 402 S HA 0.768 5.239 4.470 0.000 0.000 0.273 402 S C 0.375 174.993 174.600 0.029 0.000 1.311 402 S CA 0.099 58.315 58.200 0.027 0.000 1.034 402 S CB 0.994 64.213 63.200 0.032 0.000 0.939 402 S HN 1.713 nan 8.310 nan 0.000 0.513 403 G N -0.026 108.791 108.800 0.029 0.000 2.606 403 G HA2 0.560 4.520 3.960 0.000 0.000 0.262 403 G HA3 0.560 4.520 3.960 0.000 0.000 0.262 403 G C 0.821 175.736 174.900 0.025 0.000 1.394 403 G CA -0.641 44.473 45.100 0.024 0.000 1.044 403 G HN 2.028 nan 8.290 nan 0.000 0.553 404 G N -1.980 106.828 108.800 0.015 0.000 2.221 404 G HA2 0.255 4.215 3.960 0.000 0.000 0.265 404 G HA3 0.255 4.215 3.960 0.000 0.000 0.265 404 G C 1.404 176.302 174.900 -0.003 0.000 1.041 404 G CA 1.076 46.179 45.100 0.005 0.000 0.807 404 G HN 2.479 nan 8.290 nan 0.000 0.502 405 G N -1.451 107.345 108.800 -0.007 0.000 2.153 405 G HA2 -0.126 3.835 3.960 0.000 0.000 0.252 405 G HA3 -0.126 3.835 3.960 0.000 0.000 0.252 405 G C 1.373 176.264 174.900 -0.016 0.000 0.994 405 G CA 1.669 46.756 45.100 -0.021 0.000 0.698 405 G HN 1.856 nan 8.290 nan 0.000 0.521 406 S N -0.375 115.339 115.700 0.023 0.000 2.357 406 S HA -0.069 4.401 4.470 0.000 0.000 0.221 406 S C 2.661 177.315 174.600 0.090 0.000 1.031 406 S CA 2.376 60.625 58.200 0.081 0.000 0.982 406 S CB -0.352 62.915 63.200 0.111 0.000 0.853 406 S HN 1.248 nan 8.310 nan 0.000 0.458 407 T N -1.128 113.462 114.554 0.060 0.000 3.163 407 T HA 0.168 4.518 4.350 0.000 0.000 0.260 407 T C 1.239 175.949 174.700 0.016 0.000 1.156 407 T CA 0.810 62.943 62.100 0.054 0.000 1.072 407 T CB -0.208 68.683 68.868 0.038 0.000 0.937 407 T HN 0.316 nan 8.240 nan 0.000 0.528 408 E N 0.841 121.031 120.200 -0.017 0.000 2.086 408 E HA 0.100 4.450 4.350 0.000 0.000 0.190 408 E C 2.268 178.823 176.600 -0.075 0.000 0.975 408 E CA 0.409 56.785 56.400 -0.041 0.000 0.813 408 E CB -0.316 29.352 29.700 -0.052 0.000 0.768 408 E HN 0.308 nan 8.360 nan 0.000 0.457 409 V N 1.052 120.880 119.914 -0.144 0.000 2.307 409 V HA -0.246 3.875 4.120 0.000 0.000 0.245 409 V C 2.317 178.263 176.094 -0.246 0.000 1.045 409 V CA 2.046 64.185 62.300 -0.267 0.000 1.024 409 V CB -0.398 31.122 31.823 -0.506 0.000 0.651 409 V HN 0.235 nan 8.190 nan 0.000 0.449 410 E N 0.356 120.462 120.200 -0.157 0.000 2.077 410 E HA -0.246 4.104 4.350 0.000 0.000 0.193 410 E C 1.948 178.579 176.600 0.053 0.000 0.989 410 E CA 1.515 57.979 56.400 0.107 0.000 0.800 410 E CB -0.421 29.439 29.700 0.267 0.000 0.746 410 E HN 0.403 nan 8.360 nan 0.000 0.452 411 L N 0.044 121.283 121.223 0.026 0.000 2.141 411 L HA -0.034 4.306 4.340 0.000 0.000 0.209 411 L C 2.363 179.250 176.870 0.029 0.000 1.094 411 L CA 1.828 56.684 54.840 0.026 0.000 0.763 411 L CB -0.851 41.223 42.059 0.025 0.000 0.908 411 L HN 0.192 nan 8.230 nan 0.000 0.437 412 S N -0.400 115.303 115.700 0.006 0.000 2.345 412 S HA -0.241 4.229 4.470 0.000 0.000 0.220 412 S C 2.128 176.745 174.600 0.027 0.000 1.031 412 S CA 1.720 59.927 58.200 0.013 0.000 0.996 412 S CB -0.311 62.872 63.200 -0.028 0.000 0.882 412 S HN 0.624 nan 8.310 nan 0.000 0.445 413 M N -0.263 119.346 119.600 0.014 0.000 2.319 413 M HA 0.111 4.591 4.480 0.000 0.000 0.265 413 M C 1.664 177.997 176.300 0.055 0.000 1.068 413 M CA 1.364 56.683 55.300 0.032 0.000 1.118 413 M CB -0.212 32.407 32.600 0.031 0.000 1.395 413 M HN -0.007 nan 8.290 nan 0.000 0.435 414 K N 1.126 121.560 120.400 0.056 0.000 2.228 414 K HA 0.137 4.457 4.320 0.000 0.000 0.202 414 K C 1.959 178.611 176.600 0.087 0.000 1.051 414 K CA 0.948 57.272 56.287 0.062 0.000 0.960 414 K CB -0.205 32.319 32.500 0.039 0.000 0.743 414 K HN 0.491 nan 8.250 nan 0.000 0.458 415 L N 0.177 121.454 121.223 0.090 0.000 2.240 415 L HA -0.032 4.308 4.340 0.000 0.000 0.211 415 L C 2.431 179.410 176.870 0.182 0.000 1.106 415 L CA 0.669 55.597 54.840 0.147 0.000 0.793 415 L CB -0.118 42.019 42.059 0.131 0.000 0.927 415 L HN 0.084 nan 8.230 nan 0.000 0.446 416 R N 0.258 120.829 120.500 0.118 0.000 2.119 416 R HA -0.125 4.215 4.340 0.000 0.000 0.222 416 R C 1.957 178.303 176.300 0.077 0.000 1.088 416 R CA 1.296 57.449 56.100 0.089 0.000 0.984 416 R CB 0.056 30.392 30.300 0.060 0.000 0.884 416 R HN 0.532 nan 8.270 nan 0.000 0.447 417 E N -0.801 119.454 120.200 0.091 0.000 2.385 417 E HA -0.154 4.196 4.350 0.000 0.000 0.194 417 E C 1.389 178.050 176.600 0.102 0.000 1.013 417 E CA 0.408 56.853 56.400 0.075 0.000 0.866 417 E CB -0.194 29.546 29.700 0.067 0.000 0.832 417 E HN 0.363 nan 8.360 nan 0.000 0.500 418 Y N 1.724 122.029 120.300 0.009 0.000 2.395 418 Y HA 0.199 4.750 4.550 0.000 0.000 0.293 418 Y C 2.313 178.214 175.900 0.002 0.000 1.123 418 Y CA 0.881 58.982 58.100 0.002 0.000 1.227 418 Y CB -0.136 38.321 38.460 -0.005 0.000 1.012 418 Y HN 0.118 nan 8.280 nan 0.000 0.552 419 A N 0.481 123.256 122.820 -0.074 0.000 1.969 419 A HA -0.139 4.181 4.320 0.000 0.000 0.218 419 A C 1.993 179.493 177.584 -0.140 0.000 1.169 419 A CA 1.595 53.544 52.037 -0.146 0.000 0.635 419 A CB -0.582 18.416 19.000 -0.003 0.000 0.810 419 A HN 0.612 nan 8.150 nan 0.000 0.445 420 E N -0.511 119.642 120.200 -0.078 0.000 2.265 420 E HA -0.104 4.246 4.350 0.000 0.000 0.196 420 E C 1.546 178.094 176.600 -0.087 0.000 0.996 420 E CA 0.651 57.016 56.400 -0.059 0.000 0.832 420 E CB -0.234 29.452 29.700 -0.024 0.000 0.756 420 E HN 0.584 nan 8.360 nan 0.000 0.491 421 G N 0.753 109.469 108.800 -0.140 0.000 3.383 421 G HA2 0.210 4.170 3.960 0.000 0.000 0.251 421 G HA3 0.210 4.170 3.960 0.000 0.000 0.251 421 G C 0.228 175.010 174.900 -0.195 0.000 1.203 421 G CA -0.248 44.766 45.100 -0.142 0.000 0.852 421 G HN 0.011 nan 8.290 nan 0.000 0.531 422 I N 1.728 122.177 120.570 -0.201 0.000 2.418 422 I HA 0.259 4.429 4.170 0.000 0.000 0.287 422 I C -0.115 175.942 176.117 -0.101 0.000 1.008 422 I CA -0.740 60.452 61.300 -0.180 0.000 1.104 422 I CB 2.219 40.078 38.000 -0.235 0.000 1.264 422 I HN 0.068 nan 8.210 nan 0.000 0.438 423 S N 4.263 119.919 115.700 -0.073 0.000 2.578 423 S HA 0.948 5.418 4.470 0.000 0.000 0.283 423 S C 0.120 174.697 174.600 -0.039 0.000 1.195 423 S CA -0.171 58.001 58.200 -0.047 0.000 1.050 423 S CB 1.875 65.053 63.200 -0.037 0.000 1.012 423 S HN 1.223 nan 8.310 nan 0.000 0.511 424 G N 1.385 110.169 108.800 -0.028 0.000 2.462 424 G HA2 -0.100 3.860 3.960 0.000 0.000 0.685 424 G HA3 -0.100 3.860 3.960 0.000 0.000 0.685 424 G C -0.118 174.774 174.900 -0.014 0.000 1.295 424 G CA -0.519 44.569 45.100 -0.020 0.000 0.941 424 G HN 0.706 nan 8.290 nan 0.000 0.554 425 R N 0.296 120.792 120.500 -0.007 0.000 2.275 425 R HA 0.095 4.435 4.340 0.000 0.000 0.199 425 R C 2.497 178.802 176.300 0.007 0.000 0.989 425 R CA 1.446 57.547 56.100 0.002 0.000 1.016 425 R CB -0.142 30.162 30.300 0.006 0.000 0.918 425 R HN 0.755 nan 8.270 nan 0.000 0.473 426 E N 0.192 120.393 120.200 0.002 0.000 2.265 426 E HA -0.293 4.057 4.350 0.000 0.000 0.196 426 E C 1.688 178.302 176.600 0.023 0.000 0.996 426 E CA 0.863 57.271 56.400 0.013 0.000 0.832 426 E CB -0.219 29.484 29.700 0.005 0.000 0.756 426 E HN 0.370 nan 8.360 nan 0.000 0.491 427 Q N 1.294 121.094 119.800 0.001 0.000 2.181 427 Q HA -0.166 4.174 4.340 0.000 0.000 0.205 427 Q C 2.174 178.194 176.000 0.033 0.000 0.980 427 Q CA 1.195 56.996 55.803 -0.004 0.000 0.862 427 Q CB -0.087 28.637 28.738 -0.025 0.000 0.905 427 Q HN 0.448 nan 8.270 nan 0.000 0.429 428 L N -0.096 121.151 121.223 0.040 0.000 2.275 428 L HA -0.078 4.262 4.340 0.000 0.000 0.215 428 L C 2.397 179.332 176.870 0.109 0.000 1.119 428 L CA 0.745 55.620 54.840 0.059 0.000 0.790 428 L CB -0.381 41.703 42.059 0.041 0.000 0.919 428 L HN 0.263 nan 8.230 nan 0.000 0.443 429 A N -0.605 122.294 122.820 0.130 0.000 1.975 429 A HA -0.020 4.300 4.320 0.000 0.000 0.215 429 A C 2.249 180.058 177.584 0.375 0.000 1.170 429 A CA 0.709 52.896 52.037 0.250 0.000 0.656 429 A CB -0.351 18.746 19.000 0.160 0.000 0.821 429 A HN 0.149 nan 8.150 nan 0.000 0.449 430 V N 0.327 120.375 119.914 0.224 0.000 2.358 430 V HA -0.236 3.884 4.120 0.000 0.000 0.246 430 V C 2.540 178.752 176.094 0.196 0.000 1.047 430 V CA 2.086 64.500 62.300 0.191 0.000 1.035 430 V CB -0.851 31.041 31.823 0.115 0.000 0.658 430 V HN 0.510 nan 8.190 nan 0.000 0.452 431 R N 0.414 121.002 120.500 0.146 0.000 2.120 431 R HA -0.077 4.263 4.340 0.000 0.000 0.234 431 R C 2.404 178.785 176.300 0.136 0.000 1.123 431 R CA 1.372 57.543 56.100 0.119 0.000 0.975 431 R CB -0.541 29.806 30.300 0.078 0.000 0.866 431 R HN 0.538 nan 8.270 nan 0.000 0.446 432 A N 0.554 123.486 122.820 0.187 0.000 1.930 432 A HA -0.151 4.169 4.320 0.000 0.000 0.217 432 A C 1.928 179.595 177.584 0.137 0.000 1.175 432 A CA 0.872 53.023 52.037 0.190 0.000 0.627 432 A CB -0.518 18.661 19.000 0.299 0.000 0.815 432 A HN 0.333 nan 8.150 nan 0.000 0.443 433 F N 0.695 120.635 119.950 -0.016 0.000 2.146 433 F HA -0.023 4.504 4.527 0.000 0.000 0.298 433 F C 2.544 178.275 175.800 -0.115 0.000 1.096 433 F CA 1.178 59.043 58.000 -0.225 0.000 1.275 433 F CB -0.137 38.695 39.000 -0.281 0.000 1.008 433 F HN 0.259 nan 8.300 nan 0.000 0.480 434 A N -0.082 122.870 122.820 0.220 0.000 1.877 434 A HA -0.200 4.120 4.320 0.000 0.000 0.216 434 A C 1.839 179.435 177.584 0.019 0.000 1.186 434 A CA 2.019 54.135 52.037 0.133 0.000 0.620 434 A CB -0.931 18.144 19.000 0.126 0.000 0.822 434 A HN 0.398 nan 8.150 nan 0.000 0.443 435 D N -0.052 120.355 120.400 0.012 0.000 2.264 435 D HA 0.053 4.694 4.640 0.000 0.000 0.208 435 D C 2.039 178.300 176.300 -0.065 0.000 0.966 435 D CA 1.164 55.153 54.000 -0.018 0.000 0.864 435 D CB -0.260 40.542 40.800 0.004 0.000 0.933 435 D HN 0.445 nan 8.370 nan 0.000 0.499 436 A N 0.442 123.188 122.820 -0.123 0.000 1.929 436 A HA -0.046 4.274 4.320 0.000 0.000 0.216 436 A C 2.250 179.715 177.584 -0.198 0.000 1.176 436 A CA 0.513 52.438 52.037 -0.186 0.000 0.628 436 A CB -0.617 18.193 19.000 -0.316 0.000 0.816 436 A HN 0.195 nan 8.150 nan 0.000 0.444 437 L N -0.403 120.695 121.223 -0.208 0.000 2.187 437 L HA -0.182 4.158 4.340 0.000 0.000 0.213 437 L C 2.025 178.833 176.870 -0.105 0.000 1.100 437 L CA 1.211 55.956 54.840 -0.157 0.000 0.765 437 L CB -0.463 41.533 42.059 -0.105 0.000 0.904 437 L HN 0.461 nan 8.230 nan 0.000 0.437 438 E N -0.673 119.474 120.200 -0.089 0.000 2.526 438 E HA -0.133 4.217 4.350 0.000 0.000 0.198 438 E C 1.909 178.467 176.600 -0.071 0.000 1.091 438 E CA 0.068 56.423 56.400 -0.075 0.000 0.880 438 E CB 0.175 29.837 29.700 -0.064 0.000 0.873 438 E HN 0.269 nan 8.360 nan 0.000 0.527 439 V N 0.701 120.567 119.914 -0.080 0.000 2.871 439 V HA -0.155 3.966 4.120 0.000 0.000 0.256 439 V C 1.588 177.644 176.094 -0.064 0.000 1.082 439 V CA 0.822 63.079 62.300 -0.071 0.000 1.105 439 V CB -0.089 31.687 31.823 -0.079 0.000 0.713 439 V HN 0.265 nan 8.190 nan 0.000 0.473 440 I N 1.041 121.571 120.570 -0.066 0.000 2.277 440 I HA 0.014 4.184 4.170 0.000 0.000 0.243 440 I C 0.036 176.121 176.117 -0.053 0.000 1.094 440 I CA 1.148 62.414 61.300 -0.057 0.000 1.393 440 I CB -2.693 35.275 38.000 -0.053 0.000 1.078 440 I HN 0.343 nan 8.210 nan 0.000 0.417 441 P HA -0.116 nan 4.420 nan 0.000 0.217 441 P C 1.873 179.142 177.300 -0.051 0.000 1.150 441 P CA 1.409 64.477 63.100 -0.054 0.000 0.832 441 P CB -0.075 31.587 31.700 -0.063 0.000 0.787 442 R N -0.181 120.288 120.500 -0.051 0.000 2.066 442 R HA -0.082 4.258 4.340 0.000 0.000 0.232 442 R C 2.124 178.397 176.300 -0.046 0.000 1.131 442 R CA 2.175 58.247 56.100 -0.047 0.000 0.955 442 R CB -0.889 29.384 30.300 -0.045 0.000 0.851 442 R HN 0.224 nan 8.270 nan 0.000 0.432 443 T N -1.322 113.204 114.554 -0.047 0.000 3.035 443 T HA -0.007 4.343 4.350 0.000 0.000 0.268 443 T C 1.873 176.543 174.700 -0.050 0.000 1.109 443 T CA 0.619 62.691 62.100 -0.046 0.000 1.119 443 T CB -0.131 68.711 68.868 -0.044 0.000 0.900 443 T HN 0.158 nan 8.240 nan 0.000 0.503 444 L N 0.459 121.649 121.223 -0.055 0.000 2.109 444 L HA 0.119 4.459 4.340 0.000 0.000 0.207 444 L C 3.240 180.066 176.870 -0.073 0.000 1.086 444 L CA 1.146 55.946 54.840 -0.066 0.000 0.760 444 L CB -0.622 41.397 42.059 -0.066 0.000 0.910 444 L HN 0.394 nan 8.230 nan 0.000 0.437 445 A N -0.122 122.661 122.820 -0.061 0.000 1.898 445 A HA -0.161 4.159 4.320 0.000 0.000 0.214 445 A C 2.123 179.676 177.584 -0.052 0.000 1.183 445 A CA 1.126 53.129 52.037 -0.057 0.000 0.622 445 A CB -0.326 18.646 19.000 -0.046 0.000 0.824 445 A HN 0.379 nan 8.150 nan 0.000 0.444 446 E N 0.344 120.517 120.200 -0.046 0.000 2.070 446 E HA -0.208 4.142 4.350 0.000 0.000 0.197 446 E C 1.598 178.172 176.600 -0.042 0.000 1.004 446 E CA 1.394 57.771 56.400 -0.040 0.000 0.805 446 E CB -0.238 29.440 29.700 -0.036 0.000 0.744 446 E HN 0.531 nan 8.360 nan 0.000 0.451 447 N N 0.366 119.036 118.700 -0.048 0.000 2.381 447 N HA -0.077 4.663 4.740 0.000 0.000 0.182 447 N C 1.496 176.970 175.510 -0.059 0.000 1.025 447 N CA 1.015 54.036 53.050 -0.049 0.000 0.888 447 N CB -0.106 38.351 38.487 -0.050 0.000 0.965 447 N HN 0.124 nan 8.380 nan 0.000 0.438 448 A N -0.034 122.742 122.820 -0.074 0.000 2.067 448 A HA 0.306 4.626 4.320 0.000 0.000 0.217 448 A C 1.775 179.323 177.584 -0.061 0.000 1.156 448 A CA 1.505 53.488 52.037 -0.090 0.000 0.683 448 A CB -0.291 18.639 19.000 -0.117 0.000 0.808 448 A HN 0.349 nan 8.150 nan 0.000 0.455 449 G N -2.204 106.568 108.800 -0.047 0.000 2.232 449 G HA2 -0.179 3.781 3.960 0.000 0.000 0.226 449 G HA3 -0.179 3.781 3.960 0.000 0.000 0.226 449 G C 0.163 175.045 174.900 -0.030 0.000 0.996 449 G CA 0.167 45.247 45.100 -0.033 0.000 0.626 449 G HN 0.385 nan 8.290 nan 0.000 0.509 450 L N 1.291 122.492 121.223 -0.037 0.000 2.476 450 L HA 0.492 4.832 4.340 0.000 0.000 0.255 450 L C 0.736 177.590 176.870 -0.027 0.000 1.218 450 L CA -0.009 54.812 54.840 -0.031 0.000 0.819 450 L CB 0.334 42.371 42.059 -0.036 0.000 1.119 450 L HN 0.162 nan 8.230 nan 0.000 0.485 451 D N 0.040 120.427 120.400 -0.022 0.000 2.352 451 D HA 0.252 4.892 4.640 0.000 0.000 0.245 451 D C 0.616 176.902 176.300 -0.022 0.000 1.224 451 D CA 0.275 54.264 54.000 -0.019 0.000 0.879 451 D CB 1.430 42.221 40.800 -0.015 0.000 1.057 451 D HN 0.557 nan 8.370 nan 0.000 0.491 452 A N 4.292 127.098 122.820 -0.025 0.000 1.969 452 A HA -0.114 4.206 4.320 0.000 0.000 0.218 452 A C 2.109 179.678 177.584 -0.025 0.000 1.169 452 A CA 0.910 52.930 52.037 -0.028 0.000 0.635 452 A CB -0.386 18.595 19.000 -0.031 0.000 0.810 452 A HN 0.739 nan 8.150 nan 0.000 0.445 453 I N -0.967 119.591 120.570 -0.021 0.000 2.333 453 I HA -0.136 4.034 4.170 0.000 0.000 0.246 453 I C 2.416 178.523 176.117 -0.016 0.000 1.106 453 I CA 1.547 62.836 61.300 -0.018 0.000 1.411 453 I CB -0.355 37.636 38.000 -0.015 0.000 1.082 453 I HN 0.328 nan 8.210 nan 0.000 0.420 454 E N 1.970 122.162 120.200 -0.014 0.000 2.047 454 E HA -0.159 4.191 4.350 0.000 0.000 0.191 454 E C 2.129 178.723 176.600 -0.010 0.000 0.987 454 E CA 1.503 57.897 56.400 -0.010 0.000 0.799 454 E CB -0.205 29.490 29.700 -0.009 0.000 0.752 454 E HN 0.430 nan 8.360 nan 0.000 0.449 455 I N 0.023 120.585 120.570 -0.014 0.000 2.226 455 I HA -0.212 3.958 4.170 0.000 0.000 0.245 455 I C 2.144 178.251 176.117 -0.016 0.000 1.100 455 I CA 0.551 61.843 61.300 -0.014 0.000 1.374 455 I CB -0.207 37.781 38.000 -0.020 0.000 1.057 455 I HN 0.215 nan 8.210 nan 0.000 0.413 456 L N 0.271 121.480 121.223 -0.024 0.000 2.261 456 L HA -0.163 4.177 4.340 0.000 0.000 0.216 456 L C 2.105 178.959 176.870 -0.026 0.000 1.114 456 L CA 1.561 56.382 54.840 -0.032 0.000 0.777 456 L CB -0.302 41.737 42.059 -0.034 0.000 0.910 456 L HN 0.001 nan 8.230 nan 0.000 0.440 457 V N -1.486 118.419 119.914 -0.015 0.000 2.599 457 V HA -0.127 3.993 4.120 0.000 0.000 0.245 457 V C 2.331 178.427 176.094 0.003 0.000 1.046 457 V CA 1.086 63.382 62.300 -0.007 0.000 1.065 457 V CB -0.339 31.481 31.823 -0.004 0.000 0.703 457 V HN 0.372 nan 8.190 nan 0.000 0.464 458 K N -0.127 120.276 120.400 0.005 0.000 2.148 458 K HA -0.057 4.263 4.320 0.000 0.000 0.204 458 K C 1.987 178.607 176.600 0.033 0.000 1.050 458 K CA 1.027 57.324 56.287 0.017 0.000 0.942 458 K CB -0.107 32.402 32.500 0.014 0.000 0.724 458 K HN 0.315 nan 8.250 nan 0.000 0.446 459 V N 0.902 120.830 119.914 0.024 0.000 2.649 459 V HA -0.109 4.011 4.120 0.000 0.000 0.248 459 V C 2.258 178.378 176.094 0.043 0.000 1.054 459 V CA 1.200 63.529 62.300 0.048 0.000 1.073 459 V CB -0.326 31.494 31.823 -0.005 0.000 0.699 459 V HN 0.246 nan 8.190 nan 0.000 0.463 460 R N 0.194 120.686 120.500 -0.013 0.000 2.090 460 R HA -0.055 4.285 4.340 0.000 0.000 0.228 460 R C 2.179 178.508 176.300 0.048 0.000 1.110 460 R CA 1.394 57.479 56.100 -0.024 0.000 0.973 460 R CB -0.250 30.031 30.300 -0.031 0.000 0.869 460 R HN 0.491 nan 8.270 nan 0.000 0.440 461 A N -0.056 122.793 122.820 0.048 0.000 2.067 461 A HA 0.103 4.423 4.320 0.000 0.000 0.217 461 A C 1.851 179.477 177.584 0.069 0.000 1.156 461 A CA 1.086 53.154 52.037 0.051 0.000 0.683 461 A CB -0.052 18.967 19.000 0.031 0.000 0.808 461 A HN 0.400 nan 8.150 nan 0.000 0.455 462 A N -2.178 120.701 122.820 0.100 0.000 2.307 462 A HA 0.158 4.478 4.320 0.000 0.000 0.218 462 A C 1.520 179.161 177.584 0.096 0.000 1.228 462 A CA 0.359 52.449 52.037 0.088 0.000 0.857 462 A CB -0.569 18.481 19.000 0.083 0.000 0.897 462 A HN 0.652 nan 8.150 nan 0.000 0.495 463 H N -1.152 117.921 119.070 0.005 0.000 2.855 463 H HA 0.333 4.889 4.556 0.000 0.000 0.259 463 H C 1.153 176.485 175.328 0.007 0.000 0.972 463 H CA 0.471 56.522 56.048 0.006 0.000 1.213 463 H CB 0.490 30.255 29.762 0.006 0.000 1.451 463 H HN 0.509 nan 8.280 nan 0.000 0.484 464 A N 1.498 124.388 122.820 0.117 0.000 2.445 464 A HA 0.314 4.634 4.320 0.000 0.000 0.242 464 A C 1.211 178.817 177.584 0.037 0.000 1.075 464 A CA 0.796 52.874 52.037 0.068 0.000 0.777 464 A CB 0.249 19.281 19.000 0.052 0.000 1.013 464 A HN 0.682 nan 8.150 nan 0.000 0.493 465 S N 1.676 117.394 115.700 0.030 0.000 4.158 465 S HA -0.271 4.199 4.470 0.000 0.000 0.613 465 S C 0.935 175.540 174.600 0.009 0.000 1.866 465 S CA 1.314 59.525 58.200 0.017 0.000 4.250 465 S CB -1.632 61.575 63.200 0.012 0.000 0.202 465 S HN 0.891 nan 8.310 nan 0.000 0.455 466 N N 2.572 121.270 118.700 -0.003 0.000 3.039 466 N HA 0.394 5.134 4.740 0.000 0.000 0.231 466 N C 0.975 176.462 175.510 -0.039 0.000 1.053 466 N CA 0.837 53.878 53.050 -0.014 0.000 1.191 466 N CB -0.969 37.510 38.487 -0.013 0.000 1.597 466 N HN 0.992 nan 8.380 nan 0.000 0.585 467 G N 0.654 109.426 108.800 -0.048 0.000 2.606 467 G HA2 0.130 4.090 3.960 0.000 0.000 0.252 467 G HA3 0.130 4.090 3.960 0.000 0.000 0.252 467 G C 0.530 175.351 174.900 -0.131 0.000 1.206 467 G CA -0.152 44.898 45.100 -0.084 0.000 0.861 467 G HN 0.183 nan 8.290 nan 0.000 0.561 468 N N -0.251 118.301 118.700 -0.248 0.000 2.436 468 N HA -0.005 4.736 4.740 0.000 0.000 0.178 468 N C 1.644 176.994 175.510 -0.267 0.000 1.026 468 N CA 0.779 53.698 53.050 -0.219 0.000 0.880 468 N CB 0.051 38.429 38.487 -0.182 0.000 1.061 468 N HN 0.815 nan 8.380 nan 0.000 0.434 469 K N -0.859 119.218 120.400 -0.538 0.000 3.471 469 K HA -0.201 4.119 4.320 0.000 0.000 0.289 469 K C 0.272 176.778 176.600 -0.156 0.000 0.879 469 K CA 1.310 57.397 56.287 -0.333 0.000 1.257 469 K CB -1.722 30.714 32.500 -0.108 0.000 1.334 469 K HN 0.301 nan 8.250 nan 0.000 0.491 470 c N 2.089 120.600 118.600 -0.147 0.000 2.778 470 c HA 0.676 5.246 4.570 0.000 0.000 0.294 470 c C 0.681 174.766 174.090 -0.009 0.000 1.331 470 c CA 0.285 56.592 56.329 -0.036 0.000 1.741 470 c CB -0.881 41.613 42.510 -0.027 0.000 2.106 470 c HN 0.448 nan 8.230 nan 0.000 0.603 471 A N 0.489 123.289 122.820 -0.033 0.000 2.274 471 A HA 0.759 5.079 4.320 0.000 0.000 0.309 471 A C 0.337 178.045 177.584 0.207 0.000 1.226 471 A CA 0.388 52.458 52.037 0.056 0.000 0.853 471 A CB 0.328 19.326 19.000 -0.003 0.000 1.146 471 A HN 0.742 nan 8.150 nan 0.000 0.518 472 G N 0.343 109.211 108.800 0.113 0.000 2.645 472 G HA2 0.527 4.487 3.960 0.000 0.000 0.292 472 G HA3 0.527 4.487 3.960 0.000 0.000 0.292 472 G C -1.485 173.442 174.900 0.043 0.000 1.415 472 G CA -0.732 44.418 45.100 0.085 0.000 0.785 472 G HN 1.040 nan 8.290 nan 0.000 0.483 473 L N 0.927 122.160 121.223 0.017 0.000 2.360 473 L HA 0.527 4.867 4.340 0.000 0.000 0.276 473 L C -0.210 176.655 176.870 -0.009 0.000 1.121 473 L CA -0.862 53.977 54.840 -0.002 0.000 0.845 473 L CB 0.815 42.858 42.059 -0.025 0.000 1.143 473 L HN 0.431 nan 8.230 nan 0.000 0.452 474 N N 3.472 122.173 118.700 0.001 0.000 2.485 474 N HA 0.131 4.872 4.740 0.000 0.000 0.243 474 N C 0.913 176.388 175.510 -0.058 0.000 0.987 474 N CA -0.135 52.921 53.050 0.010 0.000 0.940 474 N CB 1.209 39.741 38.487 0.074 0.000 1.122 474 N HN 0.554 nan 8.380 nan 0.000 0.509 475 V N 1.732 121.518 119.914 -0.213 0.000 2.867 475 V HA -0.078 4.043 4.120 0.000 0.000 0.260 475 V C 1.153 177.019 176.094 -0.380 0.000 1.099 475 V CA 1.354 63.442 62.300 -0.353 0.000 1.122 475 V CB -1.084 30.427 31.823 -0.521 0.000 0.708 475 V HN 0.375 nan 8.190 nan 0.000 0.490 476 F N 1.168 121.118 119.950 0.001 0.000 2.317 476 F HA 0.125 4.652 4.527 0.000 0.000 0.290 476 F C 2.613 178.414 175.800 0.001 0.000 1.075 476 F CA 1.378 59.379 58.000 0.001 0.000 1.380 476 F CB -1.214 37.786 39.000 0.001 0.000 1.093 476 F HN 0.018 nan 8.300 nan 0.000 0.524 477 T N -0.968 113.690 114.554 0.173 0.000 2.812 477 T HA 0.166 4.516 4.350 0.000 0.000 0.264 477 T C 2.089 176.820 174.700 0.052 0.000 1.042 477 T CA 1.591 63.750 62.100 0.098 0.000 1.140 477 T CB -0.738 68.177 68.868 0.079 0.000 0.870 477 T HN 0.510 nan 8.240 nan 0.000 0.445 478 G N 1.293 110.108 108.800 0.025 0.000 2.399 478 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 478 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 478 G C 0.355 175.256 174.900 0.003 0.000 1.096 478 G CA 0.046 45.148 45.100 0.003 0.000 0.650 478 G HN 0.934 nan 8.290 nan 0.000 0.512 479 A N 0.033 122.862 122.820 0.015 0.000 2.252 479 A HA 0.788 5.108 4.320 0.000 0.000 0.305 479 A C 0.589 178.183 177.584 0.018 0.000 1.097 479 A CA 0.456 52.502 52.037 0.014 0.000 0.849 479 A CB 1.401 20.411 19.000 0.017 0.000 1.142 479 A HN 1.710 nan 8.150 nan 0.000 0.499 480 V N 0.659 120.585 119.914 0.020 0.000 2.439 480 V HA 0.326 4.446 4.120 0.000 0.000 0.271 480 V C 0.093 176.205 176.094 0.030 0.000 1.040 480 V CA 0.364 62.681 62.300 0.027 0.000 1.002 480 V CB 0.111 31.955 31.823 0.035 0.000 1.000 480 V HN 0.945 nan 8.190 nan 0.000 0.477 481 E N 4.021 124.241 120.200 0.033 0.000 2.339 481 E HA 0.346 4.696 4.350 0.000 0.000 0.262 481 E C -1.063 175.554 176.600 0.028 0.000 0.934 481 E CA -0.880 55.538 56.400 0.030 0.000 0.802 481 E CB 1.499 31.222 29.700 0.037 0.000 1.275 481 E HN 0.792 nan 8.360 nan 0.000 0.427 482 D N 2.401 122.812 120.400 0.019 0.000 2.336 482 D HA 0.050 4.690 4.640 0.000 0.000 0.249 482 D C 0.851 177.163 176.300 0.019 0.000 1.213 482 D CA -0.024 53.983 54.000 0.011 0.000 0.870 482 D CB 0.788 41.587 40.800 -0.000 0.000 1.076 482 D HN 0.415 nan 8.370 nan 0.000 0.483 483 M N 2.489 122.104 119.600 0.025 0.000 2.394 483 M HA -0.102 4.378 4.480 0.000 0.000 0.264 483 M C 2.141 178.455 176.300 0.024 0.000 1.073 483 M CA 0.455 55.774 55.300 0.032 0.000 1.111 483 M CB -0.535 32.089 32.600 0.039 0.000 1.401 483 M HN 0.508 nan 8.290 nan 0.000 0.448 484 c N 0.679 119.288 118.600 0.015 0.000 2.466 484 c HA -0.097 4.473 4.570 0.000 0.000 0.278 484 c C 2.472 176.567 174.090 0.009 0.000 1.288 484 c CA 0.710 57.045 56.329 0.010 0.000 1.722 484 c CB -0.907 41.604 42.510 0.003 0.000 2.017 484 c HN 0.563 nan 8.230 nan 0.000 0.488 485 E N 0.932 121.137 120.200 0.008 0.000 2.274 485 E HA -0.105 4.245 4.350 0.000 0.000 0.194 485 E C 1.527 178.133 176.600 0.011 0.000 0.996 485 E CA 0.627 57.031 56.400 0.007 0.000 0.840 485 E CB -0.109 29.593 29.700 0.005 0.000 0.772 485 E HN 0.591 nan 8.360 nan 0.000 0.491 486 N N -0.210 118.501 118.700 0.018 0.000 2.250 486 N HA -0.022 4.719 4.740 0.000 0.000 0.181 486 N C 1.069 176.591 175.510 0.021 0.000 1.017 486 N CA 1.278 54.342 53.050 0.024 0.000 0.866 486 N CB 0.585 39.096 38.487 0.040 0.000 0.985 486 N HN 0.259 nan 8.380 nan 0.000 0.429 487 G N -0.976 107.837 108.800 0.021 0.000 2.155 487 G HA2 -0.176 3.784 3.960 0.000 0.000 0.135 487 G HA3 -0.176 3.784 3.960 0.000 0.000 0.135 487 G C -0.698 174.217 174.900 0.025 0.000 1.023 487 G CA -0.187 44.923 45.100 0.017 0.000 0.688 487 G HN 0.120 nan 8.290 nan 0.000 0.499 488 V N 1.496 121.429 119.914 0.032 0.000 2.294 488 V HA 0.655 4.775 4.120 0.000 0.000 0.272 488 V C 0.486 176.598 176.094 0.029 0.000 1.027 488 V CA -0.209 62.114 62.300 0.038 0.000 0.823 488 V CB 1.085 32.939 31.823 0.051 0.000 1.030 488 V HN 1.100 nan 8.190 nan 0.000 0.457 489 V N 1.906 121.834 119.914 0.024 0.000 2.888 489 V HA 0.799 4.919 4.120 0.000 0.000 0.309 489 V C -0.867 175.237 176.094 0.016 0.000 1.114 489 V CA -0.843 61.468 62.300 0.018 0.000 0.940 489 V CB 2.231 34.063 31.823 0.014 0.000 1.021 489 V HN 0.698 nan 8.190 nan 0.000 0.426 490 E N 3.345 123.553 120.200 0.013 0.000 2.312 490 E HA 0.639 4.989 4.350 0.000 0.000 0.267 490 E C -2.958 173.647 176.600 0.008 0.000 0.894 490 E CA -2.157 54.250 56.400 0.011 0.000 0.773 490 E CB 2.768 32.474 29.700 0.010 0.000 1.241 490 E HN 0.574 nan 8.360 nan 0.000 0.432 491 P HA -0.039 nan 4.420 nan 0.000 0.269 491 P C 0.314 177.617 177.300 0.004 0.000 1.209 491 P CA -0.285 62.818 63.100 0.005 0.000 0.776 491 P CB 0.559 32.261 31.700 0.003 0.000 0.876 492 L N 3.330 124.555 121.223 0.004 0.000 2.127 492 L HA -0.131 4.209 4.340 0.000 0.000 0.211 492 L C 2.181 179.053 176.870 0.003 0.000 1.089 492 L CA 1.796 56.639 54.840 0.004 0.000 0.757 492 L CB -0.783 41.277 42.059 0.002 0.000 0.899 492 L HN 0.310 nan 8.230 nan 0.000 0.434 493 R N -1.296 119.205 120.500 0.003 0.000 2.189 493 R HA -0.088 4.252 4.340 0.000 0.000 0.223 493 R C 1.977 178.278 176.300 0.003 0.000 1.092 493 R CA 1.237 57.339 56.100 0.002 0.000 0.989 493 R CB -0.062 30.239 30.300 0.002 0.000 0.876 493 R HN 0.367 nan 8.270 nan 0.000 0.457 494 V N 1.164 121.079 119.914 0.003 0.000 2.358 494 V HA -0.226 3.894 4.120 0.000 0.000 0.246 494 V C 2.164 178.259 176.094 0.001 0.000 1.047 494 V CA 1.647 63.947 62.300 0.002 0.000 1.035 494 V CB -0.264 31.561 31.823 0.002 0.000 0.658 494 V HN 0.243 nan 8.190 nan 0.000 0.452 495 K N 0.442 120.843 120.400 0.002 0.000 2.098 495 K HA -0.031 4.289 4.320 0.000 0.000 0.203 495 K C 2.361 178.965 176.600 0.007 0.000 1.051 495 K CA 1.682 57.970 56.287 0.003 0.000 0.957 495 K CB -1.019 31.484 32.500 0.004 0.000 0.738 495 K HN 0.678 nan 8.250 nan 0.000 0.447 496 T N -0.419 114.140 114.554 0.008 0.000 2.821 496 T HA -0.182 4.168 4.350 0.000 0.000 0.267 496 T C 2.117 176.825 174.700 0.013 0.000 1.046 496 T CA 1.312 63.418 62.100 0.010 0.000 1.139 496 T CB -0.085 68.786 68.868 0.005 0.000 0.871 496 T HN 0.044 nan 8.240 nan 0.000 0.454 497 Q N 1.804 121.610 119.800 0.009 0.000 2.046 497 Q HA 0.200 4.540 4.340 0.000 0.000 0.200 497 Q C 2.490 178.497 176.000 0.010 0.000 0.975 497 Q CA 1.797 57.606 55.803 0.010 0.000 0.836 497 Q CB -0.986 27.756 28.738 0.006 0.000 0.896 497 Q HN 0.636 nan 8.270 nan 0.000 0.428 498 A N 0.220 123.043 122.820 0.005 0.000 1.940 498 A HA -0.165 4.155 4.320 0.000 0.000 0.219 498 A C 2.109 179.693 177.584 0.001 0.000 1.176 498 A CA 1.638 53.673 52.037 -0.002 0.000 0.631 498 A CB -0.729 18.264 19.000 -0.011 0.000 0.814 498 A HN 0.502 nan 8.150 nan 0.000 0.446 499 I N -1.448 119.132 120.570 0.016 0.000 2.333 499 I HA -0.198 3.972 4.170 0.000 0.000 0.246 499 I C 2.736 178.901 176.117 0.079 0.000 1.106 499 I CA 1.484 62.812 61.300 0.045 0.000 1.411 499 I CB -0.245 37.803 38.000 0.079 0.000 1.082 499 I HN 0.355 nan 8.210 nan 0.000 0.420 500 Q N 1.221 121.056 119.800 0.057 0.000 2.050 500 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 500 Q C 2.375 178.406 176.000 0.052 0.000 0.980 500 Q CA 2.608 58.444 55.803 0.055 0.000 0.840 500 Q CB -0.271 28.486 28.738 0.032 0.000 0.898 500 Q HN 0.547 nan 8.270 nan 0.000 0.424 501 S N -0.731 114.990 115.700 0.035 0.000 2.402 501 S HA -0.015 4.455 4.470 0.000 0.000 0.229 501 S C 2.042 176.661 174.600 0.033 0.000 1.021 501 S CA 0.861 59.080 58.200 0.031 0.000 0.974 501 S CB -0.495 62.716 63.200 0.019 0.000 0.800 501 S HN 0.431 nan 8.310 nan 0.000 0.484 502 A N 1.714 124.549 122.820 0.025 0.000 1.968 502 A HA 0.449 4.769 4.320 0.000 0.000 0.217 502 A C 2.449 180.062 177.584 0.048 0.000 1.169 502 A CA 1.390 53.434 52.037 0.011 0.000 0.638 502 A CB -1.209 17.767 19.000 -0.039 0.000 0.812 502 A HN 0.813 nan 8.150 nan 0.000 0.446 503 A N -0.277 122.602 122.820 0.098 0.000 1.930 503 A HA -0.053 4.267 4.320 0.000 0.000 0.215 503 A C 1.896 179.575 177.584 0.159 0.000 1.176 503 A CA 1.378 53.528 52.037 0.188 0.000 0.632 503 A CB -0.346 18.813 19.000 0.264 0.000 0.819 503 A HN 0.583 nan 8.150 nan 0.000 0.445 504 E N 0.237 120.500 120.200 0.104 0.000 2.152 504 E HA -0.112 4.238 4.350 0.000 0.000 0.192 504 E C 2.338 178.985 176.600 0.077 0.000 0.983 504 E CA 1.233 57.684 56.400 0.084 0.000 0.818 504 E CB -0.071 29.664 29.700 0.058 0.000 0.758 504 E HN 0.784 nan 8.360 nan 0.000 0.467 505 S N 0.470 116.211 115.700 0.069 0.000 2.377 505 S HA -0.124 4.346 4.470 0.000 0.000 0.223 505 S C 2.293 176.935 174.600 0.071 0.000 1.030 505 S CA 1.360 59.595 58.200 0.058 0.000 0.970 505 S CB -0.656 62.568 63.200 0.041 0.000 0.830 505 S HN 0.306 nan 8.310 nan 0.000 0.473 506 T N -0.011 114.600 114.554 0.094 0.000 2.995 506 T HA 0.110 4.460 4.350 0.000 0.000 0.269 506 T C 1.526 176.312 174.700 0.144 0.000 1.091 506 T CA 0.951 63.123 62.100 0.119 0.000 1.128 506 T CB -0.519 68.443 68.868 0.157 0.000 0.891 506 T HN 0.522 nan 8.240 nan 0.000 0.492 507 E N 0.476 120.772 120.200 0.161 0.000 2.204 507 E HA -0.017 4.333 4.350 0.000 0.000 0.194 507 E C 2.017 178.663 176.600 0.077 0.000 0.989 507 E CA 1.078 57.559 56.400 0.135 0.000 0.824 507 E CB -0.212 29.574 29.700 0.143 0.000 0.756 507 E HN 0.616 nan 8.360 nan 0.000 0.477 508 M N 0.244 119.886 119.600 0.070 0.000 2.216 508 M HA -0.052 4.429 4.480 0.000 0.000 0.264 508 M C 1.894 178.221 176.300 0.044 0.000 1.080 508 M CA 1.051 56.382 55.300 0.052 0.000 1.153 508 M CB 0.176 32.805 32.600 0.048 0.000 1.356 508 M HN 0.058 nan 8.290 nan 0.000 0.432 509 L N 0.746 121.997 121.223 0.046 0.000 2.042 509 L HA -0.231 4.109 4.340 0.000 0.000 0.210 509 L C 2.378 179.265 176.870 0.028 0.000 1.076 509 L CA 1.291 56.154 54.840 0.038 0.000 0.749 509 L CB -0.759 41.321 42.059 0.036 0.000 0.893 509 L HN 0.395 nan 8.230 nan 0.000 0.432 510 L N -0.731 120.506 121.223 0.023 0.000 2.191 510 L HA -0.191 4.149 4.340 0.000 0.000 0.212 510 L C 2.589 179.459 176.870 -0.001 0.000 1.103 510 L CA 1.034 55.873 54.840 -0.002 0.000 0.769 510 L CB -0.438 41.602 42.059 -0.031 0.000 0.908 510 L HN 0.221 nan 8.230 nan 0.000 0.438 511 R N -0.202 120.308 120.500 0.017 0.000 2.276 511 R HA 0.097 4.437 4.340 0.000 0.000 0.203 511 R C 0.485 176.798 176.300 0.022 0.000 1.017 511 R CA 0.250 56.364 56.100 0.023 0.000 1.010 511 R CB -0.092 30.227 30.300 0.032 0.000 0.900 511 R HN 0.292 nan 8.270 nan 0.000 0.469 512 I N 2.108 122.691 120.570 0.022 0.000 2.441 512 I HA -0.047 4.123 4.170 0.000 0.000 0.287 512 I C 0.894 177.023 176.117 0.020 0.000 1.049 512 I CA 0.170 61.486 61.300 0.027 0.000 1.381 512 I CB 0.981 39.004 38.000 0.039 0.000 1.409 512 I HN 0.115 nan 8.210 nan 0.000 0.523 513 D N 3.454 123.867 120.400 0.021 0.000 2.510 513 D HA 0.071 4.711 4.640 0.000 0.000 0.234 513 D C -0.112 176.206 176.300 0.030 0.000 1.178 513 D CA 0.052 54.060 54.000 0.014 0.000 0.816 513 D CB 0.731 41.529 40.800 -0.004 0.000 1.143 513 D HN 0.424 nan 8.370 nan 0.000 0.526 514 D N 0.453 120.876 120.400 0.039 0.000 2.947 514 D HA 0.346 4.986 4.640 0.000 0.000 0.224 514 D C -1.336 174.995 176.300 0.051 0.000 1.230 514 D CA -0.418 53.607 54.000 0.041 0.000 0.871 514 D CB 2.982 43.794 40.800 0.019 0.000 1.671 514 D HN -0.190 nan 8.370 nan 0.000 0.507 515 V N 3.993 123.946 119.914 0.065 0.000 2.604 515 V HA 0.561 4.681 4.120 0.000 0.000 0.305 515 V C 0.093 176.174 176.094 -0.022 0.000 1.043 515 V CA -0.695 61.642 62.300 0.063 0.000 0.888 515 V CB 2.062 33.991 31.823 0.177 0.000 0.995 515 V HN 0.464 nan 8.190 nan 0.000 0.429 516 I N 3.650 124.202 120.570 -0.029 0.000 2.466 516 I HA 0.642 4.812 4.170 0.000 0.000 0.279 516 I C 0.106 176.186 176.117 -0.061 0.000 1.033 516 I CA -0.390 60.870 61.300 -0.067 0.000 1.123 516 I CB 1.556 39.529 38.000 -0.045 0.000 1.237 516 I HN 0.699 nan 8.210 nan 0.000 0.460 517 A N 5.054 127.817 122.820 -0.096 0.000 2.271 517 A HA 0.896 5.216 4.320 0.000 0.000 0.317 517 A C 0.033 177.576 177.584 -0.069 0.000 1.245 517 A CA -0.335 51.661 52.037 -0.069 0.000 0.857 517 A CB 0.974 19.938 19.000 -0.060 0.000 1.175 517 A HN 0.716 nan 8.150 nan 0.000 0.512 518 A N 1.758 124.550 122.820 -0.045 0.000 2.248 518 A HA 0.780 5.100 4.320 0.000 0.000 0.316 518 A C 0.478 178.044 177.584 -0.031 0.000 1.101 518 A CA 0.179 52.193 52.037 -0.038 0.000 0.875 518 A CB 0.125 19.108 19.000 -0.029 0.000 1.207 518 A HN 1.235 nan 8.150 nan 0.000 0.504 519 E N 0.000 120.185 120.200 -0.025 0.000 2.725 519 E HA 0.000 4.350 4.350 0.000 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440