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 1ted_1_C DATA FIRST_RESID 22 DATA SEQUENCE AQLPPAPPTT VAVIEGLATG TPRRVVNQSD AADRVAELXX XXGQRERIPR DATA SEQUENCE VYQKSRITTR RMAVDPLDAK FDVFRREPAT IRDRMHLFYE HAVPLAVDVS DATA SEQUENCE KRALAGLPYR AAEIGLLVLA TSTGFIAPGV DVAIVKELGL SPSISRVVVN DATA SEQUENCE FMGCAAAMNA LGTATNYVRA HPAMKALVVC IELCSVNAVF ADDINDVVIH DATA SEQUENCE SLFGDGCAAL VIGASQVQEK LEPGKVVVRS SFSQLLDNTE DGIVLGVNHN DATA SEQUENCE GITCELSENL PGYIFSGVAP VVTEMLWDNG LQISDIDLWA IHPGGPKIIE DATA SEQUENCE QSVRSLGISA ELAAQSWDVL ARFGNMLSVS LIFVLETMVQ QAESAKAIST DATA SEQUENCE GVAFAFGPGV TVEGMLFDII RR 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.582 177.584 -0.003 0.000 1.274 22 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 22 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 23 Q N 1.064 120.862 119.800 -0.003 0.000 2.211 23 Q HA 0.339 4.678 4.340 -0.001 0.000 0.231 23 Q C 0.154 176.152 176.000 -0.004 0.000 0.865 23 Q CA -0.179 55.622 55.803 -0.003 0.000 0.997 23 Q CB 0.269 29.005 28.738 -0.003 0.000 1.101 23 Q HN 0.798 nan 8.270 nan 0.000 0.468 24 L N 1.398 122.618 121.223 -0.004 0.000 2.489 24 L HA 0.049 4.388 4.340 -0.001 0.000 0.285 24 L C -1.793 175.073 176.870 -0.006 0.000 1.259 24 L CA -1.320 53.518 54.840 -0.004 0.000 0.828 24 L CB -0.333 41.724 42.059 -0.005 0.000 1.094 24 L HN 0.034 nan 8.230 nan 0.000 0.524 25 P HA 0.248 nan 4.420 nan 0.000 0.275 25 P C -2.376 174.918 177.300 -0.010 0.000 1.228 25 P CA -0.893 62.203 63.100 -0.007 0.000 0.786 25 P CB -0.006 31.690 31.700 -0.006 0.000 0.927 26 P HA 0.190 nan 4.420 nan 0.000 0.271 26 P C -0.648 176.641 177.300 -0.019 0.000 1.233 26 P CA -0.227 62.863 63.100 -0.017 0.000 0.789 26 P CB 0.270 31.958 31.700 -0.021 0.000 0.951 27 A N 2.291 125.099 122.820 -0.020 0.000 2.462 27 A HA 0.439 4.758 4.320 -0.001 0.000 0.243 27 A C -1.903 175.664 177.584 -0.027 0.000 1.076 27 A CA -0.672 51.352 52.037 -0.021 0.000 0.773 27 A CB -1.290 17.698 19.000 -0.021 0.000 1.010 27 A HN 0.428 nan 8.150 nan 0.000 0.493 28 P HA 0.442 nan 4.420 nan 0.000 0.281 28 P C -2.435 174.843 177.300 -0.036 0.000 1.249 28 P CA -1.262 61.820 63.100 -0.030 0.000 0.810 28 P CB -0.168 31.519 31.700 -0.022 0.000 1.008 29 P HA 0.046 nan 4.420 nan 0.000 0.269 29 P C 0.051 177.328 177.300 -0.038 0.000 1.217 29 P CA 0.146 63.214 63.100 -0.053 0.000 0.783 29 P CB 0.515 32.172 31.700 -0.072 0.000 0.898 30 T N -1.424 113.109 114.554 -0.035 0.000 3.040 30 T HA 0.091 4.440 4.350 -0.001 0.000 0.266 30 T C 0.649 175.336 174.700 -0.022 0.000 1.005 30 T CA 0.186 62.270 62.100 -0.026 0.000 0.906 30 T CB -0.204 68.650 68.868 -0.023 0.000 1.082 30 T HN 0.701 nan 8.240 nan 0.000 0.531 31 T N 0.278 114.816 114.554 -0.027 0.000 2.766 31 T HA 0.564 4.913 4.350 -0.001 0.000 0.295 31 T C 0.072 174.763 174.700 -0.014 0.000 1.024 31 T CA -0.498 61.589 62.100 -0.021 0.000 1.018 31 T CB 1.041 69.892 68.868 -0.029 0.000 1.002 31 T HN -0.077 nan 8.240 nan 0.000 0.532 32 V N 0.871 120.781 119.914 -0.006 0.000 2.680 32 V HA 0.679 4.799 4.120 -0.001 0.000 0.309 32 V C 0.527 176.626 176.094 0.007 0.000 1.052 32 V CA -1.187 61.115 62.300 0.003 0.000 0.908 32 V CB 1.532 33.360 31.823 0.009 0.000 1.001 32 V HN 1.331 nan 8.190 nan 0.000 0.431 33 A N 4.070 126.898 122.820 0.013 0.000 2.388 33 A HA 0.718 5.037 4.320 -0.001 0.000 0.257 33 A C -0.548 177.049 177.584 0.023 0.000 1.095 33 A CA -0.184 51.862 52.037 0.017 0.000 0.791 33 A CB 0.611 19.623 19.000 0.020 0.000 1.029 33 A HN 0.773 nan 8.150 nan 0.000 0.489 34 V N 3.194 123.121 119.914 0.023 0.000 2.760 34 V HA 0.277 4.397 4.120 -0.001 0.000 0.309 34 V C -0.330 175.779 176.094 0.024 0.000 1.077 34 V CA -0.294 62.023 62.300 0.027 0.000 0.910 34 V CB 1.923 33.766 31.823 0.034 0.000 1.008 34 V HN 0.755 nan 8.190 nan 0.000 0.424 35 I N 3.510 124.087 120.570 0.011 0.000 2.311 35 I HA 0.223 4.392 4.170 -0.001 0.000 0.297 35 I C 1.090 177.216 176.117 0.016 0.000 1.131 35 I CA 0.194 61.494 61.300 0.000 0.000 1.289 35 I CB 0.550 38.527 38.000 -0.038 0.000 1.446 35 I HN 0.773 nan 8.210 nan 0.000 0.524 36 E N 3.965 124.192 120.200 0.046 0.000 2.318 36 E HA 0.114 4.464 4.350 -0.001 0.000 0.193 36 E C 0.960 177.586 176.600 0.043 0.000 0.998 36 E CA -0.032 56.408 56.400 0.067 0.000 0.859 36 E CB 0.445 30.236 29.700 0.152 0.000 0.812 36 E HN 0.756 nan 8.360 nan 0.000 0.492 37 G N 0.863 109.683 108.800 0.032 0.000 2.682 37 G HA2 0.611 4.570 3.960 -0.001 0.000 0.300 37 G HA3 0.611 4.570 3.960 -0.001 0.000 0.300 37 G C -1.772 173.118 174.900 -0.018 0.000 1.391 37 G CA -0.524 44.581 45.100 0.008 0.000 0.990 37 G HN 0.044 nan 8.290 nan 0.000 0.501 38 L N 1.177 122.376 121.223 -0.040 0.000 2.526 38 L HA 0.828 5.168 4.340 -0.001 0.000 0.263 38 L C -0.872 175.947 176.870 -0.085 0.000 0.943 38 L CA -0.739 54.061 54.840 -0.066 0.000 0.859 38 L CB 1.978 43.988 42.059 -0.081 0.000 1.313 38 L HN 0.971 nan 8.230 nan 0.000 0.406 39 A N 2.085 124.845 122.820 -0.100 0.000 2.520 39 A HA 0.820 5.139 4.320 -0.001 0.000 0.298 39 A C -0.714 176.768 177.584 -0.169 0.000 1.051 39 A CA -0.154 51.809 52.037 -0.124 0.000 0.690 39 A CB 2.023 20.972 19.000 -0.084 0.000 1.281 39 A HN 0.658 nan 8.150 nan 0.000 0.402 40 T N -0.849 113.546 114.554 -0.264 0.000 2.924 40 T HA 0.933 5.283 4.350 -0.001 0.000 0.291 40 T C 0.082 174.639 174.700 -0.240 0.000 1.045 40 T CA -0.276 61.590 62.100 -0.389 0.000 1.015 40 T CB 1.977 70.210 68.868 -1.057 0.000 1.103 40 T HN 2.071 nan 8.240 nan 0.000 0.496 41 G N -0.713 108.037 108.800 -0.084 0.000 2.623 41 G HA2 0.639 4.598 3.960 -0.001 0.000 0.290 41 G HA3 0.639 4.598 3.960 -0.001 0.000 0.290 41 G C -1.319 173.656 174.900 0.125 0.000 1.437 41 G CA -0.511 44.595 45.100 0.011 0.000 0.798 41 G HN 0.953 nan 8.290 nan 0.000 0.488 42 T N 0.225 114.840 114.554 0.101 0.000 2.830 42 T HA 0.698 5.047 4.350 -0.001 0.000 0.322 42 T C -2.817 171.931 174.700 0.080 0.000 1.501 42 T CA -0.739 61.425 62.100 0.108 0.000 1.036 42 T CB 1.962 70.938 68.868 0.181 0.000 1.379 42 T HN 0.474 nan 8.240 nan 0.000 0.493 43 P HA 0.279 nan 4.420 nan 0.000 0.270 43 P C 0.835 178.176 177.300 0.069 0.000 1.223 43 P CA -0.033 63.097 63.100 0.049 0.000 0.785 43 P CB 0.362 32.073 31.700 0.018 0.000 0.923 44 R N 2.191 122.728 120.500 0.061 0.000 2.115 44 R HA -0.096 4.243 4.340 -0.001 0.000 0.226 44 R C 1.601 177.938 176.300 0.063 0.000 1.100 44 R CA 1.370 57.509 56.100 0.064 0.000 0.980 44 R CB -1.090 29.241 30.300 0.053 0.000 0.875 44 R HN 0.573 nan 8.270 nan 0.000 0.445 45 R N 0.891 121.424 120.500 0.055 0.000 2.458 45 R HA 0.205 4.544 4.340 -0.001 0.000 0.303 45 R C -1.047 175.287 176.300 0.058 0.000 1.013 45 R CA 0.096 56.226 56.100 0.051 0.000 1.026 45 R CB 0.537 30.863 30.300 0.043 0.000 0.948 45 R HN 0.210 nan 8.270 nan 0.000 0.417 46 V N 6.189 126.135 119.914 0.053 0.000 2.370 46 V HA 0.232 4.352 4.120 -0.001 0.000 0.279 46 V C -0.275 175.847 176.094 0.046 0.000 1.029 46 V CA -0.660 61.669 62.300 0.050 0.000 0.870 46 V CB 1.680 33.525 31.823 0.037 0.000 0.984 46 V HN 0.521 nan 8.190 nan 0.000 0.451 47 V N 5.543 125.488 119.914 0.053 0.000 2.328 47 V HA 0.300 4.419 4.120 -0.001 0.000 0.278 47 V C 0.446 176.575 176.094 0.059 0.000 1.021 47 V CA -0.669 61.668 62.300 0.061 0.000 0.838 47 V CB 1.381 33.254 31.823 0.083 0.000 0.999 47 V HN 0.909 nan 8.190 nan 0.000 0.447 48 N N 4.324 123.053 118.700 0.049 0.000 2.497 48 N HA 0.041 4.780 4.740 -0.001 0.000 0.268 48 N C 0.973 176.525 175.510 0.070 0.000 1.171 48 N CA -0.250 52.827 53.050 0.044 0.000 0.948 48 N CB 1.373 39.877 38.487 0.029 0.000 1.069 48 N HN 0.586 nan 8.380 nan 0.000 0.460 49 Q N 2.141 121.994 119.800 0.088 0.000 2.096 49 Q HA -0.095 4.244 4.340 -0.001 0.000 0.204 49 Q C 1.563 177.639 176.000 0.127 0.000 0.982 49 Q CA 1.448 57.343 55.803 0.153 0.000 0.850 49 Q CB -0.234 28.596 28.738 0.155 0.000 0.901 49 Q HN 0.646 nan 8.270 nan 0.000 0.422 50 S N 1.236 116.977 115.700 0.068 0.000 2.368 50 S HA -0.123 4.346 4.470 -0.001 0.000 0.224 50 S C 1.415 176.007 174.600 -0.013 0.000 1.029 50 S CA 1.227 59.444 58.200 0.028 0.000 0.988 50 S CB -0.141 63.071 63.200 0.020 0.000 0.838 50 S HN 0.347 nan 8.310 nan 0.000 0.462 51 D N 1.821 122.221 120.400 0.000 0.000 2.117 51 D HA 0.035 4.674 4.640 -0.001 0.000 0.198 51 D C 2.181 178.457 176.300 -0.040 0.000 0.982 51 D CA 1.187 55.177 54.000 -0.016 0.000 0.828 51 D CB -0.524 40.278 40.800 0.004 0.000 0.967 51 D HN 0.368 nan 8.370 nan 0.000 0.464 52 A N 1.070 123.885 122.820 -0.008 0.000 1.940 52 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 52 A C 2.300 179.735 177.584 -0.249 0.000 1.176 52 A CA 2.326 54.356 52.037 -0.012 0.000 0.631 52 A CB -0.671 18.426 19.000 0.162 0.000 0.814 52 A HN 0.245 nan 8.150 nan 0.000 0.446 53 A N -0.144 122.433 122.820 -0.405 0.000 1.898 53 A HA -0.142 4.177 4.320 -0.001 0.000 0.216 53 A C 1.791 179.156 177.584 -0.364 0.000 1.181 53 A CA 1.748 53.346 52.037 -0.731 0.000 0.620 53 A CB -0.537 18.174 19.000 -0.481 0.000 0.819 53 A HN 0.452 nan 8.150 nan 0.000 0.442 54 D N -0.283 119.996 120.400 -0.201 0.000 2.104 54 D HA -0.138 4.501 4.640 -0.001 0.000 0.194 54 D C 2.196 178.415 176.300 -0.134 0.000 0.994 54 D CA 1.322 55.243 54.000 -0.132 0.000 0.830 54 D CB -0.306 40.445 40.800 -0.081 0.000 0.959 54 D HN 0.445 nan 8.370 nan 0.000 0.452 55 R N 0.110 120.528 120.500 -0.135 0.000 2.092 55 R HA -0.012 4.327 4.340 -0.001 0.000 0.231 55 R C 2.392 178.584 176.300 -0.180 0.000 1.119 55 R CA 0.483 56.506 56.100 -0.128 0.000 0.970 55 R CB -0.216 30.028 30.300 -0.093 0.000 0.864 55 R HN 0.055 nan 8.270 nan 0.000 0.440 56 V N 0.775 120.558 119.914 -0.219 0.000 2.591 56 V HA -0.099 4.020 4.120 -0.001 0.000 0.249 56 V C 2.167 178.152 176.094 -0.181 0.000 1.053 56 V CA 1.590 63.748 62.300 -0.236 0.000 1.068 56 V CB -0.324 31.413 31.823 -0.143 0.000 0.689 56 V HN 0.371 nan 8.190 nan 0.000 0.462 57 A N -0.352 122.360 122.820 -0.180 0.000 2.178 57 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 57 A C 2.080 179.607 177.584 -0.094 0.000 1.157 57 A CA 1.506 53.470 52.037 -0.122 0.000 0.689 57 A CB -0.324 18.605 19.000 -0.120 0.000 0.787 57 A HN 0.657 nan 8.150 nan 0.000 0.465 58 E N -0.572 119.563 120.200 -0.109 0.000 2.276 58 E HA 0.153 4.502 4.350 -0.001 0.000 0.193 58 E C 0.309 176.856 176.600 -0.088 0.000 0.983 58 E CA -0.371 55.977 56.400 -0.087 0.000 0.861 58 E CB -0.053 29.597 29.700 -0.084 0.000 0.817 58 E HN 0.587 nan 8.360 nan 0.000 0.485 65 Q N 0.212 120.008 119.800 -0.006 0.000 2.431 65 Q HA 0.701 5.041 4.340 -0.001 0.000 0.249 65 Q C 0.424 176.421 176.000 -0.005 0.000 1.025 65 Q CA 0.365 56.165 55.803 -0.005 0.000 0.835 65 Q CB 0.599 29.336 28.738 -0.002 0.000 1.207 65 Q HN 1.525 nan 8.270 nan 0.000 0.490 66 R N 1.108 121.602 120.500 -0.009 0.000 2.515 66 R HA 0.158 4.498 4.340 -0.001 0.000 0.294 66 R C 0.895 177.191 176.300 -0.006 0.000 1.021 66 R CA 0.464 56.557 56.100 -0.011 0.000 1.081 66 R CB -0.303 29.983 30.300 -0.024 0.000 1.263 66 R HN 0.767 nan 8.270 nan 0.000 0.557 67 E N 0.864 121.063 120.200 -0.001 0.000 2.265 67 E HA -0.151 4.198 4.350 -0.001 0.000 0.196 67 E C 1.485 178.096 176.600 0.018 0.000 0.996 67 E CA 0.804 57.207 56.400 0.005 0.000 0.832 67 E CB -0.056 29.647 29.700 0.005 0.000 0.756 67 E HN 0.635 nan 8.360 nan 0.000 0.491 68 R N 0.237 120.751 120.500 0.022 0.000 2.083 68 R HA -0.136 4.203 4.340 -0.001 0.000 0.237 68 R C 2.318 178.662 176.300 0.073 0.000 1.137 68 R CA 1.134 57.258 56.100 0.040 0.000 0.951 68 R CB -0.398 29.924 30.300 0.035 0.000 0.851 68 R HN 0.091 nan 8.270 nan 0.000 0.434 69 I N 0.707 121.317 120.570 0.067 0.000 2.099 69 I HA -0.167 4.002 4.170 -0.001 0.000 0.239 69 I C -0.945 175.250 176.117 0.129 0.000 1.066 69 I CA 1.437 62.802 61.300 0.108 0.000 1.324 69 I CB -1.145 36.844 38.000 -0.019 0.000 1.037 69 I HN 0.027 nan 8.210 nan 0.000 0.401 70 P HA -0.139 nan 4.420 nan 0.000 0.219 70 P C 1.708 179.068 177.300 0.100 0.000 1.146 70 P CA 1.169 64.298 63.100 0.048 0.000 0.808 70 P CB -0.006 31.699 31.700 0.009 0.000 0.779 71 R N -0.382 120.172 120.500 0.089 0.000 2.061 71 R HA -0.062 4.277 4.340 -0.001 0.000 0.230 71 R C 2.226 178.584 176.300 0.096 0.000 1.140 71 R CA 1.102 57.247 56.100 0.076 0.000 0.940 71 R CB -1.620 28.712 30.300 0.053 0.000 0.839 71 R HN 0.121 nan 8.270 nan 0.000 0.429 72 V N 0.360 120.348 119.914 0.124 0.000 2.427 72 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 72 V C 1.757 177.891 176.094 0.068 0.000 1.051 72 V CA 1.598 63.948 62.300 0.084 0.000 1.048 72 V CB -0.396 31.466 31.823 0.065 0.000 0.666 72 V HN 0.244 nan 8.190 nan 0.000 0.456 73 Y N 1.237 121.555 120.300 0.031 0.000 2.263 73 Y HA -0.171 4.378 4.550 -0.002 0.000 0.292 73 Y C 2.684 178.604 175.900 0.034 0.000 1.130 73 Y CA 1.851 59.973 58.100 0.037 0.000 1.179 73 Y CB -0.458 38.025 38.460 0.039 0.000 0.998 73 Y HN 0.519 nan 8.280 nan 0.000 0.532 74 Q N -0.088 119.815 119.800 0.171 0.000 2.500 74 Q HA -0.024 4.316 4.340 -0.001 0.000 0.213 74 Q C 1.576 177.614 176.000 0.064 0.000 0.974 74 Q CA 1.408 57.271 55.803 0.100 0.000 0.918 74 Q CB -0.357 28.425 28.738 0.072 0.000 0.980 74 Q HN 0.410 nan 8.270 nan 0.000 0.505 75 K N 1.033 121.467 120.400 0.056 0.000 2.358 75 K HA 0.155 4.474 4.320 -0.001 0.000 0.200 75 K C 1.736 178.362 176.600 0.043 0.000 1.030 75 K CA 0.546 56.858 56.287 0.040 0.000 1.097 75 K CB 0.192 32.710 32.500 0.031 0.000 0.862 75 K HN 0.465 nan 8.250 nan 0.000 0.534 76 S N 0.506 116.222 115.700 0.027 0.000 2.428 76 S HA -0.092 4.377 4.470 -0.001 0.000 0.230 76 S C 1.094 175.744 174.600 0.084 0.000 1.014 76 S CA 0.557 58.769 58.200 0.020 0.000 0.957 76 S CB -0.301 62.868 63.200 -0.052 0.000 0.784 76 S HN 0.573 nan 8.310 nan 0.000 0.499 77 R N 0.180 120.735 120.500 0.091 0.000 3.651 77 R HA -0.100 4.239 4.340 -0.001 0.000 0.292 77 R C -0.914 175.459 176.300 0.121 0.000 1.161 77 R CA 0.946 57.119 56.100 0.121 0.000 0.787 77 R CB -2.593 27.847 30.300 0.233 0.000 1.249 77 R HN 0.543 nan 8.270 nan 0.000 0.476 78 I N -0.702 119.917 120.570 0.082 0.000 2.474 78 I HA 0.194 4.364 4.170 -0.001 0.000 0.294 78 I C 1.296 177.446 176.117 0.055 0.000 1.005 78 I CA -0.520 60.820 61.300 0.066 0.000 1.113 78 I CB 2.145 40.178 38.000 0.055 0.000 1.289 78 I HN -0.072 nan 8.210 nan 0.000 0.436 79 T N 1.689 116.260 114.554 0.028 0.000 3.038 79 T HA 0.103 4.452 4.350 -0.001 0.000 0.244 79 T C 0.486 175.191 174.700 0.008 0.000 1.016 79 T CA 0.494 62.603 62.100 0.016 0.000 1.098 79 T CB 0.375 69.239 68.868 -0.007 0.000 0.954 79 T HN 0.802 nan 8.240 nan 0.000 0.469 80 T N 0.112 114.653 114.554 -0.023 0.000 2.843 80 T HA 0.782 5.131 4.350 -0.001 0.000 0.302 80 T C -1.391 173.297 174.700 -0.019 0.000 1.232 80 T CA -1.085 61.000 62.100 -0.025 0.000 1.009 80 T CB 2.808 71.632 68.868 -0.073 0.000 1.254 80 T HN 0.050 nan 8.240 nan 0.000 0.504 81 R N 0.007 120.523 120.500 0.027 0.000 2.707 81 R HA 0.640 4.979 4.340 -0.001 0.000 0.272 81 R C -1.055 175.299 176.300 0.090 0.000 1.011 81 R CA -1.153 54.990 56.100 0.072 0.000 0.893 81 R CB 1.890 32.240 30.300 0.083 0.000 1.233 81 R HN 0.468 nan 8.270 nan 0.000 0.464 82 R N 1.640 122.216 120.500 0.126 0.000 2.664 82 R HA 0.582 4.921 4.340 -0.001 0.000 0.286 82 R C -0.544 175.793 176.300 0.062 0.000 0.967 82 R CA -0.554 55.612 56.100 0.110 0.000 0.933 82 R CB 1.556 31.956 30.300 0.165 0.000 1.146 82 R HN 0.581 nan 8.270 nan 0.000 0.468 83 M N 0.775 120.395 119.600 0.034 0.000 2.277 83 M HA 0.306 4.785 4.480 -0.001 0.000 0.282 83 M C 0.544 176.808 176.300 -0.060 0.000 1.074 83 M CA -0.562 54.731 55.300 -0.011 0.000 0.954 83 M CB 2.458 35.058 32.600 -0.001 0.000 1.672 83 M HN 0.744 nan 8.290 nan 0.000 0.471 84 A N 2.530 125.271 122.820 -0.132 0.000 2.019 84 A HA 0.169 4.488 4.320 -0.001 0.000 0.219 84 A C 0.627 177.962 177.584 -0.416 0.000 1.164 84 A CA 1.129 53.002 52.037 -0.272 0.000 0.644 84 A CB 0.201 18.980 19.000 -0.368 0.000 0.805 84 A HN 0.526 nan 8.150 nan 0.000 0.449 85 V N 0.319 120.048 119.914 -0.309 0.000 2.789 85 V HA 0.296 4.415 4.120 -0.001 0.000 0.311 85 V C -1.450 174.568 176.094 -0.126 0.000 1.073 85 V CA -0.885 61.238 62.300 -0.295 0.000 0.921 85 V CB 2.017 33.512 31.823 -0.547 0.000 1.009 85 V HN 0.339 nan 8.190 nan 0.000 0.426 86 D N 6.738 127.138 120.400 -0.000 0.000 2.411 86 D HA 0.279 4.918 4.640 -0.001 0.000 0.225 86 D C -1.287 175.091 176.300 0.131 0.000 1.156 86 D CA -1.876 52.176 54.000 0.087 0.000 0.874 86 D CB 1.929 42.808 40.800 0.132 0.000 1.034 86 D HN 0.264 nan 8.370 nan 0.000 0.502 87 P HA -0.117 nan 4.420 nan 0.000 0.218 87 P C 1.039 178.520 177.300 0.301 0.000 1.148 87 P CA 0.657 63.901 63.100 0.240 0.000 0.822 87 P CB 0.453 32.386 31.700 0.388 0.000 0.784 88 L N -0.170 121.171 121.223 0.197 0.000 2.928 88 L HA 0.256 4.595 4.340 -0.001 0.000 0.236 88 L C 0.854 177.787 176.870 0.105 0.000 1.290 88 L CA -0.365 54.525 54.840 0.084 0.000 1.099 88 L CB -0.552 41.482 42.059 -0.041 0.000 1.437 88 L HN -0.046 nan 8.230 nan 0.000 0.493 89 D N 0.360 120.873 120.400 0.187 0.000 2.329 89 D HA 0.186 4.825 4.640 -0.001 0.000 0.246 89 D C 0.987 177.359 176.300 0.121 0.000 1.111 89 D CA 0.147 54.243 54.000 0.161 0.000 0.941 89 D CB 2.219 43.168 40.800 0.248 0.000 1.169 89 D HN 0.151 nan 8.370 nan 0.000 0.441 90 A N 3.418 126.275 122.820 0.062 0.000 2.070 90 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 90 A C 1.900 179.493 177.584 0.014 0.000 1.159 90 A CA 1.749 53.807 52.037 0.034 0.000 0.656 90 A CB -0.361 18.647 19.000 0.013 0.000 0.800 90 A HN 0.725 nan 8.150 nan 0.000 0.453 91 K N -2.038 118.342 120.400 -0.034 0.000 2.067 91 K HA 0.054 4.373 4.320 -0.001 0.000 0.203 91 K C 1.455 177.950 176.600 -0.175 0.000 1.048 91 K CA 1.301 57.482 56.287 -0.177 0.000 0.954 91 K CB -0.444 31.832 32.500 -0.372 0.000 0.737 91 K HN 0.256 nan 8.250 nan 0.000 0.444 92 F N 2.688 122.691 119.950 0.088 0.000 2.335 92 F HA -0.008 4.518 4.527 -0.001 0.000 0.296 92 F C 2.154 178.096 175.800 0.237 0.000 1.091 92 F CA 0.676 58.781 58.000 0.175 0.000 1.399 92 F CB -0.394 38.700 39.000 0.156 0.000 1.067 92 F HN 0.198 nan 8.300 nan 0.000 0.520 93 D N 0.509 121.100 120.400 0.319 0.000 2.239 93 D HA -0.162 4.477 4.640 -0.001 0.000 0.202 93 D C 2.037 178.450 176.300 0.188 0.000 0.993 93 D CA 1.282 55.411 54.000 0.215 0.000 0.874 93 D CB 0.266 41.133 40.800 0.112 0.000 0.922 93 D HN 0.191 nan 8.370 nan 0.000 0.464 94 V N 0.216 120.245 119.914 0.191 0.000 2.599 94 V HA -0.102 4.017 4.120 -0.001 0.000 0.245 94 V C 2.107 178.327 176.094 0.211 0.000 1.046 94 V CA 0.904 63.298 62.300 0.156 0.000 1.065 94 V CB -0.616 31.276 31.823 0.115 0.000 0.703 94 V HN 0.182 nan 8.190 nan 0.000 0.464 95 F N 2.787 122.814 119.950 0.128 0.000 2.171 95 F HA -0.193 4.333 4.527 -0.001 0.000 0.300 95 F C 2.580 178.487 175.800 0.178 0.000 1.090 95 F CA 1.973 60.069 58.000 0.159 0.000 1.293 95 F CB -0.232 38.901 39.000 0.221 0.000 1.013 95 F HN 0.125 nan 8.300 nan 0.000 0.486 96 R N 0.513 121.178 120.500 0.275 0.000 2.237 96 R HA -0.072 4.267 4.340 -0.001 0.000 0.219 96 R C 1.791 178.119 176.300 0.047 0.000 1.080 96 R CA 1.390 57.578 56.100 0.148 0.000 0.995 96 R CB -0.637 29.857 30.300 0.322 0.000 0.875 96 R HN 0.304 nan 8.270 nan 0.000 0.462 97 R N 0.717 121.249 120.500 0.053 0.000 2.223 97 R HA 0.111 4.450 4.340 -0.001 0.000 0.198 97 R C 0.180 176.486 176.300 0.009 0.000 0.984 97 R CA 0.299 56.424 56.100 0.042 0.000 1.018 97 R CB 0.172 30.507 30.300 0.058 0.000 0.945 97 R HN 0.383 nan 8.270 nan 0.000 0.479 98 E N 2.156 122.333 120.200 -0.038 0.000 2.374 98 E HA 0.129 4.478 4.350 -0.001 0.000 0.260 98 E C -2.181 174.408 176.600 -0.019 0.000 1.101 98 E CA -1.710 54.670 56.400 -0.033 0.000 0.907 98 E CB 0.426 30.096 29.700 -0.050 0.000 1.014 98 E HN 0.004 nan 8.360 nan 0.000 0.427 99 P HA 0.205 nan 4.420 nan 0.000 0.285 99 P C -0.888 176.506 177.300 0.157 0.000 1.285 99 P CA -0.288 62.927 63.100 0.191 0.000 0.854 99 P CB 1.091 32.816 31.700 0.041 0.000 1.180 100 A N 0.153 123.169 122.820 0.327 0.000 2.791 100 A HA -0.134 4.185 4.320 -0.001 0.000 0.292 100 A C 0.885 178.512 177.584 0.073 0.000 1.487 100 A CA 1.412 53.542 52.037 0.156 0.000 0.760 100 A CB -2.949 16.097 19.000 0.077 0.000 1.031 100 A HN 0.722 nan 8.150 nan 0.000 0.503 101 T N -2.902 111.655 114.554 0.006 0.000 3.069 101 T HA 0.342 4.691 4.350 -0.001 0.000 0.252 101 T C 1.485 176.219 174.700 0.057 0.000 1.053 101 T CA 0.671 62.754 62.100 -0.029 0.000 0.964 101 T CB -0.477 68.162 68.868 -0.382 0.000 1.005 101 T HN 0.713 nan 8.240 nan 0.000 0.532 102 I N 1.870 122.457 120.570 0.028 0.000 2.113 102 I HA -0.158 4.011 4.170 -0.001 0.000 0.242 102 I C 2.608 178.749 176.117 0.041 0.000 1.057 102 I CA 1.345 62.657 61.300 0.019 0.000 1.314 102 I CB -1.187 36.815 38.000 0.002 0.000 1.022 102 I HN 0.149 nan 8.210 nan 0.000 0.408 103 R N 1.271 121.801 120.500 0.050 0.000 2.096 103 R HA -0.187 4.153 4.340 -0.001 0.000 0.240 103 R C 1.901 178.248 176.300 0.077 0.000 1.139 103 R CA 1.949 58.056 56.100 0.011 0.000 0.952 103 R CB -0.876 29.457 30.300 0.055 0.000 0.854 103 R HN 0.502 nan 8.270 nan 0.000 0.436 104 D N -0.339 120.206 120.400 0.242 0.000 2.117 104 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 104 D C 2.004 178.509 176.300 0.341 0.000 0.987 104 D CA 1.240 55.462 54.000 0.370 0.000 0.829 104 D CB -0.162 40.934 40.800 0.493 0.000 0.961 104 D HN 0.275 nan 8.370 nan 0.000 0.460 105 R N -0.068 120.624 120.500 0.320 0.000 2.096 105 R HA -0.051 4.288 4.340 -0.001 0.000 0.235 105 R C 2.329 178.731 176.300 0.169 0.000 1.127 105 R CA 0.934 57.185 56.100 0.253 0.000 0.968 105 R CB -0.067 30.338 30.300 0.175 0.000 0.861 105 R HN 0.174 nan 8.270 nan 0.000 0.440 106 M N -0.410 119.235 119.600 0.075 0.000 2.156 106 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 106 M C 1.939 178.335 176.300 0.161 0.000 1.067 106 M CA 1.635 56.954 55.300 0.032 0.000 1.131 106 M CB -0.970 31.563 32.600 -0.111 0.000 1.368 106 M HN 0.172 nan 8.290 nan 0.000 0.416 107 H N 0.301 119.486 119.070 0.192 0.000 2.387 107 H HA 0.016 4.571 4.556 -0.001 0.000 0.299 107 H C 2.346 177.820 175.328 0.243 0.000 1.090 107 H CA 1.194 57.358 56.048 0.194 0.000 1.332 107 H CB -0.431 29.410 29.762 0.131 0.000 1.386 107 H HN 0.312 nan 8.280 nan 0.000 0.516 108 L N -0.244 121.190 121.223 0.351 0.000 2.012 108 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 108 L C 2.521 179.594 176.870 0.337 0.000 1.073 108 L CA 1.235 56.262 54.840 0.313 0.000 0.748 108 L CB -0.475 41.734 42.059 0.251 0.000 0.891 108 L HN 0.143 nan 8.230 nan 0.000 0.431 109 F N -0.478 119.571 119.950 0.165 0.000 2.095 109 F HA -0.348 4.178 4.527 -0.001 0.000 0.298 109 F C 2.482 178.376 175.800 0.157 0.000 1.104 109 F CA 1.815 59.889 58.000 0.122 0.000 1.232 109 F CB -0.531 38.499 39.000 0.049 0.000 0.987 109 F HN 0.036 nan 8.300 nan 0.000 0.475 110 Y N 1.144 121.538 120.300 0.157 0.000 2.145 110 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 110 Y C 2.622 178.487 175.900 -0.060 0.000 1.145 110 Y CA 2.226 60.345 58.100 0.031 0.000 1.148 110 Y CB -0.782 37.777 38.460 0.165 0.000 0.981 110 Y HN 0.315 nan 8.280 nan 0.000 0.507 111 E N -1.072 119.186 120.200 0.095 0.000 2.070 111 E HA -0.289 4.060 4.350 -0.001 0.000 0.197 111 E C 1.965 178.375 176.600 -0.317 0.000 1.004 111 E CA 1.818 58.160 56.400 -0.097 0.000 0.805 111 E CB -0.262 29.394 29.700 -0.073 0.000 0.744 111 E HN 0.640 nan 8.360 nan 0.000 0.451 112 H N -1.124 117.862 119.070 -0.140 0.000 2.431 112 H HA 0.108 4.663 4.556 -0.001 0.000 0.295 112 H C 2.012 177.175 175.328 -0.275 0.000 1.038 112 H CA 0.914 56.861 56.048 -0.168 0.000 1.360 112 H CB 0.034 29.725 29.762 -0.119 0.000 1.433 112 H HN 0.265 nan 8.280 nan 0.000 0.536 113 A N 1.043 123.650 122.820 -0.355 0.000 1.902 113 A HA -0.122 4.197 4.320 -0.001 0.000 0.217 113 A C 2.751 180.113 177.584 -0.369 0.000 1.181 113 A CA 1.527 53.265 52.037 -0.497 0.000 0.623 113 A CB -0.904 17.482 19.000 -1.023 0.000 0.818 113 A HN 0.162 nan 8.150 nan 0.000 0.443 114 V N 0.608 120.252 119.914 -0.451 0.000 2.231 114 V HA -0.213 3.906 4.120 -0.001 0.000 0.248 114 V C 0.084 176.042 176.094 -0.227 0.000 1.054 114 V CA 2.703 64.773 62.300 -0.384 0.000 1.015 114 V CB -1.758 29.734 31.823 -0.552 0.000 0.638 114 V HN 0.375 nan 8.190 nan 0.000 0.444 115 P HA -0.191 nan 4.420 nan 0.000 0.213 115 P C 1.937 179.183 177.300 -0.091 0.000 1.170 115 P CA 1.442 64.470 63.100 -0.120 0.000 0.902 115 P CB -0.151 31.488 31.700 -0.102 0.000 0.789 116 L N -0.405 120.765 121.223 -0.089 0.000 2.012 116 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 116 L C 2.254 179.085 176.870 -0.065 0.000 1.073 116 L CA 2.302 57.105 54.840 -0.062 0.000 0.748 116 L CB -1.642 40.384 42.059 -0.055 0.000 0.891 116 L HN -0.106 nan 8.230 nan 0.000 0.431 117 A N -1.260 121.504 122.820 -0.092 0.000 1.902 117 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 117 A C 2.274 179.822 177.584 -0.059 0.000 1.181 117 A CA 2.033 54.027 52.037 -0.072 0.000 0.623 117 A CB -1.124 17.824 19.000 -0.088 0.000 0.818 117 A HN 0.331 nan 8.150 nan 0.000 0.443 118 V N 0.501 120.373 119.914 -0.070 0.000 2.295 118 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 118 V C 2.388 178.457 176.094 -0.041 0.000 1.049 118 V CA 2.508 64.776 62.300 -0.054 0.000 1.024 118 V CB -0.795 30.992 31.823 -0.060 0.000 0.648 118 V HN 0.740 nan 8.190 nan 0.000 0.447 119 D N 0.114 120.489 120.400 -0.042 0.000 2.084 119 D HA -0.157 4.482 4.640 -0.001 0.000 0.194 119 D C 2.014 178.295 176.300 -0.032 0.000 0.990 119 D CA 1.710 55.690 54.000 -0.033 0.000 0.826 119 D CB -0.167 40.615 40.800 -0.029 0.000 0.971 119 D HN 0.196 nan 8.370 nan 0.000 0.453 120 V N 0.104 119.998 119.914 -0.035 0.000 2.332 120 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 120 V C 2.647 178.720 176.094 -0.035 0.000 1.055 120 V CA 1.919 64.197 62.300 -0.038 0.000 1.038 120 V CB -0.773 31.030 31.823 -0.033 0.000 0.651 120 V HN 0.202 nan 8.190 nan 0.000 0.450 121 S N -0.577 115.106 115.700 -0.030 0.000 2.356 121 S HA -0.219 4.250 4.470 -0.001 0.000 0.223 121 S C 1.999 176.588 174.600 -0.018 0.000 1.032 121 S CA 1.600 59.786 58.200 -0.023 0.000 1.005 121 S CB -0.284 62.903 63.200 -0.021 0.000 0.867 121 S HN 0.595 nan 8.310 nan 0.000 0.449 122 K N 0.865 121.253 120.400 -0.021 0.000 2.032 122 K HA -0.052 4.267 4.320 -0.001 0.000 0.209 122 K C 2.407 178.995 176.600 -0.019 0.000 1.048 122 K CA 1.114 57.390 56.287 -0.017 0.000 0.927 122 K CB -0.175 32.313 32.500 -0.019 0.000 0.712 122 K HN 0.229 nan 8.250 nan 0.000 0.441 123 R N 0.268 120.752 120.500 -0.026 0.000 2.092 123 R HA -0.055 4.284 4.340 -0.001 0.000 0.231 123 R C 2.344 178.624 176.300 -0.032 0.000 1.119 123 R CA 1.068 57.149 56.100 -0.032 0.000 0.970 123 R CB -0.291 29.985 30.300 -0.040 0.000 0.864 123 R HN 0.189 nan 8.270 nan 0.000 0.440 124 A N 0.806 123.608 122.820 -0.030 0.000 2.019 124 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 124 A C 1.986 179.566 177.584 -0.006 0.000 1.164 124 A CA 1.144 53.166 52.037 -0.025 0.000 0.644 124 A CB -0.225 18.761 19.000 -0.023 0.000 0.805 124 A HN 0.195 nan 8.150 nan 0.000 0.449 125 L N -1.600 119.623 121.223 -0.000 0.000 2.416 125 L HA 0.101 4.440 4.340 -0.001 0.000 0.216 125 L C 2.841 179.703 176.870 -0.014 0.000 1.098 125 L CA 0.511 55.360 54.840 0.015 0.000 0.840 125 L CB -0.299 41.778 42.059 0.030 0.000 0.981 125 L HN 0.366 nan 8.230 nan 0.000 0.462 126 A N 0.829 123.636 122.820 -0.023 0.000 1.940 126 A HA -0.255 4.064 4.320 -0.001 0.000 0.221 126 A C 2.312 179.867 177.584 -0.048 0.000 1.190 126 A CA 2.248 54.265 52.037 -0.033 0.000 0.647 126 A CB -1.267 17.715 19.000 -0.031 0.000 0.821 126 A HN 0.444 nan 8.150 nan 0.000 0.457 127 G N -1.330 107.437 108.800 -0.054 0.000 2.464 127 G HA2 0.255 4.214 3.960 -0.001 0.000 0.217 127 G HA3 0.255 4.214 3.960 -0.001 0.000 0.217 127 G C 0.560 175.391 174.900 -0.116 0.000 1.138 127 G CA 0.208 45.266 45.100 -0.070 0.000 0.793 127 G HN 0.307 nan 8.290 nan 0.000 0.539 128 L N 1.002 122.138 121.223 -0.145 0.000 2.418 128 L HA 0.298 4.638 4.340 -0.001 0.000 0.265 128 L C -1.316 175.360 176.870 -0.323 0.000 1.143 128 L CA -2.012 52.636 54.840 -0.319 0.000 0.809 128 L CB 0.878 42.721 42.059 -0.359 0.000 1.124 128 L HN -0.007 nan 8.230 nan 0.000 0.456 129 P HA 0.071 nan 4.420 nan 0.000 0.263 129 P C -0.594 176.598 177.300 -0.180 0.000 1.448 129 P CA -0.196 62.743 63.100 -0.269 0.000 0.983 129 P CB 0.181 31.746 31.700 -0.225 0.000 1.481 130 Y N 0.984 121.284 120.300 0.000 0.000 2.442 130 Y HA 0.282 4.832 4.550 -0.001 0.000 0.330 130 Y C 1.508 177.409 175.900 0.002 0.000 1.129 130 Y CA -0.575 57.527 58.100 0.003 0.000 1.365 130 Y CB 0.100 38.564 38.460 0.006 0.000 1.233 130 Y HN -0.117 nan 8.280 nan 0.000 0.529 131 R N 1.402 122.013 120.500 0.185 0.000 2.577 131 R HA 0.536 4.875 4.340 -0.001 0.000 0.269 131 R C 1.086 177.433 176.300 0.079 0.000 1.084 131 R CA 0.440 56.598 56.100 0.096 0.000 1.163 131 R CB 0.604 30.946 30.300 0.070 0.000 1.100 131 R HN 0.791 nan 8.270 nan 0.000 0.547 132 A N 2.441 125.289 122.820 0.048 0.000 1.940 132 A HA -0.148 4.172 4.320 -0.001 0.000 0.219 132 A C 1.877 179.474 177.584 0.020 0.000 1.176 132 A CA 2.014 54.069 52.037 0.030 0.000 0.631 132 A CB -1.046 17.965 19.000 0.018 0.000 0.814 132 A HN 0.772 nan 8.150 nan 0.000 0.446 133 A N -0.478 122.355 122.820 0.022 0.000 2.172 133 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 133 A C 1.720 179.310 177.584 0.010 0.000 1.154 133 A CA 1.331 53.375 52.037 0.013 0.000 0.701 133 A CB -0.373 18.636 19.000 0.014 0.000 0.789 133 A HN 0.678 nan 8.150 nan 0.000 0.465 134 E N -0.676 119.533 120.200 0.014 0.000 2.400 134 E HA 0.149 4.498 4.350 -0.001 0.000 0.195 134 E C -0.289 176.289 176.600 -0.037 0.000 1.012 134 E CA -0.046 56.344 56.400 -0.016 0.000 0.875 134 E CB 0.155 29.843 29.700 -0.021 0.000 0.859 134 E HN 0.614 nan 8.360 nan 0.000 0.498 135 I N 1.594 122.156 120.570 -0.014 0.000 2.269 135 I HA 0.103 4.272 4.170 -0.001 0.000 0.293 135 I C 1.211 177.311 176.117 -0.029 0.000 1.106 135 I CA -0.233 61.054 61.300 -0.022 0.000 1.248 135 I CB 1.114 39.107 38.000 -0.012 0.000 1.444 135 I HN 0.031 nan 8.210 nan 0.000 0.497 136 G N 6.479 115.277 108.800 -0.003 0.000 2.777 136 G HA2 0.176 4.135 3.960 -0.001 0.000 0.211 136 G HA3 0.176 4.135 3.960 -0.001 0.000 0.211 136 G C 0.073 174.769 174.900 -0.340 0.000 1.149 136 G CA 0.280 45.352 45.100 -0.047 0.000 0.785 136 G HN 0.406 nan 8.290 nan 0.000 0.536 137 L N -0.195 120.771 121.223 -0.428 0.000 2.445 137 L HA 0.792 5.132 4.340 -0.001 0.000 0.262 137 L C -2.003 174.714 176.870 -0.254 0.000 0.974 137 L CA -1.256 53.284 54.840 -0.501 0.000 0.822 137 L CB 2.469 43.944 42.059 -0.974 0.000 1.339 137 L HN -0.088 nan 8.230 nan 0.000 0.409 138 L N 5.287 126.399 121.223 -0.185 0.000 2.406 138 L HA 0.781 5.121 4.340 -0.001 0.000 0.272 138 L C -1.614 175.204 176.870 -0.087 0.000 0.980 138 L CA -0.390 54.386 54.840 -0.105 0.000 0.831 138 L CB 1.946 43.964 42.059 -0.070 0.000 1.253 138 L HN 0.380 nan 8.230 nan 0.000 0.406 139 V N 6.129 126.004 119.914 -0.064 0.000 2.409 139 V HA 0.491 4.610 4.120 -0.001 0.000 0.291 139 V C -0.575 175.509 176.094 -0.017 0.000 1.020 139 V CA -0.615 61.660 62.300 -0.043 0.000 0.848 139 V CB 1.645 33.443 31.823 -0.042 0.000 0.990 139 V HN 0.654 nan 8.190 nan 0.000 0.430 140 L N 4.907 126.130 121.223 0.000 0.000 2.322 140 L HA 0.927 5.266 4.340 -0.001 0.000 0.281 140 L C -0.143 176.750 176.870 0.039 0.000 1.014 140 L CA -0.168 54.688 54.840 0.027 0.000 0.815 140 L CB 1.544 43.631 42.059 0.046 0.000 1.247 140 L HN 0.763 nan 8.230 nan 0.000 0.421 141 A N 3.550 126.400 122.820 0.051 0.000 2.365 141 A HA 0.932 5.251 4.320 -0.001 0.000 0.318 141 A C -0.761 176.883 177.584 0.099 0.000 1.091 141 A CA -0.298 51.775 52.037 0.059 0.000 0.763 141 A CB 1.608 20.626 19.000 0.031 0.000 1.248 141 A HN 0.778 nan 8.150 nan 0.000 0.442 142 T N 0.221 114.848 114.554 0.122 0.000 2.775 142 T HA 0.481 4.830 4.350 -0.001 0.000 0.320 142 T C -0.048 174.770 174.700 0.197 0.000 1.597 142 T CA -0.365 61.823 62.100 0.147 0.000 1.022 142 T CB 1.592 70.563 68.868 0.172 0.000 1.485 142 T HN 0.483 nan 8.240 nan 0.000 0.494 143 S N 0.370 116.163 115.700 0.154 0.000 3.053 143 S HA 0.201 4.670 4.470 -0.001 0.000 0.255 143 S C 1.040 175.630 174.600 -0.017 0.000 0.976 143 S CA 0.024 58.403 58.200 0.300 0.000 1.159 143 S CB 0.397 63.778 63.200 0.302 0.000 1.110 143 S HN 0.937 nan 8.310 nan 0.000 0.633 144 T N -1.843 112.532 114.554 -0.300 0.000 3.170 144 T HA 0.493 4.842 4.350 -0.001 0.000 0.288 144 T C 0.881 174.914 174.700 -1.111 0.000 0.992 144 T CA 0.238 62.044 62.100 -0.490 0.000 0.909 144 T CB 0.889 69.671 68.868 -0.144 0.000 1.133 144 T HN 0.242 nan 8.240 nan 0.000 0.530 145 G N 1.187 109.056 108.800 -1.552 0.000 3.054 145 G HA2 0.532 4.491 3.960 -0.001 0.000 0.201 145 G HA3 0.532 4.491 3.960 -0.001 0.000 0.201 145 G C -0.870 173.494 174.900 -0.893 0.000 1.694 145 G CA -0.689 43.317 45.100 -1.824 0.000 0.742 145 G HN 0.343 nan 8.290 nan 0.000 0.790 146 F N -0.711 119.007 119.950 -0.386 0.000 2.201 146 F HA -0.017 4.509 4.527 -0.002 0.000 0.511 146 F C -0.888 174.837 175.800 -0.124 0.000 1.272 146 F CA -1.257 56.611 58.000 -0.220 0.000 1.637 146 F CB -2.263 36.574 39.000 -0.272 0.000 2.599 146 F HN 0.314 nan 8.300 nan 0.000 0.730 147 I N -0.373 120.274 120.570 0.129 0.000 2.894 147 I HA 0.865 5.034 4.170 -0.001 0.000 0.302 147 I C 0.855 176.985 176.117 0.021 0.000 1.188 147 I CA -0.627 60.701 61.300 0.048 0.000 1.014 147 I CB 1.039 39.083 38.000 0.073 0.000 1.242 147 I HN 0.449 nan 8.210 nan 0.000 0.430 148 A N 4.195 127.000 122.820 -0.026 0.000 3.286 148 A HA 0.078 4.397 4.320 -0.001 0.000 0.228 148 A C -1.723 175.851 177.584 -0.016 0.000 0.638 148 A CA 0.827 52.848 52.037 -0.027 0.000 1.328 148 A CB -2.020 16.959 19.000 -0.035 0.000 0.823 148 A HN 0.681 nan 8.150 nan 0.000 0.491 149 P HA 0.238 nan 4.420 nan 0.000 0.267 149 P C 0.129 177.460 177.300 0.052 0.000 1.209 149 P CA 0.819 63.925 63.100 0.010 0.000 0.763 149 P CB 0.366 32.071 31.700 0.008 0.000 0.816 150 G N 1.460 110.343 108.800 0.139 0.000 2.641 150 G HA2 0.265 4.224 3.960 -0.001 0.000 0.239 150 G HA3 0.265 4.224 3.960 -0.001 0.000 0.239 150 G C 1.094 176.215 174.900 0.367 0.000 1.402 150 G CA -0.590 44.681 45.100 0.286 0.000 1.046 150 G HN 0.225 nan 8.290 nan 0.000 0.565 151 V N 1.635 121.732 119.914 0.304 0.000 2.594 151 V HA -0.141 3.979 4.120 -0.001 0.000 0.253 151 V C 2.665 178.806 176.094 0.079 0.000 1.069 151 V CA 2.296 64.669 62.300 0.122 0.000 1.082 151 V CB -0.698 31.155 31.823 0.051 0.000 0.680 151 V HN 0.841 nan 8.190 nan 0.000 0.469 152 D N 0.570 121.025 120.400 0.093 0.000 2.117 152 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 152 D C 2.035 178.361 176.300 0.044 0.000 0.987 152 D CA 1.420 55.450 54.000 0.050 0.000 0.829 152 D CB -0.567 40.257 40.800 0.040 0.000 0.961 152 D HN 0.365 nan 8.370 nan 0.000 0.460 153 V N 1.632 121.588 119.914 0.070 0.000 2.358 153 V HA -0.172 3.947 4.120 -0.001 0.000 0.246 153 V C 2.946 179.077 176.094 0.061 0.000 1.047 153 V CA 1.766 64.103 62.300 0.061 0.000 1.035 153 V CB -0.889 30.979 31.823 0.076 0.000 0.658 153 V HN 0.380 nan 8.190 nan 0.000 0.452 154 A N -0.201 122.669 122.820 0.083 0.000 1.930 154 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 154 A C 2.181 179.768 177.584 0.005 0.000 1.175 154 A CA 1.658 53.723 52.037 0.048 0.000 0.627 154 A CB -0.498 18.509 19.000 0.012 0.000 0.815 154 A HN 0.507 nan 8.150 nan 0.000 0.443 155 I N -0.369 120.200 120.570 -0.001 0.000 2.226 155 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 155 I C 2.294 178.407 176.117 -0.006 0.000 1.100 155 I CA 1.065 62.358 61.300 -0.013 0.000 1.374 155 I CB -0.263 37.729 38.000 -0.014 0.000 1.057 155 I HN 0.155 nan 8.210 nan 0.000 0.413 156 V N 0.911 120.825 119.914 0.000 0.000 2.343 156 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 156 V C 2.358 178.453 176.094 0.001 0.000 1.051 156 V CA 1.861 64.160 62.300 -0.002 0.000 1.036 156 V CB -0.714 31.109 31.823 -0.001 0.000 0.654 156 V HN 0.406 nan 8.190 nan 0.000 0.451 157 K N -0.328 120.077 120.400 0.007 0.000 2.076 157 K HA -0.126 4.193 4.320 -0.001 0.000 0.204 157 K C 2.238 178.840 176.600 0.002 0.000 1.051 157 K CA 1.214 57.506 56.287 0.008 0.000 0.949 157 K CB -0.119 32.391 32.500 0.017 0.000 0.726 157 K HN 0.314 nan 8.250 nan 0.000 0.443 158 E N 0.701 120.900 120.200 -0.003 0.000 2.106 158 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 158 E C 1.369 177.963 176.600 -0.009 0.000 0.984 158 E CA 0.887 57.281 56.400 -0.010 0.000 0.806 158 E CB 0.132 29.820 29.700 -0.021 0.000 0.750 158 E HN 0.034 nan 8.360 nan 0.000 0.458 159 L N -1.177 120.042 121.223 -0.008 0.000 2.509 159 L HA 0.270 4.610 4.340 -0.001 0.000 0.222 159 L C 1.232 178.101 176.870 -0.001 0.000 1.123 159 L CA 0.900 55.736 54.840 -0.006 0.000 0.856 159 L CB 0.034 42.090 42.059 -0.006 0.000 0.985 159 L HN 0.240 nan 8.230 nan 0.000 0.456 160 G N 0.032 108.831 108.800 -0.001 0.000 2.225 160 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.264 160 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.264 160 G C 0.287 175.188 174.900 0.002 0.000 1.060 160 G CA 0.082 45.183 45.100 0.001 0.000 0.833 160 G HN 0.235 nan 8.290 nan 0.000 0.498 161 L N 0.057 121.280 121.223 -0.001 0.000 2.475 161 L HA 0.489 4.828 4.340 -0.001 0.000 0.253 161 L C 1.553 178.420 176.870 -0.005 0.000 1.198 161 L CA -0.053 54.785 54.840 -0.003 0.000 0.814 161 L CB 0.827 42.881 42.059 -0.010 0.000 1.134 161 L HN 0.315 nan 8.230 nan 0.000 0.478 162 S N 0.519 116.214 115.700 -0.008 0.000 2.549 162 S HA 0.122 4.591 4.470 -0.001 0.000 0.283 162 S C -1.639 172.954 174.600 -0.013 0.000 1.320 162 S CA -1.063 57.131 58.200 -0.009 0.000 1.058 162 S CB 0.868 64.061 63.200 -0.011 0.000 0.882 162 S HN 0.339 nan 8.310 nan 0.000 0.498 163 P HA -0.016 nan 4.420 nan 0.000 0.223 163 P C 1.031 178.322 177.300 -0.014 0.000 1.151 163 P CA 0.706 63.800 63.100 -0.009 0.000 0.787 163 P CB 0.027 31.724 31.700 -0.005 0.000 0.788 164 S N -1.794 113.896 115.700 -0.017 0.000 2.593 164 S HA 0.102 4.571 4.470 -0.001 0.000 0.217 164 S C 0.834 175.414 174.600 -0.034 0.000 0.966 164 S CA -0.277 57.910 58.200 -0.021 0.000 0.914 164 S CB -0.979 62.211 63.200 -0.017 0.000 0.776 164 S HN 0.010 nan 8.310 nan 0.000 0.523 165 I N 2.856 123.401 120.570 -0.041 0.000 2.872 165 I HA 0.005 4.174 4.170 -0.001 0.000 0.291 165 I C 0.342 176.409 176.117 -0.083 0.000 1.216 165 I CA 0.021 61.281 61.300 -0.068 0.000 1.424 165 I CB 0.472 38.431 38.000 -0.067 0.000 1.351 165 I HN 0.183 nan 8.210 nan 0.000 0.592 166 S N 6.109 121.730 115.700 -0.131 0.000 2.565 166 S HA 0.478 4.947 4.470 -0.001 0.000 0.274 166 S C -0.155 174.364 174.600 -0.134 0.000 1.309 166 S CA -0.647 57.474 58.200 -0.131 0.000 1.043 166 S CB 1.011 64.106 63.200 -0.176 0.000 0.939 166 S HN 0.460 nan 8.310 nan 0.000 0.504 167 R N 1.093 121.540 120.500 -0.089 0.000 2.686 167 R HA 0.708 5.047 4.340 -0.001 0.000 0.283 167 R C -1.692 174.573 176.300 -0.057 0.000 0.978 167 R CA -0.642 55.415 56.100 -0.072 0.000 0.897 167 R CB 1.978 32.253 30.300 -0.043 0.000 1.192 167 R HN 0.397 nan 8.270 nan 0.000 0.457 168 V N 3.132 123.015 119.914 -0.052 0.000 2.623 168 V HA 0.353 4.472 4.120 -0.001 0.000 0.304 168 V C -0.752 175.327 176.094 -0.026 0.000 1.054 168 V CA -0.818 61.459 62.300 -0.039 0.000 0.882 168 V CB 2.217 34.016 31.823 -0.041 0.000 1.002 168 V HN 0.445 nan 8.190 nan 0.000 0.424 169 V N 5.531 125.432 119.914 -0.023 0.000 2.370 169 V HA 0.471 4.590 4.120 -0.001 0.000 0.283 169 V C -0.220 175.858 176.094 -0.025 0.000 1.023 169 V CA -0.594 61.698 62.300 -0.012 0.000 0.857 169 V CB 1.916 33.733 31.823 -0.009 0.000 0.985 169 V HN 0.604 nan 8.190 nan 0.000 0.443 170 V N 5.563 125.472 119.914 -0.008 0.000 2.311 170 V HA 0.461 4.581 4.120 -0.001 0.000 0.275 170 V C -0.063 176.038 176.094 0.011 0.000 1.022 170 V CA -0.638 61.657 62.300 -0.007 0.000 0.830 170 V CB 1.062 32.886 31.823 0.002 0.000 1.012 170 V HN 0.824 nan 8.190 nan 0.000 0.452 171 N N 3.403 122.085 118.700 -0.031 0.000 2.417 171 N HA 0.537 5.276 4.740 -0.001 0.000 0.300 171 N C 0.063 175.650 175.510 0.128 0.000 1.102 171 N CA -0.639 52.397 53.050 -0.023 0.000 0.886 171 N CB 1.412 39.652 38.487 -0.412 0.000 1.203 171 N HN 0.481 nan 8.380 nan 0.000 0.496 172 F N -0.103 119.886 119.950 0.064 0.000 3.093 172 F HA -0.205 4.321 4.527 -0.001 0.000 0.287 172 F C 1.069 176.880 175.800 0.018 0.000 0.882 172 F CA 0.316 58.356 58.000 0.066 0.000 1.063 172 F CB -1.456 37.569 39.000 0.040 0.000 1.097 172 F HN 0.576 nan 8.300 nan 0.000 0.604 173 M N -1.007 118.685 119.600 0.153 0.000 2.383 173 M HA 0.306 4.785 4.480 -0.001 0.000 0.247 173 M C 1.641 177.942 176.300 0.002 0.000 1.117 173 M CA 0.793 56.122 55.300 0.049 0.000 0.995 173 M CB -0.134 32.481 32.600 0.026 0.000 1.480 173 M HN 0.386 nan 8.290 nan 0.000 0.485 174 G N 0.977 109.787 108.800 0.016 0.000 2.566 174 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.280 174 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.280 174 G C 0.514 175.352 174.900 -0.103 0.000 1.225 174 G CA 0.119 45.191 45.100 -0.045 0.000 0.966 174 G HN 0.439 nan 8.290 nan 0.000 0.560 175 C N 1.188 120.378 119.300 -0.182 0.000 2.422 175 C HA 0.345 4.805 4.460 -0.001 0.000 0.286 175 C C 3.026 177.788 174.990 -0.381 0.000 1.412 175 C CA 1.787 60.590 59.018 -0.359 0.000 1.786 175 C CB -1.554 25.822 27.740 -0.606 0.000 1.835 175 C HN 1.242 nan 8.230 nan 0.000 0.533 176 A N -0.206 122.473 122.820 -0.235 0.000 2.348 176 A HA 0.575 4.894 4.320 -0.001 0.000 0.224 176 A C 2.063 179.572 177.584 -0.126 0.000 1.227 176 A CA 0.798 52.717 52.037 -0.197 0.000 0.885 176 A CB -0.335 18.561 19.000 -0.173 0.000 0.933 176 A HN 0.419 nan 8.150 nan 0.000 0.506 177 A N 0.374 123.139 122.820 -0.092 0.000 1.986 177 A HA 0.030 4.349 4.320 -0.001 0.000 0.220 177 A C 2.371 179.924 177.584 -0.051 0.000 1.171 177 A CA 2.031 54.038 52.037 -0.050 0.000 0.640 177 A CB -0.742 18.249 19.000 -0.015 0.000 0.811 177 A HN 1.107 nan 8.150 nan 0.000 0.451 178 A N -0.929 121.853 122.820 -0.063 0.000 1.940 178 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 178 A C 2.144 179.687 177.584 -0.068 0.000 1.176 178 A CA 2.013 54.016 52.037 -0.056 0.000 0.631 178 A CB -0.452 18.514 19.000 -0.056 0.000 0.814 178 A HN 0.446 nan 8.150 nan 0.000 0.446 179 M N 0.324 119.868 119.600 -0.093 0.000 2.175 179 M HA -0.096 4.383 4.480 -0.001 0.000 0.264 179 M C 1.653 177.904 176.300 -0.082 0.000 1.063 179 M CA 1.106 56.341 55.300 -0.108 0.000 1.119 179 M CB -1.596 30.907 32.600 -0.163 0.000 1.377 179 M HN 0.476 nan 8.290 nan 0.000 0.415 180 N N 0.475 119.134 118.700 -0.068 0.000 2.188 180 N HA -0.047 4.693 4.740 -0.001 0.000 0.184 180 N C 1.736 177.227 175.510 -0.031 0.000 1.018 180 N CA 1.517 54.539 53.050 -0.046 0.000 0.858 180 N CB -0.066 38.400 38.487 -0.035 0.000 0.989 180 N HN 0.319 nan 8.380 nan 0.000 0.426 181 A N 1.460 124.261 122.820 -0.030 0.000 1.897 181 A HA -0.053 4.267 4.320 -0.001 0.000 0.215 181 A C 2.220 179.792 177.584 -0.021 0.000 1.181 181 A CA 0.722 52.746 52.037 -0.022 0.000 0.620 181 A CB -0.603 18.385 19.000 -0.019 0.000 0.821 181 A HN 0.191 nan 8.150 nan 0.000 0.443 182 L N 0.339 121.544 121.223 -0.030 0.000 2.083 182 L HA -0.005 4.334 4.340 -0.001 0.000 0.209 182 L C 2.309 179.173 176.870 -0.011 0.000 1.083 182 L CA 2.242 57.067 54.840 -0.025 0.000 0.752 182 L CB -1.105 40.929 42.059 -0.043 0.000 0.899 182 L HN 0.290 nan 8.230 nan 0.000 0.433 183 G N -1.629 107.160 108.800 -0.018 0.000 2.446 183 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.217 183 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.217 183 G C 1.423 176.332 174.900 0.016 0.000 1.168 183 G CA 1.224 46.321 45.100 -0.005 0.000 0.771 183 G HN 0.435 nan 8.290 nan 0.000 0.551 184 T N 1.664 116.226 114.554 0.013 0.000 2.759 184 T HA -0.028 4.321 4.350 -0.001 0.000 0.269 184 T C 2.737 177.474 174.700 0.062 0.000 1.042 184 T CA 1.568 63.685 62.100 0.030 0.000 1.140 184 T CB -0.308 68.565 68.868 0.008 0.000 0.864 184 T HN 0.396 nan 8.240 nan 0.000 0.455 185 A N 1.849 124.697 122.820 0.046 0.000 1.897 185 A HA -0.082 4.238 4.320 -0.001 0.000 0.215 185 A C 2.670 180.327 177.584 0.121 0.000 1.181 185 A CA 2.031 54.116 52.037 0.080 0.000 0.620 185 A CB -1.224 17.797 19.000 0.035 0.000 0.821 185 A HN 0.622 nan 8.150 nan 0.000 0.443 186 T N -1.457 113.138 114.554 0.069 0.000 2.788 186 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 186 T C 1.639 176.371 174.700 0.053 0.000 1.044 186 T CA 1.484 63.615 62.100 0.053 0.000 1.139 186 T CB -0.583 68.303 68.868 0.029 0.000 0.867 186 T HN 0.388 nan 8.240 nan 0.000 0.454 187 N N 0.722 119.461 118.700 0.066 0.000 2.120 187 N HA -0.067 4.673 4.740 -0.001 0.000 0.188 187 N C 1.545 177.094 175.510 0.065 0.000 1.024 187 N CA 1.462 54.542 53.050 0.050 0.000 0.852 187 N CB -0.763 37.759 38.487 0.059 0.000 1.003 187 N HN 0.578 nan 8.380 nan 0.000 0.424 188 Y N 1.802 122.125 120.300 0.038 0.000 2.097 188 Y HA -0.155 4.394 4.550 -0.001 0.000 0.282 188 Y C 2.377 178.348 175.900 0.119 0.000 1.152 188 Y CA 1.282 59.447 58.100 0.108 0.000 1.136 188 Y CB -0.612 37.895 38.460 0.079 0.000 0.975 188 Y HN -0.188 nan 8.280 nan 0.000 0.498 189 V N 0.962 120.886 119.914 0.017 0.000 2.407 189 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 189 V C 2.339 178.362 176.094 -0.119 0.000 1.055 189 V CA 2.329 64.590 62.300 -0.064 0.000 1.049 189 V CB -0.431 31.422 31.823 0.050 0.000 0.662 189 V HN 0.416 nan 8.190 nan 0.000 0.455 190 R N -0.489 119.956 120.500 -0.092 0.000 2.153 190 R HA 0.069 4.408 4.340 -0.001 0.000 0.218 190 R C 2.195 178.387 176.300 -0.179 0.000 1.072 190 R CA 1.086 57.125 56.100 -0.102 0.000 0.990 190 R CB -0.303 29.961 30.300 -0.060 0.000 0.889 190 R HN 0.515 nan 8.270 nan 0.000 0.452 191 A N 0.336 122.993 122.820 -0.271 0.000 2.072 191 A HA -0.033 4.286 4.320 -0.001 0.000 0.216 191 A C 0.097 177.208 177.584 -0.789 0.000 1.156 191 A CA 0.806 52.554 52.037 -0.480 0.000 0.701 191 A CB -0.009 18.688 19.000 -0.506 0.000 0.816 191 A HN 0.314 nan 8.150 nan 0.000 0.458 192 H N -1.679 117.184 119.070 -0.346 0.000 2.429 192 H HA 0.290 4.845 4.556 -0.001 0.000 0.231 192 H C -2.273 172.895 175.328 -0.266 0.000 1.416 192 H CA -1.558 54.285 56.048 -0.343 0.000 1.443 192 H CB 0.697 30.129 29.762 -0.550 0.000 1.591 192 H HN 0.132 nan 8.280 nan 0.000 0.507 193 P HA -0.293 nan 4.420 nan 0.000 0.219 193 P C 1.312 178.576 177.300 -0.061 0.000 1.151 193 P CA 1.890 64.943 63.100 -0.078 0.000 0.850 193 P CB 0.359 32.020 31.700 -0.064 0.000 0.784 194 A N -2.930 119.861 122.820 -0.049 0.000 2.218 194 A HA 0.101 4.420 4.320 -0.001 0.000 0.209 194 A C 1.016 178.559 177.584 -0.068 0.000 1.168 194 A CA 0.669 52.679 52.037 -0.046 0.000 0.804 194 A CB -0.533 18.453 19.000 -0.023 0.000 0.834 194 A HN 0.038 nan 8.150 nan 0.000 0.482 195 M N 0.114 119.676 119.600 -0.064 0.000 2.573 195 M HA 0.487 4.966 4.480 -0.001 0.000 0.309 195 M C -0.406 175.877 176.300 -0.028 0.000 1.202 195 M CA -0.360 54.924 55.300 -0.027 0.000 0.975 195 M CB 1.100 33.744 32.600 0.074 0.000 1.600 195 M HN -0.071 nan 8.290 nan 0.000 0.479 196 K N 0.629 121.015 120.400 -0.023 0.000 2.350 196 K HA 0.898 5.217 4.320 -0.001 0.000 0.241 196 K C -1.150 175.483 176.600 0.055 0.000 0.994 196 K CA -0.734 55.519 56.287 -0.058 0.000 0.839 196 K CB 2.130 34.467 32.500 -0.271 0.000 1.244 196 K HN 0.775 nan 8.250 nan 0.000 0.443 197 A N 1.158 124.001 122.820 0.038 0.000 2.386 197 A HA 0.665 4.984 4.320 -0.001 0.000 0.311 197 A C -1.535 176.036 177.584 -0.021 0.000 1.068 197 A CA -0.690 51.340 52.037 -0.013 0.000 0.743 197 A CB 1.160 20.172 19.000 0.020 0.000 1.258 197 A HN 0.497 nan 8.150 nan 0.000 0.429 198 L N 2.658 123.854 121.223 -0.045 0.000 2.313 198 L HA 0.721 5.061 4.340 -0.001 0.000 0.283 198 L C -1.096 175.754 176.870 -0.033 0.000 1.013 198 L CA -0.292 54.532 54.840 -0.027 0.000 0.816 198 L CB 1.610 43.654 42.059 -0.025 0.000 1.236 198 L HN 0.410 nan 8.230 nan 0.000 0.419 199 V N 5.906 125.807 119.914 -0.022 0.000 2.448 199 V HA 0.654 4.773 4.120 -0.001 0.000 0.295 199 V C -0.597 175.488 176.094 -0.015 0.000 1.025 199 V CA -0.575 61.712 62.300 -0.021 0.000 0.859 199 V CB 1.908 33.719 31.823 -0.021 0.000 0.988 199 V HN 0.555 nan 8.190 nan 0.000 0.431 200 V N 3.578 123.487 119.914 -0.007 0.000 2.638 200 V HA 0.493 4.612 4.120 -0.001 0.000 0.306 200 V C -0.533 175.571 176.094 0.017 0.000 1.052 200 V CA -0.500 61.801 62.300 0.002 0.000 0.885 200 V CB 2.021 33.845 31.823 0.002 0.000 0.999 200 V HN 0.941 nan 8.190 nan 0.000 0.424 201 C N 5.923 125.237 119.300 0.023 0.000 2.369 201 C HA 0.723 5.183 4.460 -0.001 0.000 0.322 201 C C -0.150 174.869 174.990 0.048 0.000 1.258 201 C CA -0.648 58.392 59.018 0.036 0.000 1.487 201 C CB 0.275 28.027 27.740 0.020 0.000 2.165 201 C HN 0.733 nan 8.230 nan 0.000 0.483 202 I N 2.654 123.274 120.570 0.084 0.000 2.466 202 I HA 0.468 4.637 4.170 -0.001 0.000 0.289 202 I C -0.625 175.589 176.117 0.161 0.000 1.026 202 I CA -0.221 61.135 61.300 0.092 0.000 1.078 202 I CB 1.821 39.874 38.000 0.088 0.000 1.249 202 I HN 0.487 nan 8.210 nan 0.000 0.429 203 E N 5.607 125.869 120.200 0.103 0.000 2.283 203 E HA 0.485 4.834 4.350 -0.001 0.000 0.258 203 E C -1.532 175.124 176.600 0.095 0.000 0.893 203 E CA -0.422 56.043 56.400 0.108 0.000 0.798 203 E CB 1.531 31.230 29.700 -0.002 0.000 1.242 203 E HN 0.329 nan 8.360 nan 0.000 0.414 204 L N 4.496 125.842 121.223 0.205 0.000 2.435 204 L HA 0.283 4.622 4.340 -0.001 0.000 0.253 204 L C 0.363 177.292 176.870 0.098 0.000 1.087 204 L CA -0.141 54.781 54.840 0.137 0.000 0.950 204 L CB 0.320 42.487 42.059 0.181 0.000 1.304 204 L HN 0.763 nan 8.230 nan 0.000 0.453 205 C N -0.696 118.625 119.300 0.034 0.000 2.435 205 C HA -0.127 4.332 4.460 -0.001 0.000 0.279 205 C C 2.689 177.651 174.990 -0.047 0.000 1.321 205 C CA 1.039 60.065 59.018 0.014 0.000 1.752 205 C CB -0.625 27.160 27.740 0.075 0.000 1.959 205 C HN 0.900 nan 8.230 nan 0.000 0.500 206 S N 0.995 116.662 115.700 -0.054 0.000 2.387 206 S HA -0.172 4.297 4.470 -0.001 0.000 0.230 206 S C 1.651 176.179 174.600 -0.121 0.000 1.035 206 S CA 1.736 59.879 58.200 -0.095 0.000 1.014 206 S CB -0.923 62.217 63.200 -0.100 0.000 0.836 206 S HN 0.404 nan 8.310 nan 0.000 0.466 207 V N 2.642 122.501 119.914 -0.091 0.000 3.026 207 V HA -0.096 4.024 4.120 -0.001 0.000 0.265 207 V C 1.098 177.179 176.094 -0.022 0.000 1.121 207 V CA 1.844 64.106 62.300 -0.063 0.000 1.142 207 V CB -1.109 30.746 31.823 0.053 0.000 0.730 207 V HN 0.585 nan 8.190 nan 0.000 0.503 208 N N -0.220 118.445 118.700 -0.058 0.000 2.204 208 N HA 0.355 5.094 4.740 -0.001 0.000 0.219 208 N C 0.301 175.750 175.510 -0.102 0.000 1.151 208 N CA 0.345 53.353 53.050 -0.070 0.000 0.867 208 N CB 0.449 38.881 38.487 -0.090 0.000 1.043 208 N HN 0.384 nan 8.380 nan 0.000 0.516 209 A N 0.032 122.783 122.820 -0.114 0.000 2.511 209 A HA 0.235 4.554 4.320 -0.001 0.000 0.242 209 A C 0.936 178.528 177.584 0.013 0.000 1.069 209 A CA 0.207 52.166 52.037 -0.130 0.000 0.763 209 A CB 0.397 19.311 19.000 -0.143 0.000 1.001 209 A HN 0.121 nan 8.150 nan 0.000 0.498 210 V N 1.279 121.224 119.914 0.053 0.000 3.245 210 V HA 0.134 4.253 4.120 -0.001 0.000 0.246 210 V C -0.179 175.889 176.094 -0.045 0.000 1.487 210 V CA 0.358 62.654 62.300 -0.007 0.000 1.154 210 V CB -0.693 31.112 31.823 -0.031 0.000 0.971 210 V HN 1.016 nan 8.190 nan 0.000 0.443 211 F N 0.733 120.422 119.950 -0.435 0.000 2.905 211 F HA -0.151 4.375 4.527 -0.002 0.000 0.291 211 F C 0.822 176.466 175.800 -0.260 0.000 1.002 211 F CA 0.234 57.953 58.000 -0.470 0.000 0.978 211 F CB -1.706 37.184 39.000 -0.184 0.000 1.036 211 F HN 0.245 nan 8.300 nan 0.000 0.820 212 A N 0.045 122.762 122.820 -0.171 0.000 2.280 212 A HA 0.373 4.692 4.320 -0.001 0.000 0.268 212 A C 1.486 179.045 177.584 -0.042 0.000 1.111 212 A CA 0.128 52.127 52.037 -0.064 0.000 0.814 212 A CB 0.342 19.305 19.000 -0.061 0.000 1.093 212 A HN 0.364 nan 8.150 nan 0.000 0.498 213 D N 0.116 120.506 120.400 -0.016 0.000 2.149 213 D HA -0.082 4.557 4.640 -0.001 0.000 0.201 213 D C 0.267 176.561 176.300 -0.009 0.000 0.972 213 D CA 1.150 55.146 54.000 -0.006 0.000 0.835 213 D CB -0.232 40.569 40.800 0.001 0.000 0.966 213 D HN 0.765 nan 8.370 nan 0.000 0.476 214 D N 0.881 121.272 120.400 -0.015 0.000 2.378 214 D HA -0.058 4.581 4.640 -0.001 0.000 0.238 214 D C 1.569 177.859 176.300 -0.017 0.000 1.180 214 D CA -0.323 53.669 54.000 -0.014 0.000 0.895 214 D CB 1.246 42.038 40.800 -0.014 0.000 1.192 214 D HN -0.044 nan 8.370 nan 0.000 0.438 215 I N 0.789 121.351 120.570 -0.012 0.000 2.208 215 I HA -0.281 3.888 4.170 -0.001 0.000 0.245 215 I C 2.305 178.405 176.117 -0.028 0.000 1.097 215 I CA 1.048 62.341 61.300 -0.013 0.000 1.363 215 I CB -1.262 36.730 38.000 -0.012 0.000 1.051 215 I HN 0.527 nan 8.210 nan 0.000 0.413 216 N N 0.995 119.676 118.700 -0.033 0.000 2.069 216 N HA -0.293 4.446 4.740 -0.001 0.000 0.191 216 N C 1.720 177.191 175.510 -0.065 0.000 1.031 216 N CA 2.249 55.270 53.050 -0.048 0.000 0.852 216 N CB -0.168 38.296 38.487 -0.037 0.000 1.018 216 N HN 0.481 nan 8.380 nan 0.000 0.423 217 D N -0.332 120.038 120.400 -0.050 0.000 2.117 217 D HA -0.063 4.576 4.640 -0.001 0.000 0.198 217 D C 2.107 178.385 176.300 -0.037 0.000 0.982 217 D CA 0.701 54.675 54.000 -0.043 0.000 0.828 217 D CB 0.196 40.941 40.800 -0.092 0.000 0.967 217 D HN 0.050 nan 8.370 nan 0.000 0.464 218 V N -0.211 119.677 119.914 -0.044 0.000 2.295 218 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 218 V C 2.484 178.566 176.094 -0.019 0.000 1.049 218 V CA 1.225 63.531 62.300 0.010 0.000 1.024 218 V CB -0.380 31.469 31.823 0.044 0.000 0.648 218 V HN 0.161 nan 8.190 nan 0.000 0.447 219 V N -0.344 119.527 119.914 -0.072 0.000 2.295 219 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 219 V C 2.253 178.208 176.094 -0.233 0.000 1.049 219 V CA 2.086 64.307 62.300 -0.132 0.000 1.024 219 V CB -0.545 31.219 31.823 -0.098 0.000 0.648 219 V HN 0.408 nan 8.190 nan 0.000 0.447 220 I N -0.566 119.810 120.570 -0.323 0.000 2.286 220 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 220 I C 2.351 178.068 176.117 -0.667 0.000 1.115 220 I CA 1.614 62.443 61.300 -0.785 0.000 1.392 220 I CB -0.692 36.772 38.000 -0.894 0.000 1.065 220 I HN 0.382 nan 8.210 nan 0.000 0.418 221 H N -0.961 117.865 119.070 -0.406 0.000 2.524 221 H HA 0.011 4.566 4.556 -0.001 0.000 0.282 221 H C 2.283 177.523 175.328 -0.147 0.000 1.016 221 H CA 1.304 57.193 56.048 -0.264 0.000 1.270 221 H CB 0.193 29.815 29.762 -0.233 0.000 1.394 221 H HN 0.399 nan 8.280 nan 0.000 0.568 222 S N -0.134 115.444 115.700 -0.204 0.000 2.503 222 S HA 0.063 4.532 4.470 -0.001 0.000 0.217 222 S C 1.834 176.267 174.600 -0.279 0.000 0.999 222 S CA -0.009 57.867 58.200 -0.539 0.000 0.914 222 S CB -0.004 62.557 63.200 -1.065 0.000 0.782 222 S HN 0.237 nan 8.310 nan 0.000 0.520 223 L N -0.785 120.352 121.223 -0.142 0.000 2.547 223 L HA 0.453 4.793 4.340 -0.001 0.000 0.218 223 L C -0.125 176.906 176.870 0.269 0.000 1.048 223 L CA -0.148 54.726 54.840 0.055 0.000 0.859 223 L CB -0.041 42.094 42.059 0.127 0.000 1.128 223 L HN 0.196 nan 8.230 nan 0.000 0.483 224 F N 1.185 121.081 119.950 -0.089 0.000 2.471 224 F HA 0.501 5.027 4.527 -0.001 0.000 0.353 224 F C 0.973 176.730 175.800 -0.072 0.000 1.113 224 F CA -1.022 56.926 58.000 -0.086 0.000 1.262 224 F CB 0.243 39.168 39.000 -0.125 0.000 1.146 224 F HN -0.156 nan 8.300 nan 0.000 0.578 225 G N 1.380 110.238 108.800 0.098 0.000 3.105 225 G HA2 0.559 4.518 3.960 -0.001 0.000 0.277 225 G HA3 0.559 4.518 3.960 -0.001 0.000 0.277 225 G C -1.763 173.133 174.900 -0.007 0.000 1.375 225 G CA -0.751 44.376 45.100 0.044 0.000 0.962 225 G HN 0.374 nan 8.290 nan 0.000 0.541 226 D N -1.130 119.264 120.400 -0.010 0.000 2.342 226 D HA 0.733 5.372 4.640 -0.001 0.000 0.243 226 D C 0.339 176.599 176.300 -0.067 0.000 1.019 226 D CA 0.217 54.199 54.000 -0.030 0.000 0.864 226 D CB 1.879 42.670 40.800 -0.015 0.000 1.315 226 D HN 0.801 nan 8.370 nan 0.000 0.468 227 G N -1.104 107.649 108.800 -0.077 0.000 2.451 227 G HA2 0.508 4.468 3.960 -0.001 0.000 0.292 227 G HA3 0.508 4.468 3.960 -0.001 0.000 0.292 227 G C -1.746 173.146 174.900 -0.014 0.000 1.427 227 G CA -0.528 44.518 45.100 -0.091 0.000 0.792 227 G HN 0.663 nan 8.290 nan 0.000 0.498 228 C N -0.398 118.949 119.300 0.080 0.000 3.082 228 C HA 0.996 5.455 4.460 -0.001 0.000 0.324 228 C C -0.441 174.631 174.990 0.135 0.000 1.210 228 C CA 0.662 59.725 59.018 0.075 0.000 1.366 228 C CB 0.643 28.397 27.740 0.024 0.000 1.756 228 C HN 2.156 nan 8.230 nan 0.000 0.485 229 A N 2.744 125.610 122.820 0.076 0.000 2.549 229 A HA 0.990 5.310 4.320 -0.001 0.000 0.297 229 A C -0.974 176.609 177.584 -0.002 0.000 1.061 229 A CA 0.196 52.255 52.037 0.037 0.000 0.690 229 A CB 1.437 20.486 19.000 0.082 0.000 1.287 229 A HN 2.339 nan 8.150 nan 0.000 0.402 230 A N 1.183 123.985 122.820 -0.030 0.000 2.449 230 A HA 0.829 5.149 4.320 -0.001 0.000 0.302 230 A C -1.273 176.290 177.584 -0.036 0.000 1.048 230 A CA -0.409 51.612 52.037 -0.027 0.000 0.708 230 A CB 1.027 20.012 19.000 -0.026 0.000 1.274 230 A HN 0.982 nan 8.150 nan 0.000 0.410 231 L N 1.543 122.750 121.223 -0.027 0.000 2.381 231 L HA 0.674 5.014 4.340 -0.001 0.000 0.268 231 L C -0.980 175.886 176.870 -0.007 0.000 0.997 231 L CA -1.107 53.718 54.840 -0.025 0.000 0.818 231 L CB 2.222 44.260 42.059 -0.034 0.000 1.310 231 L HN 0.411 nan 8.230 nan 0.000 0.416 232 V N 3.551 123.471 119.914 0.010 0.000 2.384 232 V HA 0.460 4.579 4.120 -0.001 0.000 0.287 232 V C -0.331 175.785 176.094 0.038 0.000 1.020 232 V CA -0.365 61.957 62.300 0.037 0.000 0.850 232 V CB 1.808 33.681 31.823 0.083 0.000 0.987 232 V HN 0.400 nan 8.190 nan 0.000 0.436 233 I N 3.810 124.396 120.570 0.026 0.000 2.493 233 I HA 0.869 5.038 4.170 -0.001 0.000 0.298 233 I C 0.672 176.797 176.117 0.014 0.000 0.998 233 I CA 0.046 61.362 61.300 0.026 0.000 1.137 233 I CB 1.901 39.918 38.000 0.028 0.000 1.310 233 I HN 0.708 nan 8.210 nan 0.000 0.445 234 G N 2.782 111.590 108.800 0.013 0.000 2.672 234 G HA2 0.804 4.763 3.960 -0.001 0.000 0.292 234 G HA3 0.804 4.763 3.960 -0.001 0.000 0.292 234 G C -1.800 173.098 174.900 -0.003 0.000 1.375 234 G CA -0.793 44.297 45.100 -0.017 0.000 0.890 234 G HN 0.757 nan 8.290 nan 0.000 0.476 235 A N -0.039 122.769 122.820 -0.020 0.000 2.290 235 A HA 0.811 5.131 4.320 -0.001 0.000 0.310 235 A C 0.105 177.685 177.584 -0.007 0.000 1.202 235 A CA -0.336 51.691 52.037 -0.018 0.000 0.837 235 A CB 1.352 20.328 19.000 -0.041 0.000 1.139 235 A HN 1.303 nan 8.150 nan 0.000 0.509 236 S N 1.017 116.717 115.700 -0.000 0.000 2.548 236 S HA 0.422 4.891 4.470 -0.001 0.000 0.286 236 S C -0.780 173.820 174.600 0.000 0.000 1.098 236 S CA -0.569 57.635 58.200 0.007 0.000 0.930 236 S CB 1.391 64.602 63.200 0.018 0.000 1.070 236 S HN 0.813 nan 8.310 nan 0.000 0.480 237 Q N 3.215 123.015 119.800 -0.000 0.000 2.288 237 Q HA 0.260 4.599 4.340 -0.001 0.000 0.254 237 Q C 1.083 177.082 176.000 -0.001 0.000 0.932 237 Q CA -0.077 55.723 55.803 -0.004 0.000 0.902 237 Q CB 1.368 30.103 28.738 -0.005 0.000 1.203 237 Q HN 0.696 nan 8.270 nan 0.000 0.415 238 V N 4.225 124.136 119.914 -0.004 0.000 2.282 238 V HA -0.332 3.787 4.120 -0.001 0.000 0.249 238 V C 2.015 178.107 176.094 -0.003 0.000 1.057 238 V CA 2.290 64.588 62.300 -0.003 0.000 1.032 238 V CB -0.449 31.370 31.823 -0.007 0.000 0.645 238 V HN 0.792 nan 8.190 nan 0.000 0.447 239 Q N -0.240 119.558 119.800 -0.004 0.000 2.508 239 Q HA -0.090 4.249 4.340 -0.001 0.000 0.214 239 Q C 0.361 176.361 176.000 0.000 0.000 0.979 239 Q CA 0.331 56.132 55.803 -0.003 0.000 0.911 239 Q CB -0.103 28.632 28.738 -0.004 0.000 0.969 239 Q HN 0.615 nan 8.270 nan 0.000 0.504 240 E N 1.678 121.880 120.200 0.003 0.000 2.360 240 E HA 0.097 4.446 4.350 -0.001 0.000 0.269 240 E C -0.507 176.097 176.600 0.007 0.000 1.022 240 E CA 0.133 56.537 56.400 0.006 0.000 0.887 240 E CB 0.616 30.322 29.700 0.010 0.000 0.990 240 E HN 0.079 nan 8.360 nan 0.000 0.426 241 K N 3.187 123.591 120.400 0.007 0.000 2.267 241 K HA 0.309 4.628 4.320 -0.001 0.000 0.282 241 K C -0.065 176.540 176.600 0.009 0.000 1.078 241 K CA -0.267 56.024 56.287 0.006 0.000 0.903 241 K CB 0.551 33.053 32.500 0.004 0.000 1.111 241 K HN 0.233 nan 8.250 nan 0.000 0.475 242 L N 3.294 124.524 121.223 0.011 0.000 2.357 242 L HA 0.212 4.551 4.340 -0.001 0.000 0.273 242 L C 0.884 177.760 176.870 0.010 0.000 1.080 242 L CA -0.737 54.111 54.840 0.014 0.000 0.803 242 L CB 0.728 42.798 42.059 0.019 0.000 1.174 242 L HN 0.635 nan 8.230 nan 0.000 0.443 243 E N 2.043 122.248 120.200 0.008 0.000 2.392 243 E HA 0.286 4.635 4.350 -0.001 0.000 0.256 243 E C -2.503 174.101 176.600 0.006 0.000 1.145 243 E CA -1.956 54.446 56.400 0.004 0.000 0.929 243 E CB -0.226 29.473 29.700 -0.001 0.000 0.998 243 E HN 0.271 nan 8.360 nan 0.000 0.442 244 P HA 0.016 nan 4.420 nan 0.000 0.267 244 P C 0.643 177.946 177.300 0.006 0.000 1.200 244 P CA 1.319 64.424 63.100 0.007 0.000 0.772 244 P CB 0.602 32.305 31.700 0.005 0.000 0.855 245 G N 0.734 109.540 108.800 0.010 0.000 2.317 245 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.227 245 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.227 245 G C 0.174 175.079 174.900 0.007 0.000 1.042 245 G CA -0.113 44.990 45.100 0.005 0.000 0.623 245 G HN 0.531 nan 8.290 nan 0.000 0.509 246 K N 0.686 121.093 120.400 0.012 0.000 2.414 246 K HA 0.541 4.860 4.320 -0.001 0.000 0.272 246 K C 0.229 176.846 176.600 0.028 0.000 0.993 246 K CA 0.209 56.506 56.287 0.017 0.000 0.964 246 K CB 1.308 33.822 32.500 0.022 0.000 0.925 246 K HN 0.320 nan 8.250 nan 0.000 0.487 247 V N 3.454 123.382 119.914 0.024 0.000 2.448 247 V HA 0.293 4.412 4.120 -0.001 0.000 0.295 247 V C -0.641 175.486 176.094 0.054 0.000 1.025 247 V CA -1.076 61.251 62.300 0.044 0.000 0.859 247 V CB 1.824 33.636 31.823 -0.019 0.000 0.988 247 V HN 0.396 nan 8.190 nan 0.000 0.431 248 V N 5.600 125.569 119.914 0.092 0.000 2.383 248 V HA 0.276 4.395 4.120 -0.001 0.000 0.275 248 V C 0.150 176.313 176.094 0.116 0.000 1.036 248 V CA -0.509 61.839 62.300 0.080 0.000 0.889 248 V CB 1.678 33.538 31.823 0.061 0.000 0.985 248 V HN 0.634 nan 8.190 nan 0.000 0.459 249 V N 7.404 127.367 119.914 0.083 0.000 2.356 249 V HA 0.242 4.362 4.120 -0.001 0.000 0.258 249 V C 1.281 177.423 176.094 0.081 0.000 1.065 249 V CA -0.100 62.258 62.300 0.096 0.000 0.935 249 V CB 0.228 32.083 31.823 0.052 0.000 1.061 249 V HN 0.830 nan 8.190 nan 0.000 0.484 250 R N 2.219 122.775 120.500 0.094 0.000 2.080 250 R HA 0.145 4.484 4.340 -0.001 0.000 0.222 250 R C 0.826 177.163 176.300 0.062 0.000 1.107 250 R CA 0.723 56.858 56.100 0.058 0.000 0.980 250 R CB 0.192 30.513 30.300 0.035 0.000 0.879 250 R HN 0.588 nan 8.270 nan 0.000 0.439 251 S N -0.586 115.172 115.700 0.097 0.000 2.537 251 S HA 0.426 4.895 4.470 -0.001 0.000 0.271 251 S C -1.521 173.183 174.600 0.173 0.000 1.148 251 S CA -0.730 57.539 58.200 0.115 0.000 0.868 251 S CB 2.000 65.263 63.200 0.107 0.000 1.115 251 S HN 0.078 nan 8.310 nan 0.000 0.461 252 S N 2.669 118.462 115.700 0.156 0.000 2.513 252 S HA 0.864 5.334 4.470 -0.001 0.000 0.299 252 S C -1.176 173.552 174.600 0.212 0.000 1.087 252 S CA -0.656 57.617 58.200 0.122 0.000 1.012 252 S CB 0.927 64.142 63.200 0.026 0.000 1.044 252 S HN 0.648 nan 8.310 nan 0.000 0.485 253 F N -0.885 119.088 119.950 0.038 0.000 2.588 253 F HA 0.913 5.439 4.527 -0.002 0.000 0.314 253 F C -0.479 175.333 175.800 0.019 0.000 1.069 253 F CA -0.919 57.099 58.000 0.030 0.000 0.931 253 F CB 1.302 40.322 39.000 0.034 0.000 1.260 253 F HN 0.372 nan 8.300 nan 0.000 0.465 254 S N 1.560 117.355 115.700 0.158 0.000 2.547 254 S HA 0.600 5.069 4.470 -0.001 0.000 0.281 254 S C -1.544 173.128 174.600 0.120 0.000 1.118 254 S CA -0.673 57.565 58.200 0.064 0.000 0.947 254 S CB 1.890 65.102 63.200 0.021 0.000 1.053 254 S HN 0.624 nan 8.310 nan 0.000 0.482 255 Q N 2.216 122.076 119.800 0.100 0.000 2.309 255 Q HA 0.325 4.664 4.340 -0.001 0.000 0.254 255 Q C -1.530 174.502 176.000 0.053 0.000 0.938 255 Q CA -0.187 55.665 55.803 0.082 0.000 0.789 255 Q CB 2.012 30.811 28.738 0.102 0.000 1.313 255 Q HN 0.713 nan 8.270 nan 0.000 0.438 256 L N 4.195 125.435 121.223 0.027 0.000 2.360 256 L HA 0.347 4.686 4.340 -0.001 0.000 0.276 256 L C -0.308 176.557 176.870 -0.008 0.000 1.121 256 L CA -0.227 54.618 54.840 0.008 0.000 0.845 256 L CB 0.507 42.564 42.059 -0.003 0.000 1.143 256 L HN 0.475 nan 8.230 nan 0.000 0.452 257 L N 4.492 125.700 121.223 -0.024 0.000 2.305 257 L HA 0.221 4.560 4.340 -0.001 0.000 0.281 257 L C 0.363 177.166 176.870 -0.111 0.000 1.085 257 L CA -0.477 54.325 54.840 -0.063 0.000 0.813 257 L CB 0.839 42.851 42.059 -0.078 0.000 1.157 257 L HN 0.550 nan 8.230 nan 0.000 0.436 258 D N 4.230 124.571 120.400 -0.098 0.000 2.458 258 D HA -0.072 4.568 4.640 -0.001 0.000 0.243 258 D C 0.238 176.447 176.300 -0.153 0.000 1.146 258 D CA 0.428 54.368 54.000 -0.099 0.000 0.877 258 D CB 0.495 41.256 40.800 -0.066 0.000 1.176 258 D HN 0.540 nan 8.370 nan 0.000 0.461 259 N N 2.300 120.920 118.700 -0.134 0.000 2.696 259 N HA -0.174 4.565 4.740 -0.001 0.000 0.256 259 N C 0.092 175.427 175.510 -0.290 0.000 1.031 259 N CA 1.062 54.025 53.050 -0.145 0.000 0.730 259 N CB -1.215 37.219 38.487 -0.089 0.000 0.894 259 N HN 0.569 nan 8.380 nan 0.000 0.544 260 T N -4.621 109.729 114.554 -0.340 0.000 3.399 260 T HA 0.195 4.544 4.350 -0.001 0.000 0.305 260 T C 0.974 175.557 174.700 -0.194 0.000 0.983 260 T CA -0.470 61.281 62.100 -0.581 0.000 0.967 260 T CB 0.457 68.786 68.868 -0.898 0.000 1.186 260 T HN 0.114 nan 8.240 nan 0.000 0.504 261 E N 2.223 122.366 120.200 -0.095 0.000 2.219 261 E HA -0.175 4.174 4.350 -0.001 0.000 0.198 261 E C 1.531 178.142 176.600 0.017 0.000 0.998 261 E CA 1.508 57.891 56.400 -0.029 0.000 0.818 261 E CB -0.001 29.686 29.700 -0.022 0.000 0.741 261 E HN 0.748 nan 8.360 nan 0.000 0.477 262 D N -0.567 119.869 120.400 0.061 0.000 2.340 262 D HA -0.028 4.611 4.640 -0.001 0.000 0.220 262 D C 1.617 178.006 176.300 0.148 0.000 1.039 262 D CA 0.611 54.667 54.000 0.093 0.000 0.866 262 D CB -0.220 40.642 40.800 0.103 0.000 0.913 262 D HN 0.098 nan 8.370 nan 0.000 0.523 263 G N 1.150 110.082 108.800 0.219 0.000 2.552 263 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.216 263 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.216 263 G C 0.840 175.811 174.900 0.118 0.000 1.240 263 G CA 0.381 45.643 45.100 0.270 0.000 0.796 263 G HN 0.361 nan 8.290 nan 0.000 0.568 264 I N 0.785 121.402 120.570 0.079 0.000 2.382 264 I HA 0.362 4.531 4.170 -0.001 0.000 0.285 264 I C -1.043 175.070 176.117 -0.006 0.000 1.007 264 I CA -0.551 60.774 61.300 0.041 0.000 1.142 264 I CB 2.408 40.435 38.000 0.045 0.000 1.289 264 I HN -0.172 nan 8.210 nan 0.000 0.453 265 V N 7.498 127.401 119.914 -0.018 0.000 2.417 265 V HA 0.476 4.595 4.120 -0.001 0.000 0.291 265 V C 0.018 176.045 176.094 -0.113 0.000 1.024 265 V CA -0.480 61.785 62.300 -0.059 0.000 0.861 265 V CB 2.021 33.829 31.823 -0.025 0.000 0.985 265 V HN 0.488 nan 8.190 nan 0.000 0.436 266 L N 4.250 125.326 121.223 -0.246 0.000 2.334 266 L HA 0.985 5.324 4.340 -0.001 0.000 0.273 266 L C 0.497 177.185 176.870 -0.303 0.000 1.013 266 L CA -0.303 54.279 54.840 -0.431 0.000 0.816 266 L CB 2.028 43.456 42.059 -1.053 0.000 1.278 266 L HN 0.779 nan 8.230 nan 0.000 0.431 267 G N 1.000 109.770 108.800 -0.051 0.000 2.660 267 G HA2 0.576 4.535 3.960 -0.001 0.000 0.290 267 G HA3 0.576 4.535 3.960 -0.001 0.000 0.290 267 G C -1.910 173.168 174.900 0.296 0.000 1.432 267 G CA -0.415 44.791 45.100 0.175 0.000 0.807 267 G HN 0.239 nan 8.290 nan 0.000 0.485 268 V N 1.965 122.033 119.914 0.255 0.000 2.378 268 V HA 0.434 4.553 4.120 -0.001 0.000 0.288 268 V C -0.610 175.536 176.094 0.087 0.000 1.016 268 V CA -1.138 61.261 62.300 0.165 0.000 0.840 268 V CB 1.095 33.015 31.823 0.162 0.000 0.994 268 V HN 0.625 nan 8.190 nan 0.000 0.431 269 N N 2.447 121.163 118.700 0.025 0.000 2.485 269 N HA 0.281 5.020 4.740 -0.001 0.000 0.280 269 N C 1.289 176.764 175.510 -0.058 0.000 1.205 269 N CA -0.600 52.443 53.050 -0.012 0.000 0.959 269 N CB 0.826 39.253 38.487 -0.100 0.000 1.206 269 N HN 0.836 nan 8.380 nan 0.000 0.545 270 H N 0.087 119.162 119.070 0.009 0.000 2.489 270 H HA -0.054 4.501 4.556 -0.002 0.000 0.293 270 H C -0.181 175.137 175.328 -0.018 0.000 1.066 270 H CA 1.102 57.149 56.048 -0.001 0.000 1.305 270 H CB -0.089 29.672 29.762 -0.003 0.000 1.386 270 H HN 0.483 nan 8.280 nan 0.000 0.551 271 N N 0.442 118.755 118.700 -0.644 0.000 2.338 271 N HA 0.298 5.037 4.740 -0.001 0.000 0.251 271 N C 0.276 175.655 175.510 -0.220 0.000 1.199 271 N CA 0.255 53.065 53.050 -0.399 0.000 0.879 271 N CB 0.930 39.130 38.487 -0.479 0.000 1.159 271 N HN 0.594 nan 8.380 nan 0.000 0.514 272 G N -0.003 108.702 108.800 -0.158 0.000 2.334 272 G HA2 0.069 4.028 3.960 -0.001 0.000 0.566 272 G HA3 0.069 4.028 3.960 -0.001 0.000 0.566 272 G C -1.262 173.588 174.900 -0.084 0.000 1.413 272 G CA -1.077 43.961 45.100 -0.104 0.000 0.993 272 G HN 0.164 nan 8.290 nan 0.000 0.642 273 I N 0.969 121.486 120.570 -0.088 0.000 2.696 273 I HA 0.430 4.600 4.170 -0.001 0.000 0.284 273 I C 0.899 177.016 176.117 -0.000 0.000 1.129 273 I CA 0.255 61.536 61.300 -0.031 0.000 1.410 273 I CB 1.129 39.069 38.000 -0.100 0.000 1.399 273 I HN 0.586 nan 8.210 nan 0.000 0.579 274 T N 3.695 118.276 114.554 0.045 0.000 2.901 274 T HA 0.412 4.761 4.350 -0.001 0.000 0.293 274 T C -1.234 173.483 174.700 0.029 0.000 1.084 274 T CA -0.544 61.568 62.100 0.021 0.000 1.008 274 T CB 1.953 70.825 68.868 0.006 0.000 1.170 274 T HN 0.695 nan 8.240 nan 0.000 0.509 275 C N 1.466 120.783 119.300 0.029 0.000 2.482 275 C HA 0.666 5.125 4.460 -0.001 0.000 0.317 275 C C -1.136 173.862 174.990 0.014 0.000 1.197 275 C CA -0.384 58.663 59.018 0.048 0.000 1.432 275 C CB 0.224 28.096 27.740 0.220 0.000 2.062 275 C HN 0.973 nan 8.230 nan 0.000 0.471 276 E N 4.888 125.091 120.200 0.005 0.000 2.145 276 E HA 0.452 4.801 4.350 -0.001 0.000 0.262 276 E C -1.083 175.525 176.600 0.014 0.000 0.883 276 E CA -0.172 56.228 56.400 0.000 0.000 0.748 276 E CB 1.374 31.072 29.700 -0.004 0.000 1.140 276 E HN 0.646 nan 8.360 nan 0.000 0.417 277 L N 2.434 123.666 121.223 0.014 0.000 2.264 277 L HA 0.307 4.646 4.340 -0.001 0.000 0.289 277 L C 0.503 177.370 176.870 -0.005 0.000 1.044 277 L CA -0.530 54.322 54.840 0.019 0.000 0.807 277 L CB 1.449 43.527 42.059 0.031 0.000 1.192 277 L HN 0.409 nan 8.230 nan 0.000 0.425 278 S N 1.566 117.262 115.700 -0.007 0.000 2.585 278 S HA 0.069 4.538 4.470 -0.001 0.000 0.273 278 S C 1.151 175.695 174.600 -0.094 0.000 1.339 278 S CA -0.552 57.625 58.200 -0.037 0.000 1.028 278 S CB 0.798 63.988 63.200 -0.016 0.000 0.906 278 S HN 0.619 nan 8.310 nan 0.000 0.528 279 E N 3.171 123.311 120.200 -0.099 0.000 2.274 279 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 279 E C 1.100 177.586 176.600 -0.189 0.000 0.996 279 E CA 0.924 57.257 56.400 -0.112 0.000 0.840 279 E CB -0.410 29.242 29.700 -0.080 0.000 0.772 279 E HN 0.721 nan 8.360 nan 0.000 0.491 280 N N 0.655 119.174 118.700 -0.301 0.000 2.412 280 N HA 0.052 4.791 4.740 -0.001 0.000 0.184 280 N C 1.821 176.822 175.510 -0.849 0.000 1.101 280 N CA -0.226 52.492 53.050 -0.552 0.000 0.881 280 N CB 0.241 38.315 38.487 -0.688 0.000 0.969 280 N HN 0.047 nan 8.380 nan 0.000 0.459 281 L N 2.336 123.244 121.223 -0.525 0.000 1.997 281 L HA -0.135 4.205 4.340 -0.001 0.000 0.216 281 L C -0.601 176.116 176.870 -0.255 0.000 1.074 281 L CA 1.989 56.633 54.840 -0.326 0.000 0.763 281 L CB -1.185 40.798 42.059 -0.127 0.000 0.890 281 L HN 0.143 nan 8.230 nan 0.000 0.434 282 P HA -0.140 nan 4.420 nan 0.000 0.218 282 P C 1.491 178.752 177.300 -0.065 0.000 1.148 282 P CA 1.979 65.008 63.100 -0.118 0.000 0.822 282 P CB -0.302 31.348 31.700 -0.084 0.000 0.784 283 G N -0.995 107.730 108.800 -0.125 0.000 2.408 283 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 283 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 283 G C 1.336 176.310 174.900 0.124 0.000 1.150 283 G CA 0.398 45.492 45.100 -0.010 0.000 0.776 283 G HN 0.146 nan 8.290 nan 0.000 0.542 284 Y N 0.666 120.960 120.300 -0.010 0.000 2.242 284 Y HA 0.092 4.642 4.550 -0.001 0.000 0.291 284 Y C 2.691 178.553 175.900 -0.064 0.000 1.137 284 Y CA -0.301 57.779 58.100 -0.033 0.000 1.181 284 Y CB -0.659 37.766 38.460 -0.059 0.000 0.989 284 Y HN 0.150 nan 8.280 nan 0.000 0.527 285 I N -1.303 119.279 120.570 0.019 0.000 2.163 285 I HA -0.330 3.840 4.170 -0.001 0.000 0.240 285 I C 2.334 178.493 176.117 0.069 0.000 1.081 285 I CA 1.501 62.729 61.300 -0.120 0.000 1.353 285 I CB -0.583 37.206 38.000 -0.351 0.000 1.054 285 I HN 0.090 nan 8.210 nan 0.000 0.407 286 F N 1.724 121.664 119.950 -0.017 0.000 2.120 286 F HA -0.290 4.236 4.527 -0.001 0.000 0.300 286 F C 2.561 178.371 175.800 0.016 0.000 1.095 286 F CA 1.974 59.979 58.000 0.009 0.000 1.249 286 F CB -0.429 38.571 39.000 0.001 0.000 0.995 286 F HN -0.067 nan 8.300 nan 0.000 0.480 287 S N -0.304 115.332 115.700 -0.106 0.000 2.461 287 S HA 0.063 4.532 4.470 -0.001 0.000 0.228 287 S C 2.154 176.668 174.600 -0.142 0.000 1.005 287 S CA 0.730 58.808 58.200 -0.203 0.000 0.942 287 S CB -0.550 62.647 63.200 -0.006 0.000 0.776 287 S HN 0.597 nan 8.310 nan 0.000 0.514 288 G N 1.148 109.917 108.800 -0.053 0.000 2.441 288 G HA2 -0.019 3.940 3.960 -0.001 0.000 0.212 288 G HA3 -0.019 3.940 3.960 -0.001 0.000 0.212 288 G C 1.387 176.258 174.900 -0.047 0.000 1.164 288 G CA 0.430 45.519 45.100 -0.019 0.000 0.811 288 G HN 0.363 nan 8.290 nan 0.000 0.535 289 V N 2.113 121.997 119.914 -0.051 0.000 2.219 289 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 289 V C 3.346 179.324 176.094 -0.193 0.000 1.053 289 V CA 2.321 64.521 62.300 -0.167 0.000 1.009 289 V CB -1.267 30.480 31.823 -0.126 0.000 0.636 289 V HN 0.460 nan 8.190 nan 0.000 0.445 290 A N 1.407 124.115 122.820 -0.186 0.000 1.870 290 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 290 A C 0.892 178.395 177.584 -0.134 0.000 1.224 290 A CA 2.787 54.725 52.037 -0.166 0.000 0.650 290 A CB -2.318 16.552 19.000 -0.217 0.000 0.836 290 A HN 0.595 nan 8.150 nan 0.000 0.454 291 P HA -0.132 nan 4.420 nan 0.000 0.215 291 P C 1.670 178.907 177.300 -0.105 0.000 1.157 291 P CA 2.046 65.081 63.100 -0.109 0.000 0.874 291 P CB -0.418 31.222 31.700 -0.101 0.000 0.790 292 V N 0.404 120.252 119.914 -0.110 0.000 2.261 292 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 292 V C 2.906 178.856 176.094 -0.240 0.000 1.047 292 V CA 1.927 64.151 62.300 -0.126 0.000 1.015 292 V CB -1.464 30.319 31.823 -0.066 0.000 0.642 292 V HN -0.072 nan 8.190 nan 0.000 0.446 293 V N -0.022 119.745 119.914 -0.245 0.000 2.332 293 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 293 V C 2.624 178.639 176.094 -0.131 0.000 1.055 293 V CA 2.682 64.832 62.300 -0.249 0.000 1.038 293 V CB -1.063 30.735 31.823 -0.041 0.000 0.651 293 V HN 0.622 nan 8.190 nan 0.000 0.450 294 T N -0.792 113.724 114.554 -0.064 0.000 2.720 294 T HA -0.224 4.125 4.350 -0.001 0.000 0.268 294 T C 1.929 176.642 174.700 0.021 0.000 1.037 294 T CA 1.794 63.893 62.100 -0.002 0.000 1.144 294 T CB -0.199 68.658 68.868 -0.018 0.000 0.864 294 T HN 0.431 nan 8.240 nan 0.000 0.444 295 E N 0.862 121.044 120.200 -0.031 0.000 2.047 295 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 295 E C 2.098 178.734 176.600 0.061 0.000 0.987 295 E CA 0.803 57.211 56.400 0.014 0.000 0.799 295 E CB -0.353 29.324 29.700 -0.039 0.000 0.752 295 E HN 0.279 nan 8.360 nan 0.000 0.449 296 M N 0.062 119.609 119.600 -0.088 0.000 2.086 296 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 296 M C 1.917 178.189 176.300 -0.048 0.000 1.067 296 M CA 1.514 56.739 55.300 -0.125 0.000 1.116 296 M CB -0.547 31.780 32.600 -0.455 0.000 1.348 296 M HN 0.208 nan 8.290 nan 0.000 0.407 297 L N -1.398 119.799 121.223 -0.042 0.000 2.083 297 L HA -0.229 4.110 4.340 -0.001 0.000 0.209 297 L C 2.377 179.271 176.870 0.039 0.000 1.083 297 L CA 1.495 56.332 54.840 -0.006 0.000 0.752 297 L CB -0.896 41.179 42.059 0.026 0.000 0.899 297 L HN 0.494 nan 8.230 nan 0.000 0.433 298 W N 1.459 122.727 121.300 -0.054 0.000 2.374 298 W HA -0.199 4.461 4.660 -0.001 0.000 0.288 298 W C 2.049 178.548 176.519 -0.034 0.000 1.218 298 W CA 1.313 58.635 57.345 -0.037 0.000 1.245 298 W CB 0.003 29.441 29.460 -0.036 0.000 1.126 298 W HN 0.133 nan 8.180 nan 0.000 0.545 299 D N -0.411 120.051 120.400 0.103 0.000 2.310 299 D HA -0.119 4.520 4.640 -0.001 0.000 0.212 299 D C 0.652 176.848 176.300 -0.173 0.000 0.965 299 D CA 1.108 55.084 54.000 -0.040 0.000 0.879 299 D CB -0.307 40.542 40.800 0.082 0.000 0.921 299 D HN 0.345 nan 8.370 nan 0.000 0.510 300 N N -0.895 117.714 118.700 -0.152 0.000 2.234 300 N HA 0.246 4.985 4.740 -0.001 0.000 0.227 300 N C 0.703 176.103 175.510 -0.184 0.000 1.151 300 N CA 0.243 53.208 53.050 -0.143 0.000 0.865 300 N CB 1.318 39.756 38.487 -0.081 0.000 1.066 300 N HN -0.009 nan 8.380 nan 0.000 0.515 301 G N 0.704 109.327 108.800 -0.295 0.000 2.221 301 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.265 301 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.265 301 G C -0.312 174.498 174.900 -0.150 0.000 1.041 301 G CA 0.420 45.352 45.100 -0.280 0.000 0.807 301 G HN 0.252 nan 8.290 nan 0.000 0.502 302 L N -1.759 119.404 121.223 -0.100 0.000 2.283 302 L HA 0.762 5.101 4.340 -0.001 0.000 0.259 302 L C 0.306 177.194 176.870 0.030 0.000 1.027 302 L CA -1.215 53.603 54.840 -0.036 0.000 0.828 302 L CB 1.892 43.921 42.059 -0.049 0.000 1.380 302 L HN 0.195 nan 8.230 nan 0.000 0.425 303 Q N -0.235 119.597 119.800 0.054 0.000 2.458 303 Q HA 0.467 4.806 4.340 -0.001 0.000 0.282 303 Q C 0.675 176.755 176.000 0.135 0.000 1.106 303 Q CA -0.855 55.006 55.803 0.097 0.000 0.814 303 Q CB 2.891 31.682 28.738 0.088 0.000 1.425 303 Q HN 0.513 nan 8.270 nan 0.000 0.437 304 I N 0.479 121.158 120.570 0.182 0.000 2.264 304 I HA -0.309 3.861 4.170 -0.001 0.000 0.248 304 I C 2.067 178.381 176.117 0.329 0.000 1.111 304 I CA 1.788 63.282 61.300 0.324 0.000 1.382 304 I CB -0.237 37.895 38.000 0.220 0.000 1.060 304 I HN 0.652 nan 8.210 nan 0.000 0.418 305 S N -0.558 115.255 115.700 0.189 0.000 2.547 305 S HA -0.111 4.359 4.470 -0.001 0.000 0.235 305 S C 1.297 175.973 174.600 0.126 0.000 0.980 305 S CA 0.751 59.045 58.200 0.156 0.000 0.941 305 S CB -0.299 62.961 63.200 0.100 0.000 0.763 305 S HN 0.405 nan 8.310 nan 0.000 0.532 306 D N 1.045 121.505 120.400 0.100 0.000 2.333 306 D HA 0.172 4.811 4.640 -0.001 0.000 0.208 306 D C 0.324 176.622 176.300 -0.003 0.000 0.984 306 D CA 0.150 54.172 54.000 0.036 0.000 0.873 306 D CB 0.041 40.843 40.800 0.003 0.000 0.935 306 D HN 0.363 nan 8.370 nan 0.000 0.521 307 I N 2.365 122.941 120.570 0.010 0.000 2.533 307 I HA -0.035 4.135 4.170 -0.001 0.000 0.284 307 I C 1.286 177.339 176.117 -0.107 0.000 1.109 307 I CA 0.120 61.310 61.300 -0.184 0.000 1.412 307 I CB 0.652 38.325 38.000 -0.545 0.000 1.396 307 I HN -0.148 nan 8.210 nan 0.000 0.543 308 D N 5.591 125.882 120.400 -0.182 0.000 2.240 308 D HA 0.102 4.742 4.640 -0.001 0.000 0.206 308 D C 0.443 176.694 176.300 -0.081 0.000 0.963 308 D CA 1.073 55.024 54.000 -0.082 0.000 0.863 308 D CB 0.634 41.386 40.800 -0.080 0.000 0.973 308 D HN 0.332 nan 8.370 nan 0.000 0.501 309 L N -0.139 120.929 121.223 -0.258 0.000 2.386 309 L HA 0.403 4.742 4.340 -0.001 0.000 0.271 309 L C -1.347 175.308 176.870 -0.358 0.000 0.993 309 L CA -0.854 53.889 54.840 -0.161 0.000 0.819 309 L CB 2.221 44.245 42.059 -0.058 0.000 1.294 309 L HN -0.149 nan 8.230 nan 0.000 0.414 310 W N 2.327 123.661 121.300 0.056 0.000 2.413 310 W HA 0.586 5.246 4.660 -0.000 0.000 0.308 310 W C 0.010 176.528 176.519 -0.002 0.000 0.997 310 W CA -0.494 56.875 57.345 0.039 0.000 1.447 310 W CB 1.738 31.226 29.460 0.046 0.000 1.263 310 W HN 0.498 nan 8.180 nan 0.000 0.416 311 A N 5.116 128.032 122.820 0.160 0.000 3.004 311 A HA 0.416 4.735 4.320 -0.001 0.000 0.286 311 A C -0.062 177.436 177.584 -0.144 0.000 1.632 311 A CA -0.235 51.836 52.037 0.057 0.000 1.339 311 A CB -0.725 18.334 19.000 0.100 0.000 1.136 311 A HN 0.617 nan 8.150 nan 0.000 0.577 312 I N 1.590 122.034 120.570 -0.210 0.000 2.441 312 I HA 0.057 4.226 4.170 -0.001 0.000 0.287 312 I C 0.824 176.801 176.117 -0.232 0.000 1.049 312 I CA -0.620 60.418 61.300 -0.437 0.000 1.381 312 I CB 0.629 38.442 38.000 -0.311 0.000 1.409 312 I HN 0.664 nan 8.210 nan 0.000 0.523 313 H N 9.133 128.045 119.070 -0.262 0.000 3.145 313 H HA 0.050 4.605 4.556 -0.002 0.000 0.288 313 H C -1.999 173.271 175.328 -0.096 0.000 0.969 313 H CA -1.346 54.621 56.048 -0.135 0.000 1.444 313 H CB 0.490 30.199 29.762 -0.089 0.000 1.500 313 H HN 0.258 nan 8.280 nan 0.000 0.552 314 P HA 0.092 nan 4.420 nan 0.000 0.237 314 P C 0.621 177.559 177.300 -0.604 0.000 1.788 314 P CA 0.122 62.916 63.100 -0.510 0.000 1.061 314 P CB 0.075 31.579 31.700 -0.327 0.000 1.967 315 G N 0.729 109.225 108.800 -0.507 0.000 2.920 315 G HA2 0.374 4.333 3.960 -0.001 0.000 0.208 315 G HA3 0.374 4.333 3.960 -0.001 0.000 0.208 315 G C 0.634 175.524 174.900 -0.018 0.000 1.159 315 G CA 0.267 45.269 45.100 -0.163 0.000 0.784 315 G HN 0.696 nan 8.290 nan 0.000 0.535 316 G N -0.996 107.757 108.800 -0.078 0.000 2.345 316 G HA2 0.277 4.236 3.960 -0.001 0.000 0.310 316 G HA3 0.277 4.236 3.960 -0.001 0.000 0.310 316 G C -2.028 172.847 174.900 -0.042 0.000 1.476 316 G CA -0.081 45.012 45.100 -0.012 0.000 0.978 316 G HN -0.129 nan 8.290 nan 0.000 0.656 317 P HA -0.175 nan 4.420 nan 0.000 0.215 317 P C 1.419 178.796 177.300 0.129 0.000 1.157 317 P CA 1.604 64.822 63.100 0.198 0.000 0.874 317 P CB 0.114 31.994 31.700 0.301 0.000 0.790 318 K N -0.612 119.835 120.400 0.079 0.000 2.148 318 K HA -0.039 4.280 4.320 -0.001 0.000 0.204 318 K C 2.382 179.001 176.600 0.032 0.000 1.050 318 K CA 1.026 57.345 56.287 0.053 0.000 0.942 318 K CB -0.446 32.066 32.500 0.019 0.000 0.724 318 K HN 0.216 nan 8.250 nan 0.000 0.446 319 I N 0.945 121.525 120.570 0.016 0.000 2.202 319 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 319 I C 2.259 178.414 176.117 0.064 0.000 1.091 319 I CA 1.301 62.630 61.300 0.048 0.000 1.368 319 I CB -0.278 37.785 38.000 0.106 0.000 1.058 319 I HN 0.092 nan 8.210 nan 0.000 0.410 320 I N 0.505 121.011 120.570 -0.107 0.000 2.233 320 I HA -0.261 3.908 4.170 -0.001 0.000 0.243 320 I C 2.626 178.732 176.117 -0.019 0.000 1.093 320 I CA 1.284 62.443 61.300 -0.235 0.000 1.380 320 I CB -0.451 37.000 38.000 -0.915 0.000 1.067 320 I HN 0.262 nan 8.210 nan 0.000 0.413 321 E N 0.797 121.047 120.200 0.084 0.000 2.065 321 E HA -0.305 4.045 4.350 -0.001 0.000 0.201 321 E C 2.200 178.893 176.600 0.154 0.000 1.016 321 E CA 1.647 58.178 56.400 0.218 0.000 0.818 321 E CB 0.076 29.906 29.700 0.217 0.000 0.749 321 E HN 0.390 nan 8.360 nan 0.000 0.453 322 Q N -0.153 119.725 119.800 0.129 0.000 2.230 322 Q HA -0.011 4.328 4.340 -0.001 0.000 0.202 322 Q C 2.289 178.444 176.000 0.257 0.000 0.963 322 Q CA 0.812 56.717 55.803 0.169 0.000 0.866 322 Q CB 0.117 28.930 28.738 0.125 0.000 0.931 322 Q HN 0.173 nan 8.270 nan 0.000 0.452 323 S N 0.175 116.025 115.700 0.250 0.000 2.371 323 S HA -0.065 4.404 4.470 -0.001 0.000 0.224 323 S C 2.123 176.864 174.600 0.235 0.000 1.029 323 S CA 0.839 59.250 58.200 0.352 0.000 0.978 323 S CB 0.004 63.507 63.200 0.506 0.000 0.833 323 S HN 0.131 nan 8.310 nan 0.000 0.466 324 V N 1.694 121.703 119.914 0.159 0.000 2.307 324 V HA -0.112 4.007 4.120 -0.001 0.000 0.245 324 V C 2.471 178.615 176.094 0.083 0.000 1.045 324 V CA 1.718 64.062 62.300 0.074 0.000 1.024 324 V CB -0.553 31.339 31.823 0.115 0.000 0.651 324 V HN 0.357 nan 8.190 nan 0.000 0.449 325 R N -0.043 120.551 120.500 0.157 0.000 2.073 325 R HA -0.185 4.154 4.340 -0.001 0.000 0.234 325 R C 2.659 179.149 176.300 0.316 0.000 1.134 325 R CA 1.831 58.052 56.100 0.201 0.000 0.952 325 R CB -0.519 29.874 30.300 0.155 0.000 0.850 325 R HN 0.466 nan 8.270 nan 0.000 0.433 326 S N 0.431 116.350 115.700 0.365 0.000 2.365 326 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 326 S C 1.807 176.379 174.600 -0.046 0.000 1.039 326 S CA 1.463 59.699 58.200 0.061 0.000 1.033 326 S CB -0.184 63.001 63.200 -0.025 0.000 0.887 326 S HN 0.392 nan 8.310 nan 0.000 0.447 327 L N 0.664 121.856 121.223 -0.051 0.000 2.478 327 L HA 0.202 4.541 4.340 -0.001 0.000 0.223 327 L C 1.730 178.532 176.870 -0.113 0.000 1.140 327 L CA 0.422 55.169 54.840 -0.155 0.000 0.842 327 L CB -0.729 41.099 42.059 -0.385 0.000 0.953 327 L HN 0.560 nan 8.230 nan 0.000 0.452 328 G N 1.098 109.879 108.800 -0.032 0.000 2.225 328 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.267 328 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.267 328 G C 0.217 175.098 174.900 -0.032 0.000 1.024 328 G CA 0.283 45.382 45.100 -0.002 0.000 0.784 328 G HN 0.334 nan 8.290 nan 0.000 0.507 329 I N -0.101 120.417 120.570 -0.087 0.000 2.924 329 I HA 0.467 4.636 4.170 -0.001 0.000 0.316 329 I C 1.254 177.358 176.117 -0.021 0.000 1.014 329 I CA -0.650 60.597 61.300 -0.088 0.000 1.106 329 I CB 1.579 39.424 38.000 -0.259 0.000 1.311 329 I HN 0.188 nan 8.210 nan 0.000 0.502 330 S N 1.851 117.560 115.700 0.015 0.000 2.560 330 S HA 0.162 4.631 4.470 -0.001 0.000 0.284 330 S C 1.084 175.726 174.600 0.069 0.000 1.327 330 S CA 0.044 58.271 58.200 0.046 0.000 1.055 330 S CB 1.170 64.407 63.200 0.061 0.000 0.868 330 S HN 0.675 nan 8.310 nan 0.000 0.506 331 A N 3.998 126.867 122.820 0.081 0.000 2.019 331 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 331 A C 1.931 179.610 177.584 0.159 0.000 1.164 331 A CA 1.712 53.828 52.037 0.132 0.000 0.644 331 A CB -0.730 18.322 19.000 0.087 0.000 0.805 331 A HN 0.973 nan 8.150 nan 0.000 0.449 332 E N -0.310 119.957 120.200 0.113 0.000 2.153 332 E HA -0.088 4.261 4.350 -0.001 0.000 0.194 332 E C 1.393 178.089 176.600 0.161 0.000 0.988 332 E CA 0.678 57.150 56.400 0.120 0.000 0.811 332 E CB -0.236 29.515 29.700 0.085 0.000 0.746 332 E HN 0.622 nan 8.360 nan 0.000 0.466 333 L N -0.009 121.314 121.223 0.167 0.000 2.622 333 L HA -0.032 4.307 4.340 -0.001 0.000 0.233 333 L C 1.445 178.462 176.870 0.245 0.000 1.156 333 L CA 0.059 55.030 54.840 0.219 0.000 0.866 333 L CB 0.056 42.270 42.059 0.257 0.000 0.980 333 L HN 0.084 nan 8.230 nan 0.000 0.448 334 A N -1.218 121.749 122.820 0.244 0.000 2.564 334 A HA 0.501 4.820 4.320 -0.001 0.000 0.279 334 A C 1.972 179.755 177.584 0.331 0.000 1.232 334 A CA 0.512 52.692 52.037 0.238 0.000 0.950 334 A CB 0.015 19.148 19.000 0.222 0.000 1.138 334 A HN 0.249 nan 8.150 nan 0.000 0.526 335 A N 0.215 123.213 122.820 0.296 0.000 1.865 335 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 335 A C 2.005 179.728 177.584 0.230 0.000 1.191 335 A CA 2.000 54.205 52.037 0.279 0.000 0.623 335 A CB -0.471 18.638 19.000 0.182 0.000 0.826 335 A HN 0.494 nan 8.150 nan 0.000 0.444 336 Q N 0.190 120.093 119.800 0.171 0.000 2.112 336 Q HA -0.125 4.215 4.340 -0.001 0.000 0.206 336 Q C 2.414 178.484 176.000 0.118 0.000 0.987 336 Q CA 2.099 57.985 55.803 0.139 0.000 0.858 336 Q CB -0.411 28.399 28.738 0.119 0.000 0.905 336 Q HN 0.644 nan 8.270 nan 0.000 0.420 337 S N -0.629 115.109 115.700 0.063 0.000 2.355 337 S HA -0.127 4.342 4.470 -0.001 0.000 0.222 337 S C 1.435 175.995 174.600 -0.067 0.000 1.031 337 S CA 0.955 59.116 58.200 -0.064 0.000 0.993 337 S CB -0.453 62.625 63.200 -0.203 0.000 0.859 337 S HN 0.468 nan 8.310 nan 0.000 0.453 338 W N 1.899 123.226 121.300 0.045 0.000 2.342 338 W HA -0.138 4.521 4.660 -0.002 0.000 0.297 338 W C 2.249 178.791 176.519 0.037 0.000 1.213 338 W CA 1.035 58.401 57.345 0.035 0.000 1.251 338 W CB -0.419 29.061 29.460 0.034 0.000 1.136 338 W HN 0.365 nan 8.180 nan 0.000 0.526 339 D N -0.307 120.261 120.400 0.280 0.000 2.097 339 D HA -0.194 4.445 4.640 -0.001 0.000 0.195 339 D C 2.020 178.424 176.300 0.173 0.000 0.989 339 D CA 1.841 55.956 54.000 0.191 0.000 0.827 339 D CB -0.306 40.595 40.800 0.167 0.000 0.966 339 D HN -0.098 nan 8.370 nan 0.000 0.456 340 V N 0.997 121.034 119.914 0.204 0.000 2.287 340 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 340 V C 2.484 178.710 176.094 0.220 0.000 1.053 340 V CA 1.432 63.915 62.300 0.306 0.000 1.027 340 V CB -0.628 31.327 31.823 0.220 0.000 0.646 340 V HN 0.441 nan 8.190 nan 0.000 0.447 341 L N 0.546 121.827 121.223 0.096 0.000 2.131 341 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 341 L C 2.401 179.318 176.870 0.080 0.000 1.092 341 L CA 2.625 57.498 54.840 0.054 0.000 0.759 341 L CB -1.106 40.955 42.059 0.002 0.000 0.903 341 L HN 0.356 nan 8.230 nan 0.000 0.435 342 A N 0.002 122.880 122.820 0.097 0.000 1.968 342 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 342 A C 2.250 179.796 177.584 -0.065 0.000 1.169 342 A CA 1.102 53.169 52.037 0.050 0.000 0.638 342 A CB -0.313 18.731 19.000 0.074 0.000 0.812 342 A HN 0.505 nan 8.150 nan 0.000 0.446 343 R N -2.553 117.833 120.500 -0.190 0.000 2.254 343 R HA 0.231 4.571 4.340 -0.001 0.000 0.195 343 R C 0.267 176.077 176.300 -0.816 0.000 0.957 343 R CA 0.742 56.505 56.100 -0.561 0.000 1.024 343 R CB 0.115 29.899 30.300 -0.861 0.000 0.952 343 R HN 0.554 nan 8.270 nan 0.000 0.484 344 F N -1.101 118.851 119.950 0.004 0.000 2.925 344 F HA 0.372 4.898 4.527 -0.002 0.000 0.355 344 F C 1.138 176.893 175.800 -0.076 0.000 1.073 344 F CA 0.131 58.096 58.000 -0.058 0.000 1.127 344 F CB 0.630 39.525 39.000 -0.175 0.000 1.123 344 F HN 0.079 nan 8.300 nan 0.000 0.551 345 G N 1.609 110.463 108.800 0.091 0.000 2.698 345 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.233 345 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.233 345 G C -0.486 174.414 174.900 0.000 0.000 1.352 345 G CA -0.375 44.757 45.100 0.054 0.000 0.879 345 G HN 0.335 nan 8.290 nan 0.000 0.567 346 N N 0.510 119.208 118.700 -0.004 0.000 2.415 346 N HA 0.411 5.150 4.740 -0.001 0.000 0.246 346 N C 1.138 176.535 175.510 -0.189 0.000 1.078 346 N CA -0.169 52.813 53.050 -0.114 0.000 0.942 346 N CB 0.186 38.620 38.487 -0.088 0.000 1.140 346 N HN 0.469 nan 8.380 nan 0.000 0.501 347 M N 3.906 123.383 119.600 -0.205 0.000 2.551 347 M HA 0.050 4.530 4.480 -0.001 0.000 0.252 347 M C -0.001 176.189 176.300 -0.184 0.000 1.219 347 M CA -0.415 54.752 55.300 -0.222 0.000 0.978 347 M CB -0.023 32.370 32.600 -0.344 0.000 1.533 347 M HN 0.372 nan 8.290 nan 0.000 0.474 348 L N -1.167 119.950 121.223 -0.177 0.000 6.706 348 L HA -0.411 3.928 4.340 -0.001 0.000 0.053 348 L C 1.858 178.698 176.870 -0.049 0.000 1.950 348 L CA 2.199 56.953 54.840 -0.143 0.000 1.620 348 L CB -2.089 39.842 42.059 -0.213 0.000 2.781 348 L HN 0.542 nan 8.230 nan 0.000 1.068 349 S N -1.485 114.160 115.700 -0.092 0.000 2.440 349 S HA -0.132 4.337 4.470 -0.001 0.000 0.240 349 S C 1.623 176.204 174.600 -0.032 0.000 1.014 349 S CA 1.647 59.803 58.200 -0.073 0.000 0.980 349 S CB -0.611 62.560 63.200 -0.048 0.000 0.775 349 S HN 0.401 nan 8.310 nan 0.000 0.499 350 V N 1.776 121.667 119.914 -0.040 0.000 2.379 350 V HA -0.118 4.001 4.120 -0.001 0.000 0.245 350 V C 2.796 178.876 176.094 -0.023 0.000 1.044 350 V CA 1.723 64.007 62.300 -0.027 0.000 1.036 350 V CB -1.257 30.516 31.823 -0.083 0.000 0.664 350 V HN 0.552 nan 8.190 nan 0.000 0.453 351 S N 0.527 116.161 115.700 -0.110 0.000 2.393 351 S HA -0.323 4.147 4.470 -0.001 0.000 0.235 351 S C 1.942 176.561 174.600 0.031 0.000 1.061 351 S CA 2.167 60.293 58.200 -0.123 0.000 1.129 351 S CB -0.687 62.430 63.200 -0.138 0.000 1.011 351 S HN 0.385 nan 8.310 nan 0.000 0.436 352 L N 1.551 122.823 121.223 0.081 0.000 2.064 352 L HA -0.139 4.200 4.340 -0.001 0.000 0.216 352 L C 1.996 178.875 176.870 0.014 0.000 1.077 352 L CA 1.619 56.482 54.840 0.039 0.000 0.766 352 L CB -0.737 41.328 42.059 0.010 0.000 0.890 352 L HN 0.389 nan 8.230 nan 0.000 0.435 353 I N -2.406 118.191 120.570 0.045 0.000 2.439 353 I HA -0.287 3.882 4.170 -0.001 0.000 0.251 353 I C 2.135 178.287 176.117 0.059 0.000 1.139 353 I CA 0.718 62.032 61.300 0.023 0.000 1.438 353 I CB -0.343 37.673 38.000 0.026 0.000 1.085 353 I HN 0.143 nan 8.210 nan 0.000 0.427 354 F N 0.741 120.616 119.950 -0.126 0.000 2.146 354 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 354 F C 2.459 178.218 175.800 -0.068 0.000 1.096 354 F CA 1.205 59.124 58.000 -0.135 0.000 1.275 354 F CB -0.921 37.953 39.000 -0.211 0.000 1.008 354 F HN -0.202 nan 8.300 nan 0.000 0.480 355 V N 0.161 120.158 119.914 0.138 0.000 2.295 355 V HA -0.278 3.842 4.120 -0.001 0.000 0.246 355 V C 2.482 178.590 176.094 0.024 0.000 1.049 355 V CA 1.417 63.762 62.300 0.075 0.000 1.024 355 V CB -0.743 31.101 31.823 0.036 0.000 0.648 355 V HN 0.290 nan 8.190 nan 0.000 0.447 356 L N 0.343 121.543 121.223 -0.039 0.000 2.083 356 L HA -0.194 4.145 4.340 -0.001 0.000 0.209 356 L C 2.425 179.244 176.870 -0.085 0.000 1.083 356 L CA 2.353 57.123 54.840 -0.117 0.000 0.752 356 L CB -0.756 41.157 42.059 -0.243 0.000 0.899 356 L HN 0.549 nan 8.230 nan 0.000 0.433 357 E N -0.942 119.207 120.200 -0.085 0.000 2.072 357 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 357 E C 1.844 178.417 176.600 -0.046 0.000 0.985 357 E CA 1.727 58.069 56.400 -0.097 0.000 0.801 357 E CB 0.153 29.743 29.700 -0.183 0.000 0.750 357 E HN 0.451 nan 8.360 nan 0.000 0.452 358 T N 0.997 115.547 114.554 -0.006 0.000 2.708 358 T HA -0.176 4.173 4.350 -0.001 0.000 0.266 358 T C 1.859 176.583 174.700 0.039 0.000 1.037 358 T CA 1.710 63.830 62.100 0.033 0.000 1.146 358 T CB -0.162 68.752 68.868 0.077 0.000 0.865 358 T HN 0.223 nan 8.240 nan 0.000 0.435 359 M N 0.526 120.155 119.600 0.048 0.000 2.159 359 M HA -0.089 4.390 4.480 -0.001 0.000 0.263 359 M C 2.446 178.777 176.300 0.052 0.000 1.063 359 M CA 1.203 56.544 55.300 0.068 0.000 1.110 359 M CB -0.626 32.040 32.600 0.111 0.000 1.374 359 M HN 0.085 nan 8.290 nan 0.000 0.411 360 V N 0.418 120.347 119.914 0.025 0.000 2.343 360 V HA -0.276 3.843 4.120 -0.001 0.000 0.247 360 V C 2.238 178.339 176.094 0.012 0.000 1.051 360 V CA 1.828 64.137 62.300 0.015 0.000 1.036 360 V CB -0.746 31.067 31.823 -0.016 0.000 0.654 360 V HN 0.543 nan 8.190 nan 0.000 0.451 361 Q N 0.264 120.068 119.800 0.007 0.000 2.123 361 Q HA -0.083 4.257 4.340 -0.001 0.000 0.199 361 Q C 0.989 177.000 176.000 0.019 0.000 0.966 361 Q CA 0.798 56.606 55.803 0.007 0.000 0.845 361 Q CB 0.057 28.796 28.738 0.001 0.000 0.907 361 Q HN 0.806 nan 8.270 nan 0.000 0.439 362 Q N 0.124 119.942 119.800 0.030 0.000 2.357 362 Q HA 0.656 4.995 4.340 -0.001 0.000 0.266 362 Q C -1.271 174.754 176.000 0.041 0.000 1.021 362 Q CA -0.698 55.127 55.803 0.035 0.000 0.784 362 Q CB 1.636 30.399 28.738 0.042 0.000 1.243 362 Q HN 0.008 nan 8.270 nan 0.000 0.465 363 A N 3.208 126.049 122.820 0.035 0.000 2.450 363 A HA 0.127 4.446 4.320 -0.001 0.000 0.255 363 A C 0.890 178.498 177.584 0.039 0.000 1.096 363 A CA -0.361 51.698 52.037 0.036 0.000 0.778 363 A CB 0.309 19.325 19.000 0.027 0.000 1.031 363 A HN 0.897 nan 8.150 nan 0.000 0.494 364 E N 1.657 121.883 120.200 0.043 0.000 2.489 364 E HA 0.047 4.397 4.350 -0.001 0.000 0.193 364 E C 0.298 176.921 176.600 0.039 0.000 1.057 364 E CA 0.862 57.291 56.400 0.048 0.000 0.866 364 E CB -0.420 29.315 29.700 0.059 0.000 0.916 364 E HN 0.761 nan 8.360 nan 0.000 0.500 365 S N -1.710 114.008 115.700 0.030 0.000 2.672 365 S HA 0.694 5.163 4.470 -0.001 0.000 0.271 365 S C 0.022 174.634 174.600 0.018 0.000 1.171 365 S CA -0.380 57.834 58.200 0.024 0.000 0.817 365 S CB 0.948 64.159 63.200 0.020 0.000 1.150 365 S HN 0.122 nan 8.310 nan 0.000 0.478 366 A N 0.401 123.230 122.820 0.015 0.000 2.308 366 A HA 0.321 4.640 4.320 -0.001 0.000 0.217 366 A C 0.757 178.346 177.584 0.008 0.000 1.216 366 A CA -0.249 51.796 52.037 0.012 0.000 0.864 366 A CB -0.572 18.435 19.000 0.012 0.000 0.902 366 A HN 0.772 nan 8.150 nan 0.000 0.499 367 K N 0.346 120.749 120.400 0.006 0.000 2.295 367 K HA 0.572 4.891 4.320 -0.001 0.000 0.270 367 K C 0.037 176.637 176.600 0.001 0.000 1.011 367 K CA 0.058 56.346 56.287 0.001 0.000 0.953 367 K CB 0.765 33.263 32.500 -0.003 0.000 0.956 367 K HN 0.053 nan 8.250 nan 0.000 0.477 368 A N 4.108 126.927 122.820 -0.001 0.000 2.409 368 A HA 0.380 4.699 4.320 -0.001 0.000 0.262 368 A C 0.191 177.772 177.584 -0.005 0.000 1.113 368 A CA -0.681 51.355 52.037 -0.000 0.000 0.790 368 A CB -0.520 18.480 19.000 -0.001 0.000 1.046 368 A HN 0.895 nan 8.150 nan 0.000 0.496 369 I N 1.150 121.720 120.570 -0.001 0.000 7.932 369 I HA -0.182 3.987 4.170 -0.001 0.000 0.126 369 I C -0.012 176.091 176.117 -0.023 0.000 1.847 369 I CA 0.141 61.437 61.300 -0.007 0.000 2.038 369 I CB -1.513 36.479 38.000 -0.013 0.000 3.738 369 I HN 0.599 nan 8.210 nan 0.000 0.169 370 S N 4.761 120.447 115.700 -0.023 0.000 2.462 370 S HA 0.588 5.057 4.470 -0.001 0.000 0.294 370 S C 0.101 174.622 174.600 -0.133 0.000 1.144 370 S CA -0.602 57.565 58.200 -0.056 0.000 1.088 370 S CB 1.947 65.133 63.200 -0.023 0.000 1.009 370 S HN 0.537 nan 8.310 nan 0.000 0.484 371 T N 2.711 117.144 114.554 -0.202 0.000 2.795 371 T HA 0.679 5.028 4.350 -0.001 0.000 0.282 371 T C 0.410 174.775 174.700 -0.560 0.000 0.980 371 T CA -0.539 61.355 62.100 -0.343 0.000 1.012 371 T CB 1.313 70.028 68.868 -0.256 0.000 0.936 371 T HN 0.725 nan 8.240 nan 0.000 0.457 372 G N 0.999 109.184 108.800 -1.025 0.000 2.642 372 G HA2 0.660 4.619 3.960 -0.001 0.000 0.293 372 G HA3 0.660 4.619 3.960 -0.001 0.000 0.293 372 G C -1.591 172.574 174.900 -1.226 0.000 1.341 372 G CA -0.601 43.747 45.100 -1.252 0.000 0.916 372 G HN 0.660 nan 8.290 nan 0.000 0.474 373 V N 0.149 119.621 119.914 -0.736 0.000 2.588 373 V HA 0.772 4.891 4.120 -0.001 0.000 0.304 373 V C 0.125 176.346 176.094 0.212 0.000 1.042 373 V CA -0.670 61.507 62.300 -0.205 0.000 0.877 373 V CB 1.315 32.938 31.823 -0.332 0.000 0.996 373 V HN 1.218 nan 8.190 nan 0.000 0.425 374 A N 5.277 128.348 122.820 0.418 0.000 2.342 374 A HA 1.043 5.362 4.320 -0.001 0.000 0.323 374 A C -1.018 176.711 177.584 0.243 0.000 1.125 374 A CA -0.444 51.734 52.037 0.235 0.000 0.785 374 A CB 1.201 20.293 19.000 0.154 0.000 1.221 374 A HN 1.192 nan 8.150 nan 0.000 0.463 375 F N -0.708 119.296 119.950 0.090 0.000 2.668 375 F HA 0.913 5.439 4.527 -0.002 0.000 0.309 375 F C -0.324 175.331 175.800 -0.242 0.000 1.117 375 F CA -0.706 57.244 58.000 -0.083 0.000 0.951 375 F CB 1.097 40.143 39.000 0.078 0.000 1.323 375 F HN 0.988 nan 8.300 nan 0.000 0.451 376 A N 0.858 123.575 122.820 -0.171 0.000 2.567 376 A HA 0.889 5.208 4.320 -0.001 0.000 0.289 376 A C -2.331 174.820 177.584 -0.722 0.000 1.177 376 A CA -0.822 50.962 52.037 -0.422 0.000 0.694 376 A CB 1.293 20.099 19.000 -0.325 0.000 1.292 376 A HN 0.677 nan 8.150 nan 0.000 0.425 377 F N 0.091 120.032 119.950 -0.015 0.000 2.477 377 F HA 0.625 5.152 4.527 0.000 0.000 0.335 377 F C 0.824 176.585 175.800 -0.065 0.000 1.130 377 F CA -0.312 57.691 58.000 0.004 0.000 0.948 377 F CB 2.170 41.209 39.000 0.065 0.000 1.154 377 F HN 0.795 nan 8.300 nan 0.000 0.439 378 G N 2.240 111.095 108.800 0.092 0.000 2.552 378 G HA2 0.711 4.670 3.960 -0.001 0.000 0.324 378 G HA3 0.711 4.670 3.960 -0.001 0.000 0.324 378 G C -3.036 171.891 174.900 0.045 0.000 1.217 378 G CA -2.235 42.880 45.100 0.024 0.000 0.989 378 G HN 0.255 nan 8.290 nan 0.000 0.490 379 P HA 0.214 nan 4.420 nan 0.000 0.270 379 P C 1.103 178.405 177.300 0.002 0.000 1.227 379 P CA 1.550 64.644 63.100 -0.010 0.000 0.788 379 P CB 0.784 32.448 31.700 -0.059 0.000 0.926 380 G N -0.555 108.243 108.800 -0.004 0.000 2.347 380 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.247 380 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.247 380 G C 0.016 174.907 174.900 -0.014 0.000 1.037 380 G CA -0.031 45.063 45.100 -0.011 0.000 0.622 380 G HN 0.753 nan 8.290 nan 0.000 0.521 381 V N 0.120 120.047 119.914 0.021 0.000 3.906 381 V HA -0.110 4.009 4.120 -0.001 0.000 0.429 381 V C 0.283 176.417 176.094 0.065 0.000 0.673 381 V CA 1.342 63.677 62.300 0.058 0.000 1.832 381 V CB -1.629 30.194 31.823 0.000 0.000 2.254 381 V HN 1.268 nan 8.190 nan 0.000 0.488 382 T N 4.294 118.908 114.554 0.100 0.000 2.841 382 T HA 0.653 5.003 4.350 -0.001 0.000 0.283 382 T C -0.128 174.642 174.700 0.117 0.000 1.000 382 T CA -0.642 61.506 62.100 0.080 0.000 0.977 382 T CB 2.313 71.199 68.868 0.030 0.000 0.979 382 T HN 0.405 nan 8.240 nan 0.000 0.446 383 V N 3.078 123.056 119.914 0.105 0.000 2.406 383 V HA 0.424 4.544 4.120 -0.001 0.000 0.272 383 V C 0.050 176.115 176.094 -0.048 0.000 1.043 383 V CA -0.460 61.868 62.300 0.048 0.000 0.915 383 V CB 1.080 32.976 31.823 0.122 0.000 0.988 383 V HN 0.763 nan 8.190 nan 0.000 0.466 384 E N 2.828 122.916 120.200 -0.187 0.000 2.187 384 E HA 0.800 5.149 4.350 -0.001 0.000 0.268 384 E C 0.144 176.440 176.600 -0.508 0.000 0.896 384 E CA 0.135 56.349 56.400 -0.310 0.000 0.766 384 E CB 1.916 31.489 29.700 -0.212 0.000 1.142 384 E HN 0.875 nan 8.360 nan 0.000 0.408 385 G N 1.681 109.868 108.800 -1.022 0.000 2.489 385 G HA2 0.607 4.566 3.960 -0.001 0.000 0.305 385 G HA3 0.607 4.566 3.960 -0.001 0.000 0.305 385 G C -1.340 173.020 174.900 -0.900 0.000 1.311 385 G CA -0.455 44.018 45.100 -1.046 0.000 0.813 385 G HN 0.556 nan 8.290 nan 0.000 0.480 386 M N -1.267 118.266 119.600 -0.110 0.000 2.682 386 M HA 0.819 5.298 4.480 -0.001 0.000 0.272 386 M C -2.190 174.374 176.300 0.439 0.000 1.232 386 M CA -1.006 54.428 55.300 0.223 0.000 0.849 386 M CB 2.288 34.955 32.600 0.112 0.000 1.695 386 M HN 0.783 nan 8.290 nan 0.000 0.481 387 L N 3.237 124.654 121.223 0.322 0.000 2.296 387 L HA 0.860 5.199 4.340 -0.001 0.000 0.286 387 L C -1.621 175.347 176.870 0.162 0.000 1.023 387 L CA -0.104 54.825 54.840 0.149 0.000 0.812 387 L CB 1.219 43.318 42.059 0.067 0.000 1.223 387 L HN 0.750 nan 8.230 nan 0.000 0.421 388 F N 1.349 121.288 119.950 -0.018 0.000 2.629 388 F HA 0.789 5.315 4.527 -0.002 0.000 0.316 388 F C -1.199 174.575 175.800 -0.043 0.000 1.081 388 F CA -1.001 56.984 58.000 -0.025 0.000 0.954 388 F CB 1.286 40.271 39.000 -0.024 0.000 1.337 388 F HN 0.285 nan 8.300 nan 0.000 0.474 389 D N 1.795 122.293 120.400 0.164 0.000 2.505 389 D HA 0.504 5.143 4.640 -0.001 0.000 0.249 389 D C -0.806 175.598 176.300 0.174 0.000 1.082 389 D CA -0.053 53.986 54.000 0.064 0.000 0.839 389 D CB 2.647 43.460 40.800 0.021 0.000 1.317 389 D HN 0.566 nan 8.370 nan 0.000 0.497 390 I N 2.864 123.517 120.570 0.138 0.000 2.339 390 I HA 0.312 4.481 4.170 -0.001 0.000 0.290 390 I C 0.330 176.483 176.117 0.059 0.000 0.994 390 I CA -0.701 60.675 61.300 0.128 0.000 1.191 390 I CB 1.437 39.526 38.000 0.148 0.000 1.343 390 I HN 0.162 nan 8.210 nan 0.000 0.458 391 I N 6.858 127.455 120.570 0.045 0.000 2.452 391 I HA 0.119 4.288 4.170 -0.001 0.000 0.287 391 I C 1.210 177.340 176.117 0.021 0.000 1.079 391 I CA -0.216 61.100 61.300 0.026 0.000 1.387 391 I CB 0.673 38.686 38.000 0.021 0.000 1.404 391 I HN 0.621 nan 8.210 nan 0.000 0.522 392 R N 5.852 126.362 120.500 0.016 0.000 2.105 392 R HA 0.191 4.530 4.340 -0.001 0.000 0.214 392 R C 0.500 176.806 176.300 0.009 0.000 1.091 392 R CA 0.691 56.799 56.100 0.014 0.000 1.007 392 R CB -0.059 30.248 30.300 0.012 0.000 0.912 392 R HN 0.725 nan 8.270 nan 0.000 0.450 393 R N 0.000 120.504 120.500 0.007 0.000 2.786 393 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 393 R CA 0.000 56.103 56.100 0.005 0.000 0.921 393 R CB 0.000 30.302 30.300 0.004 0.000 0.687 393 R HN 0.000 nan 8.270 nan 0.000 0.535