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 2ahx_1_A DATA FIRST_RESID 1 DATA SEQUENCE QSVcAGTENK LSSLSDLEQQ YRALRKYYEN cEVVMGNLEI TSIEHNRDLS DATA SEQUENCE FLRSVREVTG YVLVALNQFR YLPLENLRII RGTKLYEDRY ALAIFLNYRK DATA SEQUENCE DGNFGLQELG LKNLTEILNG GVYVDQNKFL cYADTIHWQD IVRNPWPSNL DATA SEQUENCE TLVSTXXXXG cGRcHKScTG RcWGPTENHc QTLTRTVcAE QcDGRcYGPY DATA SEQUENCE VSDccHREcA GGcSGPKDTD cFAcMNFNDS GAcVTQcPQT FVYNPTTFQL DATA SEQUENCE EHNFNAKYTY GAFcVKKcPH NFVVDSSScV RAcPSSKMEV EENGIKMcKP DATA SEQUENCE cTXIcPKAcD GIGTGSLMSA QTVDSSNIDK FINcTKINGN LIFLVTGIHG DATA SEQUENCE DPYNAIEAID PEKLNVFRTV REITGFLNIQ SWPPNMTDFS VFSNLVTIGG DATA SEQUENCE RVLYSGLSLL ILKQQGITSL QFQSLKEISA GNIYITDNSN LcYYHTINWT DATA SEQUENCE TLFSTINQRI VIRDNRKAEN cTAEGMVcNH LcSSDGcWGP GPDQcLScRR DATA SEQUENCE FSRGRIcIES cNLYDGEFRE FENDSIcVEc DPQcEKMEDG LLTcHGPGPD DATA SEQUENCE NcTKcSHFKD GPNcVEKcPD GLQGANSFIF KYADPDREcH PcHPNcTQGc DATA SEQUENCE NGPTSHDcIY YPWTGH 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.993 176.000 -0.011 0.000 1.003 1 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 1 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 2 S N 0.300 116.026 115.700 0.043 0.000 2.489 2 S HA 0.748 5.218 4.470 -0.000 0.000 0.291 2 S C -0.537 174.102 174.600 0.065 0.000 1.151 2 S CA -0.344 57.877 58.200 0.035 0.000 1.082 2 S CB 1.551 64.775 63.200 0.040 0.000 1.019 2 S HN 0.145 nan 8.310 nan 0.000 0.492 3 V N 4.001 123.950 119.914 0.059 0.000 2.823 3 V HA 0.780 4.900 4.120 -0.000 0.000 0.312 3 V C -0.141 175.997 176.094 0.074 0.000 1.072 3 V CA -0.655 61.699 62.300 0.090 0.000 0.937 3 V CB 1.340 33.238 31.823 0.125 0.000 1.013 3 V HN 1.245 nan 8.190 nan 0.000 0.430 4 c N 1.688 120.327 118.600 0.065 0.000 3.285 4 c HA 0.947 5.517 4.570 -0.000 0.000 0.325 4 c C -0.012 174.074 174.090 -0.007 0.000 1.304 4 c CA -0.733 55.609 56.329 0.022 0.000 1.319 4 c CB 0.921 43.420 42.510 -0.018 0.000 1.640 4 c HN 1.351 nan 8.230 nan 0.000 0.477 5 A N 1.326 124.117 122.820 -0.048 0.000 2.322 5 A HA 0.813 5.133 4.320 -0.000 0.000 0.269 5 A C 0.680 178.141 177.584 -0.205 0.000 1.094 5 A CA 0.544 52.536 52.037 -0.076 0.000 0.807 5 A CB 0.097 19.065 19.000 -0.055 0.000 1.047 5 A HN 2.140 nan 8.150 nan 0.000 0.487 6 G N -0.479 108.228 108.800 -0.154 0.000 2.641 6 G HA2 0.587 4.547 3.960 -0.000 0.000 0.239 6 G HA3 0.587 4.547 3.960 -0.000 0.000 0.239 6 G C 0.082 174.827 174.900 -0.258 0.000 1.402 6 G CA 0.347 45.349 45.100 -0.164 0.000 1.046 6 G HN 1.300 nan 8.290 nan 0.000 0.565 7 T N -3.338 111.119 114.554 -0.160 0.000 2.916 7 T HA 0.673 5.023 4.350 -0.000 0.000 0.292 7 T C -0.529 174.137 174.700 -0.056 0.000 1.064 7 T CA -0.721 61.280 62.100 -0.165 0.000 1.011 7 T CB 2.659 71.429 68.868 -0.163 0.000 1.152 7 T HN 0.379 nan 8.240 nan 0.000 0.510 8 E N 0.246 120.446 120.200 0.000 0.000 3.729 8 E HA 0.211 4.561 4.350 -0.000 0.000 0.195 8 E C 0.171 176.843 176.600 0.120 0.000 1.005 8 E CA -0.368 56.085 56.400 0.089 0.000 1.356 8 E CB 0.244 29.988 29.700 0.075 0.000 1.138 8 E HN 0.496 nan 8.360 nan 0.000 0.450 9 N N 1.127 119.899 118.700 0.118 0.000 2.424 9 N HA -0.001 4.739 4.740 -0.000 0.000 0.178 9 N C 0.382 175.989 175.510 0.162 0.000 1.060 9 N CA 0.408 53.531 53.050 0.122 0.000 0.901 9 N CB 0.356 38.907 38.487 0.107 0.000 0.979 9 N HN 0.160 nan 8.380 nan 0.000 0.451 10 K N -0.185 120.349 120.400 0.223 0.000 1.791 10 K HA -0.224 4.096 4.320 -0.000 0.000 0.140 10 K C 0.301 177.008 176.600 0.179 0.000 1.312 10 K CA 1.331 57.785 56.287 0.279 0.000 0.382 10 K CB -1.275 31.422 32.500 0.329 0.000 0.635 10 K HN -0.016 nan 8.250 nan 0.000 0.838 11 L N 1.325 122.663 121.223 0.191 0.000 2.779 11 L HA 0.153 4.493 4.340 -0.000 0.000 0.239 11 L C 0.332 177.264 176.870 0.104 0.000 1.245 11 L CA -0.171 54.747 54.840 0.131 0.000 1.064 11 L CB 0.329 42.493 42.059 0.175 0.000 1.350 11 L HN 0.258 nan 8.230 nan 0.000 0.455 12 S N -0.494 115.269 115.700 0.104 0.000 2.437 12 S HA 0.651 5.121 4.470 -0.000 0.000 0.305 12 S C -0.198 174.455 174.600 0.088 0.000 1.109 12 S CA -0.327 57.927 58.200 0.090 0.000 1.099 12 S CB 1.139 64.394 63.200 0.092 0.000 1.004 12 S HN 0.235 nan 8.310 nan 0.000 0.475 13 S N 3.209 118.955 115.700 0.078 0.000 2.661 13 S HA 0.556 5.026 4.470 -0.000 0.000 0.285 13 S C -1.020 173.625 174.600 0.074 0.000 1.138 13 S CA -0.781 57.468 58.200 0.082 0.000 0.855 13 S CB 0.907 64.153 63.200 0.077 0.000 1.136 13 S HN 0.681 nan 8.310 nan 0.000 0.484 14 L N 2.178 123.448 121.223 0.079 0.000 2.397 14 L HA 0.212 4.552 4.340 -0.000 0.000 0.271 14 L C 1.691 178.597 176.870 0.061 0.000 1.148 14 L CA -0.266 54.615 54.840 0.067 0.000 0.825 14 L CB 1.084 43.184 42.059 0.068 0.000 1.117 14 L HN 0.983 nan 8.230 nan 0.000 0.456 15 S N 0.177 115.908 115.700 0.051 0.000 2.383 15 S HA -0.153 4.317 4.470 -0.000 0.000 0.227 15 S C 0.777 175.406 174.600 0.049 0.000 1.026 15 S CA 0.495 58.723 58.200 0.047 0.000 0.981 15 S CB -0.192 63.031 63.200 0.039 0.000 0.818 15 S HN 0.732 nan 8.310 nan 0.000 0.472 16 D N 1.700 122.129 120.400 0.048 0.000 2.416 16 D HA 0.169 4.809 4.640 -0.000 0.000 0.240 16 D C 0.977 177.316 176.300 0.064 0.000 1.250 16 D CA -0.220 53.810 54.000 0.050 0.000 0.967 16 D CB -0.111 40.714 40.800 0.042 0.000 1.059 16 D HN 0.308 nan 8.370 nan 0.000 0.512 17 L N 2.327 123.592 121.223 0.069 0.000 2.351 17 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 17 L C 2.059 178.993 176.870 0.107 0.000 1.127 17 L CA 0.921 55.813 54.840 0.088 0.000 0.786 17 L CB -0.280 41.826 42.059 0.078 0.000 0.914 17 L HN 0.377 nan 8.230 nan 0.000 0.443 18 E N 0.158 120.410 120.200 0.086 0.000 2.028 18 E HA -0.198 4.152 4.350 -0.000 0.000 0.190 18 E C 2.188 178.862 176.600 0.124 0.000 0.984 18 E CA 1.172 57.631 56.400 0.098 0.000 0.800 18 E CB -0.032 29.705 29.700 0.062 0.000 0.758 18 E HN 0.267 nan 8.360 nan 0.000 0.448 19 Q N 0.067 119.916 119.800 0.082 0.000 2.226 19 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 19 Q C 2.025 178.065 176.000 0.066 0.000 0.975 19 Q CA 1.441 57.277 55.803 0.056 0.000 0.866 19 Q CB -0.303 28.456 28.738 0.035 0.000 0.915 19 Q HN 0.336 nan 8.270 nan 0.000 0.440 20 Q N -0.156 119.708 119.800 0.106 0.000 1.993 20 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 20 Q C 1.859 177.951 176.000 0.152 0.000 0.984 20 Q CA 1.544 57.424 55.803 0.127 0.000 0.837 20 Q CB -0.591 28.234 28.738 0.144 0.000 0.902 20 Q HN 0.434 nan 8.270 nan 0.000 0.423 21 Y N 0.486 120.832 120.300 0.075 0.000 2.165 21 Y HA -0.198 4.352 4.550 -0.000 0.000 0.286 21 Y C 2.318 178.240 175.900 0.036 0.000 1.155 21 Y CA 2.146 60.301 58.100 0.092 0.000 1.164 21 Y CB -0.153 38.359 38.460 0.087 0.000 0.978 21 Y HN 0.089 nan 8.280 nan 0.000 0.513 22 R N 0.034 120.532 120.500 -0.002 0.000 2.092 22 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 22 R C 2.360 178.514 176.300 -0.243 0.000 1.119 22 R CA 1.035 57.046 56.100 -0.149 0.000 0.970 22 R CB -0.455 29.828 30.300 -0.028 0.000 0.864 22 R HN 0.461 nan 8.270 nan 0.000 0.440 23 A N 1.294 124.017 122.820 -0.162 0.000 1.845 23 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 23 A C 2.025 179.470 177.584 -0.232 0.000 1.195 23 A CA 1.370 53.262 52.037 -0.242 0.000 0.616 23 A CB -0.846 18.111 19.000 -0.071 0.000 0.832 23 A HN 0.358 nan 8.150 nan 0.000 0.443 24 L N 0.057 121.275 121.223 -0.009 0.000 1.978 24 L HA -0.252 4.088 4.340 -0.000 0.000 0.218 24 L C 2.601 179.442 176.870 -0.049 0.000 1.075 24 L CA 2.798 57.745 54.840 0.178 0.000 0.767 24 L CB -0.589 41.588 42.059 0.197 0.000 0.890 24 L HN 0.531 nan 8.230 nan 0.000 0.434 25 R N -0.427 119.740 120.500 -0.555 0.000 2.105 25 R HA -0.250 4.090 4.340 -0.000 0.000 0.239 25 R C 2.438 178.378 176.300 -0.599 0.000 1.135 25 R CA 2.058 57.483 56.100 -1.125 0.000 0.967 25 R CB -0.307 29.257 30.300 -1.227 0.000 0.861 25 R HN 0.467 nan 8.270 nan 0.000 0.442 26 K N -0.624 119.518 120.400 -0.429 0.000 2.103 26 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 26 K C 1.657 178.103 176.600 -0.255 0.000 1.052 26 K CA 1.253 57.330 56.287 -0.351 0.000 0.945 26 K CB -0.120 32.136 32.500 -0.407 0.000 0.722 26 K HN 0.288 nan 8.250 nan 0.000 0.443 27 Y N -0.852 119.330 120.300 -0.197 0.000 2.114 27 Y HA -0.201 4.349 4.550 -0.000 0.000 0.284 27 Y C 1.291 176.978 175.900 -0.356 0.000 1.119 27 Y CA 0.951 58.852 58.100 -0.331 0.000 1.108 27 Y CB 0.052 38.205 38.460 -0.511 0.000 0.995 27 Y HN 0.044 nan 8.280 nan 0.000 0.491 28 Y N 0.044 120.418 120.300 0.124 0.000 2.532 28 Y HA 0.103 4.653 4.550 -0.000 0.000 0.283 28 Y C 1.517 177.461 175.900 0.073 0.000 1.181 28 Y CA -0.473 57.690 58.100 0.104 0.000 1.256 28 Y CB -0.593 37.960 38.460 0.155 0.000 1.112 28 Y HN 0.122 nan 8.280 nan 0.000 0.521 29 E N 2.027 122.260 120.200 0.054 0.000 2.223 29 E HA -0.299 4.051 4.350 -0.000 0.000 0.249 29 E C 0.684 177.337 176.600 0.088 0.000 1.008 29 E CA 2.426 58.802 56.400 -0.041 0.000 0.975 29 E CB -0.184 29.454 29.700 -0.103 0.000 0.901 29 E HN 0.364 nan 8.360 nan 0.000 0.537 30 N N -0.646 118.090 118.700 0.059 0.000 2.275 30 N HA 0.078 4.818 4.740 -0.000 0.000 0.236 30 N C -0.886 174.669 175.510 0.075 0.000 1.154 30 N CA -0.003 53.087 53.050 0.067 0.000 0.866 30 N CB -0.143 38.364 38.487 0.034 0.000 1.093 30 N HN 0.136 nan 8.380 nan 0.000 0.515 31 c N 1.227 119.891 118.600 0.106 0.000 2.648 31 c HA 0.120 4.690 4.570 -0.000 0.000 0.415 31 c C 1.727 175.882 174.090 0.107 0.000 1.366 31 c CA 0.051 56.446 56.329 0.110 0.000 1.756 31 c CB -0.102 42.497 42.510 0.149 0.000 2.549 31 c HN 0.472 nan 8.230 nan 0.000 0.597 32 E N 2.310 122.564 120.200 0.090 0.000 2.132 32 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 32 E C -0.183 176.471 176.600 0.091 0.000 0.951 32 E CA 0.702 57.151 56.400 0.081 0.000 0.843 32 E CB 0.346 30.094 29.700 0.079 0.000 0.807 32 E HN 0.568 nan 8.360 nan 0.000 0.467 33 V N 2.603 122.586 119.914 0.115 0.000 2.334 33 V HA 0.158 4.278 4.120 -0.000 0.000 0.281 33 V C -0.377 175.776 176.094 0.099 0.000 1.016 33 V CA -0.552 61.816 62.300 0.113 0.000 0.832 33 V CB 1.625 33.560 31.823 0.187 0.000 0.999 33 V HN -0.055 nan 8.190 nan 0.000 0.439 34 V N 6.877 126.843 119.914 0.087 0.000 2.372 34 V HA 0.237 4.357 4.120 -0.000 0.000 0.261 34 V C 0.726 176.842 176.094 0.037 0.000 1.055 34 V CA -0.079 62.279 62.300 0.096 0.000 0.930 34 V CB 0.860 32.781 31.823 0.164 0.000 1.031 34 V HN 0.806 nan 8.190 nan 0.000 0.479 35 M N 5.338 124.948 119.600 0.018 0.000 3.586 35 M HA 0.451 4.931 4.480 -0.000 0.000 0.225 35 M C 0.827 177.116 176.300 -0.018 0.000 1.428 35 M CA 0.272 55.562 55.300 -0.018 0.000 1.613 35 M CB -0.307 32.269 32.600 -0.039 0.000 1.063 35 M HN 0.882 nan 8.290 nan 0.000 0.593 36 G N 0.867 109.650 108.800 -0.030 0.000 2.455 36 G HA2 0.044 4.004 3.960 -0.000 0.000 0.223 36 G HA3 0.044 4.004 3.960 -0.000 0.000 0.223 36 G C -1.475 173.356 174.900 -0.116 0.000 1.226 36 G CA -0.869 44.194 45.100 -0.063 0.000 0.948 36 G HN 0.428 nan 8.290 nan 0.000 0.478 37 N N 0.190 118.766 118.700 -0.206 0.000 2.487 37 N HA 0.540 5.280 4.740 -0.000 0.000 0.292 37 N C -0.975 174.476 175.510 -0.098 0.000 1.108 37 N CA -0.404 52.420 53.050 -0.377 0.000 0.956 37 N CB 2.320 40.280 38.487 -0.878 0.000 1.176 37 N HN 0.524 nan 8.380 nan 0.000 0.484 38 L N 1.248 122.402 121.223 -0.114 0.000 2.264 38 L HA 0.324 4.664 4.340 -0.000 0.000 0.287 38 L C -0.364 176.437 176.870 -0.114 0.000 1.039 38 L CA -0.095 54.663 54.840 -0.136 0.000 0.829 38 L CB 0.060 41.991 42.059 -0.214 0.000 1.211 38 L HN 0.414 nan 8.230 nan 0.000 0.427 39 E N 6.500 126.682 120.200 -0.030 0.000 2.129 39 E HA 0.425 4.775 4.350 -0.000 0.000 0.268 39 E C -0.982 175.631 176.600 0.021 0.000 0.900 39 E CA -0.307 56.114 56.400 0.035 0.000 0.755 39 E CB 1.909 31.676 29.700 0.111 0.000 1.117 39 E HN 0.557 nan 8.360 nan 0.000 0.410 40 I N 2.783 123.352 120.570 -0.001 0.000 2.390 40 I HA 0.254 4.424 4.170 -0.000 0.000 0.283 40 I C -0.150 176.001 176.117 0.056 0.000 1.016 40 I CA -0.284 61.046 61.300 0.050 0.000 1.151 40 I CB 1.824 39.855 38.000 0.052 0.000 1.293 40 I HN 0.343 nan 8.210 nan 0.000 0.458 41 T N 2.592 117.198 114.554 0.085 0.000 2.900 41 T HA 0.330 4.680 4.350 -0.000 0.000 0.303 41 T C 0.141 174.887 174.700 0.077 0.000 1.142 41 T CA -0.255 61.868 62.100 0.038 0.000 1.007 41 T CB 1.478 70.352 68.868 0.010 0.000 1.156 41 T HN 0.536 nan 8.240 nan 0.000 0.490 42 S N 1.404 117.124 115.700 0.033 0.000 3.614 42 S HA -0.132 4.338 4.470 -0.000 0.000 0.360 42 S C 0.085 174.749 174.600 0.107 0.000 1.023 42 S CA 0.495 58.727 58.200 0.053 0.000 1.114 42 S CB -1.791 61.447 63.200 0.063 0.000 0.907 42 S HN 0.606 nan 8.310 nan 0.000 0.470 43 I N 1.521 122.177 120.570 0.142 0.000 2.353 43 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 43 I C 0.855 177.078 176.117 0.177 0.000 0.992 43 I CA -0.600 60.844 61.300 0.240 0.000 1.268 43 I CB 1.118 39.386 38.000 0.447 0.000 1.387 43 I HN 0.247 nan 8.210 nan 0.000 0.478 44 E N 4.159 124.442 120.200 0.138 0.000 2.392 44 E HA 0.045 4.395 4.350 -0.000 0.000 0.256 44 E C 0.881 177.518 176.600 0.061 0.000 1.145 44 E CA -0.355 56.093 56.400 0.080 0.000 0.929 44 E CB 0.922 30.647 29.700 0.042 0.000 0.998 44 E HN 0.584 nan 8.360 nan 0.000 0.442 45 H N 2.193 121.143 119.070 -0.200 0.000 2.385 45 H HA -0.213 4.343 4.556 -0.000 0.000 0.291 45 H C 0.039 175.232 175.328 -0.224 0.000 1.073 45 H CA 1.461 57.272 56.048 -0.395 0.000 1.142 45 H CB 0.231 29.273 29.762 -1.200 0.000 1.377 45 H HN 0.366 nan 8.280 nan 0.000 0.567 46 N N 1.699 120.138 118.700 -0.435 0.000 2.719 46 N HA 0.114 4.854 4.740 -0.000 0.000 0.243 46 N C -0.827 174.520 175.510 -0.271 0.000 1.104 46 N CA 0.166 52.964 53.050 -0.419 0.000 0.981 46 N CB 0.671 38.917 38.487 -0.402 0.000 1.290 46 N HN 0.287 nan 8.380 nan 0.000 0.513 47 R N 1.493 121.858 120.500 -0.226 0.000 2.533 47 R HA 0.145 4.485 4.340 -0.000 0.000 0.288 47 R C -0.756 175.477 176.300 -0.112 0.000 1.039 47 R CA -0.662 55.255 56.100 -0.305 0.000 0.909 47 R CB 2.045 32.101 30.300 -0.407 0.000 1.195 47 R HN 0.488 nan 8.270 nan 0.000 0.438 48 D N 3.998 124.381 120.400 -0.028 0.000 2.348 48 D HA 0.070 4.710 4.640 -0.000 0.000 0.253 48 D C 0.034 176.378 176.300 0.075 0.000 1.161 48 D CA -0.237 53.774 54.000 0.018 0.000 0.876 48 D CB 1.389 42.210 40.800 0.035 0.000 1.160 48 D HN 0.438 nan 8.370 nan 0.000 0.459 49 L N 2.792 123.898 121.223 -0.195 0.000 3.108 49 L HA 0.040 4.380 4.340 -0.000 0.000 0.251 49 L C 1.722 178.206 176.870 -0.644 0.000 1.315 49 L CA -0.368 54.105 54.840 -0.611 0.000 1.048 49 L CB 0.210 41.861 42.059 -0.680 0.000 1.432 49 L HN 0.436 nan 8.230 nan 0.000 0.543 50 S N -0.644 114.860 115.700 -0.327 0.000 2.522 50 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 50 S C 1.663 176.163 174.600 -0.167 0.000 0.986 50 S CA 0.234 58.321 58.200 -0.188 0.000 0.929 50 S CB -0.453 62.719 63.200 -0.045 0.000 0.769 50 S HN 0.571 nan 8.310 nan 0.000 0.529 51 F N 1.267 121.197 119.950 -0.034 0.000 2.502 51 F HA 0.360 4.887 4.527 -0.000 0.000 0.298 51 F C 1.489 177.264 175.800 -0.041 0.000 1.111 51 F CA -0.101 57.880 58.000 -0.032 0.000 1.445 51 F CB -0.773 38.206 39.000 -0.035 0.000 1.081 51 F HN 0.104 nan 8.300 nan 0.000 0.558 52 L N 0.245 121.177 121.223 -0.485 0.000 2.551 52 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 52 L C 2.176 178.950 176.870 -0.161 0.000 1.153 52 L CA 0.564 55.229 54.840 -0.292 0.000 0.851 52 L CB -0.515 41.248 42.059 -0.493 0.000 0.959 52 L HN 0.126 nan 8.230 nan 0.000 0.451 53 R N -0.444 119.978 120.500 -0.130 0.000 2.316 53 R HA -0.082 4.258 4.340 -0.000 0.000 0.202 53 R C 2.418 178.695 176.300 -0.039 0.000 1.029 53 R CA 1.065 57.113 56.100 -0.087 0.000 1.018 53 R CB -0.090 30.170 30.300 -0.065 0.000 0.888 53 R HN 0.437 nan 8.270 nan 0.000 0.471 54 S N -0.214 115.489 115.700 0.005 0.000 2.395 54 S HA -0.006 4.464 4.470 -0.000 0.000 0.225 54 S C 1.054 175.669 174.600 0.024 0.000 1.027 54 S CA 0.010 58.229 58.200 0.032 0.000 0.965 54 S CB -0.111 63.136 63.200 0.078 0.000 0.812 54 S HN -0.050 nan 8.310 nan 0.000 0.482 55 V N 3.826 123.749 119.914 0.016 0.000 2.458 55 V HA 0.111 4.231 4.120 -0.000 0.000 0.287 55 V C 1.258 177.339 176.094 -0.023 0.000 1.009 55 V CA 0.066 62.372 62.300 0.009 0.000 1.091 55 V CB 0.058 31.870 31.823 -0.017 0.000 0.960 55 V HN 0.436 nan 8.190 nan 0.000 0.476 56 R N 3.009 123.507 120.500 -0.003 0.000 2.221 56 R HA 0.332 4.672 4.340 -0.000 0.000 0.195 56 R C 0.350 176.639 176.300 -0.018 0.000 0.956 56 R CA 0.313 56.401 56.100 -0.020 0.000 1.064 56 R CB 0.577 30.877 30.300 0.000 0.000 1.049 56 R HN 0.715 nan 8.270 nan 0.000 0.534 57 E N 0.371 120.572 120.200 0.001 0.000 2.340 57 E HA 0.493 4.843 4.350 -0.000 0.000 0.273 57 E C -1.340 175.261 176.600 0.003 0.000 0.891 57 E CA -0.775 55.620 56.400 -0.007 0.000 0.757 57 E CB 3.385 33.073 29.700 -0.021 0.000 1.231 57 E HN -0.282 nan 8.360 nan 0.000 0.439 58 V N 1.878 121.789 119.914 -0.005 0.000 2.488 58 V HA 0.095 4.215 4.120 -0.000 0.000 0.293 58 V C 0.996 177.085 176.094 -0.008 0.000 1.027 58 V CA -0.421 61.878 62.300 -0.001 0.000 0.862 58 V CB 1.457 33.278 31.823 -0.003 0.000 1.008 58 V HN 1.012 nan 8.190 nan 0.000 0.428 59 T N 1.231 115.773 114.554 -0.020 0.000 2.985 59 T HA 0.063 4.413 4.350 -0.000 0.000 0.266 59 T C 1.266 175.963 174.700 -0.005 0.000 1.076 59 T CA 1.092 63.176 62.100 -0.025 0.000 1.135 59 T CB 0.206 69.048 68.868 -0.043 0.000 0.890 59 T HN 0.739 nan 8.240 nan 0.000 0.480 60 G N 0.901 109.686 108.800 -0.024 0.000 3.372 60 G HA2 0.516 4.476 3.960 -0.000 0.000 0.178 60 G HA3 0.516 4.476 3.960 -0.000 0.000 0.178 60 G C -0.323 174.610 174.900 0.055 0.000 1.817 60 G CA -0.332 44.752 45.100 -0.025 0.000 0.996 60 G HN 0.649 nan 8.290 nan 0.000 0.559 61 Y N -2.263 118.090 120.300 0.089 0.000 2.659 61 Y HA 0.769 5.319 4.550 -0.000 0.000 0.333 61 Y C -0.833 175.113 175.900 0.076 0.000 1.064 61 Y CA -1.959 56.204 58.100 0.105 0.000 1.141 61 Y CB 1.403 39.962 38.460 0.165 0.000 1.316 61 Y HN 0.256 nan 8.280 nan 0.000 0.509 62 V N 2.944 123.065 119.914 0.346 0.000 2.444 62 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 62 V C -1.164 175.069 176.094 0.231 0.000 1.022 62 V CA -0.562 61.846 62.300 0.179 0.000 0.850 62 V CB 1.262 33.132 31.823 0.078 0.000 0.992 62 V HN 0.723 nan 8.190 nan 0.000 0.426 63 L N 6.931 128.252 121.223 0.164 0.000 2.333 63 L HA 0.772 5.112 4.340 -0.000 0.000 0.280 63 L C -0.684 176.126 176.870 -0.099 0.000 1.004 63 L CA -0.032 54.799 54.840 -0.016 0.000 0.820 63 L CB 1.865 43.907 42.059 -0.028 0.000 1.247 63 L HN 0.421 nan 8.230 nan 0.000 0.416 64 V N 5.378 125.181 119.914 -0.185 0.000 2.385 64 V HA 0.888 5.008 4.120 -0.000 0.000 0.277 64 V C -0.134 175.734 176.094 -0.377 0.000 1.012 64 V CA 0.011 62.215 62.300 -0.161 0.000 0.832 64 V CB 0.676 32.479 31.823 -0.033 0.000 1.028 64 V HN 0.981 nan 8.190 nan 0.000 0.436 65 A N 3.225 125.776 122.820 -0.448 0.000 2.556 65 A HA 0.892 5.212 4.320 -0.000 0.000 0.294 65 A C 0.071 177.438 177.584 -0.363 0.000 1.091 65 A CA -0.738 50.904 52.037 -0.659 0.000 0.704 65 A CB 1.413 19.672 19.000 -1.234 0.000 1.300 65 A HN 1.039 nan 8.150 nan 0.000 0.406 66 L N -0.198 120.836 121.223 -0.314 0.000 3.843 66 L HA -0.244 4.096 4.340 -0.000 0.000 0.411 66 L C 0.193 176.961 176.870 -0.169 0.000 1.205 66 L CA 0.266 54.991 54.840 -0.191 0.000 0.945 66 L CB -1.987 40.005 42.059 -0.112 0.000 1.929 66 L HN 0.736 nan 8.230 nan 0.000 0.934 67 N N 0.280 118.827 118.700 -0.254 0.000 2.485 67 N HA 0.425 5.165 4.740 -0.000 0.000 0.280 67 N C 0.641 175.965 175.510 -0.311 0.000 1.205 67 N CA -0.412 52.435 53.050 -0.338 0.000 0.959 67 N CB 1.238 39.284 38.487 -0.734 0.000 1.206 67 N HN 0.266 nan 8.380 nan 0.000 0.545 68 Q N -0.518 119.107 119.800 -0.292 0.000 2.126 68 Q HA 0.158 4.498 4.340 -0.000 0.000 0.233 68 Q C -0.272 175.700 176.000 -0.047 0.000 0.788 68 Q CA -0.283 55.469 55.803 -0.085 0.000 0.968 68 Q CB 0.291 29.073 28.738 0.074 0.000 1.163 68 Q HN 0.582 nan 8.270 nan 0.000 0.471 69 F N -0.255 119.743 119.950 0.078 0.000 2.532 69 F HA 0.172 4.699 4.527 -0.000 0.000 0.323 69 F C 1.459 177.329 175.800 0.118 0.000 1.234 69 F CA -0.487 57.550 58.000 0.062 0.000 1.323 69 F CB 0.576 39.583 39.000 0.012 0.000 1.183 69 F HN -0.215 nan 8.300 nan 0.000 0.589 70 R N 0.053 120.821 120.500 0.446 0.000 2.074 70 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 70 R C -0.632 175.936 176.300 0.446 0.000 1.137 70 R CA 0.560 56.876 56.100 0.360 0.000 0.998 70 R CB -0.212 30.239 30.300 0.252 0.000 0.895 70 R HN 0.757 nan 8.270 nan 0.000 0.442 71 Y N 0.872 121.319 120.300 0.245 0.000 2.364 71 Y HA 0.359 4.909 4.550 -0.000 0.000 0.340 71 Y C -1.188 174.736 175.900 0.040 0.000 0.975 71 Y CA -1.462 56.729 58.100 0.152 0.000 1.089 71 Y CB 1.305 39.799 38.460 0.057 0.000 1.192 71 Y HN -0.018 nan 8.280 nan 0.000 0.454 72 L N 9.507 130.444 121.223 -0.477 0.000 2.261 72 L HA 0.533 4.873 4.340 -0.000 0.000 0.289 72 L C -2.575 173.761 176.870 -0.888 0.000 1.059 72 L CA -2.408 52.109 54.840 -0.538 0.000 0.816 72 L CB 0.812 42.748 42.059 -0.205 0.000 1.191 72 L HN 0.472 nan 8.230 nan 0.000 0.431 73 P HA 0.216 nan 4.420 nan 0.000 0.225 73 P C -0.162 176.931 177.300 -0.344 0.000 1.813 73 P CA 0.336 63.180 63.100 -0.427 0.000 1.013 73 P CB -0.115 31.437 31.700 -0.247 0.000 1.961 74 L N 0.820 121.827 121.223 -0.361 0.000 3.154 74 L HA 0.207 4.547 4.340 -0.000 0.000 0.266 74 L C 1.077 177.782 176.870 -0.275 0.000 1.300 74 L CA 0.015 54.684 54.840 -0.286 0.000 1.028 74 L CB 0.064 41.956 42.059 -0.279 0.000 1.412 74 L HN 0.025 nan 8.230 nan 0.000 0.564 75 E N -0.035 120.026 120.200 -0.231 0.000 2.396 75 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 75 E C 1.194 177.676 176.600 -0.196 0.000 1.023 75 E CA 0.772 57.043 56.400 -0.215 0.000 0.857 75 E CB -0.038 29.612 29.700 -0.084 0.000 0.775 75 E HN 0.364 nan 8.360 nan 0.000 0.525 76 N N 0.056 118.656 118.700 -0.168 0.000 2.205 76 N HA 0.034 4.774 4.740 -0.000 0.000 0.201 76 N C -0.370 175.057 175.510 -0.139 0.000 1.128 76 N CA -0.160 52.805 53.050 -0.142 0.000 0.867 76 N CB 0.460 38.889 38.487 -0.098 0.000 0.996 76 N HN 0.129 nan 8.380 nan 0.000 0.503 77 L N 2.088 123.211 121.223 -0.167 0.000 2.515 77 L HA 0.134 4.474 4.340 -0.000 0.000 0.281 77 L C 1.438 178.227 176.870 -0.134 0.000 1.131 77 L CA 0.241 54.998 54.840 -0.138 0.000 0.905 77 L CB 0.476 42.442 42.059 -0.156 0.000 1.246 77 L HN -0.093 nan 8.230 nan 0.000 0.463 78 R N 4.995 125.441 120.500 -0.090 0.000 2.112 78 R HA 0.333 4.673 4.340 -0.000 0.000 0.216 78 R C 0.179 176.471 176.300 -0.013 0.000 1.080 78 R CA 0.989 57.052 56.100 -0.062 0.000 0.996 78 R CB 0.200 30.474 30.300 -0.043 0.000 0.902 78 R HN 0.671 nan 8.270 nan 0.000 0.449 79 I N -0.173 120.392 120.570 -0.009 0.000 2.841 79 I HA 0.368 4.538 4.170 -0.000 0.000 0.298 79 I C -1.745 174.379 176.117 0.010 0.000 1.304 79 I CA -1.105 60.202 61.300 0.011 0.000 1.019 79 I CB 2.114 40.121 38.000 0.013 0.000 1.282 79 I HN -0.037 nan 8.210 nan 0.000 0.432 80 I N 6.952 127.542 120.570 0.034 0.000 2.439 80 I HA 0.417 4.587 4.170 -0.000 0.000 0.283 80 I C 0.784 176.930 176.117 0.047 0.000 1.023 80 I CA -0.590 60.737 61.300 0.046 0.000 1.100 80 I CB 1.810 39.861 38.000 0.085 0.000 1.238 80 I HN 0.641 nan 8.210 nan 0.000 0.445 81 R N 3.719 124.234 120.500 0.024 0.000 2.189 81 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 81 R C 1.431 177.756 176.300 0.041 0.000 1.074 81 R CA 0.750 56.859 56.100 0.014 0.000 0.991 81 R CB -0.015 30.271 30.300 -0.023 0.000 0.883 81 R HN 0.997 nan 8.270 nan 0.000 0.457 82 G N 0.696 109.541 108.800 0.075 0.000 2.198 82 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 82 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 82 G C 0.693 175.646 174.900 0.089 0.000 1.025 82 G CA 0.751 45.916 45.100 0.108 0.000 0.769 82 G HN 0.309 nan 8.290 nan 0.000 0.507 83 T N -0.384 114.210 114.554 0.066 0.000 2.849 83 T HA 0.036 4.386 4.350 -0.000 0.000 0.270 83 T C 1.213 175.962 174.700 0.082 0.000 1.066 83 T CA 1.767 63.899 62.100 0.054 0.000 1.130 83 T CB -0.003 68.884 68.868 0.032 0.000 0.864 83 T HN 0.622 nan 8.240 nan 0.000 0.481 84 K N 0.183 120.662 120.400 0.132 0.000 2.435 84 K HA 0.656 4.976 4.320 -0.000 0.000 0.251 84 K C -1.359 175.438 176.600 0.328 0.000 0.954 84 K CA -0.662 55.746 56.287 0.200 0.000 0.820 84 K CB 2.560 35.186 32.500 0.209 0.000 1.292 84 K HN 0.012 nan 8.250 nan 0.000 0.436 85 L N 1.707 123.084 121.223 0.257 0.000 2.381 85 L HA 0.394 4.734 4.340 -0.000 0.000 0.268 85 L C -0.908 175.904 176.870 -0.097 0.000 0.997 85 L CA -1.231 53.697 54.840 0.148 0.000 0.818 85 L CB 1.306 43.379 42.059 0.023 0.000 1.310 85 L HN 0.556 nan 8.230 nan 0.000 0.416 86 Y N 3.257 123.263 120.300 -0.490 0.000 2.496 86 Y HA 0.062 4.612 4.550 -0.000 0.000 0.334 86 Y C 0.683 176.485 175.900 -0.164 0.000 1.080 86 Y CA 0.048 57.783 58.100 -0.609 0.000 1.355 86 Y CB 0.207 38.288 38.460 -0.633 0.000 1.193 86 Y HN 0.654 nan 8.280 nan 0.000 0.523 87 E N 4.033 123.768 120.200 -0.774 0.000 2.868 87 E HA -0.294 4.056 4.350 -0.000 0.000 0.278 87 E C -0.043 176.359 176.600 -0.330 0.000 1.009 87 E CA 1.185 57.253 56.400 -0.554 0.000 0.856 87 E CB -1.392 27.983 29.700 -0.541 0.000 1.428 87 E HN 0.971 nan 8.360 nan 0.000 0.423 88 D N -1.810 118.442 120.400 -0.247 0.000 3.070 88 D HA -0.257 4.383 4.640 -0.000 0.000 0.220 88 D C 1.190 177.350 176.300 -0.234 0.000 1.176 88 D CA 1.776 55.673 54.000 -0.173 0.000 0.924 88 D CB -0.735 39.980 40.800 -0.141 0.000 1.124 88 D HN 0.516 nan 8.370 nan 0.000 0.411 89 R N -1.777 118.501 120.500 -0.371 0.000 2.444 89 R HA 0.136 4.476 4.340 -0.000 0.000 0.201 89 R C 0.031 175.927 176.300 -0.674 0.000 0.861 89 R CA 0.287 55.995 56.100 -0.653 0.000 1.034 89 R CB 0.736 30.332 30.300 -1.174 0.000 1.347 89 R HN 0.114 nan 8.270 nan 0.000 0.659 90 Y N -1.130 119.168 120.300 -0.004 0.000 2.429 90 Y HA 0.505 5.055 4.550 -0.000 0.000 0.342 90 Y C 0.692 176.658 175.900 0.111 0.000 1.004 90 Y CA -0.881 57.259 58.100 0.067 0.000 1.075 90 Y CB 1.665 40.195 38.460 0.118 0.000 1.214 90 Y HN -0.077 nan 8.280 nan 0.000 0.455 91 A N 1.796 124.786 122.820 0.284 0.000 2.081 91 A HA 0.219 4.539 4.320 -0.000 0.000 0.214 91 A C -0.084 177.677 177.584 0.294 0.000 1.158 91 A CA 0.648 52.850 52.037 0.275 0.000 0.724 91 A CB 0.182 19.302 19.000 0.200 0.000 0.826 91 A HN 0.551 nan 8.150 nan 0.000 0.463 92 L N -0.656 120.728 121.223 0.268 0.000 2.441 92 L HA 0.742 5.082 4.340 -0.000 0.000 0.270 92 L C -0.744 176.224 176.870 0.163 0.000 0.973 92 L CA -0.491 54.470 54.840 0.202 0.000 0.842 92 L CB 1.536 43.698 42.059 0.172 0.000 1.239 92 L HN 0.140 nan 8.230 nan 0.000 0.406 93 A N 6.667 129.566 122.820 0.132 0.000 2.332 93 A HA 0.828 5.148 4.320 -0.000 0.000 0.300 93 A C -1.077 176.559 177.584 0.087 0.000 1.153 93 A CA -0.294 51.824 52.037 0.135 0.000 0.764 93 A CB 0.583 19.674 19.000 0.152 0.000 1.174 93 A HN 0.622 nan 8.150 nan 0.000 0.467 94 I N 3.821 124.482 120.570 0.150 0.000 2.439 94 I HA 0.600 4.770 4.170 -0.000 0.000 0.283 94 I C -1.031 175.181 176.117 0.158 0.000 1.023 94 I CA -0.435 60.885 61.300 0.032 0.000 1.100 94 I CB 1.056 39.075 38.000 0.033 0.000 1.238 94 I HN 0.704 nan 8.210 nan 0.000 0.445 95 F N 3.826 123.779 119.950 0.005 0.000 2.693 95 F HA 0.615 5.142 4.527 -0.000 0.000 0.309 95 F C -0.232 175.571 175.800 0.005 0.000 1.129 95 F CA -1.446 56.578 58.000 0.041 0.000 0.948 95 F CB 1.028 40.132 39.000 0.172 0.000 1.315 95 F HN 0.204 nan 8.300 nan 0.000 0.447 96 L N 1.369 122.733 121.223 0.235 0.000 3.660 96 L HA -0.256 4.084 4.340 -0.000 0.000 0.440 96 L C -0.481 176.259 176.870 -0.217 0.000 1.262 96 L CA 0.364 55.193 54.840 -0.018 0.000 0.837 96 L CB -1.211 40.885 42.059 0.062 0.000 1.689 96 L HN 0.742 nan 8.230 nan 0.000 0.890 97 N N 1.354 120.018 118.700 -0.060 0.000 3.271 97 N HA 0.366 5.106 4.740 -0.000 0.000 0.303 97 N C -0.744 174.830 175.510 0.107 0.000 1.415 97 N CA 0.082 53.074 53.050 -0.096 0.000 1.159 97 N CB 0.404 38.811 38.487 -0.134 0.000 1.432 97 N HN 0.516 nan 8.380 nan 0.000 0.521 98 Y N -2.431 117.900 120.300 0.050 0.000 2.521 98 Y HA 0.377 4.927 4.550 -0.000 0.000 0.328 98 Y C -0.546 175.436 175.900 0.138 0.000 1.151 98 Y CA -1.372 56.831 58.100 0.171 0.000 1.054 98 Y CB 0.754 39.365 38.460 0.251 0.000 1.338 98 Y HN -0.120 nan 8.280 nan 0.000 0.453 99 R N 3.308 123.996 120.500 0.314 0.000 2.449 99 R HA 0.178 4.518 4.340 -0.000 0.000 0.296 99 R C -0.513 175.930 176.300 0.239 0.000 1.047 99 R CA -0.518 55.691 56.100 0.182 0.000 1.018 99 R CB 0.551 30.942 30.300 0.151 0.000 0.962 99 R HN 0.588 nan 8.270 nan 0.000 0.428 100 K N 3.685 124.152 120.400 0.112 0.000 2.430 100 K HA -0.086 4.234 4.320 -0.000 0.000 0.280 100 K C -0.383 176.293 176.600 0.126 0.000 1.063 100 K CA 0.636 57.010 56.287 0.145 0.000 1.071 100 K CB 0.048 32.582 32.500 0.056 0.000 0.899 100 K HN 0.767 nan 8.250 nan 0.000 0.473 101 D N 0.651 121.143 120.400 0.152 0.000 2.848 101 D HA -0.158 4.482 4.640 -0.000 0.000 0.245 101 D C 0.105 176.436 176.300 0.051 0.000 1.122 101 D CA 1.553 55.602 54.000 0.082 0.000 0.769 101 D CB -0.700 40.128 40.800 0.047 0.000 1.025 101 D HN 0.803 nan 8.370 nan 0.000 0.423 102 G N -0.029 108.822 108.800 0.086 0.000 2.871 102 G HA2 0.506 4.466 3.960 -0.000 0.000 0.282 102 G HA3 0.506 4.466 3.960 -0.000 0.000 0.282 102 G C 0.267 175.172 174.900 0.008 0.000 1.212 102 G CA -0.227 44.858 45.100 -0.025 0.000 0.812 102 G HN 0.240 nan 8.290 nan 0.000 0.547 103 N N -1.574 116.991 118.700 -0.224 0.000 2.211 103 N HA 0.261 5.001 4.740 -0.000 0.000 0.216 103 N C -0.164 175.037 175.510 -0.515 0.000 1.240 103 N CA -0.223 52.627 53.050 -0.334 0.000 0.895 103 N CB 1.026 39.310 38.487 -0.338 0.000 1.102 103 N HN 0.288 nan 8.380 nan 0.000 0.498 104 F N 1.419 121.163 119.950 -0.344 0.000 2.450 104 F HA 0.429 4.956 4.527 -0.000 0.000 0.339 104 F C 1.236 176.944 175.800 -0.153 0.000 1.146 104 F CA -0.166 57.609 58.000 -0.376 0.000 1.267 104 F CB 1.054 39.890 39.000 -0.274 0.000 1.178 104 F HN -0.069 nan 8.300 nan 0.000 0.585 105 G N 1.926 110.796 108.800 0.118 0.000 2.368 105 G HA2 0.273 4.233 3.960 -0.000 0.000 0.303 105 G HA3 0.273 4.233 3.960 -0.000 0.000 0.303 105 G C -2.064 172.968 174.900 0.219 0.000 1.590 105 G CA -1.271 44.005 45.100 0.292 0.000 0.938 105 G HN 0.575 nan 8.290 nan 0.000 0.675 106 L N 0.822 122.138 121.223 0.155 0.000 2.540 106 L HA 0.395 4.735 4.340 -0.000 0.000 0.276 106 L C 1.402 178.429 176.870 0.261 0.000 1.212 106 L CA 1.105 56.032 54.840 0.145 0.000 0.893 106 L CB 1.111 43.196 42.059 0.043 0.000 1.138 106 L HN 0.844 nan 8.230 nan 0.000 0.491 107 Q N 2.469 122.439 119.800 0.285 0.000 2.477 107 Q HA 0.240 4.580 4.340 -0.000 0.000 0.252 107 Q C -0.153 176.056 176.000 0.348 0.000 0.869 107 Q CA 0.029 56.015 55.803 0.305 0.000 0.969 107 Q CB 0.549 29.451 28.738 0.273 0.000 1.144 107 Q HN 0.788 nan 8.270 nan 0.000 0.577 108 E N 0.256 120.684 120.200 0.381 0.000 2.340 108 E HA 0.399 4.749 4.350 -0.000 0.000 0.273 108 E C -1.549 175.243 176.600 0.320 0.000 0.891 108 E CA -0.541 56.118 56.400 0.433 0.000 0.757 108 E CB 1.699 31.704 29.700 0.507 0.000 1.231 108 E HN 0.182 nan 8.360 nan 0.000 0.439 109 L N 2.748 124.144 121.223 0.288 0.000 2.265 109 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 109 L C 0.733 177.571 176.870 -0.054 0.000 1.033 109 L CA -0.648 54.253 54.840 0.101 0.000 0.814 109 L CB 1.514 43.733 42.059 0.267 0.000 1.203 109 L HN 0.706 nan 8.230 nan 0.000 0.423 110 G N 5.037 113.574 108.800 -0.438 0.000 3.636 110 G HA2 0.388 4.348 3.960 -0.000 0.000 0.260 110 G HA3 0.388 4.348 3.960 -0.000 0.000 0.260 110 G C 0.262 174.836 174.900 -0.544 0.000 1.014 110 G CA -0.242 44.598 45.100 -0.433 0.000 1.797 110 G HN 0.542 nan 8.290 nan 0.000 0.637 111 L N 1.043 121.781 121.223 -0.809 0.000 3.084 111 L HA 0.250 4.590 4.340 -0.000 0.000 0.238 111 L C 2.014 177.976 176.870 -1.513 0.000 1.327 111 L CA -0.330 53.845 54.840 -1.108 0.000 1.094 111 L CB 0.607 41.882 42.059 -1.307 0.000 1.477 111 L HN 0.379 nan 8.230 nan 0.000 0.514 112 K N 0.666 120.467 120.400 -1.000 0.000 2.152 112 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 112 K C 0.758 177.117 176.600 -0.402 0.000 1.048 112 K CA 1.391 57.262 56.287 -0.694 0.000 0.933 112 K CB 0.303 32.519 32.500 -0.473 0.000 0.721 112 K HN 0.382 nan 8.250 nan 0.000 0.447 113 N N 0.773 119.243 118.700 -0.383 0.000 2.238 113 N HA 0.032 4.772 4.740 -0.000 0.000 0.222 113 N C -0.792 174.602 175.510 -0.194 0.000 1.133 113 N CA -0.098 52.806 53.050 -0.243 0.000 0.854 113 N CB 0.432 38.776 38.487 -0.239 0.000 1.041 113 N HN 0.069 nan 8.380 nan 0.000 0.510 114 L N 1.849 122.908 121.223 -0.273 0.000 2.404 114 L HA 0.218 4.558 4.340 -0.000 0.000 0.277 114 L C 0.966 177.840 176.870 0.007 0.000 1.184 114 L CA 0.367 55.116 54.840 -0.153 0.000 1.013 114 L CB -0.361 41.547 42.059 -0.251 0.000 1.318 114 L HN 0.081 nan 8.230 nan 0.000 0.435 115 T N -0.421 114.160 114.554 0.044 0.000 3.085 115 T HA 0.345 4.695 4.350 -0.000 0.000 0.264 115 T C 0.325 175.076 174.700 0.086 0.000 1.019 115 T CA -0.264 61.890 62.100 0.090 0.000 0.910 115 T CB -0.018 68.924 68.868 0.124 0.000 1.059 115 T HN 0.412 nan 8.240 nan 0.000 0.542 116 E N 0.727 120.976 120.200 0.080 0.000 2.294 116 E HA 0.553 4.903 4.350 -0.000 0.000 0.272 116 E C -1.686 174.962 176.600 0.081 0.000 0.896 116 E CA -0.557 55.887 56.400 0.074 0.000 0.802 116 E CB 1.227 30.964 29.700 0.061 0.000 1.267 116 E HN 0.393 nan 8.360 nan 0.000 0.406 117 I N 6.957 127.584 120.570 0.095 0.000 2.495 117 I HA 0.179 4.349 4.170 -0.000 0.000 0.277 117 I C 0.819 176.982 176.117 0.075 0.000 1.045 117 I CA -0.389 60.975 61.300 0.106 0.000 1.135 117 I CB 1.029 39.127 38.000 0.163 0.000 1.241 117 I HN 0.638 nan 8.210 nan 0.000 0.469 118 L N 3.793 125.047 121.223 0.052 0.000 2.131 118 L HA -0.084 4.256 4.340 -0.000 0.000 0.210 118 L C 0.618 177.511 176.870 0.037 0.000 1.092 118 L CA 1.325 56.184 54.840 0.032 0.000 0.759 118 L CB -0.282 41.782 42.059 0.008 0.000 0.903 118 L HN 0.617 nan 8.230 nan 0.000 0.435 119 N N -1.240 117.491 118.700 0.052 0.000 2.367 119 N HA 0.514 5.254 4.740 -0.000 0.000 0.278 119 N C -0.558 174.992 175.510 0.066 0.000 1.117 119 N CA 0.610 53.690 53.050 0.051 0.000 0.867 119 N CB 1.791 40.303 38.487 0.042 0.000 1.649 119 N HN 0.166 nan 8.380 nan 0.000 0.479 120 G N -0.039 108.792 108.800 0.051 0.000 2.712 120 G HA2 0.288 4.248 3.960 -0.000 0.000 0.683 120 G HA3 0.288 4.248 3.960 -0.000 0.000 0.683 120 G C -0.001 174.937 174.900 0.063 0.000 1.320 120 G CA -0.363 44.763 45.100 0.042 0.000 0.847 120 G HN 0.849 nan 8.290 nan 0.000 0.553 121 G N -1.893 106.939 108.800 0.053 0.000 2.583 121 G HA2 0.820 4.780 3.960 -0.000 0.000 0.280 121 G HA3 0.820 4.780 3.960 -0.000 0.000 0.280 121 G C -0.687 174.383 174.900 0.283 0.000 1.376 121 G CA 0.057 45.239 45.100 0.136 0.000 1.043 121 G HN 1.604 nan 8.290 nan 0.000 0.538 122 V N -0.291 119.789 119.914 0.277 0.000 2.623 122 V HA 0.403 4.523 4.120 -0.000 0.000 0.304 122 V C -1.680 174.407 176.094 -0.011 0.000 1.054 122 V CA -0.644 61.703 62.300 0.079 0.000 0.882 122 V CB 1.620 33.267 31.823 -0.293 0.000 1.002 122 V HN 0.667 nan 8.190 nan 0.000 0.424 123 Y N 4.493 124.580 120.300 -0.355 0.000 2.326 123 Y HA 0.742 5.292 4.550 -0.000 0.000 0.331 123 Y C -0.813 174.913 175.900 -0.290 0.000 0.962 123 Y CA -0.701 57.084 58.100 -0.525 0.000 1.167 123 Y CB 1.868 39.632 38.460 -1.159 0.000 1.148 123 Y HN 0.373 nan 8.280 nan 0.000 0.463 124 V N 6.569 126.093 119.914 -0.650 0.000 2.439 124 V HA 0.393 4.512 4.120 -0.000 0.000 0.277 124 V C -1.108 174.689 176.094 -0.494 0.000 1.008 124 V CA -0.484 61.566 62.300 -0.416 0.000 0.846 124 V CB 1.118 32.791 31.823 -0.249 0.000 1.031 124 V HN 0.787 nan 8.190 nan 0.000 0.441 125 D N 2.206 122.297 120.400 -0.515 0.000 2.639 125 D HA 0.393 5.033 4.640 -0.000 0.000 0.271 125 D C -0.387 175.880 176.300 -0.054 0.000 1.254 125 D CA -0.252 53.542 54.000 -0.342 0.000 0.810 125 D CB 2.044 42.521 40.800 -0.538 0.000 1.351 125 D HN 0.454 nan 8.370 nan 0.000 0.427 126 Q N 0.297 120.109 119.800 0.019 0.000 2.470 126 Q HA -0.160 4.180 4.340 -0.000 0.000 0.294 126 Q C -0.904 175.260 176.000 0.274 0.000 1.356 126 Q CA 0.500 56.401 55.803 0.162 0.000 0.805 126 Q CB -1.417 27.462 28.738 0.235 0.000 1.157 126 Q HN 0.309 nan 8.270 nan 0.000 0.431 127 N N 0.800 119.585 118.700 0.141 0.000 2.746 127 N HA 0.096 4.836 4.740 -0.000 0.000 0.250 127 N C 0.623 176.102 175.510 -0.052 0.000 1.146 127 N CA -0.270 52.887 53.050 0.179 0.000 0.828 127 N CB 1.248 39.811 38.487 0.127 0.000 1.158 127 N HN 0.209 nan 8.380 nan 0.000 0.519 128 K N 1.005 121.166 120.400 -0.398 0.000 2.097 128 K HA -0.151 4.169 4.320 -0.000 0.000 0.214 128 K C 0.219 176.381 176.600 -0.730 0.000 1.052 128 K CA 1.891 57.663 56.287 -0.859 0.000 0.932 128 K CB 0.010 31.506 32.500 -1.672 0.000 0.716 128 K HN 0.290 nan 8.250 nan 0.000 0.455 129 F N 0.469 120.382 119.950 -0.062 0.000 2.639 129 F HA 0.202 4.729 4.527 -0.000 0.000 0.300 129 F C 0.139 175.971 175.800 0.053 0.000 1.109 129 F CA -0.969 57.033 58.000 0.003 0.000 1.335 129 F CB 0.305 39.331 39.000 0.044 0.000 1.014 129 F HN -0.030 nan 8.300 nan 0.000 0.537 130 L N 0.841 122.151 121.223 0.145 0.000 2.367 130 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 130 L C -0.312 176.628 176.870 0.116 0.000 1.129 130 L CA -0.025 54.913 54.840 0.162 0.000 0.839 130 L CB 0.179 42.320 42.059 0.136 0.000 1.133 130 L HN 0.139 nan 8.230 nan 0.000 0.453 131 c N 3.294 121.995 118.600 0.169 0.000 2.848 131 c HA 0.548 5.118 4.570 -0.000 0.000 0.317 131 c C 0.468 174.663 174.090 0.175 0.000 1.260 131 c CA -0.325 56.020 56.329 0.025 0.000 1.656 131 c CB 1.173 43.590 42.510 -0.154 0.000 2.174 131 c HN 0.989 nan 8.230 nan 0.000 0.479 132 Y N -0.398 119.960 120.300 0.097 0.000 2.802 132 Y HA -0.407 4.143 4.550 -0.000 0.000 0.485 132 Y C 2.212 178.145 175.900 0.054 0.000 1.190 132 Y CA 1.966 60.112 58.100 0.075 0.000 2.757 132 Y CB -2.176 36.357 38.460 0.121 0.000 0.919 132 Y HN 0.789 nan 8.280 nan 0.000 0.540 133 A N 1.223 124.220 122.820 0.295 0.000 1.935 133 A HA -0.390 3.930 4.320 -0.000 0.000 0.224 133 A C 1.896 179.628 177.584 0.247 0.000 1.324 133 A CA 3.070 55.286 52.037 0.298 0.000 0.686 133 A CB -1.105 18.098 19.000 0.340 0.000 0.837 133 A HN 0.807 nan 8.150 nan 0.000 0.481 134 D N -0.690 119.811 120.400 0.167 0.000 2.351 134 D HA -0.142 4.498 4.640 -0.000 0.000 0.216 134 D C 1.639 177.980 176.300 0.069 0.000 0.968 134 D CA 1.769 55.851 54.000 0.137 0.000 0.899 134 D CB -0.918 39.916 40.800 0.055 0.000 0.907 134 D HN 0.605 nan 8.370 nan 0.000 0.514 135 T N -1.280 113.279 114.554 0.007 0.000 2.985 135 T HA 0.020 4.370 4.350 -0.000 0.000 0.266 135 T C 1.352 175.953 174.700 -0.165 0.000 1.076 135 T CA -0.303 61.761 62.100 -0.059 0.000 1.135 135 T CB -0.188 68.661 68.868 -0.032 0.000 0.890 135 T HN -0.034 nan 8.240 nan 0.000 0.480 136 I N 2.950 123.330 120.570 -0.317 0.000 2.752 136 I HA 0.087 4.257 4.170 -0.000 0.000 0.287 136 I C 0.505 176.383 176.117 -0.399 0.000 1.188 136 I CA -0.130 60.787 61.300 -0.639 0.000 1.427 136 I CB -0.181 37.005 38.000 -1.356 0.000 1.365 136 I HN 0.345 nan 8.210 nan 0.000 0.585 137 H N 6.352 125.156 119.070 -0.444 0.000 2.908 137 H HA 0.136 4.692 4.556 -0.000 0.000 0.269 137 H C 0.218 175.403 175.328 -0.237 0.000 1.303 137 H CA -0.774 55.143 56.048 -0.218 0.000 1.341 137 H CB 0.067 29.744 29.762 -0.142 0.000 1.519 137 H HN 0.460 nan 8.280 nan 0.000 0.505 138 W N 2.607 123.936 121.300 0.048 0.000 2.465 138 W HA -0.109 4.551 4.660 -0.000 0.000 0.268 138 W C 1.862 178.303 176.519 -0.130 0.000 1.242 138 W CA 0.111 57.445 57.345 -0.019 0.000 1.248 138 W CB 0.197 29.673 29.460 0.026 0.000 1.118 138 W HN 0.563 nan 8.180 nan 0.000 0.587 139 Q N -0.020 119.699 119.800 -0.135 0.000 2.234 139 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 139 Q C 1.624 177.447 176.000 -0.295 0.000 0.980 139 Q CA 1.637 57.266 55.803 -0.289 0.000 0.869 139 Q CB -0.637 27.796 28.738 -0.509 0.000 0.912 139 Q HN 0.498 nan 8.270 nan 0.000 0.436 140 D N -0.160 120.028 120.400 -0.354 0.000 2.305 140 D HA -0.018 4.622 4.640 -0.000 0.000 0.206 140 D C 1.659 177.915 176.300 -0.073 0.000 0.974 140 D CA 0.243 54.123 54.000 -0.201 0.000 0.871 140 D CB 0.321 41.007 40.800 -0.189 0.000 0.947 140 D HN 0.248 nan 8.370 nan 0.000 0.516 141 I N 0.408 120.965 120.570 -0.022 0.000 2.628 141 I HA -0.030 4.140 4.170 -0.000 0.000 0.255 141 I C 0.663 176.842 176.117 0.103 0.000 1.119 141 I CA 0.153 61.495 61.300 0.069 0.000 1.448 141 I CB 0.536 38.620 38.000 0.139 0.000 1.133 141 I HN -0.240 nan 8.210 nan 0.000 0.438 142 V N 3.136 123.123 119.914 0.121 0.000 2.397 142 V HA 0.055 4.175 4.120 -0.000 0.000 0.262 142 V C 1.490 177.598 176.094 0.023 0.000 1.047 142 V CA 0.237 62.596 62.300 0.098 0.000 1.003 142 V CB 0.597 32.486 31.823 0.110 0.000 1.037 142 V HN 0.308 nan 8.190 nan 0.000 0.480 143 R N 4.289 124.805 120.500 0.027 0.000 2.091 143 R HA -0.067 4.273 4.340 -0.000 0.000 0.238 143 R C 0.506 176.801 176.300 -0.007 0.000 1.136 143 R CA 1.309 57.413 56.100 0.007 0.000 0.959 143 R CB 0.204 30.516 30.300 0.019 0.000 0.856 143 R HN 0.722 nan 8.270 nan 0.000 0.437 144 N N 1.228 119.929 118.700 0.001 0.000 2.621 144 N HA 0.134 4.874 4.740 -0.000 0.000 0.237 144 N C -2.208 173.261 175.510 -0.068 0.000 0.997 144 N CA -1.245 51.805 53.050 0.001 0.000 0.918 144 N CB 1.823 40.345 38.487 0.058 0.000 1.122 144 N HN 0.246 nan 8.380 nan 0.000 0.510 145 P HA 0.028 nan 4.420 nan 0.000 0.249 145 P C -0.623 176.366 177.300 -0.518 0.000 1.241 145 P CA 0.180 63.018 63.100 -0.436 0.000 0.781 145 P CB 0.032 31.345 31.700 -0.645 0.000 1.088 146 W N 1.355 122.666 121.300 0.019 0.000 2.529 146 W HA 0.442 5.101 4.660 -0.000 0.000 0.321 146 W C -2.161 174.355 176.519 -0.006 0.000 1.047 146 W CA -2.495 54.855 57.345 0.008 0.000 1.216 146 W CB 0.444 29.907 29.460 0.005 0.000 1.357 146 W HN -0.164 nan 8.180 nan 0.000 0.489 147 P HA 0.096 nan 4.420 nan 0.000 0.278 147 P C 0.789 178.203 177.300 0.190 0.000 1.238 147 P CA -0.256 63.034 63.100 0.317 0.000 0.794 147 P CB 1.229 33.028 31.700 0.166 0.000 0.955 148 S N 0.869 116.687 115.700 0.196 0.000 2.442 148 S HA -0.202 4.268 4.470 -0.000 0.000 0.236 148 S C 1.706 176.342 174.600 0.059 0.000 1.007 148 S CA 1.182 59.390 58.200 0.014 0.000 0.965 148 S CB -0.961 62.233 63.200 -0.010 0.000 0.773 148 S HN 0.459 nan 8.310 nan 0.000 0.504 149 N N 1.752 120.512 118.700 0.099 0.000 2.192 149 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 149 N C 1.189 176.761 175.510 0.103 0.000 1.013 149 N CA 1.253 54.356 53.050 0.089 0.000 0.863 149 N CB -0.538 37.996 38.487 0.079 0.000 0.990 149 N HN 0.534 nan 8.380 nan 0.000 0.430 150 L N -0.921 120.353 121.223 0.085 0.000 2.627 150 L HA 0.170 4.510 4.340 -0.000 0.000 0.232 150 L C -0.134 176.854 176.870 0.196 0.000 1.150 150 L CA 0.228 55.135 54.840 0.111 0.000 0.917 150 L CB 0.012 42.030 42.059 -0.068 0.000 1.104 150 L HN 0.001 nan 8.230 nan 0.000 0.445 151 T N 1.681 116.302 114.554 0.112 0.000 3.155 151 T HA 0.410 4.760 4.350 -0.000 0.000 0.384 151 T C -0.745 173.942 174.700 -0.022 0.000 1.351 151 T CA -0.191 61.934 62.100 0.041 0.000 1.198 151 T CB 1.011 69.882 68.868 0.006 0.000 1.106 151 T HN -0.082 nan 8.240 nan 0.000 0.564 152 L N 4.595 125.786 121.223 -0.053 0.000 2.349 152 L HA 0.798 5.138 4.340 -0.000 0.000 0.278 152 L C -1.301 175.375 176.870 -0.323 0.000 0.996 152 L CA -0.626 54.136 54.840 -0.131 0.000 0.825 152 L CB 1.449 43.486 42.059 -0.037 0.000 1.243 152 L HN 0.277 nan 8.230 nan 0.000 0.412 153 V N 4.181 123.922 119.914 -0.288 0.000 2.482 153 V HA 0.739 4.859 4.120 -0.000 0.000 0.295 153 V C -0.414 175.603 176.094 -0.129 0.000 1.026 153 V CA -0.195 61.931 62.300 -0.289 0.000 0.856 153 V CB 1.664 33.276 31.823 -0.351 0.000 1.001 153 V HN 0.902 nan 8.190 nan 0.000 0.424 154 S N 3.012 118.630 115.700 -0.136 0.000 2.570 154 S HA 0.934 5.404 4.470 -0.000 0.000 0.286 154 S C -0.539 174.027 174.600 -0.058 0.000 1.099 154 S CA -0.595 57.557 58.200 -0.080 0.000 0.913 154 S CB 2.611 65.754 63.200 -0.095 0.000 1.085 154 S HN 0.582 nan 8.310 nan 0.000 0.480 161 c N 0.880 119.437 118.600 -0.072 0.000 2.365 161 c HA 0.814 5.384 4.570 -0.000 0.000 0.351 161 c C 1.724 175.730 174.090 -0.141 0.000 1.240 161 c CA 0.389 56.626 56.329 -0.154 0.000 2.062 161 c CB 0.750 43.096 42.510 -0.273 0.000 2.387 161 c HN 0.704 nan 8.230 nan 0.000 0.537 162 G N 2.353 111.081 108.800 -0.121 0.000 2.441 162 G HA2 0.389 4.348 3.960 -0.000 0.000 0.258 162 G HA3 0.389 4.348 3.960 -0.000 0.000 0.258 162 G C -0.260 174.658 174.900 0.031 0.000 1.487 162 G CA -0.288 44.835 45.100 0.038 0.000 1.058 162 G HN 0.796 nan 8.290 nan 0.000 0.552 163 R N -2.486 118.125 120.500 0.184 0.000 2.837 163 R HA 0.431 4.771 4.340 -0.000 0.000 0.271 163 R C -1.131 175.340 176.300 0.285 0.000 0.993 163 R CA -0.770 55.434 56.100 0.174 0.000 0.931 163 R CB 1.727 32.075 30.300 0.079 0.000 1.206 163 R HN 0.464 nan 8.270 nan 0.000 0.474 164 c N 1.541 120.274 118.600 0.222 0.000 2.604 164 c HA 0.146 4.716 4.570 -0.000 0.000 0.396 164 c C 0.774 174.950 174.090 0.143 0.000 1.282 164 c CA -0.371 56.074 56.329 0.193 0.000 2.292 164 c CB -0.166 42.429 42.510 0.141 0.000 2.633 164 c HN 0.619 nan 8.230 nan 0.000 0.620 165 H N 2.019 121.118 119.070 0.049 0.000 2.871 165 H HA 0.013 4.569 4.556 -0.000 0.000 0.355 165 H C 1.095 176.439 175.328 0.027 0.000 1.092 165 H CA 0.955 57.021 56.048 0.031 0.000 1.420 165 H CB 0.623 30.397 29.762 0.020 0.000 1.400 165 H HN 0.678 nan 8.280 nan 0.000 0.604 166 K N 2.179 122.463 120.400 -0.192 0.000 2.089 166 K HA -0.150 4.170 4.320 -0.000 0.000 0.210 166 K C 2.154 178.850 176.600 0.159 0.000 1.048 166 K CA 1.710 57.981 56.287 -0.028 0.000 0.926 166 K CB -0.023 32.401 32.500 -0.126 0.000 0.714 166 K HN 0.433 nan 8.250 nan 0.000 0.448 167 S N 0.163 116.126 115.700 0.439 0.000 2.462 167 S HA -0.164 4.306 4.470 -0.000 0.000 0.243 167 S C 2.007 176.680 174.600 0.123 0.000 1.003 167 S CA 1.387 59.732 58.200 0.242 0.000 0.970 167 S CB -0.407 62.877 63.200 0.139 0.000 0.762 167 S HN 0.578 nan 8.310 nan 0.000 0.510 168 c N -2.930 115.742 118.600 0.121 0.000 3.505 168 c HA 0.352 4.922 4.570 -0.000 0.000 0.571 168 c C 0.482 174.596 174.090 0.041 0.000 1.337 168 c CA -0.146 56.219 56.329 0.060 0.000 2.562 168 c CB -0.656 41.880 42.510 0.042 0.000 3.703 168 c HN 0.239 nan 8.230 nan 0.000 0.526 169 T N 1.885 116.473 114.554 0.056 0.000 0.766 169 T HA 0.245 4.595 4.350 -0.000 0.000 0.748 169 T C 1.328 176.035 174.700 0.011 0.000 0.989 169 T CA 1.951 64.073 62.100 0.036 0.000 3.951 169 T CB -1.499 67.383 68.868 0.023 0.000 2.231 169 T HN 2.394 nan 8.240 nan 0.000 0.384 170 G N 3.388 112.195 108.800 0.011 0.000 2.234 170 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.235 170 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.235 170 G C 0.058 174.928 174.900 -0.050 0.000 0.997 170 G CA 0.200 45.289 45.100 -0.019 0.000 0.623 170 G HN 0.901 nan 8.290 nan 0.000 0.514 171 R N 0.484 120.951 120.500 -0.055 0.000 2.576 171 R HA 0.552 4.892 4.340 -0.000 0.000 0.283 171 R C -0.275 175.937 176.300 -0.146 0.000 1.493 171 R CA 0.210 56.231 56.100 -0.131 0.000 1.170 171 R CB 0.873 31.099 30.300 -0.123 0.000 1.189 171 R HN 0.858 nan 8.270 nan 0.000 0.542 172 c N -1.632 116.860 118.600 -0.181 0.000 3.285 172 c HA 0.558 5.128 4.570 -0.000 0.000 0.325 172 c C 0.278 174.239 174.090 -0.215 0.000 1.304 172 c CA -1.038 55.202 56.329 -0.148 0.000 1.319 172 c CB 0.886 43.408 42.510 0.020 0.000 1.640 172 c HN 0.970 nan 8.230 nan 0.000 0.477 173 W N 1.621 122.904 121.300 -0.029 0.000 2.942 173 W HA 0.509 5.169 4.660 -0.000 0.000 0.263 173 W C 1.253 177.694 176.519 -0.130 0.000 1.296 173 W CA 0.990 58.317 57.345 -0.030 0.000 1.504 173 W CB 0.340 29.728 29.460 -0.120 0.000 1.096 173 W HN 1.254 nan 8.180 nan 0.000 0.639 174 G N -1.767 106.976 108.800 -0.095 0.000 2.548 174 G HA2 0.270 4.230 3.960 -0.000 0.000 0.301 174 G HA3 0.270 4.230 3.960 -0.000 0.000 0.301 174 G C -2.549 172.093 174.900 -0.431 0.000 1.349 174 G CA -0.745 44.005 45.100 -0.583 0.000 0.792 174 G HN -0.448 nan 8.290 nan 0.000 0.481 175 P HA 0.086 nan 4.420 nan 0.000 0.219 175 P C 0.983 178.282 177.300 -0.001 0.000 1.150 175 P CA 0.842 63.901 63.100 -0.069 0.000 0.814 175 P CB 0.015 31.712 31.700 -0.006 0.000 0.787 176 T N 1.019 115.511 114.554 -0.104 0.000 2.891 176 T HA -0.109 4.241 4.350 -0.000 0.000 0.296 176 T C 1.352 176.031 174.700 -0.036 0.000 1.025 176 T CA 0.478 62.500 62.100 -0.129 0.000 1.149 176 T CB 0.348 68.963 68.868 -0.423 0.000 1.007 176 T HN 0.235 nan 8.240 nan 0.000 0.528 177 E N 2.822 122.957 120.200 -0.109 0.000 2.058 177 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 177 E C 1.852 178.377 176.600 -0.125 0.000 0.997 177 E CA 1.244 57.448 56.400 -0.326 0.000 0.801 177 E CB -0.060 29.240 29.700 -0.666 0.000 0.746 177 E HN 0.743 nan 8.360 nan 0.000 0.450 178 N N -0.261 118.408 118.700 -0.051 0.000 2.575 178 N HA -0.148 4.592 4.740 -0.000 0.000 0.192 178 N C 0.573 176.202 175.510 0.198 0.000 1.200 178 N CA 0.695 53.769 53.050 0.041 0.000 0.897 178 N CB -0.350 38.156 38.487 0.032 0.000 0.990 178 N HN 0.399 nan 8.380 nan 0.000 0.449 179 H N -0.937 118.136 119.070 0.006 0.000 2.594 179 H HA 0.224 4.780 4.556 -0.000 0.000 0.279 179 H C -0.017 175.406 175.328 0.158 0.000 1.042 179 H CA -0.635 55.468 56.048 0.091 0.000 1.177 179 H CB 0.679 30.478 29.762 0.062 0.000 1.524 179 H HN 0.197 nan 8.280 nan 0.000 0.537 180 c N 1.666 120.366 118.600 0.166 0.000 2.652 180 c HA 0.005 4.575 4.570 -0.000 0.000 0.412 180 c C 0.994 175.143 174.090 0.099 0.000 1.294 180 c CA -0.095 56.285 56.329 0.085 0.000 2.127 180 c CB 0.553 43.086 42.510 0.038 0.000 2.691 180 c HN 0.548 nan 8.230 nan 0.000 0.615 181 Q N 1.791 121.571 119.800 -0.034 0.000 2.313 181 Q HA 0.186 4.526 4.340 -0.000 0.000 0.266 181 Q C -0.476 175.540 176.000 0.026 0.000 0.989 181 Q CA 0.544 56.324 55.803 -0.037 0.000 0.890 181 Q CB 0.643 29.190 28.738 -0.317 0.000 1.200 181 Q HN 0.798 nan 8.270 nan 0.000 0.396 182 T N 5.167 119.774 114.554 0.089 0.000 2.795 182 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 182 T C -0.125 174.611 174.700 0.060 0.000 0.980 182 T CA -0.565 61.580 62.100 0.075 0.000 1.012 182 T CB 0.521 69.452 68.868 0.104 0.000 0.936 182 T HN 0.501 nan 8.240 nan 0.000 0.457 183 L N 2.820 124.066 121.223 0.038 0.000 2.312 183 L HA 0.385 4.725 4.340 -0.000 0.000 0.281 183 L C 0.960 177.849 176.870 0.033 0.000 1.070 183 L CA -0.371 54.480 54.840 0.019 0.000 0.805 183 L CB 1.089 43.151 42.059 0.006 0.000 1.174 183 L HN 0.760 nan 8.230 nan 0.000 0.434 184 T N 0.717 115.286 114.554 0.024 0.000 3.058 184 T HA 0.137 4.487 4.350 -0.000 0.000 0.278 184 T C 1.251 175.945 174.700 -0.009 0.000 0.974 184 T CA -0.108 62.009 62.100 0.028 0.000 0.893 184 T CB 0.464 69.372 68.868 0.067 0.000 1.138 184 T HN 0.574 nan 8.240 nan 0.000 0.529 185 R N 0.782 121.266 120.500 -0.026 0.000 2.562 185 R HA 0.047 4.387 4.340 -0.000 0.000 0.191 185 R C 2.235 178.507 176.300 -0.047 0.000 0.835 185 R CA 1.039 57.116 56.100 -0.039 0.000 1.036 185 R CB -0.089 30.188 30.300 -0.038 0.000 1.437 185 R HN 0.278 nan 8.270 nan 0.000 0.654 186 T N -0.645 113.878 114.554 -0.053 0.000 2.904 186 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 186 T C 1.768 176.447 174.700 -0.035 0.000 1.059 186 T CA 1.161 63.235 62.100 -0.043 0.000 1.137 186 T CB -0.341 68.503 68.868 -0.040 0.000 0.879 186 T HN 0.139 nan 8.240 nan 0.000 0.467 187 V N -0.439 119.451 119.914 -0.041 0.000 3.380 187 V HA 0.215 4.335 4.120 -0.000 0.000 0.268 187 V C 1.389 177.425 176.094 -0.096 0.000 1.168 187 V CA -1.173 61.089 62.300 -0.062 0.000 1.156 187 V CB -2.156 29.630 31.823 -0.060 0.000 0.785 187 V HN 0.551 nan 8.190 nan 0.000 0.487 188 c N 1.631 120.180 118.600 -0.085 0.000 2.649 188 c HA 0.698 5.268 4.570 -0.000 0.000 0.377 188 c C 1.241 175.277 174.090 -0.089 0.000 1.321 188 c CA -0.187 56.082 56.329 -0.100 0.000 2.368 188 c CB 0.125 42.585 42.510 -0.084 0.000 2.597 188 c HN 0.726 nan 8.230 nan 0.000 0.678 189 A N 0.884 123.650 122.820 -0.090 0.000 2.322 189 A HA 0.312 4.632 4.320 -0.000 0.000 0.269 189 A C 0.998 178.556 177.584 -0.043 0.000 1.094 189 A CA -0.268 51.732 52.037 -0.062 0.000 0.807 189 A CB 0.112 19.085 19.000 -0.046 0.000 1.047 189 A HN 0.943 nan 8.150 nan 0.000 0.487 190 E N 0.477 120.660 120.200 -0.028 0.000 2.097 190 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 190 E C 1.747 178.336 176.600 -0.019 0.000 1.000 190 E CA 2.118 58.506 56.400 -0.020 0.000 0.804 190 E CB -0.151 29.540 29.700 -0.014 0.000 0.740 190 E HN 0.793 nan 8.360 nan 0.000 0.454 191 Q N -0.166 119.622 119.800 -0.019 0.000 2.234 191 Q HA -0.085 4.255 4.340 -0.000 0.000 0.206 191 Q C 0.341 176.325 176.000 -0.027 0.000 0.980 191 Q CA 0.581 56.373 55.803 -0.018 0.000 0.869 191 Q CB -0.199 28.530 28.738 -0.014 0.000 0.912 191 Q HN 0.244 nan 8.270 nan 0.000 0.436 192 c N 2.637 121.214 118.600 -0.039 0.000 2.633 192 c HA 0.016 4.586 4.570 -0.000 0.000 0.415 192 c C 0.080 174.148 174.090 -0.037 0.000 1.393 192 c CA -0.927 55.373 56.329 -0.049 0.000 1.700 192 c CB -0.486 41.984 42.510 -0.067 0.000 2.541 192 c HN 0.295 nan 8.230 nan 0.000 0.603 193 D N 2.572 122.949 120.400 -0.038 0.000 2.500 193 D HA 0.464 5.104 4.640 -0.000 0.000 0.219 193 D C 0.808 177.091 176.300 -0.028 0.000 1.137 193 D CA 1.090 55.075 54.000 -0.027 0.000 0.946 193 D CB 0.689 41.472 40.800 -0.029 0.000 1.022 193 D HN 0.992 nan 8.370 nan 0.000 0.518 194 G N 2.584 111.369 108.800 -0.023 0.000 2.731 194 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 194 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 194 G C -0.096 174.786 174.900 -0.030 0.000 1.349 194 G CA -0.801 44.286 45.100 -0.021 0.000 1.225 194 G HN 0.418 nan 8.290 nan 0.000 0.526 195 R N -0.276 120.202 120.500 -0.035 0.000 2.875 195 R HA 0.777 5.117 4.340 -0.000 0.000 0.251 195 R C -0.051 176.203 176.300 -0.075 0.000 1.123 195 R CA 0.012 56.085 56.100 -0.045 0.000 1.064 195 R CB 1.676 31.957 30.300 -0.032 0.000 1.205 195 R HN 1.388 nan 8.270 nan 0.000 0.503 196 c N -1.307 117.243 118.600 -0.084 0.000 3.320 196 c HA 0.498 5.068 4.570 -0.000 0.000 0.335 196 c C -0.250 173.793 174.090 -0.079 0.000 1.430 196 c CA -1.012 55.219 56.329 -0.163 0.000 1.271 196 c CB 0.373 42.759 42.510 -0.207 0.000 1.609 196 c HN 1.052 nan 8.230 nan 0.000 0.457 197 Y N -0.215 120.068 120.300 -0.029 0.000 2.557 197 Y HA 0.694 5.244 4.550 -0.000 0.000 0.247 197 Y C 0.418 176.330 175.900 0.019 0.000 1.164 197 Y CA -0.251 57.849 58.100 0.001 0.000 1.218 197 Y CB -0.127 38.333 38.460 0.001 0.000 1.210 197 Y HN 1.265 nan 8.280 nan 0.000 0.529 198 G N -0.000 108.742 108.800 -0.097 0.000 2.649 198 G HA2 0.448 4.408 3.960 -0.000 0.000 0.290 198 G HA3 0.448 4.408 3.960 -0.000 0.000 0.290 198 G C -2.895 171.889 174.900 -0.193 0.000 1.426 198 G CA -1.559 43.510 45.100 -0.052 0.000 0.794 198 G HN -0.271 nan 8.290 nan 0.000 0.483 199 P HA 0.188 nan 4.420 nan 0.000 0.249 199 P C -0.632 176.318 177.300 -0.582 0.000 1.229 199 P CA 0.348 63.152 63.100 -0.493 0.000 0.788 199 P CB -0.059 31.270 31.700 -0.619 0.000 1.072 200 Y N -2.153 118.104 120.300 -0.072 0.000 2.457 200 Y HA 0.160 4.710 4.550 -0.000 0.000 0.333 200 Y C 1.918 177.759 175.900 -0.099 0.000 1.119 200 Y CA -1.138 56.922 58.100 -0.067 0.000 1.143 200 Y CB 0.738 39.173 38.460 -0.041 0.000 1.230 200 Y HN -0.444 nan 8.280 nan 0.000 0.469 201 V N 0.449 120.424 119.914 0.101 0.000 2.317 201 V HA -0.353 3.767 4.120 -0.000 0.000 0.251 201 V C 1.978 178.066 176.094 -0.010 0.000 1.065 201 V CA 2.573 64.885 62.300 0.019 0.000 1.049 201 V CB -0.969 30.870 31.823 0.027 0.000 0.651 201 V HN 0.953 nan 8.190 nan 0.000 0.450 202 S N -0.402 115.312 115.700 0.023 0.000 2.547 202 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 202 S C 1.183 175.745 174.600 -0.064 0.000 0.980 202 S CA 1.271 59.476 58.200 0.008 0.000 0.941 202 S CB -0.414 62.809 63.200 0.037 0.000 0.763 202 S HN 0.690 nan 8.310 nan 0.000 0.532 203 D N 0.641 120.925 120.400 -0.193 0.000 2.349 203 D HA 0.197 4.837 4.640 -0.000 0.000 0.214 203 D C 0.126 176.000 176.300 -0.709 0.000 1.063 203 D CA -0.116 53.463 54.000 -0.702 0.000 0.847 203 D CB -0.247 40.181 40.800 -0.621 0.000 0.933 203 D HN 0.378 nan 8.370 nan 0.000 0.513 204 c N 1.531 119.948 118.600 -0.306 0.000 2.657 204 c HA 0.137 4.707 4.570 -0.000 0.000 0.420 204 c C 1.394 175.404 174.090 -0.133 0.000 1.323 204 c CA -0.859 55.352 56.329 -0.196 0.000 1.894 204 c CB -0.133 42.315 42.510 -0.104 0.000 2.681 204 c HN 0.344 nan 8.230 nan 0.000 0.613 205 c N 1.697 120.245 118.600 -0.087 0.000 2.403 205 c HA 0.309 4.879 4.570 -0.000 0.000 0.361 205 c C 0.706 174.816 174.090 0.033 0.000 1.274 205 c CA -0.319 56.010 56.329 0.001 0.000 2.433 205 c CB -0.221 42.275 42.510 -0.023 0.000 2.323 205 c HN 0.958 nan 8.230 nan 0.000 0.614 206 H N 0.324 119.387 119.070 -0.011 0.000 2.771 206 H HA 0.108 4.664 4.556 -0.000 0.000 0.364 206 H C 1.496 176.822 175.328 -0.003 0.000 1.133 206 H CA 0.456 56.505 56.048 0.003 0.000 1.423 206 H CB 0.601 30.370 29.762 0.012 0.000 1.425 206 H HN 0.524 nan 8.280 nan 0.000 0.606 207 R N 1.294 121.657 120.500 -0.228 0.000 2.113 207 R HA -0.157 4.183 4.340 -0.000 0.000 0.244 207 R C 1.169 177.538 176.300 0.114 0.000 1.142 207 R CA 1.829 57.899 56.100 -0.051 0.000 0.953 207 R CB -0.009 30.226 30.300 -0.107 0.000 0.860 207 R HN 0.714 nan 8.270 nan 0.000 0.438 208 E N -0.147 120.253 120.200 0.333 0.000 2.512 208 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 208 E C -0.113 176.537 176.600 0.084 0.000 1.083 208 E CA 0.201 56.709 56.400 0.180 0.000 0.873 208 E CB -0.248 29.554 29.700 0.169 0.000 0.897 208 E HN 0.239 nan 8.360 nan 0.000 0.514 209 c N 1.688 120.340 118.600 0.086 0.000 2.325 209 c HA 0.627 5.197 4.570 -0.000 0.000 0.347 209 c C 0.788 174.877 174.090 -0.002 0.000 1.263 209 c CA -0.756 55.585 56.329 0.020 0.000 1.806 209 c CB -0.130 42.380 42.510 0.000 0.000 2.405 209 c HN 0.299 nan 8.230 nan 0.000 0.537 210 A N 3.003 125.822 122.820 -0.003 0.000 2.325 210 A HA 0.740 5.060 4.320 -0.000 0.000 0.333 210 A C 1.042 178.653 177.584 0.045 0.000 1.155 210 A CA 0.465 52.507 52.037 0.008 0.000 0.814 210 A CB 0.454 19.451 19.000 -0.005 0.000 1.206 210 A HN 1.939 nan 8.150 nan 0.000 0.482 211 G N 0.358 109.197 108.800 0.064 0.000 2.550 211 G HA2 0.242 4.202 3.960 -0.000 0.000 0.233 211 G HA3 0.242 4.202 3.960 -0.000 0.000 0.233 211 G C 1.518 176.521 174.900 0.171 0.000 1.170 211 G CA 1.019 46.205 45.100 0.142 0.000 0.693 211 G HN 2.997 nan 8.290 nan 0.000 0.512 212 G N -2.095 106.697 108.800 -0.014 0.000 2.362 212 G HA2 0.580 4.540 3.960 -0.000 0.000 0.288 212 G HA3 0.580 4.540 3.960 -0.000 0.000 0.288 212 G C -0.166 174.146 174.900 -0.981 0.000 1.305 212 G CA 0.845 45.760 45.100 -0.308 0.000 0.910 212 G HN 2.380 nan 8.290 nan 0.000 0.518 213 c N -2.303 115.577 118.600 -1.200 0.000 3.321 213 c HA 0.910 5.480 4.570 -0.000 0.000 0.329 213 c C 0.987 174.686 174.090 -0.653 0.000 1.394 213 c CA 0.297 56.019 56.329 -1.012 0.000 1.291 213 c CB 1.232 43.574 42.510 -0.280 0.000 1.606 213 c HN 2.260 nan 8.230 nan 0.000 0.463 214 S N -0.427 115.098 115.700 -0.292 0.000 2.749 214 S HA 0.652 5.122 4.470 -0.000 0.000 0.246 214 S C 0.266 174.737 174.600 -0.216 0.000 1.023 214 S CA 0.438 58.537 58.200 -0.169 0.000 1.012 214 S CB -0.090 63.166 63.200 0.094 0.000 0.942 214 S HN 2.372 nan 8.310 nan 0.000 0.531 215 G N 1.617 110.352 108.800 -0.107 0.000 2.495 215 G HA2 0.550 4.510 3.960 -0.000 0.000 0.294 215 G HA3 0.550 4.510 3.960 -0.000 0.000 0.294 215 G C -2.955 172.038 174.900 0.154 0.000 1.397 215 G CA -0.795 44.311 45.100 0.011 0.000 0.790 215 G HN -0.074 nan 8.290 nan 0.000 0.486 216 P HA 0.167 nan 4.420 nan 0.000 0.245 216 P C 0.341 177.724 177.300 0.139 0.000 1.199 216 P CA 0.332 63.523 63.100 0.152 0.000 0.807 216 P CB 0.691 32.471 31.700 0.134 0.000 1.002 217 K N 1.075 121.530 120.400 0.092 0.000 2.107 217 K HA 0.080 4.400 4.320 -0.000 0.000 0.251 217 K C 0.793 177.377 176.600 -0.027 0.000 1.012 217 K CA -0.058 56.264 56.287 0.058 0.000 0.920 217 K CB 0.368 32.881 32.500 0.022 0.000 1.033 217 K HN -0.104 nan 8.250 nan 0.000 0.478 218 D N -0.645 119.613 120.400 -0.236 0.000 2.352 218 D HA -0.090 4.550 4.640 -0.000 0.000 0.232 218 D C 0.765 176.957 176.300 -0.180 0.000 1.055 218 D CA 0.441 54.175 54.000 -0.442 0.000 0.891 218 D CB -0.217 40.019 40.800 -0.941 0.000 0.897 218 D HN 0.547 nan 8.370 nan 0.000 0.529 219 T N -4.582 109.920 114.554 -0.088 0.000 3.044 219 T HA 0.102 4.452 4.350 -0.000 0.000 0.260 219 T C 0.556 175.254 174.700 -0.004 0.000 1.019 219 T CA -0.438 61.642 62.100 -0.033 0.000 0.921 219 T CB 0.153 69.012 68.868 -0.016 0.000 1.053 219 T HN -0.099 nan 8.240 nan 0.000 0.533 220 D N 1.297 121.692 120.400 -0.009 0.000 2.463 220 D HA 0.253 4.893 4.640 -0.000 0.000 0.224 220 D C 0.036 176.322 176.300 -0.024 0.000 1.174 220 D CA -0.255 53.747 54.000 0.003 0.000 0.829 220 D CB -0.077 40.723 40.800 0.000 0.000 0.993 220 D HN 0.433 nan 8.370 nan 0.000 0.497 221 c N -0.028 118.564 118.600 -0.014 0.000 2.534 221 c HA 0.280 4.850 4.570 -0.000 0.000 0.385 221 c C 2.095 176.257 174.090 0.121 0.000 1.264 221 c CA -0.679 55.626 56.329 -0.039 0.000 2.342 221 c CB -0.037 42.464 42.510 -0.016 0.000 2.564 221 c HN 0.324 nan 8.230 nan 0.000 0.603 222 F N 1.071 121.031 119.950 0.015 0.000 2.293 222 F HA 0.213 4.740 4.527 -0.000 0.000 0.297 222 F C 1.399 177.195 175.800 -0.008 0.000 1.089 222 F CA 0.537 58.539 58.000 0.004 0.000 1.377 222 F CB 0.086 39.089 39.000 0.006 0.000 1.051 222 F HN 0.735 nan 8.300 nan 0.000 0.511 223 A N -1.165 121.756 122.820 0.168 0.000 2.605 223 A HA 0.512 4.832 4.320 -0.000 0.000 0.294 223 A C -1.495 176.092 177.584 0.006 0.000 1.062 223 A CA -0.779 51.294 52.037 0.060 0.000 0.682 223 A CB 0.456 19.484 19.000 0.047 0.000 1.278 223 A HN 0.037 nan 8.150 nan 0.000 0.410 224 c N 2.150 120.723 118.600 -0.046 0.000 2.401 224 c HA 0.398 4.968 4.570 -0.000 0.000 0.365 224 c C 2.011 176.038 174.090 -0.105 0.000 1.250 224 c CA -0.558 55.728 56.329 -0.071 0.000 2.131 224 c CB 0.578 43.029 42.510 -0.097 0.000 2.445 224 c HN 0.871 nan 8.230 nan 0.000 0.550 225 M N 2.125 121.672 119.600 -0.090 0.000 2.200 225 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 225 M C 1.419 177.590 176.300 -0.216 0.000 1.066 225 M CA 1.766 57.001 55.300 -0.108 0.000 1.127 225 M CB -0.675 31.890 32.600 -0.058 0.000 1.379 225 M HN 0.719 nan 8.290 nan 0.000 0.420 226 N N -1.234 117.285 118.700 -0.301 0.000 3.261 226 N HA 0.236 4.976 4.740 -0.000 0.000 0.217 226 N C -0.272 174.631 175.510 -1.011 0.000 1.152 226 N CA 0.334 52.983 53.050 -0.669 0.000 1.153 226 N CB 0.590 38.770 38.487 -0.512 0.000 1.474 226 N HN 0.090 nan 8.380 nan 0.000 0.577 227 F N 0.380 120.307 119.950 -0.037 0.000 2.611 227 F HA 0.433 4.960 4.527 -0.000 0.000 0.324 227 F C 0.032 175.806 175.800 -0.044 0.000 1.061 227 F CA -1.076 56.892 58.000 -0.053 0.000 0.954 227 F CB 1.264 40.260 39.000 -0.007 0.000 1.301 227 F HN -0.084 nan 8.300 nan 0.000 0.482 228 N N 1.369 120.167 118.700 0.164 0.000 2.518 228 N HA 0.151 4.891 4.740 -0.000 0.000 0.254 228 N C -2.013 173.612 175.510 0.192 0.000 0.979 228 N CA -0.345 52.781 53.050 0.126 0.000 0.930 228 N CB 0.997 39.535 38.487 0.085 0.000 1.152 228 N HN 0.595 nan 8.380 nan 0.000 0.505 229 D N 1.805 122.284 120.400 0.132 0.000 2.454 229 D HA 0.296 4.936 4.640 -0.000 0.000 0.225 229 D C -0.430 175.915 176.300 0.075 0.000 1.081 229 D CA -0.006 54.055 54.000 0.101 0.000 0.864 229 D CB 0.207 41.046 40.800 0.064 0.000 1.040 229 D HN 0.447 nan 8.370 nan 0.000 0.517 230 S N 2.668 118.419 115.700 0.084 0.000 3.614 230 S HA -0.129 4.341 4.470 -0.000 0.000 0.360 230 S C 1.289 175.922 174.600 0.056 0.000 1.023 230 S CA 1.041 59.277 58.200 0.060 0.000 1.114 230 S CB -1.551 61.669 63.200 0.033 0.000 0.907 230 S HN 1.145 nan 8.310 nan 0.000 0.470 231 G N -0.807 108.038 108.800 0.075 0.000 2.241 231 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.244 231 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.244 231 G C 0.081 175.001 174.900 0.034 0.000 0.998 231 G CA 0.221 45.356 45.100 0.058 0.000 0.621 231 G HN 1.963 nan 8.290 nan 0.000 0.519 232 A N -0.114 122.721 122.820 0.026 0.000 2.276 232 A HA 0.619 4.939 4.320 -0.000 0.000 0.316 232 A C 0.555 178.138 177.584 -0.002 0.000 1.229 232 A CA 0.177 52.209 52.037 -0.009 0.000 0.851 232 A CB 0.681 19.671 19.000 -0.017 0.000 1.165 232 A HN 0.966 nan 8.150 nan 0.000 0.513 233 c N 3.378 121.954 118.600 -0.040 0.000 2.555 233 c HA 0.478 5.048 4.570 -0.000 0.000 0.385 233 c C 0.805 174.892 174.090 -0.005 0.000 1.296 233 c CA -0.223 56.093 56.329 -0.021 0.000 1.757 233 c CB -1.466 41.020 42.510 -0.040 0.000 2.445 233 c HN 0.729 nan 8.230 nan 0.000 0.571 234 V N 2.245 122.200 119.914 0.068 0.000 3.001 234 V HA 0.576 4.696 4.120 -0.000 0.000 0.314 234 V C 0.506 176.703 176.094 0.172 0.000 1.099 234 V CA -0.438 61.931 62.300 0.115 0.000 0.989 234 V CB 1.351 33.246 31.823 0.120 0.000 1.040 234 V HN 0.673 nan 8.190 nan 0.000 0.434 235 T N 1.440 116.103 114.554 0.181 0.000 2.904 235 T HA 0.035 4.385 4.350 -0.000 0.000 0.267 235 T C 0.511 175.417 174.700 0.344 0.000 1.059 235 T CA 1.959 64.175 62.100 0.193 0.000 1.137 235 T CB -0.353 68.614 68.868 0.164 0.000 0.879 235 T HN 0.980 nan 8.240 nan 0.000 0.467 236 Q N -1.165 118.818 119.800 0.305 0.000 2.534 236 Q HA 0.520 4.860 4.340 -0.000 0.000 0.290 236 Q C -1.426 174.605 176.000 0.051 0.000 0.991 236 Q CA -1.025 54.912 55.803 0.223 0.000 0.783 236 Q CB 0.790 29.605 28.738 0.127 0.000 1.470 236 Q HN 0.099 nan 8.270 nan 0.000 0.406 237 c N 1.305 119.810 118.600 -0.158 0.000 2.500 237 c HA 0.455 5.025 4.570 -0.000 0.000 0.367 237 c C -2.037 171.969 174.090 -0.140 0.000 1.283 237 c CA -0.772 55.455 56.329 -0.169 0.000 2.456 237 c CB -0.318 42.015 42.510 -0.295 0.000 2.457 237 c HN 0.671 nan 8.230 nan 0.000 0.632 238 P HA 0.020 nan 4.420 nan 0.000 0.260 238 P C -0.272 176.913 177.300 -0.193 0.000 1.185 238 P CA 0.595 63.605 63.100 -0.149 0.000 0.763 238 P CB 0.221 31.826 31.700 -0.159 0.000 0.776 239 Q N 1.834 121.556 119.800 -0.130 0.000 2.414 239 Q HA -0.036 4.304 4.340 -0.000 0.000 0.288 239 Q C 1.492 177.378 176.000 -0.190 0.000 1.086 239 Q CA 1.000 56.739 55.803 -0.106 0.000 0.943 239 Q CB -0.126 28.602 28.738 -0.016 0.000 1.282 239 Q HN 0.527 nan 8.270 nan 0.000 0.438 240 T N -2.094 112.365 114.554 -0.159 0.000 3.035 240 T HA 0.083 4.433 4.350 -0.000 0.000 0.268 240 T C 0.306 174.666 174.700 -0.568 0.000 1.109 240 T CA 0.733 62.632 62.100 -0.334 0.000 1.119 240 T CB 0.085 68.852 68.868 -0.169 0.000 0.900 240 T HN 0.334 nan 8.240 nan 0.000 0.503 241 F N 1.470 121.348 119.950 -0.121 0.000 2.561 241 F HA 0.606 5.133 4.527 -0.000 0.000 0.313 241 F C -0.551 175.221 175.800 -0.047 0.000 1.126 241 F CA -1.432 56.518 58.000 -0.084 0.000 0.918 241 F CB 2.395 41.382 39.000 -0.022 0.000 1.199 241 F HN 0.002 nan 8.300 nan 0.000 0.444 242 V N 0.000 119.996 119.914 0.137 0.000 2.962 242 V HA 0.533 4.653 4.120 -0.000 0.000 0.313 242 V C -1.217 174.973 176.094 0.160 0.000 1.099 242 V CA -1.237 61.132 62.300 0.115 0.000 0.971 242 V CB 1.683 33.525 31.823 0.032 0.000 1.028 242 V HN 0.682 nan 8.190 nan 0.000 0.430 243 Y N 3.588 123.906 120.300 0.031 0.000 2.544 243 Y HA 0.316 4.866 4.550 -0.000 0.000 0.330 243 Y C 0.578 176.473 175.900 -0.007 0.000 1.136 243 Y CA 0.387 58.496 58.100 0.015 0.000 1.417 243 Y CB 0.545 39.002 38.460 -0.005 0.000 1.229 243 Y HN 0.953 nan 8.280 nan 0.000 0.532 244 N N 8.718 127.146 118.700 -0.452 0.000 2.469 244 N HA 0.211 4.951 4.740 -0.000 0.000 0.253 244 N C -2.138 172.943 175.510 -0.715 0.000 0.970 244 N CA -2.184 50.642 53.050 -0.373 0.000 0.940 244 N CB 1.818 40.176 38.487 -0.214 0.000 1.128 244 N HN 0.416 nan 8.380 nan 0.000 0.503 245 P HA -0.068 nan 4.420 nan 0.000 0.222 245 P C 0.826 177.632 177.300 -0.823 0.000 1.147 245 P CA 1.149 63.939 63.100 -0.517 0.000 0.790 245 P CB 0.467 32.055 31.700 -0.186 0.000 0.780 246 T N -0.474 113.739 114.554 -0.568 0.000 2.976 246 T HA -0.033 4.317 4.350 -0.000 0.000 0.257 246 T C 1.742 176.224 174.700 -0.363 0.000 1.051 246 T CA 1.975 63.797 62.100 -0.462 0.000 1.141 246 T CB -0.676 68.078 68.868 -0.191 0.000 0.881 246 T HN 0.320 nan 8.240 nan 0.000 0.461 247 T N -0.401 113.988 114.554 -0.276 0.000 3.107 247 T HA 0.155 4.505 4.350 -0.000 0.000 0.249 247 T C 0.660 175.407 174.700 0.079 0.000 1.096 247 T CA -0.285 61.797 62.100 -0.029 0.000 1.012 247 T CB -0.861 67.984 68.868 -0.038 0.000 0.977 247 T HN 0.301 nan 8.240 nan 0.000 0.527 248 F N 2.076 121.880 119.950 -0.244 0.000 3.067 248 F HA -0.208 4.319 4.527 -0.000 0.000 0.279 248 F C 0.428 176.131 175.800 -0.162 0.000 0.945 248 F CA 0.888 58.763 58.000 -0.209 0.000 0.948 248 F CB -2.382 36.612 39.000 -0.011 0.000 0.898 248 F HN 0.689 nan 8.300 nan 0.000 0.746 249 Q N -1.865 117.763 119.800 -0.286 0.000 2.702 249 Q HA 0.628 4.968 4.340 -0.000 0.000 0.289 249 Q C -1.083 174.868 176.000 -0.082 0.000 0.923 249 Q CA -1.417 54.367 55.803 -0.033 0.000 0.787 249 Q CB 1.436 30.197 28.738 0.038 0.000 1.476 249 Q HN 0.193 nan 8.270 nan 0.000 0.402 250 L N 1.453 122.735 121.223 0.097 0.000 2.485 250 L HA 0.286 4.626 4.340 -0.000 0.000 0.275 250 L C 0.100 177.073 176.870 0.172 0.000 1.207 250 L CA 0.259 55.184 54.840 0.142 0.000 0.855 250 L CB 0.205 42.329 42.059 0.108 0.000 1.114 250 L HN 0.577 nan 8.230 nan 0.000 0.485 251 E N 0.415 120.763 120.200 0.245 0.000 2.367 251 E HA 0.203 4.553 4.350 -0.000 0.000 0.273 251 E C -1.113 175.639 176.600 0.254 0.000 0.903 251 E CA -1.045 55.523 56.400 0.280 0.000 0.764 251 E CB 1.717 31.508 29.700 0.152 0.000 1.252 251 E HN 0.490 nan 8.360 nan 0.000 0.446 252 H N 1.432 120.497 119.070 -0.007 0.000 3.140 252 H HA -0.077 4.479 4.556 -0.000 0.000 0.316 252 H C 0.011 175.102 175.328 -0.395 0.000 0.986 252 H CA 0.872 56.602 56.048 -0.529 0.000 1.397 252 H CB 0.283 29.707 29.762 -0.562 0.000 1.377 252 H HN 0.364 nan 8.280 nan 0.000 0.585 253 N N 4.592 122.686 118.700 -1.010 0.000 2.420 253 N HA 0.012 4.752 4.740 -0.000 0.000 0.249 253 N C 0.015 175.090 175.510 -0.724 0.000 1.033 253 N CA -0.544 52.155 53.050 -0.585 0.000 0.944 253 N CB 0.346 38.594 38.487 -0.398 0.000 1.113 253 N HN 0.541 nan 8.380 nan 0.000 0.502 254 F N 2.001 121.819 119.950 -0.221 0.000 2.771 254 F HA 0.057 4.584 4.527 -0.000 0.000 0.299 254 F C 1.383 177.135 175.800 -0.080 0.000 1.177 254 F CA 0.255 58.225 58.000 -0.051 0.000 1.450 254 F CB 0.116 39.142 39.000 0.045 0.000 1.114 254 F HN 0.569 nan 8.300 nan 0.000 0.587 255 N N 0.134 118.814 118.700 -0.033 0.000 2.203 255 N HA 0.206 4.946 4.740 -0.000 0.000 0.207 255 N C 0.542 175.949 175.510 -0.171 0.000 1.130 255 N CA 0.151 53.165 53.050 -0.060 0.000 0.861 255 N CB 0.223 38.683 38.487 -0.045 0.000 1.005 255 N HN 0.035 nan 8.380 nan 0.000 0.507 256 A N 1.205 123.850 122.820 -0.292 0.000 2.520 256 A HA 0.151 4.471 4.320 -0.000 0.000 0.235 256 A C 0.536 177.765 177.584 -0.591 0.000 1.065 256 A CA 0.549 52.317 52.037 -0.449 0.000 0.764 256 A CB 0.488 19.150 19.000 -0.563 0.000 1.002 256 A HN 0.107 nan 8.150 nan 0.000 0.502 257 K N 0.001 119.995 120.400 -0.677 0.000 2.400 257 K HA 0.617 4.937 4.320 -0.000 0.000 0.246 257 K C -1.694 174.369 176.600 -0.896 0.000 0.995 257 K CA -0.461 55.428 56.287 -0.664 0.000 0.840 257 K CB 1.821 34.160 32.500 -0.269 0.000 1.293 257 K HN 0.685 nan 8.250 nan 0.000 0.445 258 Y N -0.440 119.818 120.300 -0.070 0.000 2.524 258 Y HA 0.226 4.776 4.550 -0.000 0.000 0.344 258 Y C 0.467 176.323 175.900 -0.074 0.000 1.012 258 Y CA -1.138 56.916 58.100 -0.077 0.000 1.068 258 Y CB 1.748 40.184 38.460 -0.040 0.000 1.249 258 Y HN 0.548 nan 8.280 nan 0.000 0.468 259 T N -0.931 113.635 114.554 0.020 0.000 2.907 259 T HA 0.300 4.650 4.350 -0.000 0.000 0.298 259 T C -1.186 173.637 174.700 0.204 0.000 1.017 259 T CA -0.221 61.864 62.100 -0.025 0.000 1.118 259 T CB 0.542 69.294 68.868 -0.192 0.000 0.948 259 T HN 0.629 nan 8.240 nan 0.000 0.531 260 Y N 2.372 122.739 120.300 0.111 0.000 2.379 260 Y HA 0.494 5.044 4.550 -0.000 0.000 0.342 260 Y C 0.526 176.557 175.900 0.218 0.000 1.126 260 Y CA -0.106 58.043 58.100 0.082 0.000 1.310 260 Y CB 0.561 39.021 38.460 0.001 0.000 1.115 260 Y HN 1.342 nan 8.280 nan 0.000 0.505 261 G N 3.119 111.857 108.800 -0.103 0.000 2.543 261 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.286 261 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.286 261 G C 0.618 175.534 174.900 0.026 0.000 1.153 261 G CA 0.269 45.286 45.100 -0.137 0.000 0.968 261 G HN 1.552 nan 8.290 nan 0.000 0.544 262 A N -0.205 122.494 122.820 -0.201 0.000 2.500 262 A HA 0.743 5.063 4.320 -0.000 0.000 0.267 262 A C 0.170 177.632 177.584 -0.203 0.000 1.290 262 A CA 0.144 52.034 52.037 -0.244 0.000 0.928 262 A CB -0.127 18.593 19.000 -0.467 0.000 1.066 262 A HN 0.635 nan 8.150 nan 0.000 0.516 263 F N -1.667 118.421 119.950 0.229 0.000 2.507 263 F HA 0.495 5.022 4.527 -0.000 0.000 0.327 263 F C 0.226 176.124 175.800 0.163 0.000 1.068 263 F CA -1.021 57.093 58.000 0.191 0.000 0.965 263 F CB 1.440 40.531 39.000 0.152 0.000 1.192 263 F HN -0.086 nan 8.300 nan 0.000 0.476 264 c N 2.711 121.495 118.600 0.306 0.000 2.303 264 c HA 0.783 5.353 4.570 -0.000 0.000 0.326 264 c C -0.152 174.012 174.090 0.124 0.000 1.285 264 c CA -0.844 55.549 56.329 0.107 0.000 1.675 264 c CB 0.343 42.871 42.510 0.030 0.000 2.289 264 c HN 0.624 nan 8.230 nan 0.000 0.512 265 V N 2.165 122.140 119.914 0.101 0.000 3.001 265 V HA 0.596 4.716 4.120 -0.000 0.000 0.314 265 V C 0.217 176.368 176.094 0.094 0.000 1.099 265 V CA -0.729 61.622 62.300 0.086 0.000 0.989 265 V CB 1.821 33.688 31.823 0.074 0.000 1.040 265 V HN 0.818 nan 8.190 nan 0.000 0.434 266 K N 0.471 120.914 120.400 0.073 0.000 2.243 266 K HA 0.235 4.555 4.320 -0.000 0.000 0.201 266 K C 0.544 177.247 176.600 0.172 0.000 1.051 266 K CA 0.747 57.094 56.287 0.099 0.000 0.970 266 K CB 0.243 32.774 32.500 0.051 0.000 0.755 266 K HN 0.688 nan 8.250 nan 0.000 0.465 267 K N 0.622 121.078 120.400 0.093 0.000 2.482 267 K HA 0.243 4.563 4.320 -0.000 0.000 0.251 267 K C -1.162 175.420 176.600 -0.030 0.000 0.936 267 K CA -0.704 55.605 56.287 0.037 0.000 0.791 267 K CB 1.617 34.123 32.500 0.010 0.000 1.213 267 K HN -0.045 nan 8.250 nan 0.000 0.428 268 c N 4.062 122.617 118.600 -0.074 0.000 2.700 268 c HA 0.240 4.810 4.570 -0.000 0.000 0.397 268 c C -1.820 172.150 174.090 -0.199 0.000 1.301 268 c CA -0.934 55.298 56.329 -0.162 0.000 2.219 268 c CB -0.395 42.052 42.510 -0.106 0.000 2.699 268 c HN 0.689 nan 8.230 nan 0.000 0.669 269 P HA 0.022 nan 4.420 nan 0.000 0.269 269 P C 0.726 178.050 177.300 0.040 0.000 1.217 269 P CA 0.340 63.255 63.100 -0.308 0.000 0.783 269 P CB 0.262 31.514 31.700 -0.746 0.000 0.898 270 H N 1.771 120.839 119.070 -0.004 0.000 2.275 270 H HA -0.233 4.323 4.556 -0.000 0.000 0.287 270 H C 0.708 176.080 175.328 0.073 0.000 1.097 270 H CA 2.283 58.351 56.048 0.033 0.000 1.169 270 H CB -0.408 29.368 29.762 0.022 0.000 1.349 270 H HN 0.342 nan 8.280 nan 0.000 0.501 271 N N 0.356 119.076 118.700 0.034 0.000 2.597 271 N HA 0.075 4.815 4.740 -0.000 0.000 0.269 271 N C -1.122 174.215 175.510 -0.288 0.000 1.204 271 N CA 0.183 53.123 53.050 -0.183 0.000 0.947 271 N CB -0.078 38.306 38.487 -0.171 0.000 1.258 271 N HN 0.126 nan 8.380 nan 0.000 0.508 272 F N -0.478 119.381 119.950 -0.151 0.000 2.620 272 F HA 0.533 5.060 4.527 -0.000 0.000 0.320 272 F C 0.295 176.014 175.800 -0.134 0.000 1.069 272 F CA -1.174 56.755 58.000 -0.118 0.000 0.953 272 F CB 1.513 40.438 39.000 -0.125 0.000 1.322 272 F HN -0.240 nan 8.300 nan 0.000 0.479 273 V N -1.142 118.812 119.914 0.066 0.000 3.114 273 V HA 0.743 4.863 4.120 -0.000 0.000 0.308 273 V C -1.205 174.854 176.094 -0.057 0.000 1.168 273 V CA -1.136 61.142 62.300 -0.037 0.000 1.015 273 V CB 1.410 33.193 31.823 -0.066 0.000 1.050 273 V HN 0.479 nan 8.190 nan 0.000 0.433 274 V N 2.208 122.021 119.914 -0.167 0.000 2.455 274 V HA 0.403 4.523 4.120 -0.000 0.000 0.273 274 V C -0.328 175.698 176.094 -0.113 0.000 1.045 274 V CA 0.453 62.609 62.300 -0.240 0.000 0.976 274 V CB 0.919 32.405 31.823 -0.562 0.000 0.993 274 V HN 1.074 nan 8.190 nan 0.000 0.475 275 D N 3.861 124.239 120.400 -0.037 0.000 2.454 275 D HA 0.503 5.143 4.640 -0.000 0.000 0.247 275 D C 0.478 176.804 176.300 0.044 0.000 1.129 275 D CA 0.377 54.381 54.000 0.007 0.000 0.877 275 D CB 1.348 42.164 40.800 0.027 0.000 1.082 275 D HN 0.531 nan 8.370 nan 0.000 0.537 276 S N 2.304 118.038 115.700 0.057 0.000 4.158 276 S HA -0.275 4.195 4.470 -0.000 0.000 0.553 276 S C 0.972 175.670 174.600 0.164 0.000 1.866 276 S CA 1.606 59.869 58.200 0.104 0.000 4.249 276 S CB -1.494 61.762 63.200 0.093 0.000 0.211 276 S HN 0.872 nan 8.310 nan 0.000 0.455 277 S N 0.016 115.812 115.700 0.161 0.000 2.819 277 S HA 0.658 5.128 4.470 -0.000 0.000 0.249 277 S C -0.161 174.566 174.600 0.213 0.000 1.030 277 S CA 0.275 58.612 58.200 0.228 0.000 1.052 277 S CB 0.901 64.143 63.200 0.070 0.000 1.017 277 S HN 0.518 nan 8.310 nan 0.000 0.576 278 S N 0.695 116.490 115.700 0.157 0.000 2.607 278 S HA 0.638 5.108 4.470 -0.000 0.000 0.303 278 S C -0.566 174.106 174.600 0.121 0.000 1.086 278 S CA -0.623 57.658 58.200 0.135 0.000 0.995 278 S CB 1.328 64.597 63.200 0.116 0.000 1.084 278 S HN 0.476 nan 8.310 nan 0.000 0.507 279 c N 2.921 121.616 118.600 0.158 0.000 2.307 279 c HA 0.808 5.378 4.570 -0.000 0.000 0.340 279 c C 0.415 174.710 174.090 0.342 0.000 1.275 279 c CA -0.553 55.879 56.329 0.171 0.000 1.811 279 c CB -0.587 41.975 42.510 0.087 0.000 2.372 279 c HN 0.701 nan 8.230 nan 0.000 0.531 280 V N 3.110 123.231 119.914 0.344 0.000 3.141 280 V HA 0.651 4.771 4.120 -0.000 0.000 0.312 280 V C 0.644 176.777 176.094 0.066 0.000 1.157 280 V CA -0.795 61.690 62.300 0.309 0.000 1.041 280 V CB 1.455 33.355 31.823 0.129 0.000 1.071 280 V HN 0.731 nan 8.190 nan 0.000 0.441 281 R N 0.959 121.348 120.500 -0.185 0.000 2.066 281 R HA 0.372 4.712 4.340 -0.000 0.000 0.232 281 R C 0.673 176.828 176.300 -0.242 0.000 1.131 281 R CA 1.727 57.555 56.100 -0.453 0.000 0.955 281 R CB -0.455 29.648 30.300 -0.328 0.000 0.851 281 R HN 1.123 nan 8.270 nan 0.000 0.432 282 A N -0.642 122.103 122.820 -0.125 0.000 2.572 282 A HA 0.421 4.741 4.320 -0.000 0.000 0.295 282 A C -0.625 176.932 177.584 -0.046 0.000 1.072 282 A CA -0.781 51.204 52.037 -0.087 0.000 0.691 282 A CB 1.091 20.041 19.000 -0.083 0.000 1.291 282 A HN 0.241 nan 8.150 nan 0.000 0.404 283 c N 3.128 121.703 118.600 -0.040 0.000 2.679 283 c HA 0.450 5.020 4.570 -0.000 0.000 0.417 283 c C -1.250 172.830 174.090 -0.015 0.000 1.302 283 c CA -0.246 56.069 56.329 -0.023 0.000 1.973 283 c CB -0.436 42.059 42.510 -0.025 0.000 2.715 283 c HN 0.738 nan 8.230 nan 0.000 0.628 284 P HA 0.075 nan 4.420 nan 0.000 0.271 284 P C 0.643 177.940 177.300 -0.005 0.000 1.244 284 P CA 0.159 63.259 63.100 -0.001 0.000 0.793 284 P CB 0.383 32.088 31.700 0.008 0.000 0.984 285 S N 0.035 115.732 115.700 -0.005 0.000 2.383 285 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 285 S C 1.734 176.332 174.600 -0.004 0.000 1.030 285 S CA 1.568 59.764 58.200 -0.007 0.000 1.002 285 S CB -1.646 61.550 63.200 -0.007 0.000 0.829 285 S HN 0.626 nan 8.310 nan 0.000 0.467 286 S N 0.848 116.548 115.700 -0.001 0.000 2.660 286 S HA 0.287 4.757 4.470 -0.000 0.000 0.223 286 S C 0.237 174.839 174.600 0.002 0.000 0.963 286 S CA -0.402 57.799 58.200 0.001 0.000 0.932 286 S CB -0.354 62.848 63.200 0.004 0.000 0.775 286 S HN 0.580 nan 8.310 nan 0.000 0.531 287 K N 0.741 121.141 120.400 -0.000 0.000 2.480 287 K HA 0.636 4.956 4.320 -0.000 0.000 0.258 287 K C -0.738 175.857 176.600 -0.007 0.000 0.990 287 K CA -0.878 55.409 56.287 -0.001 0.000 0.857 287 K CB 2.025 34.526 32.500 0.002 0.000 1.384 287 K HN 0.340 nan 8.250 nan 0.000 0.446 288 M N -0.748 118.847 119.600 -0.009 0.000 2.591 288 M HA 0.463 4.943 4.480 -0.000 0.000 0.306 288 M C -0.855 175.432 176.300 -0.021 0.000 1.190 288 M CA -0.652 54.639 55.300 -0.014 0.000 0.889 288 M CB 2.230 34.824 32.600 -0.010 0.000 1.728 288 M HN 0.540 nan 8.290 nan 0.000 0.458 289 E N 2.467 122.650 120.200 -0.028 0.000 2.290 289 E HA 0.469 4.819 4.350 -0.000 0.000 0.277 289 E C -1.157 175.423 176.600 -0.034 0.000 1.035 289 E CA -0.555 55.823 56.400 -0.037 0.000 0.873 289 E CB 1.006 30.678 29.700 -0.046 0.000 1.029 289 E HN 0.625 nan 8.360 nan 0.000 0.419 290 V N 1.097 120.989 119.914 -0.037 0.000 3.159 290 V HA 0.523 4.643 4.120 -0.000 0.000 0.308 290 V C -0.884 175.186 176.094 -0.041 0.000 1.190 290 V CA -1.188 61.093 62.300 -0.033 0.000 1.037 290 V CB 1.819 33.627 31.823 -0.026 0.000 1.060 290 V HN 0.636 nan 8.190 nan 0.000 0.437 291 E N 1.123 121.302 120.200 -0.035 0.000 2.115 291 E HA 0.548 4.898 4.350 -0.000 0.000 0.282 291 E C -0.645 175.932 176.600 -0.038 0.000 0.987 291 E CA 0.081 56.460 56.400 -0.036 0.000 0.797 291 E CB 0.996 30.680 29.700 -0.025 0.000 1.086 291 E HN 0.886 nan 8.360 nan 0.000 0.397 292 E N 4.262 124.431 120.200 -0.051 0.000 2.274 292 E HA 0.251 4.601 4.350 -0.000 0.000 0.269 292 E C -0.851 175.700 176.600 -0.081 0.000 0.891 292 E CA -0.627 55.732 56.400 -0.069 0.000 0.784 292 E CB 0.476 30.124 29.700 -0.088 0.000 1.225 292 E HN 0.560 nan 8.360 nan 0.000 0.412 293 N N 3.052 121.715 118.700 -0.061 0.000 2.727 293 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 293 N C 0.472 175.997 175.510 0.026 0.000 1.048 293 N CA 1.475 54.516 53.050 -0.015 0.000 0.714 293 N CB -1.397 37.009 38.487 -0.135 0.000 0.959 293 N HN 0.996 nan 8.380 nan 0.000 0.544 294 G N -0.936 107.872 108.800 0.013 0.000 2.179 294 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 294 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 294 G C 0.007 174.910 174.900 0.005 0.000 1.010 294 G CA 0.639 45.749 45.100 0.017 0.000 0.736 294 G HN 0.571 nan 8.290 nan 0.000 0.513 295 I N -0.596 119.962 120.570 -0.020 0.000 2.619 295 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 295 I C 0.062 176.134 176.117 -0.075 0.000 1.100 295 I CA -0.998 60.272 61.300 -0.049 0.000 1.043 295 I CB 1.989 39.955 38.000 -0.057 0.000 1.239 295 I HN -0.083 nan 8.210 nan 0.000 0.420 296 K N 7.238 127.587 120.400 -0.086 0.000 2.322 296 K HA 0.638 4.958 4.320 -0.000 0.000 0.283 296 K C -0.666 175.865 176.600 -0.115 0.000 1.042 296 K CA -0.172 56.064 56.287 -0.085 0.000 0.958 296 K CB 1.000 33.452 32.500 -0.079 0.000 0.984 296 K HN 0.517 nan 8.250 nan 0.000 0.473 297 M N -0.503 119.041 119.600 -0.095 0.000 2.773 297 M HA 0.383 4.863 4.480 -0.000 0.000 0.270 297 M C -1.478 174.785 176.300 -0.061 0.000 1.238 297 M CA -0.908 54.332 55.300 -0.100 0.000 0.832 297 M CB 1.097 33.626 32.600 -0.119 0.000 1.672 297 M HN 0.326 nan 8.290 nan 0.000 0.480 298 c N 1.592 120.163 118.600 -0.047 0.000 2.303 298 c HA 0.648 5.218 4.570 -0.000 0.000 0.341 298 c C 0.029 174.114 174.090 -0.008 0.000 1.244 298 c CA -0.423 55.891 56.329 -0.024 0.000 1.765 298 c CB -0.704 41.798 42.510 -0.014 0.000 2.379 298 c HN 0.792 nan 8.230 nan 0.000 0.530 299 K N 3.890 124.286 120.400 -0.006 0.000 2.206 299 K HA 0.406 4.726 4.320 -0.000 0.000 0.264 299 K C -2.643 173.963 176.600 0.009 0.000 0.967 299 K CA -1.537 54.753 56.287 0.006 0.000 0.844 299 K CB 1.076 33.577 32.500 0.001 0.000 1.099 299 K HN 0.274 nan 8.250 nan 0.000 0.441 300 P HA -0.070 nan 4.420 nan 0.000 0.264 300 P C -0.776 176.530 177.300 0.011 0.000 1.183 300 P CA -0.185 62.924 63.100 0.015 0.000 0.763 300 P CB 0.411 32.123 31.700 0.020 0.000 0.807 301 c N 2.592 121.197 118.600 0.008 0.000 2.382 301 c HA 0.472 5.042 4.570 -0.000 0.000 0.363 301 c C 1.022 175.116 174.090 0.008 0.000 1.213 301 c CA -0.112 56.221 56.329 0.007 0.000 2.363 301 c CB 0.686 43.199 42.510 0.006 0.000 2.397 301 c HN 0.536 nan 8.230 nan 0.000 0.573 305 c N 5.432 124.036 118.600 0.007 0.000 2.539 305 c HA 0.405 4.975 4.570 -0.000 0.000 0.392 305 c C -1.878 172.218 174.090 0.010 0.000 1.269 305 c CA -0.824 55.509 56.329 0.006 0.000 2.250 305 c CB 0.054 42.565 42.510 0.001 0.000 2.584 305 c HN 0.431 nan 8.230 nan 0.000 0.589 306 P HA 0.187 nan 4.420 nan 0.000 0.265 306 P C -0.734 176.573 177.300 0.012 0.000 1.193 306 P CA 0.329 63.438 63.100 0.015 0.000 0.765 306 P CB 0.233 31.940 31.700 0.012 0.000 0.823 307 K N 1.953 122.365 120.400 0.020 0.000 2.690 307 K HA 0.588 4.908 4.320 -0.000 0.000 0.264 307 K C -1.268 175.350 176.600 0.031 0.000 1.040 307 K CA -0.561 55.736 56.287 0.017 0.000 0.946 307 K CB 0.910 33.418 32.500 0.013 0.000 1.268 307 K HN 0.444 nan 8.250 nan 0.000 0.473 308 A N 2.590 125.424 122.820 0.024 0.000 2.322 308 A HA 0.648 4.968 4.320 -0.000 0.000 0.269 308 A C -0.565 177.038 177.584 0.032 0.000 1.094 308 A CA -0.325 51.733 52.037 0.034 0.000 0.807 308 A CB 0.415 19.428 19.000 0.022 0.000 1.047 308 A HN 0.816 nan 8.150 nan 0.000 0.487 309 c N 0.581 119.215 118.600 0.056 0.000 3.173 309 c HA 0.485 5.055 4.570 -0.000 0.000 0.310 309 c C -0.907 173.218 174.090 0.058 0.000 1.306 309 c CA -1.009 55.345 56.329 0.042 0.000 1.426 309 c CB 1.864 44.419 42.510 0.076 0.000 1.800 309 c HN 0.895 nan 8.230 nan 0.000 0.470 310 D N 0.985 121.386 120.400 0.003 0.000 2.345 310 D HA 0.456 5.096 4.640 -0.000 0.000 0.247 310 D C 0.464 176.830 176.300 0.111 0.000 1.108 310 D CA 0.599 54.609 54.000 0.017 0.000 0.894 310 D CB 1.103 41.881 40.800 -0.037 0.000 1.203 310 D HN 0.786 nan 8.370 nan 0.000 0.430 311 G N 0.585 109.460 108.800 0.126 0.000 2.557 311 G HA2 0.370 4.330 3.960 -0.000 0.000 0.302 311 G HA3 0.370 4.330 3.960 -0.000 0.000 0.302 311 G C 0.031 175.018 174.900 0.145 0.000 1.311 311 G CA -0.635 44.592 45.100 0.211 0.000 1.030 311 G HN 0.383 nan 8.290 nan 0.000 0.509 312 I N 1.455 122.098 120.570 0.123 0.000 2.576 312 I HA 0.247 4.417 4.170 -0.000 0.000 0.288 312 I C 1.462 177.578 176.117 -0.001 0.000 1.126 312 I CA 1.493 62.831 61.300 0.065 0.000 1.362 312 I CB -0.341 37.665 38.000 0.010 0.000 1.419 312 I HN 0.992 nan 8.210 nan 0.000 0.533 313 G N 4.417 113.224 108.800 0.012 0.000 2.163 313 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.213 313 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.213 313 G C 0.318 175.215 174.900 -0.005 0.000 0.991 313 G CA -0.253 44.849 45.100 0.003 0.000 0.653 313 G HN 0.537 nan 8.290 nan 0.000 0.518 314 T N 0.109 114.660 114.554 -0.005 0.000 2.863 314 T HA 0.687 5.037 4.350 -0.000 0.000 0.285 314 T C 1.316 176.009 174.700 -0.011 0.000 1.009 314 T CA 0.794 62.889 62.100 -0.009 0.000 0.989 314 T CB 1.555 70.417 68.868 -0.010 0.000 1.004 314 T HN 1.790 nan 8.240 nan 0.000 0.455 315 G N 2.863 111.655 108.800 -0.013 0.000 2.684 315 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.332 315 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.332 315 G C 1.425 176.309 174.900 -0.027 0.000 1.306 315 G CA 1.014 46.102 45.100 -0.019 0.000 1.002 315 G HN 1.406 nan 8.290 nan 0.000 0.545 316 S N -0.186 115.490 115.700 -0.040 0.000 2.559 316 S HA 0.134 4.604 4.470 -0.000 0.000 0.250 316 S C 1.413 175.980 174.600 -0.055 0.000 0.977 316 S CA 1.756 59.925 58.200 -0.051 0.000 0.958 316 S CB -0.113 63.044 63.200 -0.072 0.000 0.751 316 S HN 0.775 nan 8.310 nan 0.000 0.534 317 L N -0.016 121.182 121.223 -0.042 0.000 3.347 317 L HA 0.431 4.771 4.340 -0.000 0.000 0.306 317 L C 1.405 178.273 176.870 -0.004 0.000 1.301 317 L CA -0.082 54.741 54.840 -0.028 0.000 0.985 317 L CB 0.148 42.189 42.059 -0.030 0.000 1.400 317 L HN 0.251 nan 8.230 nan 0.000 0.601 318 M N 0.069 119.665 119.600 -0.006 0.000 2.175 318 M HA -0.162 4.317 4.480 -0.000 0.000 0.264 318 M C 2.307 178.614 176.300 0.011 0.000 1.063 318 M CA 2.240 57.542 55.300 0.003 0.000 1.119 318 M CB 0.234 32.834 32.600 0.001 0.000 1.377 318 M HN 0.474 nan 8.290 nan 0.000 0.415 319 S N 0.640 116.345 115.700 0.008 0.000 2.428 319 S HA 0.159 4.629 4.470 -0.000 0.000 0.230 319 S C 1.049 175.661 174.600 0.020 0.000 1.014 319 S CA 0.297 58.505 58.200 0.013 0.000 0.957 319 S CB -0.888 62.317 63.200 0.009 0.000 0.784 319 S HN 0.520 nan 8.310 nan 0.000 0.499 320 A N 1.258 124.090 122.820 0.019 0.000 2.483 320 A HA 0.341 4.661 4.320 -0.000 0.000 0.238 320 A C 1.032 178.635 177.584 0.033 0.000 1.070 320 A CA -0.211 51.842 52.037 0.027 0.000 0.770 320 A CB 0.210 19.230 19.000 0.033 0.000 1.008 320 A HN 0.418 nan 8.150 nan 0.000 0.497 321 Q N -0.477 119.343 119.800 0.034 0.000 2.211 321 Q HA 0.158 4.498 4.340 -0.000 0.000 0.242 321 Q C 0.083 176.096 176.000 0.022 0.000 0.825 321 Q CA 0.796 56.623 55.803 0.040 0.000 0.951 321 Q CB 1.107 29.874 28.738 0.048 0.000 1.130 321 Q HN 0.864 nan 8.270 nan 0.000 0.496 322 T N -0.747 113.810 114.554 0.005 0.000 2.830 322 T HA 0.325 4.675 4.350 -0.000 0.000 0.322 322 T C -1.284 173.384 174.700 -0.054 0.000 1.501 322 T CA -0.440 61.633 62.100 -0.046 0.000 1.036 322 T CB 1.535 70.391 68.868 -0.019 0.000 1.379 322 T HN -0.183 nan 8.240 nan 0.000 0.493 323 V N 4.478 124.276 119.914 -0.194 0.000 2.637 323 V HA 0.469 4.589 4.120 -0.000 0.000 0.296 323 V C 0.146 176.231 176.094 -0.015 0.000 1.046 323 V CA 0.435 62.675 62.300 -0.100 0.000 1.066 323 V CB 0.752 32.341 31.823 -0.391 0.000 0.968 323 V HN 1.027 nan 8.190 nan 0.000 0.483 324 D N 1.574 122.017 120.400 0.072 0.000 2.664 324 D HA 0.247 4.887 4.640 -0.000 0.000 0.292 324 D C 0.734 177.080 176.300 0.077 0.000 1.214 324 D CA -0.022 54.018 54.000 0.066 0.000 0.932 324 D CB 0.971 41.801 40.800 0.050 0.000 1.420 324 D HN 0.367 nan 8.370 nan 0.000 0.471 325 S N -1.058 114.677 115.700 0.057 0.000 2.571 325 S HA -0.145 4.325 4.470 -0.000 0.000 0.245 325 S C 1.254 175.875 174.600 0.036 0.000 0.976 325 S CA 0.999 59.227 58.200 0.045 0.000 0.954 325 S CB -0.887 62.332 63.200 0.033 0.000 0.756 325 S HN 0.662 nan 8.310 nan 0.000 0.535 326 S N 1.005 116.728 115.700 0.038 0.000 2.554 326 S HA 0.221 4.691 4.470 -0.000 0.000 0.226 326 S C 0.686 175.294 174.600 0.013 0.000 0.980 326 S CA -0.028 58.184 58.200 0.020 0.000 0.939 326 S CB -0.276 62.933 63.200 0.015 0.000 0.832 326 S HN 0.709 nan 8.310 nan 0.000 0.486 327 N N 0.138 118.861 118.700 0.039 0.000 1.986 327 N HA 0.190 4.930 4.740 -0.000 0.000 0.227 327 N C 0.766 176.328 175.510 0.087 0.000 1.387 327 N CA -0.184 52.874 53.050 0.015 0.000 0.810 327 N CB -0.798 37.697 38.487 0.015 0.000 1.140 327 N HN 0.331 nan 8.380 nan 0.000 0.504 328 I N 0.964 121.621 120.570 0.145 0.000 2.208 328 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 328 I C 0.446 176.634 176.117 0.118 0.000 1.097 328 I CA 1.669 63.100 61.300 0.217 0.000 1.363 328 I CB 0.093 38.173 38.000 0.135 0.000 1.051 328 I HN 0.016 nan 8.210 nan 0.000 0.413 329 D N 0.656 121.067 120.400 0.018 0.000 2.378 329 D HA -0.160 4.480 4.640 -0.000 0.000 0.227 329 D C 1.608 177.858 176.300 -0.082 0.000 1.012 329 D CA 0.577 54.558 54.000 -0.033 0.000 0.905 329 D CB 0.002 40.780 40.800 -0.037 0.000 0.895 329 D HN 0.225 nan 8.370 nan 0.000 0.532 330 K N -0.201 120.110 120.400 -0.148 0.000 2.505 330 K HA 0.028 4.348 4.320 -0.000 0.000 0.192 330 K C 0.403 176.674 176.600 -0.548 0.000 1.025 330 K CA 0.229 56.313 56.287 -0.338 0.000 1.086 330 K CB -0.273 31.972 32.500 -0.425 0.000 0.840 330 K HN 0.007 nan 8.250 nan 0.000 0.514 331 F N -0.185 119.688 119.950 -0.128 0.000 2.724 331 F HA 0.356 4.883 4.527 -0.000 0.000 0.310 331 F C 0.093 175.782 175.800 -0.184 0.000 1.107 331 F CA -0.766 57.138 58.000 -0.160 0.000 1.218 331 F CB 0.281 39.107 39.000 -0.291 0.000 1.042 331 F HN -0.196 nan 8.300 nan 0.000 0.540 332 I N 2.184 122.734 120.570 -0.033 0.000 2.752 332 I HA -0.158 4.012 4.170 -0.000 0.000 0.289 332 I C 0.528 176.628 176.117 -0.027 0.000 1.197 332 I CA 0.485 61.755 61.300 -0.049 0.000 1.432 332 I CB 0.110 38.077 38.000 -0.055 0.000 1.359 332 I HN 0.369 nan 8.210 nan 0.000 0.571 333 N N 2.560 121.245 118.700 -0.026 0.000 2.713 333 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 333 N C -0.287 175.233 175.510 0.016 0.000 1.117 333 N CA 0.578 53.623 53.050 -0.008 0.000 0.770 333 N CB -1.605 36.875 38.487 -0.012 0.000 1.137 333 N HN 0.523 nan 8.380 nan 0.000 0.566 334 c N -0.284 118.341 118.600 0.041 0.000 2.652 334 c HA 0.270 4.840 4.570 -0.000 0.000 0.412 334 c C 2.121 176.263 174.090 0.087 0.000 1.294 334 c CA -0.147 56.231 56.329 0.081 0.000 2.127 334 c CB 0.926 43.535 42.510 0.165 0.000 2.691 334 c HN 0.410 nan 8.230 nan 0.000 0.615 335 T N 0.129 114.733 114.554 0.082 0.000 3.058 335 T HA 0.093 4.443 4.350 -0.000 0.000 0.247 335 T C 0.336 175.091 174.700 0.091 0.000 0.987 335 T CA 0.453 62.599 62.100 0.077 0.000 1.062 335 T CB 0.081 68.980 68.868 0.051 0.000 1.048 335 T HN 0.719 nan 8.240 nan 0.000 0.468 336 K N 1.465 121.918 120.400 0.089 0.000 2.426 336 K HA 0.533 4.853 4.320 -0.000 0.000 0.254 336 K C -1.680 174.983 176.600 0.106 0.000 0.936 336 K CA -0.549 55.790 56.287 0.086 0.000 0.801 336 K CB 1.199 33.733 32.500 0.057 0.000 1.139 336 K HN 0.099 nan 8.250 nan 0.000 0.424 337 I N 4.081 124.722 120.570 0.119 0.000 2.307 337 I HA 0.156 4.326 4.170 -0.000 0.000 0.289 337 I C -0.212 175.952 176.117 0.078 0.000 1.021 337 I CA -0.834 60.550 61.300 0.141 0.000 1.224 337 I CB 1.146 39.256 38.000 0.183 0.000 1.376 337 I HN 0.483 nan 8.210 nan 0.000 0.470 338 N N 6.670 125.409 118.700 0.065 0.000 2.739 338 N HA 0.386 5.126 4.740 -0.000 0.000 0.266 338 N C 0.339 175.856 175.510 0.011 0.000 1.168 338 N CA 0.190 53.257 53.050 0.028 0.000 1.055 338 N CB 1.083 39.583 38.487 0.021 0.000 1.393 338 N HN 0.990 nan 8.380 nan 0.000 0.514 339 G N 1.382 110.169 108.800 -0.022 0.000 2.347 339 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.224 339 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.224 339 G C -1.364 173.432 174.900 -0.173 0.000 1.318 339 G CA -0.706 44.345 45.100 -0.081 0.000 1.016 339 G HN 0.363 nan 8.290 nan 0.000 0.469 340 N N -0.141 118.404 118.700 -0.258 0.000 2.404 340 N HA 0.742 5.482 4.740 -0.000 0.000 0.297 340 N C -0.910 174.465 175.510 -0.225 0.000 1.163 340 N CA -0.408 52.372 53.050 -0.449 0.000 0.864 340 N CB 1.950 39.888 38.487 -0.915 0.000 1.247 340 N HN 0.473 nan 8.380 nan 0.000 0.510 341 L N 1.963 123.067 121.223 -0.198 0.000 2.376 341 L HA 0.562 4.902 4.340 -0.000 0.000 0.275 341 L C -0.698 176.106 176.870 -0.111 0.000 0.987 341 L CA -0.477 54.272 54.840 -0.152 0.000 0.828 341 L CB 1.312 43.324 42.059 -0.078 0.000 1.249 341 L HN 0.335 nan 8.230 nan 0.000 0.409 342 I N 2.736 123.168 120.570 -0.229 0.000 2.569 342 I HA 0.410 4.580 4.170 -0.000 0.000 0.296 342 I C -1.187 174.726 176.117 -0.340 0.000 1.028 342 I CA -0.485 60.743 61.300 -0.120 0.000 1.082 342 I CB 2.313 40.290 38.000 -0.038 0.000 1.264 342 I HN 0.354 nan 8.210 nan 0.000 0.429 343 F N 6.062 126.041 119.950 0.048 0.000 2.532 343 F HA 0.487 5.014 4.527 -0.000 0.000 0.365 343 F C -0.199 175.650 175.800 0.082 0.000 1.112 343 F CA -0.343 57.722 58.000 0.108 0.000 1.082 343 F CB 0.962 40.110 39.000 0.247 0.000 1.319 343 F HN 0.096 nan 8.300 nan 0.000 0.457 344 L N 1.929 123.244 121.223 0.154 0.000 2.387 344 L HA 0.431 4.771 4.340 -0.000 0.000 0.266 344 L C 1.307 178.242 176.870 0.108 0.000 1.059 344 L CA -0.893 54.016 54.840 0.115 0.000 0.801 344 L CB 1.325 43.428 42.059 0.073 0.000 1.223 344 L HN 0.315 nan 8.230 nan 0.000 0.456 345 V N -0.277 119.697 119.914 0.101 0.000 2.332 345 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 345 V C 2.491 178.643 176.094 0.096 0.000 1.055 345 V CA 2.498 64.858 62.300 0.099 0.000 1.038 345 V CB -1.153 30.771 31.823 0.168 0.000 0.651 345 V HN 1.100 nan 8.190 nan 0.000 0.450 346 T N -0.981 113.633 114.554 0.100 0.000 2.759 346 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 346 T C 1.933 176.679 174.700 0.077 0.000 1.042 346 T CA 1.634 63.792 62.100 0.096 0.000 1.140 346 T CB -0.849 68.067 68.868 0.079 0.000 0.864 346 T HN 0.505 nan 8.240 nan 0.000 0.455 347 G N 1.309 110.145 108.800 0.060 0.000 2.403 347 G HA2 0.029 3.989 3.960 -0.000 0.000 0.216 347 G HA3 0.029 3.989 3.960 -0.000 0.000 0.216 347 G C 1.485 176.407 174.900 0.037 0.000 1.154 347 G CA 0.434 45.565 45.100 0.051 0.000 0.784 347 G HN 0.423 nan 8.290 nan 0.000 0.538 348 I N 0.873 121.437 120.570 -0.010 0.000 2.233 348 I HA -0.042 4.128 4.170 -0.000 0.000 0.243 348 I C 2.117 178.136 176.117 -0.163 0.000 1.093 348 I CA 1.097 62.321 61.300 -0.127 0.000 1.380 348 I CB -1.093 36.745 38.000 -0.269 0.000 1.067 348 I HN 0.211 nan 8.210 nan 0.000 0.413 349 H N 0.606 119.713 119.070 0.062 0.000 2.551 349 H HA 0.256 4.812 4.556 -0.000 0.000 0.266 349 H C 1.502 176.858 175.328 0.046 0.000 0.964 349 H CA 0.634 56.710 56.048 0.047 0.000 1.180 349 H CB -0.073 29.719 29.762 0.049 0.000 1.408 349 H HN 0.354 nan 8.280 nan 0.000 0.563 350 G N 1.252 110.132 108.800 0.132 0.000 2.575 350 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.267 350 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.267 350 G C -0.502 174.462 174.900 0.108 0.000 1.264 350 G CA 0.325 45.484 45.100 0.099 0.000 0.935 350 G HN 0.441 nan 8.290 nan 0.000 0.568 351 D N -0.074 120.380 120.400 0.090 0.000 2.472 351 D HA 0.511 5.151 4.640 -0.000 0.000 0.248 351 D C -1.331 175.025 176.300 0.094 0.000 1.271 351 D CA -1.311 52.748 54.000 0.098 0.000 0.888 351 D CB 1.121 41.978 40.800 0.095 0.000 1.337 351 D HN 0.022 nan 8.370 nan 0.000 0.526 352 P HA -0.184 nan 4.420 nan 0.000 0.216 352 P C 1.215 178.572 177.300 0.096 0.000 1.153 352 P CA 0.903 64.053 63.100 0.083 0.000 0.858 352 P CB 0.051 31.801 31.700 0.083 0.000 0.789 353 Y N 0.636 120.946 120.300 0.017 0.000 2.207 353 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 353 Y C 0.945 176.853 175.900 0.014 0.000 1.156 353 Y CA 1.678 59.786 58.100 0.014 0.000 1.182 353 Y CB -1.054 37.413 38.460 0.013 0.000 0.979 353 Y HN -0.042 nan 8.280 nan 0.000 0.521 354 N N -0.073 118.648 118.700 0.035 0.000 2.320 354 N HA 0.355 5.095 4.740 -0.000 0.000 0.237 354 N C 0.478 175.968 175.510 -0.034 0.000 1.129 354 N CA 0.563 53.592 53.050 -0.035 0.000 0.854 354 N CB 0.334 38.854 38.487 0.055 0.000 1.083 354 N HN 0.333 nan 8.380 nan 0.000 0.504 355 A N 0.105 122.900 122.820 -0.040 0.000 2.861 355 A HA -0.231 4.089 4.320 -0.000 0.000 0.261 355 A C 0.156 177.741 177.584 0.002 0.000 1.351 355 A CA 0.656 52.678 52.037 -0.025 0.000 0.904 355 A CB -2.376 16.599 19.000 -0.043 0.000 1.076 355 A HN 0.378 nan 8.150 nan 0.000 0.729 356 I N 1.322 121.904 120.570 0.021 0.000 2.291 356 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 356 I C 0.714 176.854 176.117 0.038 0.000 1.050 356 I CA -0.333 60.985 61.300 0.029 0.000 1.245 356 I CB 0.754 38.777 38.000 0.039 0.000 1.405 356 I HN 0.332 nan 8.210 nan 0.000 0.478 357 E N 4.397 124.615 120.200 0.030 0.000 2.437 357 E HA 0.221 4.571 4.350 -0.000 0.000 0.263 357 E C 0.153 176.779 176.600 0.043 0.000 1.030 357 E CA -0.309 56.111 56.400 0.033 0.000 0.934 357 E CB 0.720 30.433 29.700 0.022 0.000 0.943 357 E HN 0.689 nan 8.360 nan 0.000 0.444 358 A N 3.074 125.925 122.820 0.051 0.000 2.304 358 A HA 0.255 4.575 4.320 -0.000 0.000 0.271 358 A C 0.177 177.781 177.584 0.033 0.000 1.091 358 A CA -0.514 51.558 52.037 0.059 0.000 0.812 358 A CB 0.256 19.309 19.000 0.087 0.000 1.056 358 A HN 0.609 nan 8.150 nan 0.000 0.489 359 I N 1.504 122.087 120.570 0.022 0.000 2.741 359 I HA -0.076 4.094 4.170 -0.000 0.000 0.288 359 I C 0.209 176.317 176.117 -0.015 0.000 1.192 359 I CA 0.330 61.636 61.300 0.010 0.000 1.426 359 I CB 0.291 38.298 38.000 0.012 0.000 1.367 359 I HN 0.658 nan 8.210 nan 0.000 0.563 360 D N 9.856 130.249 120.400 -0.012 0.000 2.338 360 D HA 0.132 4.772 4.640 -0.000 0.000 0.255 360 D C -1.588 174.681 176.300 -0.051 0.000 1.237 360 D CA -2.145 51.840 54.000 -0.025 0.000 0.883 360 D CB 1.298 42.089 40.800 -0.015 0.000 1.087 360 D HN 0.170 nan 8.370 nan 0.000 0.485 361 P HA -0.219 nan 4.420 nan 0.000 0.219 361 P C 1.013 178.252 177.300 -0.101 0.000 1.158 361 P CA 1.185 64.205 63.100 -0.134 0.000 0.895 361 P CB 0.254 31.877 31.700 -0.128 0.000 0.792 362 E N -0.475 119.687 120.200 -0.063 0.000 2.209 362 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 362 E C 1.694 178.269 176.600 -0.040 0.000 0.993 362 E CA 1.111 57.483 56.400 -0.046 0.000 0.819 362 E CB -0.403 29.276 29.700 -0.034 0.000 0.745 362 E HN 0.391 nan 8.360 nan 0.000 0.477 363 K N 0.202 120.580 120.400 -0.037 0.000 2.439 363 K HA 0.045 4.365 4.320 -0.000 0.000 0.197 363 K C 2.004 178.591 176.600 -0.022 0.000 1.041 363 K CA 0.089 56.358 56.287 -0.031 0.000 0.970 363 K CB 0.051 32.541 32.500 -0.017 0.000 0.773 363 K HN 0.084 nan 8.250 nan 0.000 0.479 364 L N 0.999 122.221 121.223 -0.003 0.000 2.376 364 L HA -0.118 4.222 4.340 -0.000 0.000 0.219 364 L C 1.430 178.353 176.870 0.087 0.000 1.133 364 L CA 0.471 55.369 54.840 0.097 0.000 0.816 364 L CB -0.245 41.787 42.059 -0.046 0.000 0.933 364 L HN 0.205 nan 8.230 nan 0.000 0.449 365 N N -0.357 118.341 118.700 -0.002 0.000 2.635 365 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 365 N C 1.712 177.186 175.510 -0.059 0.000 1.155 365 N CA 0.646 53.685 53.050 -0.019 0.000 0.927 365 N CB 0.106 38.577 38.487 -0.026 0.000 0.976 365 N HN 0.188 nan 8.380 nan 0.000 0.448 366 V N -0.150 119.684 119.914 -0.134 0.000 2.759 366 V HA -0.114 4.006 4.120 -0.000 0.000 0.256 366 V C 1.040 176.934 176.094 -0.334 0.000 1.080 366 V CA 1.253 63.400 62.300 -0.255 0.000 1.101 366 V CB -0.525 31.071 31.823 -0.379 0.000 0.698 366 V HN 0.112 nan 8.190 nan 0.000 0.477 367 F N -0.166 119.701 119.950 -0.139 0.000 2.797 367 F HA 0.231 4.758 4.527 -0.000 0.000 0.302 367 F C 2.236 177.914 175.800 -0.203 0.000 1.130 367 F CA 0.197 58.058 58.000 -0.231 0.000 1.387 367 F CB -0.248 38.398 39.000 -0.590 0.000 1.107 367 F HN 0.017 nan 8.300 nan 0.000 0.577 368 R N -0.038 120.455 120.500 -0.011 0.000 2.193 368 R HA -0.114 4.226 4.340 -0.000 0.000 0.229 368 R C 2.090 178.409 176.300 0.033 0.000 1.110 368 R CA 1.740 57.842 56.100 0.004 0.000 0.988 368 R CB -0.653 29.643 30.300 -0.006 0.000 0.871 368 R HN 0.334 nan 8.270 nan 0.000 0.458 369 T N -2.542 112.031 114.554 0.031 0.000 3.081 369 T HA 0.111 4.461 4.350 -0.000 0.000 0.255 369 T C 0.871 175.619 174.700 0.081 0.000 1.113 369 T CA -0.164 61.962 62.100 0.043 0.000 1.082 369 T CB 0.070 68.953 68.868 0.025 0.000 0.939 369 T HN -0.185 nan 8.240 nan 0.000 0.506 370 V N 2.471 122.462 119.914 0.128 0.000 2.585 370 V HA 0.254 4.374 4.120 -0.000 0.000 0.296 370 V C 1.201 177.391 176.094 0.160 0.000 1.035 370 V CA -0.015 62.392 62.300 0.179 0.000 1.084 370 V CB 0.711 32.713 31.823 0.299 0.000 0.953 370 V HN 0.443 nan 8.190 nan 0.000 0.483 371 R N 2.361 122.934 120.500 0.122 0.000 2.369 371 R HA 0.320 4.660 4.340 -0.000 0.000 0.210 371 R C 0.486 176.834 176.300 0.079 0.000 0.881 371 R CA -0.031 56.124 56.100 0.092 0.000 1.031 371 R CB 0.999 31.337 30.300 0.065 0.000 1.184 371 R HN 0.789 nan 8.270 nan 0.000 0.581 372 E N 0.681 120.933 120.200 0.086 0.000 2.408 372 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 372 E C -1.443 175.198 176.600 0.068 0.000 0.935 372 E CA -0.657 55.779 56.400 0.061 0.000 0.775 372 E CB 2.077 31.806 29.700 0.047 0.000 1.277 372 E HN -0.053 nan 8.360 nan 0.000 0.455 373 I N 3.186 123.776 120.570 0.033 0.000 2.531 373 I HA 0.098 4.268 4.170 -0.000 0.000 0.283 373 I C 1.061 177.175 176.117 -0.005 0.000 1.083 373 I CA -0.405 60.904 61.300 0.015 0.000 1.071 373 I CB 1.887 39.875 38.000 -0.021 0.000 1.210 373 I HN 0.724 nan 8.210 nan 0.000 0.450 374 T N 0.995 115.547 114.554 -0.004 0.000 2.962 374 T HA 0.016 4.366 4.350 -0.000 0.000 0.270 374 T C 1.106 175.792 174.700 -0.024 0.000 1.088 374 T CA 1.002 63.098 62.100 -0.007 0.000 1.127 374 T CB 0.164 69.030 68.868 -0.003 0.000 0.883 374 T HN 0.649 nan 8.240 nan 0.000 0.493 375 G N 1.256 110.012 108.800 -0.074 0.000 3.365 375 G HA2 0.556 4.516 3.960 -0.000 0.000 0.185 375 G HA3 0.556 4.516 3.960 -0.000 0.000 0.185 375 G C -0.402 174.465 174.900 -0.056 0.000 1.565 375 G CA -0.650 44.376 45.100 -0.123 0.000 0.984 375 G HN 0.514 nan 8.290 nan 0.000 0.604 376 F N -1.703 118.227 119.950 -0.034 0.000 2.575 376 F HA 0.805 5.332 4.527 -0.000 0.000 0.330 376 F C -1.005 174.725 175.800 -0.117 0.000 1.056 376 F CA -2.082 55.875 58.000 -0.071 0.000 0.964 376 F CB 1.694 40.663 39.000 -0.052 0.000 1.258 376 F HN 0.311 nan 8.300 nan 0.000 0.484 377 L N 3.267 124.587 121.223 0.161 0.000 2.318 377 L HA 0.484 4.824 4.340 -0.000 0.000 0.277 377 L C -1.252 175.616 176.870 -0.002 0.000 1.008 377 L CA -0.351 54.479 54.840 -0.017 0.000 0.846 377 L CB 0.499 42.386 42.059 -0.286 0.000 1.220 377 L HN 0.773 nan 8.230 nan 0.000 0.423 378 N N 6.032 124.784 118.700 0.086 0.000 2.444 378 N HA 0.386 5.126 4.740 -0.000 0.000 0.262 378 N C -1.135 174.394 175.510 0.031 0.000 0.974 378 N CA -0.253 52.758 53.050 -0.063 0.000 0.933 378 N CB 1.015 39.380 38.487 -0.203 0.000 1.137 378 N HN 0.645 nan 8.380 nan 0.000 0.498 379 I N 3.604 124.147 120.570 -0.044 0.000 2.557 379 I HA 0.169 4.339 4.170 -0.000 0.000 0.277 379 I C 0.834 176.992 176.117 0.068 0.000 1.106 379 I CA -0.155 61.166 61.300 0.035 0.000 1.180 379 I CB 0.963 38.816 38.000 -0.245 0.000 1.392 379 I HN 0.384 nan 8.210 nan 0.000 0.506 380 Q N 2.376 122.248 119.800 0.120 0.000 2.246 380 Q HA 0.218 4.558 4.340 -0.000 0.000 0.202 380 Q C 0.234 176.330 176.000 0.159 0.000 0.883 380 Q CA 0.042 55.907 55.803 0.103 0.000 0.952 380 Q CB 0.818 29.591 28.738 0.059 0.000 1.078 380 Q HN 0.550 nan 8.270 nan 0.000 0.493 381 S N -0.200 115.645 115.700 0.242 0.000 2.558 381 S HA 0.486 4.956 4.470 -0.000 0.000 0.277 381 S C -2.487 172.356 174.600 0.405 0.000 1.143 381 S CA -0.709 57.638 58.200 0.244 0.000 0.865 381 S CB 1.234 64.519 63.200 0.141 0.000 1.102 381 S HN 0.401 nan 8.310 nan 0.000 0.454 382 W N 3.374 124.688 121.300 0.023 0.000 3.296 382 W HA 0.378 5.038 4.660 -0.000 0.000 0.314 382 W C -3.175 173.322 176.519 -0.037 0.000 1.238 382 W CA -1.985 55.356 57.345 -0.007 0.000 1.193 382 W CB 1.531 30.996 29.460 0.007 0.000 1.383 382 W HN 0.512 nan 8.180 nan 0.000 0.545 383 P HA 0.004 nan 4.420 nan 0.000 0.260 383 P C -1.992 175.273 177.300 -0.059 0.000 1.172 383 P CA -0.023 62.932 63.100 -0.242 0.000 0.760 383 P CB 0.400 31.867 31.700 -0.389 0.000 0.773 384 P HA -0.225 nan 4.420 nan 0.000 0.217 384 P C 0.979 178.302 177.300 0.039 0.000 1.151 384 P CA 1.515 64.656 63.100 0.068 0.000 0.849 384 P CB -0.246 31.506 31.700 0.086 0.000 0.787 385 N N -1.416 117.288 118.700 0.007 0.000 2.398 385 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 385 N C 0.240 175.746 175.510 -0.007 0.000 1.122 385 N CA 0.306 53.356 53.050 -0.000 0.000 0.866 385 N CB -0.439 38.041 38.487 -0.010 0.000 0.970 385 N HN 0.220 nan 8.380 nan 0.000 0.462 386 M N 0.973 120.569 119.600 -0.007 0.000 2.080 386 M HA 0.176 4.656 4.480 -0.000 0.000 0.350 386 M C 0.517 176.837 176.300 0.034 0.000 1.173 386 M CA -0.265 55.045 55.300 0.017 0.000 1.052 386 M CB 1.493 34.091 32.600 -0.002 0.000 1.577 386 M HN -0.123 nan 8.290 nan 0.000 0.455 387 T N 0.905 115.447 114.554 -0.019 0.000 2.995 387 T HA -0.033 4.317 4.350 -0.000 0.000 0.269 387 T C 0.075 174.673 174.700 -0.170 0.000 1.091 387 T CA 1.085 63.152 62.100 -0.055 0.000 1.128 387 T CB -0.273 68.583 68.868 -0.020 0.000 0.891 387 T HN 0.827 nan 8.240 nan 0.000 0.492 388 D N -1.067 119.179 120.400 -0.257 0.000 2.812 388 D HA 0.326 4.966 4.640 -0.000 0.000 0.318 388 D C -1.136 174.745 176.300 -0.698 0.000 1.234 388 D CA -0.995 52.724 54.000 -0.468 0.000 0.989 388 D CB 0.017 40.685 40.800 -0.220 0.000 1.442 388 D HN 0.055 nan 8.370 nan 0.000 0.537 389 F N 0.264 120.002 119.950 -0.353 0.000 2.928 389 F HA 0.260 4.787 4.527 -0.000 0.000 0.337 389 F C 1.589 177.241 175.800 -0.248 0.000 1.259 389 F CA -0.591 57.190 58.000 -0.366 0.000 1.267 389 F CB 0.584 39.100 39.000 -0.806 0.000 0.986 389 F HN 0.346 nan 8.300 nan 0.000 0.507 390 S N -1.214 114.458 115.700 -0.046 0.000 2.595 390 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 390 S C 1.825 176.442 174.600 0.028 0.000 0.974 390 S CA 0.817 58.996 58.200 -0.034 0.000 0.942 390 S CB -0.901 62.272 63.200 -0.044 0.000 0.766 390 S HN 0.387 nan 8.310 nan 0.000 0.536 391 V N -2.979 116.983 119.914 0.081 0.000 3.217 391 V HA 0.299 4.419 4.120 -0.000 0.000 0.264 391 V C 1.130 177.160 176.094 -0.107 0.000 1.135 391 V CA 0.705 63.009 62.300 0.006 0.000 1.142 391 V CB -1.367 30.474 31.823 0.030 0.000 0.754 391 V HN 0.447 nan 8.190 nan 0.000 0.484 392 F N 0.493 120.507 119.950 0.106 0.000 2.750 392 F HA 0.405 4.932 4.527 -0.000 0.000 0.297 392 F C 2.079 177.915 175.800 0.060 0.000 1.138 392 F CA 0.029 58.101 58.000 0.119 0.000 1.346 392 F CB 0.228 39.342 39.000 0.189 0.000 0.965 392 F HN -0.022 nan 8.300 nan 0.000 0.514 393 S N 0.182 115.955 115.700 0.122 0.000 2.400 393 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 393 S C 1.638 176.273 174.600 0.058 0.000 1.025 393 S CA 1.324 59.554 58.200 0.050 0.000 0.993 393 S CB -0.193 63.016 63.200 0.015 0.000 0.808 393 S HN 0.420 nan 8.310 nan 0.000 0.478 394 N N 0.712 119.464 118.700 0.086 0.000 2.336 394 N HA 0.180 4.920 4.740 -0.000 0.000 0.189 394 N C -0.233 175.334 175.510 0.095 0.000 1.113 394 N CA -0.060 53.034 53.050 0.073 0.000 0.858 394 N CB -0.105 38.421 38.487 0.064 0.000 0.970 394 N HN 0.248 nan 8.380 nan 0.000 0.471 395 L N 0.874 122.184 121.223 0.144 0.000 2.477 395 L HA 0.052 4.392 4.340 -0.000 0.000 0.272 395 L C 0.843 177.731 176.870 0.029 0.000 1.157 395 L CA 0.371 55.288 54.840 0.127 0.000 0.889 395 L CB 0.637 42.807 42.059 0.186 0.000 1.158 395 L HN -0.104 nan 8.230 nan 0.000 0.473 396 V N 2.788 122.717 119.914 0.025 0.000 2.743 396 V HA 0.188 4.308 4.120 -0.000 0.000 0.237 396 V C 0.726 176.819 176.094 -0.002 0.000 1.113 396 V CA 0.939 63.245 62.300 0.010 0.000 1.141 396 V CB 0.354 32.193 31.823 0.026 0.000 0.873 396 V HN 0.836 nan 8.190 nan 0.000 0.486 397 T N 1.421 115.978 114.554 0.004 0.000 2.829 397 T HA 0.657 5.007 4.350 -0.000 0.000 0.280 397 T C -0.549 174.143 174.700 -0.013 0.000 0.999 397 T CA 0.005 62.108 62.100 0.005 0.000 0.983 397 T CB 2.127 71.008 68.868 0.021 0.000 0.968 397 T HN 0.027 nan 8.240 nan 0.000 0.446 398 I N 2.713 123.273 120.570 -0.015 0.000 2.537 398 I HA 0.271 4.441 4.170 -0.000 0.000 0.276 398 I C 1.529 177.655 176.117 0.014 0.000 1.063 398 I CA -0.663 60.620 61.300 -0.027 0.000 1.144 398 I CB 1.205 39.162 38.000 -0.072 0.000 1.252 398 I HN 0.910 nan 8.210 nan 0.000 0.480 399 G N 3.274 112.083 108.800 0.016 0.000 2.469 399 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 399 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 399 G C 1.366 176.289 174.900 0.037 0.000 1.136 399 G CA 0.872 45.989 45.100 0.027 0.000 0.759 399 G HN 0.916 nan 8.290 nan 0.000 0.562 400 G N -0.086 108.743 108.800 0.047 0.000 2.225 400 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 400 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 400 G C 1.099 176.038 174.900 0.066 0.000 1.024 400 G CA 1.157 46.302 45.100 0.076 0.000 0.784 400 G HN 0.753 nan 8.290 nan 0.000 0.507 401 R N -0.952 119.575 120.500 0.045 0.000 2.127 401 R HA 0.110 4.450 4.340 -0.000 0.000 0.238 401 R C 0.701 177.034 176.300 0.055 0.000 1.134 401 R CA 1.839 57.960 56.100 0.035 0.000 0.975 401 R CB -0.034 30.277 30.300 0.018 0.000 0.865 401 R HN 0.398 nan 8.270 nan 0.000 0.447 402 V N 1.254 121.220 119.914 0.087 0.000 2.680 402 V HA 0.408 4.528 4.120 -0.000 0.000 0.309 402 V C -0.511 175.783 176.094 0.333 0.000 1.052 402 V CA -0.807 61.585 62.300 0.153 0.000 0.908 402 V CB 2.066 33.951 31.823 0.104 0.000 1.001 402 V HN 0.101 nan 8.190 nan 0.000 0.431 403 L N 2.802 124.206 121.223 0.303 0.000 2.333 403 L HA 0.534 4.874 4.340 -0.000 0.000 0.263 403 L C -1.376 175.538 176.870 0.072 0.000 1.014 403 L CA -0.890 54.091 54.840 0.236 0.000 0.820 403 L CB 2.261 44.362 42.059 0.069 0.000 1.352 403 L HN 0.621 nan 8.230 nan 0.000 0.421 404 Y N 1.984 121.971 120.300 -0.523 0.000 2.676 404 Y HA 0.173 4.723 4.550 -0.000 0.000 0.338 404 Y C 0.651 176.352 175.900 -0.332 0.000 1.057 404 Y CA -0.542 57.176 58.100 -0.636 0.000 1.314 404 Y CB 0.254 38.056 38.460 -1.096 0.000 1.164 404 Y HN 0.681 nan 8.280 nan 0.000 0.509 405 S N 2.815 118.331 115.700 -0.307 0.000 3.405 405 S HA -0.205 4.265 4.470 -0.000 0.000 0.373 405 S C 1.021 175.525 174.600 -0.160 0.000 0.939 405 S CA 1.017 59.065 58.200 -0.253 0.000 1.295 405 S CB -2.150 60.834 63.200 -0.360 0.000 0.919 405 S HN 2.252 nan 8.310 nan 0.000 0.535 406 G N -0.302 108.438 108.800 -0.101 0.000 2.184 406 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 406 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 406 G C -0.028 174.836 174.900 -0.061 0.000 0.975 406 G CA 0.441 45.500 45.100 -0.070 0.000 0.642 406 G HN 1.246 nan 8.290 nan 0.000 0.536 407 L N 0.575 121.753 121.223 -0.076 0.000 2.334 407 L HA 0.670 5.010 4.340 -0.000 0.000 0.276 407 L C 1.375 178.210 176.870 -0.058 0.000 1.014 407 L CA -0.112 54.691 54.840 -0.062 0.000 0.815 407 L CB 2.072 44.086 42.059 -0.075 0.000 1.268 407 L HN 0.226 nan 8.230 nan 0.000 0.428 408 S N 1.556 117.253 115.700 -0.005 0.000 2.520 408 S HA 0.340 4.810 4.470 -0.000 0.000 0.219 408 S C -0.178 174.440 174.600 0.030 0.000 1.028 408 S CA -0.213 58.026 58.200 0.066 0.000 0.921 408 S CB 0.470 63.711 63.200 0.068 0.000 0.844 408 S HN 0.358 nan 8.310 nan 0.000 0.495 409 L N 0.988 122.190 121.223 -0.036 0.000 2.455 409 L HA 0.739 5.079 4.340 -0.000 0.000 0.264 409 L C -2.118 174.688 176.870 -0.106 0.000 0.968 409 L CA -0.757 54.018 54.840 -0.108 0.000 0.827 409 L CB 1.978 43.952 42.059 -0.143 0.000 1.317 409 L HN 0.279 nan 8.230 nan 0.000 0.407 410 L N 6.095 127.230 121.223 -0.148 0.000 2.493 410 L HA 0.608 4.948 4.340 -0.000 0.000 0.265 410 L C -1.158 175.635 176.870 -0.128 0.000 0.954 410 L CA -0.360 54.415 54.840 -0.108 0.000 0.844 410 L CB 2.269 44.224 42.059 -0.173 0.000 1.302 410 L HN 0.498 nan 8.230 nan 0.000 0.405 411 I N 4.136 124.673 120.570 -0.055 0.000 2.595 411 I HA 0.300 4.470 4.170 -0.000 0.000 0.276 411 I C -1.154 174.983 176.117 0.033 0.000 1.109 411 I CA -0.215 61.051 61.300 -0.057 0.000 1.084 411 I CB 1.826 39.772 38.000 -0.090 0.000 1.206 411 I HN 0.300 nan 8.210 nan 0.000 0.486 412 L N 5.238 126.488 121.223 0.046 0.000 2.334 412 L HA 0.495 4.835 4.340 -0.000 0.000 0.270 412 L C 0.665 177.582 176.870 0.079 0.000 1.018 412 L CA -0.139 54.745 54.840 0.074 0.000 0.811 412 L CB 1.085 43.179 42.059 0.058 0.000 1.271 412 L HN 0.408 nan 8.230 nan 0.000 0.443 413 K N 1.457 121.901 120.400 0.074 0.000 3.139 413 K HA -0.232 4.088 4.320 -0.000 0.000 0.261 413 K C -0.722 175.932 176.600 0.090 0.000 0.895 413 K CA 0.482 56.814 56.287 0.074 0.000 0.664 413 K CB -1.123 31.421 32.500 0.073 0.000 1.388 413 K HN 0.407 nan 8.250 nan 0.000 0.472 414 Q N 0.590 120.447 119.800 0.095 0.000 2.290 414 Q HA 0.148 4.488 4.340 -0.000 0.000 0.259 414 Q C 0.925 176.977 176.000 0.088 0.000 0.941 414 Q CA -0.128 55.744 55.803 0.115 0.000 0.912 414 Q CB 1.628 30.455 28.738 0.148 0.000 1.244 414 Q HN 0.163 nan 8.270 nan 0.000 0.441 415 Q N 0.715 120.567 119.800 0.088 0.000 2.378 415 Q HA 0.137 4.477 4.340 -0.000 0.000 0.216 415 Q C 1.210 177.249 176.000 0.065 0.000 0.892 415 Q CA 0.600 56.444 55.803 0.069 0.000 0.931 415 Q CB 0.587 29.364 28.738 0.065 0.000 1.086 415 Q HN 0.778 nan 8.270 nan 0.000 0.528 416 G N 1.636 110.481 108.800 0.075 0.000 2.985 416 G HA2 0.219 4.179 3.960 -0.000 0.000 0.209 416 G HA3 0.219 4.179 3.960 -0.000 0.000 0.209 416 G C 0.687 175.607 174.900 0.033 0.000 1.165 416 G CA -0.170 44.967 45.100 0.061 0.000 0.776 416 G HN 0.320 nan 8.290 nan 0.000 0.541 417 I N -2.618 117.962 120.570 0.017 0.000 2.354 417 I HA 0.557 4.727 4.170 -0.000 0.000 0.292 417 I C 0.620 176.763 176.117 0.043 0.000 0.989 417 I CA -0.794 60.484 61.300 -0.036 0.000 1.188 417 I CB 2.107 40.026 38.000 -0.134 0.000 1.342 417 I HN -0.211 nan 8.210 nan 0.000 0.457 418 T N 3.058 117.648 114.554 0.060 0.000 3.021 418 T HA 0.109 4.459 4.350 -0.000 0.000 0.245 418 T C 0.784 175.639 174.700 0.258 0.000 1.028 418 T CA 0.835 63.024 62.100 0.148 0.000 1.139 418 T CB 0.028 68.984 68.868 0.146 0.000 0.884 418 T HN 0.846 nan 8.240 nan 0.000 0.457 419 S N -0.546 115.263 115.700 0.182 0.000 2.697 419 S HA 0.667 5.137 4.470 -0.000 0.000 0.289 419 S C 0.590 175.269 174.600 0.132 0.000 1.149 419 S CA -0.922 57.409 58.200 0.218 0.000 0.850 419 S CB 1.351 64.546 63.200 -0.009 0.000 1.151 419 S HN 0.077 nan 8.310 nan 0.000 0.491 420 L N -0.091 121.259 121.223 0.212 0.000 2.121 420 L HA 0.213 4.553 4.340 -0.000 0.000 0.200 420 L C 0.639 177.393 176.870 -0.193 0.000 1.077 420 L CA 0.369 55.309 54.840 0.166 0.000 0.766 420 L CB -0.673 41.713 42.059 0.544 0.000 0.931 420 L HN 0.791 nan 8.230 nan 0.000 0.452 421 Q N -0.761 119.014 119.800 -0.042 0.000 2.502 421 Q HA -0.217 4.123 4.340 -0.000 0.000 0.273 421 Q C -0.268 175.510 176.000 -0.370 0.000 1.127 421 Q CA 0.507 56.228 55.803 -0.137 0.000 0.952 421 Q CB -2.467 26.182 28.738 -0.148 0.000 1.333 421 Q HN 0.377 nan 8.270 nan 0.000 0.494 422 F N 1.364 120.989 119.950 -0.541 0.000 2.651 422 F HA 0.022 4.549 4.527 -0.000 0.000 0.369 422 F C 2.105 177.297 175.800 -1.014 0.000 1.187 422 F CA 0.532 58.031 58.000 -0.836 0.000 1.335 422 F CB -0.099 38.149 39.000 -1.253 0.000 1.707 422 F HN 0.242 nan 8.300 nan 0.000 0.637 423 Q N 0.468 120.052 119.800 -0.360 0.000 2.084 423 Q HA -0.304 4.036 4.340 -0.000 0.000 0.215 423 Q C 1.840 177.787 176.000 -0.088 0.000 1.020 423 Q CA 2.674 58.387 55.803 -0.150 0.000 0.887 423 Q CB -0.083 28.627 28.738 -0.047 0.000 0.975 423 Q HN 0.451 nan 8.270 nan 0.000 0.413 424 S N -0.030 115.627 115.700 -0.072 0.000 2.593 424 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 424 S C 0.157 174.740 174.600 -0.028 0.000 0.966 424 S CA -0.377 57.814 58.200 -0.015 0.000 0.914 424 S CB 0.090 63.295 63.200 0.009 0.000 0.776 424 S HN 0.331 nan 8.310 nan 0.000 0.523 425 L N 2.824 123.963 121.223 -0.139 0.000 2.584 425 L HA 0.093 4.433 4.340 -0.000 0.000 0.272 425 L C 0.670 177.574 176.870 0.056 0.000 1.195 425 L CA 1.087 55.848 54.840 -0.130 0.000 0.920 425 L CB 0.112 41.920 42.059 -0.418 0.000 1.173 425 L HN -0.041 nan 8.230 nan 0.000 0.489 426 K N 3.014 123.444 120.400 0.050 0.000 2.562 426 K HA 0.254 4.574 4.320 -0.000 0.000 0.218 426 K C -0.348 176.291 176.600 0.064 0.000 1.374 426 K CA -0.082 56.250 56.287 0.076 0.000 0.996 426 K CB 0.954 33.487 32.500 0.057 0.000 1.127 426 K HN 0.648 nan 8.250 nan 0.000 0.603 427 E N 1.129 121.361 120.200 0.053 0.000 2.290 427 E HA 0.352 4.702 4.350 -0.000 0.000 0.274 427 E C -1.400 175.245 176.600 0.076 0.000 0.889 427 E CA -0.415 56.026 56.400 0.069 0.000 0.760 427 E CB 1.699 31.433 29.700 0.056 0.000 1.206 427 E HN 0.022 nan 8.360 nan 0.000 0.419 428 I N 4.134 124.787 120.570 0.138 0.000 2.862 428 I HA 0.095 4.265 4.170 -0.000 0.000 0.285 428 I C 1.005 177.231 176.117 0.182 0.000 1.339 428 I CA -0.133 61.266 61.300 0.164 0.000 1.002 428 I CB 1.015 39.175 38.000 0.267 0.000 1.618 428 I HN 0.491 nan 8.210 nan 0.000 0.593 429 S N 2.516 118.281 115.700 0.107 0.000 2.422 429 S HA -0.249 4.221 4.470 -0.000 0.000 0.248 429 S C 1.020 175.652 174.600 0.053 0.000 1.069 429 S CA 2.196 60.443 58.200 0.079 0.000 1.214 429 S CB -0.079 63.151 63.200 0.050 0.000 1.122 429 S HN 0.732 nan 8.310 nan 0.000 0.432 430 A N -0.670 122.169 122.820 0.032 0.000 2.437 430 A HA 0.733 5.053 4.320 -0.000 0.000 0.288 430 A C 0.377 177.942 177.584 -0.032 0.000 1.201 430 A CA -0.122 51.904 52.037 -0.018 0.000 0.795 430 A CB 0.724 19.720 19.000 -0.007 0.000 1.359 430 A HN 1.631 nan 8.150 nan 0.000 0.435 431 G N -0.179 108.574 108.800 -0.077 0.000 2.781 431 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.683 431 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.683 431 G C -0.892 173.922 174.900 -0.143 0.000 1.390 431 G CA -0.266 44.791 45.100 -0.072 0.000 0.850 431 G HN 1.057 nan 8.290 nan 0.000 0.557 432 N N -0.862 117.781 118.700 -0.095 0.000 2.443 432 N HA 0.660 5.400 4.740 -0.000 0.000 0.293 432 N C 0.189 175.710 175.510 0.018 0.000 1.159 432 N CA -0.544 52.455 53.050 -0.085 0.000 0.904 432 N CB 1.595 40.046 38.487 -0.061 0.000 1.214 432 N HN 0.568 nan 8.380 nan 0.000 0.513 433 I N 0.678 121.287 120.570 0.065 0.000 2.488 433 I HA 0.257 4.427 4.170 -0.000 0.000 0.299 433 I C -0.871 175.225 176.117 -0.035 0.000 0.984 433 I CA -0.653 60.640 61.300 -0.012 0.000 1.250 433 I CB 0.970 38.891 38.000 -0.131 0.000 1.389 433 I HN 0.449 nan 8.210 nan 0.000 0.488 434 Y N 6.395 126.581 120.300 -0.190 0.000 2.359 434 Y HA 0.498 5.048 4.550 -0.000 0.000 0.336 434 Y C -1.102 174.694 175.900 -0.173 0.000 1.098 434 Y CA -0.502 57.500 58.100 -0.163 0.000 1.272 434 Y CB 0.873 39.267 38.460 -0.109 0.000 1.112 434 Y HN 0.336 nan 8.280 nan 0.000 0.481 435 I N 5.995 126.445 120.570 -0.200 0.000 2.371 435 I HA 0.418 4.588 4.170 -0.000 0.000 0.282 435 I C -0.623 175.373 176.117 -0.202 0.000 1.031 435 I CA -0.127 61.090 61.300 -0.137 0.000 1.180 435 I CB 1.379 39.282 38.000 -0.162 0.000 1.336 435 I HN 0.475 nan 8.210 nan 0.000 0.467 436 T N 2.897 117.412 114.554 -0.065 0.000 2.903 436 T HA 0.287 4.637 4.350 -0.000 0.000 0.299 436 T C -0.281 174.413 174.700 -0.011 0.000 1.093 436 T CA -0.541 61.511 62.100 -0.079 0.000 1.002 436 T CB 1.914 70.778 68.868 -0.008 0.000 1.127 436 T HN 0.601 nan 8.240 nan 0.000 0.488 437 D N 1.558 121.936 120.400 -0.038 0.000 2.800 437 D HA -0.132 4.508 4.640 -0.000 0.000 0.232 437 D C -0.486 175.812 176.300 -0.003 0.000 1.137 437 D CA 0.485 54.480 54.000 -0.007 0.000 0.718 437 D CB -0.873 39.947 40.800 0.034 0.000 1.084 437 D HN 0.472 nan 8.370 nan 0.000 0.432 438 N N 0.532 119.208 118.700 -0.041 0.000 3.112 438 N HA 0.084 4.824 4.740 -0.000 0.000 0.270 438 N C 1.252 176.753 175.510 -0.015 0.000 1.385 438 N CA 0.039 53.082 53.050 -0.011 0.000 0.986 438 N CB 1.193 39.674 38.487 -0.010 0.000 1.261 438 N HN 0.137 nan 8.380 nan 0.000 0.495 439 S N 0.292 115.995 115.700 0.006 0.000 2.488 439 S HA -0.135 4.335 4.470 -0.000 0.000 0.246 439 S C 0.922 175.548 174.600 0.043 0.000 0.992 439 S CA 0.995 59.206 58.200 0.019 0.000 0.963 439 S CB -0.061 63.153 63.200 0.022 0.000 0.754 439 S HN 0.307 nan 8.310 nan 0.000 0.519 440 N N 0.134 118.867 118.700 0.055 0.000 2.184 440 N HA 0.353 5.093 4.740 -0.000 0.000 0.206 440 N C -0.643 174.936 175.510 0.114 0.000 1.151 440 N CA -0.225 52.870 53.050 0.075 0.000 0.878 440 N CB 0.524 39.049 38.487 0.064 0.000 1.014 440 N HN 0.374 nan 8.380 nan 0.000 0.512 441 L N 0.812 122.109 121.223 0.124 0.000 2.276 441 L HA 0.473 4.813 4.340 -0.000 0.000 0.286 441 L C -0.489 176.620 176.870 0.399 0.000 1.061 441 L CA -0.283 54.682 54.840 0.210 0.000 0.807 441 L CB 0.309 42.450 42.059 0.138 0.000 1.177 441 L HN 0.054 nan 8.230 nan 0.000 0.429 442 c N 2.431 121.307 118.600 0.460 0.000 3.205 442 c HA 0.532 5.102 4.570 -0.000 0.000 0.372 442 c C 0.445 174.765 174.090 0.383 0.000 1.892 442 c CA -0.306 56.280 56.329 0.429 0.000 1.516 442 c CB 0.956 43.489 42.510 0.037 0.000 2.371 442 c HN 0.959 nan 8.230 nan 0.000 0.468 443 Y N -2.161 118.113 120.300 -0.042 0.000 3.694 443 Y HA -0.391 4.159 4.550 -0.000 0.000 0.400 443 Y C 1.645 177.337 175.900 -0.348 0.000 1.200 443 Y CA 1.990 59.929 58.100 -0.269 0.000 2.245 443 Y CB -2.268 36.167 38.460 -0.042 0.000 0.883 443 Y HN 0.856 nan 8.280 nan 0.000 0.478 444 Y N 0.697 121.106 120.300 0.182 0.000 2.256 444 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 444 Y C 2.593 178.649 175.900 0.260 0.000 1.155 444 Y CA 1.857 60.142 58.100 0.307 0.000 1.203 444 Y CB -1.250 37.428 38.460 0.363 0.000 0.980 444 Y HN 0.549 nan 8.280 nan 0.000 0.530 445 H N -1.230 117.368 119.070 -0.787 0.000 2.462 445 H HA 0.034 4.590 4.556 -0.000 0.000 0.292 445 H C 1.223 176.426 175.328 -0.207 0.000 1.049 445 H CA 1.375 57.175 56.048 -0.415 0.000 1.334 445 H CB -1.092 28.327 29.762 -0.571 0.000 1.404 445 H HN 0.405 nan 8.280 nan 0.000 0.544 446 T N 1.731 115.854 114.554 -0.719 0.000 3.035 446 T HA 0.122 4.472 4.350 -0.000 0.000 0.268 446 T C 1.188 175.631 174.700 -0.428 0.000 1.109 446 T CA 0.230 62.038 62.100 -0.487 0.000 1.119 446 T CB -0.093 68.484 68.868 -0.485 0.000 0.900 446 T HN 0.209 nan 8.240 nan 0.000 0.503 447 I N 2.684 122.935 120.570 -0.531 0.000 2.529 447 I HA 0.137 4.307 4.170 -0.000 0.000 0.284 447 I C 0.644 176.297 176.117 -0.773 0.000 1.082 447 I CA -0.515 60.252 61.300 -0.889 0.000 1.406 447 I CB 0.465 37.496 38.000 -1.615 0.000 1.405 447 I HN -0.007 nan 8.210 nan 0.000 0.548 448 N N 6.296 124.593 118.700 -0.672 0.000 3.083 448 N HA 0.063 4.803 4.740 -0.000 0.000 0.260 448 N C 0.471 175.691 175.510 -0.484 0.000 1.163 448 N CA -0.376 52.432 53.050 -0.403 0.000 1.060 448 N CB 0.252 38.578 38.487 -0.269 0.000 1.345 448 N HN 0.530 nan 8.380 nan 0.000 0.515 449 W N 1.349 122.470 121.300 -0.298 0.000 2.321 449 W HA -0.151 4.509 4.660 -0.000 0.000 0.285 449 W C 2.052 178.138 176.519 -0.723 0.000 1.213 449 W CA 0.847 57.888 57.345 -0.506 0.000 1.205 449 W CB -0.767 28.394 29.460 -0.498 0.000 1.134 449 W HN 0.328 nan 8.180 nan 0.000 0.549 450 T N -0.438 113.977 114.554 -0.230 0.000 2.849 450 T HA -0.215 4.135 4.350 -0.000 0.000 0.270 450 T C 1.573 176.220 174.700 -0.087 0.000 1.066 450 T CA 1.933 63.984 62.100 -0.082 0.000 1.130 450 T CB -0.580 68.314 68.868 0.043 0.000 0.864 450 T HN 0.178 nan 8.240 nan 0.000 0.481 451 T N 2.148 116.607 114.554 -0.158 0.000 2.788 451 T HA 0.058 4.408 4.350 -0.000 0.000 0.268 451 T C 1.829 176.487 174.700 -0.071 0.000 1.044 451 T CA 0.861 62.895 62.100 -0.111 0.000 1.139 451 T CB -0.277 68.494 68.868 -0.161 0.000 0.867 451 T HN 0.349 nan 8.240 nan 0.000 0.454 452 L N -0.860 120.282 121.223 -0.134 0.000 2.341 452 L HA 0.244 4.584 4.340 -0.000 0.000 0.214 452 L C 0.923 177.866 176.870 0.122 0.000 1.115 452 L CA 0.127 54.952 54.840 -0.024 0.000 0.820 452 L CB -0.426 41.623 42.059 -0.017 0.000 0.944 452 L HN 0.219 nan 8.230 nan 0.000 0.452 453 F N -0.556 119.450 119.950 0.092 0.000 2.480 453 F HA -0.065 4.462 4.527 -0.000 0.000 0.319 453 F C 1.621 177.451 175.800 0.050 0.000 1.230 453 F CA 0.041 58.086 58.000 0.075 0.000 1.285 453 F CB 0.657 39.704 39.000 0.078 0.000 1.208 453 F HN -0.192 nan 8.300 nan 0.000 0.579 454 S N -0.773 115.080 115.700 0.254 0.000 2.733 454 S HA 0.251 4.721 4.470 -0.000 0.000 0.247 454 S C -0.252 174.395 174.600 0.079 0.000 1.043 454 S CA -0.018 58.260 58.200 0.129 0.000 1.066 454 S CB 0.017 63.273 63.200 0.092 0.000 1.045 454 S HN 0.711 nan 8.310 nan 0.000 0.586 455 T N 0.604 115.197 114.554 0.065 0.000 2.762 455 T HA 0.433 4.783 4.350 -0.000 0.000 0.301 455 T C 0.782 175.489 174.700 0.012 0.000 1.299 455 T CA -0.646 61.466 62.100 0.020 0.000 1.005 455 T CB 1.111 69.966 68.868 -0.021 0.000 1.377 455 T HN 0.046 nan 8.240 nan 0.000 0.504 456 I N 0.660 121.233 120.570 0.005 0.000 2.500 456 I HA -0.026 4.144 4.170 -0.000 0.000 0.252 456 I C 1.134 177.231 176.117 -0.033 0.000 1.142 456 I CA 0.600 61.905 61.300 0.009 0.000 1.451 456 I CB -0.525 37.483 38.000 0.013 0.000 1.093 456 I HN 0.585 nan 8.210 nan 0.000 0.430 457 N N 2.169 120.833 118.700 -0.060 0.000 3.115 457 N HA 0.050 4.790 4.740 -0.000 0.000 0.305 457 N C -0.532 174.877 175.510 -0.168 0.000 1.305 457 N CA 0.122 53.120 53.050 -0.085 0.000 1.154 457 N CB -0.251 38.198 38.487 -0.064 0.000 1.454 457 N HN 0.438 nan 8.380 nan 0.000 0.551 458 Q N 0.566 120.217 119.800 -0.249 0.000 2.483 458 Q HA 0.310 4.650 4.340 -0.000 0.000 0.245 458 Q C -0.729 175.004 176.000 -0.445 0.000 0.902 458 Q CA -0.586 54.897 55.803 -0.533 0.000 0.767 458 Q CB 1.665 29.775 28.738 -1.047 0.000 1.341 458 Q HN 0.423 nan 8.270 nan 0.000 0.453 459 R N 1.036 121.404 120.500 -0.219 0.000 2.541 459 R HA 0.720 5.060 4.340 -0.000 0.000 0.254 459 R C -0.369 175.981 176.300 0.083 0.000 1.130 459 R CA -0.632 55.458 56.100 -0.017 0.000 1.152 459 R CB 0.714 31.002 30.300 -0.020 0.000 1.222 459 R HN 0.292 nan 8.270 nan 0.000 0.579 460 I N -0.482 120.141 120.570 0.089 0.000 2.647 460 I HA 0.358 4.528 4.170 -0.000 0.000 0.295 460 I C -1.044 175.003 176.117 -0.116 0.000 1.078 460 I CA -0.820 60.472 61.300 -0.013 0.000 1.048 460 I CB 2.336 40.292 38.000 -0.073 0.000 1.239 460 I HN 0.182 nan 8.210 nan 0.000 0.421 461 V N 6.083 125.853 119.914 -0.239 0.000 2.447 461 V HA 0.541 4.661 4.120 -0.000 0.000 0.292 461 V C -0.471 175.354 176.094 -0.448 0.000 1.021 461 V CA -0.340 61.753 62.300 -0.344 0.000 0.850 461 V CB 1.496 33.026 31.823 -0.489 0.000 1.005 461 V HN 0.513 nan 8.190 nan 0.000 0.426 462 I N 5.190 125.584 120.570 -0.292 0.000 2.478 462 I HA 0.589 4.759 4.170 -0.000 0.000 0.287 462 I C 0.277 176.293 176.117 -0.169 0.000 1.042 462 I CA -0.410 60.753 61.300 -0.228 0.000 1.067 462 I CB 2.216 40.198 38.000 -0.030 0.000 1.233 462 I HN 0.588 nan 8.210 nan 0.000 0.431 463 R N 2.868 123.245 120.500 -0.205 0.000 2.721 463 R HA 0.291 4.631 4.340 -0.000 0.000 0.104 463 R C -0.399 175.837 176.300 -0.107 0.000 1.052 463 R CA -0.820 55.203 56.100 -0.129 0.000 0.852 463 R CB 0.202 30.423 30.300 -0.132 0.000 0.799 463 R HN 0.458 nan 8.270 nan 0.000 0.373 464 D N 2.441 122.792 120.400 -0.082 0.000 2.911 464 D HA 0.028 4.668 4.640 -0.000 0.000 0.233 464 D C -0.639 175.616 176.300 -0.076 0.000 1.134 464 D CA 0.523 54.491 54.000 -0.054 0.000 1.011 464 D CB -0.527 40.258 40.800 -0.026 0.000 1.174 464 D HN 0.175 nan 8.370 nan 0.000 0.440 465 N N 1.049 119.663 118.700 -0.144 0.000 2.508 465 N HA 0.111 4.851 4.740 -0.000 0.000 0.285 465 N C 0.526 176.028 175.510 -0.014 0.000 1.144 465 N CA -0.603 52.319 53.050 -0.213 0.000 0.978 465 N CB 1.483 39.502 38.487 -0.781 0.000 1.180 465 N HN 0.164 nan 8.380 nan 0.000 0.484 466 R N 1.373 121.912 120.500 0.065 0.000 2.486 466 R HA -0.110 4.230 4.340 -0.000 0.000 0.304 466 R C -0.223 176.182 176.300 0.174 0.000 0.913 466 R CA 0.325 56.494 56.100 0.116 0.000 1.124 466 R CB 0.140 30.512 30.300 0.121 0.000 0.891 466 R HN 0.370 nan 8.270 nan 0.000 0.410 467 K N 3.739 124.185 120.400 0.077 0.000 2.543 467 K HA -0.163 4.157 4.320 -0.000 0.000 0.279 467 K C 1.351 177.890 176.600 -0.101 0.000 1.001 467 K CA 0.385 56.682 56.287 0.018 0.000 1.088 467 K CB 0.394 32.883 32.500 -0.019 0.000 0.863 467 K HN 0.790 nan 8.250 nan 0.000 0.488 468 A N 4.365 127.008 122.820 -0.294 0.000 1.915 468 A HA -0.298 4.022 4.320 -0.000 0.000 0.220 468 A C 1.822 179.141 177.584 -0.441 0.000 1.198 468 A CA 2.060 53.593 52.037 -0.840 0.000 0.647 468 A CB -0.395 18.048 19.000 -0.927 0.000 0.825 468 A HN 0.853 nan 8.150 nan 0.000 0.456 469 E N -0.184 119.873 120.200 -0.238 0.000 2.038 469 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 469 E C 1.868 178.411 176.600 -0.095 0.000 1.000 469 E CA 1.329 57.648 56.400 -0.136 0.000 0.803 469 E CB -0.408 29.239 29.700 -0.089 0.000 0.750 469 E HN 0.642 nan 8.360 nan 0.000 0.448 470 N N -0.415 118.241 118.700 -0.072 0.000 2.635 470 N HA -0.083 4.657 4.740 -0.000 0.000 0.191 470 N C 0.433 175.919 175.510 -0.041 0.000 1.155 470 N CA 0.560 53.586 53.050 -0.041 0.000 0.927 470 N CB -0.095 38.380 38.487 -0.019 0.000 0.976 470 N HN 0.192 nan 8.380 nan 0.000 0.448 471 c N -2.543 116.018 118.600 -0.066 0.000 2.519 471 c HA 0.163 4.733 4.570 -0.000 0.000 0.297 471 c C 2.416 176.460 174.090 -0.076 0.000 1.414 471 c CA 0.196 56.482 56.329 -0.073 0.000 1.893 471 c CB -0.714 41.743 42.510 -0.088 0.000 2.134 471 c HN 0.351 nan 8.230 nan 0.000 0.580 472 T N 1.824 116.334 114.554 -0.074 0.000 2.751 472 T HA -0.236 4.114 4.350 -0.000 0.000 0.268 472 T C 1.751 176.427 174.700 -0.041 0.000 1.045 472 T CA 2.194 64.265 62.100 -0.048 0.000 1.142 472 T CB -0.321 68.513 68.868 -0.056 0.000 0.851 472 T HN 0.673 nan 8.240 nan 0.000 0.474 473 A N 0.231 123.026 122.820 -0.042 0.000 2.115 473 A HA 0.224 4.544 4.320 -0.000 0.000 0.211 473 A C 1.937 179.508 177.584 -0.022 0.000 1.169 473 A CA 0.524 52.544 52.037 -0.029 0.000 0.787 473 A CB -0.090 18.893 19.000 -0.028 0.000 0.858 473 A HN 0.499 nan 8.150 nan 0.000 0.474 474 E N -0.736 119.448 120.200 -0.026 0.000 2.502 474 E HA 0.192 4.542 4.350 -0.000 0.000 0.194 474 E C 1.048 177.643 176.600 -0.008 0.000 1.062 474 E CA 0.488 56.879 56.400 -0.014 0.000 0.867 474 E CB -0.107 29.586 29.700 -0.012 0.000 0.888 474 E HN 0.663 nan 8.360 nan 0.000 0.510 475 G N 0.845 109.636 108.800 -0.015 0.000 2.184 475 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.206 475 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.206 475 G C 0.159 175.059 174.900 0.000 0.000 0.995 475 G CA 0.076 45.177 45.100 0.002 0.000 0.651 475 G HN 0.098 nan 8.290 nan 0.000 0.511 476 M N 1.780 121.336 119.600 -0.072 0.000 2.923 476 M HA 0.549 5.029 4.480 -0.000 0.000 0.311 476 M C -0.032 176.125 176.300 -0.239 0.000 1.376 476 M CA -0.393 54.769 55.300 -0.230 0.000 1.468 476 M CB -0.051 32.268 32.600 -0.469 0.000 1.151 476 M HN 0.025 nan 8.290 nan 0.000 0.517 477 V N 0.619 120.524 119.914 -0.015 0.000 2.876 477 V HA 0.437 4.557 4.120 -0.000 0.000 0.312 477 V C 0.068 176.246 176.094 0.140 0.000 1.085 477 V CA -1.052 61.264 62.300 0.027 0.000 0.945 477 V CB 2.423 34.260 31.823 0.023 0.000 1.017 477 V HN 0.739 nan 8.190 nan 0.000 0.428 478 c N 3.302 121.954 118.600 0.086 0.000 2.662 478 c HA 0.139 4.709 4.570 -0.000 0.000 0.420 478 c C 1.124 175.249 174.090 0.060 0.000 1.314 478 c CA -0.285 56.085 56.329 0.069 0.000 1.963 478 c CB -0.602 41.897 42.510 -0.018 0.000 2.686 478 c HN 0.959 nan 8.230 nan 0.000 0.609 479 N N 2.224 120.956 118.700 0.052 0.000 2.374 479 N HA -0.078 4.662 4.740 -0.000 0.000 0.241 479 N C 1.457 177.005 175.510 0.063 0.000 1.262 479 N CA 0.188 53.283 53.050 0.075 0.000 0.880 479 N CB 0.431 38.932 38.487 0.023 0.000 1.105 479 N HN 0.894 nan 8.380 nan 0.000 0.438 480 H N 3.118 122.187 119.070 -0.002 0.000 2.423 480 H HA -0.043 4.513 4.556 -0.000 0.000 0.297 480 H C 1.424 176.745 175.328 -0.012 0.000 1.075 480 H CA 0.799 56.842 56.048 -0.009 0.000 1.342 480 H CB -0.257 29.504 29.762 -0.002 0.000 1.395 480 H HN 0.480 nan 8.280 nan 0.000 0.530 481 L N 1.135 121.962 121.223 -0.660 0.000 2.737 481 L HA 0.044 4.384 4.340 -0.000 0.000 0.246 481 L C 0.033 176.782 176.870 -0.202 0.000 1.153 481 L CA -0.261 54.309 54.840 -0.449 0.000 0.920 481 L CB -0.293 41.502 42.059 -0.441 0.000 1.090 481 L HN 0.243 nan 8.230 nan 0.000 0.430 482 c N -1.139 117.375 118.600 -0.143 0.000 2.561 482 c HA 0.466 5.036 4.570 -0.000 0.000 0.319 482 c C 1.054 175.084 174.090 -0.100 0.000 1.198 482 c CA -1.161 55.103 56.329 -0.108 0.000 1.665 482 c CB 1.745 44.198 42.510 -0.096 0.000 2.258 482 c HN 0.520 nan 8.230 nan 0.000 0.493 483 S N 1.338 116.973 115.700 -0.108 0.000 2.612 483 S HA 0.079 4.549 4.470 -0.000 0.000 0.253 483 S C 1.021 175.553 174.600 -0.113 0.000 1.346 483 S CA 0.283 58.419 58.200 -0.107 0.000 0.976 483 S CB 0.330 63.463 63.200 -0.112 0.000 0.949 483 S HN 1.088 nan 8.310 nan 0.000 0.584 484 S N -0.829 114.807 115.700 -0.106 0.000 2.607 484 S HA 0.032 4.502 4.470 -0.000 0.000 0.224 484 S C 0.413 174.925 174.600 -0.146 0.000 0.969 484 S CA 0.156 58.292 58.200 -0.108 0.000 0.927 484 S CB -0.502 62.648 63.200 -0.083 0.000 0.772 484 S HN 0.672 nan 8.310 nan 0.000 0.533 485 D N 1.722 122.016 120.400 -0.176 0.000 2.347 485 D HA 0.295 4.935 4.640 -0.000 0.000 0.213 485 D C 1.304 177.397 176.300 -0.345 0.000 0.985 485 D CA 1.050 54.904 54.000 -0.242 0.000 0.879 485 D CB 0.006 40.668 40.800 -0.230 0.000 0.919 485 D HN 0.648 nan 8.370 nan 0.000 0.526 486 G N 0.074 108.693 108.800 -0.302 0.000 2.710 486 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.668 486 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.668 486 G C -0.113 174.540 174.900 -0.410 0.000 1.320 486 G CA -0.681 44.202 45.100 -0.363 0.000 0.860 486 G HN 0.501 nan 8.290 nan 0.000 0.538 487 c N -3.347 115.012 118.600 -0.401 0.000 3.044 487 c HA 0.860 5.430 4.570 -0.000 0.000 0.315 487 c C 0.704 174.533 174.090 -0.434 0.000 1.320 487 c CA -0.774 55.334 56.329 -0.368 0.000 1.582 487 c CB 1.005 43.425 42.510 -0.149 0.000 2.039 487 c HN 1.045 nan 8.230 nan 0.000 0.466 488 W N 1.159 122.376 121.300 -0.140 0.000 3.278 488 W HA 0.525 5.185 4.660 -0.000 0.000 0.308 488 W C 1.196 177.528 176.519 -0.312 0.000 1.253 488 W CA 0.765 58.038 57.345 -0.120 0.000 1.759 488 W CB 0.251 29.677 29.460 -0.057 0.000 1.093 488 W HN 1.354 nan 8.180 nan 0.000 0.648 489 G N -0.370 108.174 108.800 -0.427 0.000 2.333 489 G HA2 0.130 4.090 3.960 -0.000 0.000 0.288 489 G HA3 0.130 4.090 3.960 -0.000 0.000 0.288 489 G C -3.044 171.403 174.900 -0.755 0.000 1.286 489 G CA -1.216 43.178 45.100 -1.177 0.000 0.865 489 G HN -0.387 nan 8.290 nan 0.000 0.506 490 P HA 0.501 nan 4.420 nan 0.000 0.274 490 P C 0.539 177.803 177.300 -0.060 0.000 1.237 490 P CA 1.424 64.462 63.100 -0.104 0.000 0.793 490 P CB 1.246 32.955 31.700 0.014 0.000 0.977 491 G N 2.517 111.317 108.800 0.000 0.000 2.662 491 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 491 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 491 G C -2.235 172.663 174.900 -0.004 0.000 1.271 491 G CA -0.300 44.803 45.100 0.004 0.000 0.816 491 G HN 0.405 nan 8.290 nan 0.000 0.608 492 P HA 0.096 nan 4.420 nan 0.000 0.240 492 P C 0.719 178.012 177.300 -0.013 0.000 1.190 492 P CA 1.522 64.609 63.100 -0.022 0.000 0.781 492 P CB 0.184 31.867 31.700 -0.029 0.000 0.931 493 D N -0.830 119.570 120.400 -0.001 0.000 2.358 493 D HA -0.002 4.638 4.640 -0.000 0.000 0.224 493 D C 0.634 176.950 176.300 0.027 0.000 1.123 493 D CA 0.097 54.103 54.000 0.010 0.000 0.833 493 D CB -0.065 40.739 40.800 0.007 0.000 0.946 493 D HN 0.035 nan 8.370 nan 0.000 0.505 494 Q N 0.347 120.166 119.800 0.032 0.000 2.158 494 Q HA 0.227 4.567 4.340 -0.000 0.000 0.306 494 Q C -0.813 175.266 176.000 0.131 0.000 0.878 494 Q CA -0.226 55.630 55.803 0.089 0.000 1.136 494 Q CB 0.659 29.409 28.738 0.019 0.000 1.253 494 Q HN 0.262 nan 8.270 nan 0.000 0.441 495 c N -0.373 118.277 118.600 0.083 0.000 2.470 495 c HA 0.456 5.026 4.570 -0.000 0.000 0.341 495 c C 2.253 176.366 174.090 0.038 0.000 1.190 495 c CA -0.624 55.704 56.329 -0.002 0.000 1.904 495 c CB 0.962 43.439 42.510 -0.055 0.000 2.354 495 c HN 0.479 nan 8.230 nan 0.000 0.509 496 L N 1.071 122.231 121.223 -0.105 0.000 1.988 496 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 496 L C 0.856 177.707 176.870 -0.031 0.000 1.071 496 L CA 1.558 56.364 54.840 -0.057 0.000 0.744 496 L CB -0.420 41.494 42.059 -0.243 0.000 0.893 496 L HN 0.701 nan 8.230 nan 0.000 0.433 497 S N -2.280 113.371 115.700 -0.080 0.000 2.570 497 S HA 0.375 4.845 4.470 -0.000 0.000 0.286 497 S C -0.691 173.861 174.600 -0.080 0.000 1.099 497 S CA -0.890 57.269 58.200 -0.069 0.000 0.913 497 S CB 2.281 65.431 63.200 -0.083 0.000 1.085 497 S HN 0.096 nan 8.310 nan 0.000 0.480 498 c N 1.729 120.284 118.600 -0.076 0.000 2.459 498 c HA 0.413 4.983 4.570 -0.000 0.000 0.374 498 c C 2.208 176.224 174.090 -0.123 0.000 1.241 498 c CA -0.453 55.821 56.329 -0.091 0.000 2.352 498 c CB 0.386 42.850 42.510 -0.077 0.000 2.490 498 c HN 1.116 nan 8.230 nan 0.000 0.583 499 R N 0.694 121.117 120.500 -0.128 0.000 2.080 499 R HA 0.027 4.367 4.340 -0.000 0.000 0.222 499 R C 1.790 177.975 176.300 -0.191 0.000 1.107 499 R CA 1.068 57.087 56.100 -0.135 0.000 0.980 499 R CB 0.032 30.267 30.300 -0.108 0.000 0.879 499 R HN 0.675 nan 8.270 nan 0.000 0.439 500 R N -0.974 119.400 120.500 -0.210 0.000 1.776 500 R HA 0.284 4.624 4.340 -0.000 0.000 0.146 500 R C 0.220 176.117 176.300 -0.670 0.000 2.057 500 R CA 0.561 56.443 56.100 -0.363 0.000 1.641 500 R CB -0.363 29.897 30.300 -0.066 0.000 1.256 500 R HN -0.011 nan 8.270 nan 0.000 0.478 501 F N -0.155 119.773 119.950 -0.036 0.000 2.664 501 F HA 0.442 4.969 4.527 -0.000 0.000 0.329 501 F C -0.059 175.714 175.800 -0.045 0.000 1.090 501 F CA -0.866 57.111 58.000 -0.038 0.000 0.978 501 F CB 1.700 40.678 39.000 -0.037 0.000 1.378 501 F HN 0.142 nan 8.300 nan 0.000 0.495 502 S N 0.134 115.933 115.700 0.164 0.000 2.549 502 S HA 0.728 5.198 4.470 -0.000 0.000 0.280 502 S C -1.194 173.426 174.600 0.033 0.000 1.109 502 S CA -1.000 57.239 58.200 0.065 0.000 0.905 502 S CB 2.351 65.566 63.200 0.026 0.000 1.081 502 S HN 0.753 nan 8.310 nan 0.000 0.477 503 R N 1.235 121.742 120.500 0.011 0.000 2.443 503 R HA 0.571 4.911 4.340 -0.000 0.000 0.287 503 R C 0.820 177.113 176.300 -0.011 0.000 1.425 503 R CA 0.701 56.793 56.100 -0.013 0.000 1.300 503 R CB -0.001 30.291 30.300 -0.012 0.000 1.129 503 R HN 1.529 nan 8.270 nan 0.000 0.577 504 G N 2.856 111.647 108.800 -0.015 0.000 2.520 504 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 504 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 504 G C 0.338 175.238 174.900 -0.000 0.000 1.161 504 G CA -0.030 45.065 45.100 -0.010 0.000 0.946 504 G HN 0.545 nan 8.290 nan 0.000 0.565 505 R N 0.105 120.607 120.500 0.003 0.000 2.297 505 R HA 0.278 4.618 4.340 -0.000 0.000 0.197 505 R C 0.882 177.188 176.300 0.009 0.000 0.943 505 R CA 0.360 56.466 56.100 0.010 0.000 1.038 505 R CB 0.207 30.514 30.300 0.012 0.000 0.957 505 R HN 0.489 nan 8.270 nan 0.000 0.484 506 I N 1.234 121.807 120.570 0.005 0.000 2.342 506 I HA 0.119 4.289 4.170 -0.000 0.000 0.291 506 I C 0.192 176.310 176.117 0.002 0.000 1.010 506 I CA -0.702 60.600 61.300 0.003 0.000 1.308 506 I CB 1.257 39.259 38.000 0.005 0.000 1.400 506 I HN -0.062 nan 8.210 nan 0.000 0.488 507 c N 7.527 126.121 118.600 -0.011 0.000 2.527 507 c HA 0.567 5.137 4.570 -0.000 0.000 0.396 507 c C 0.530 174.609 174.090 -0.019 0.000 1.289 507 c CA -0.378 55.940 56.329 -0.019 0.000 2.047 507 c CB -0.698 41.781 42.510 -0.052 0.000 2.568 507 c HN 0.663 nan 8.230 nan 0.000 0.573 508 I N 0.346 120.927 120.570 0.018 0.000 3.322 508 I HA 0.594 4.764 4.170 -0.000 0.000 0.313 508 I C 0.764 176.930 176.117 0.081 0.000 1.129 508 I CA -0.680 60.639 61.300 0.032 0.000 0.963 508 I CB 1.303 39.330 38.000 0.045 0.000 1.273 508 I HN 0.452 nan 8.210 nan 0.000 0.473 509 E N 1.815 122.067 120.200 0.087 0.000 2.076 509 E HA 0.038 4.388 4.350 -0.000 0.000 0.190 509 E C 0.144 176.897 176.600 0.255 0.000 0.979 509 E CA 1.501 57.983 56.400 0.137 0.000 0.807 509 E CB 0.137 29.901 29.700 0.105 0.000 0.761 509 E HN 0.814 nan 8.360 nan 0.000 0.454 510 S N -2.096 113.686 115.700 0.136 0.000 2.578 510 S HA 0.446 4.916 4.470 -0.000 0.000 0.272 510 S C -0.363 174.118 174.600 -0.198 0.000 1.145 510 S CA -0.818 57.343 58.200 -0.064 0.000 0.835 510 S CB 0.310 63.487 63.200 -0.038 0.000 1.104 510 S HN 0.173 nan 8.310 nan 0.000 0.458 511 c N 1.789 120.117 118.600 -0.453 0.000 2.639 511 c HA 0.396 4.966 4.570 -0.000 0.000 0.360 511 c C 1.165 175.135 174.090 -0.199 0.000 1.351 511 c CA -0.502 55.642 56.329 -0.307 0.000 2.408 511 c CB -0.715 41.554 42.510 -0.402 0.000 2.517 511 c HN 0.928 nan 8.230 nan 0.000 0.696 512 N N 1.470 120.086 118.700 -0.139 0.000 3.210 512 N HA 0.140 4.880 4.740 -0.000 0.000 0.314 512 N C 1.020 176.443 175.510 -0.144 0.000 1.291 512 N CA 0.109 53.105 53.050 -0.090 0.000 1.202 512 N CB -0.304 38.163 38.487 -0.034 0.000 1.475 512 N HN 0.540 nan 8.380 nan 0.000 0.554 513 L N -0.750 120.321 121.223 -0.254 0.000 2.027 513 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 513 L C 0.910 177.450 176.870 -0.550 0.000 1.074 513 L CA 1.338 55.892 54.840 -0.477 0.000 0.745 513 L CB -0.233 41.357 42.059 -0.781 0.000 0.898 513 L HN 0.390 nan 8.230 nan 0.000 0.433 514 Y N -0.992 119.294 120.300 -0.023 0.000 2.462 514 Y HA 0.104 4.654 4.550 -0.000 0.000 0.253 514 Y C 0.235 176.125 175.900 -0.017 0.000 1.095 514 Y CA -0.913 57.179 58.100 -0.014 0.000 1.283 514 Y CB 0.344 38.796 38.460 -0.014 0.000 1.138 514 Y HN 0.307 nan 8.280 nan 0.000 0.522 515 D N -1.693 118.762 120.400 0.091 0.000 2.664 515 D HA 0.655 5.295 4.640 -0.000 0.000 0.292 515 D C -0.101 176.199 176.300 0.000 0.000 1.214 515 D CA -0.475 53.550 54.000 0.041 0.000 0.932 515 D CB 1.479 42.307 40.800 0.046 0.000 1.420 515 D HN 0.158 nan 8.370 nan 0.000 0.471 516 G N -1.042 107.743 108.800 -0.024 0.000 2.428 516 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.681 516 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.681 516 G C 0.109 174.938 174.900 -0.117 0.000 1.340 516 G CA -0.143 44.928 45.100 -0.047 0.000 0.915 516 G HN 0.623 nan 8.290 nan 0.000 0.645 517 E N -0.839 119.237 120.200 -0.207 0.000 2.110 517 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 517 E C 0.094 176.283 176.600 -0.685 0.000 0.988 517 E CA 0.852 56.960 56.400 -0.485 0.000 0.804 517 E CB 0.022 29.331 29.700 -0.653 0.000 0.745 517 E HN 0.366 nan 8.360 nan 0.000 0.458 518 F N 1.071 121.014 119.950 -0.012 0.000 2.445 518 F HA 0.375 4.902 4.527 -0.000 0.000 0.348 518 F C 0.204 175.988 175.800 -0.025 0.000 1.125 518 F CA -1.331 56.660 58.000 -0.014 0.000 0.983 518 F CB 1.160 40.151 39.000 -0.014 0.000 1.198 518 F HN -0.289 nan 8.300 nan 0.000 0.436 519 R N 2.443 123.019 120.500 0.125 0.000 2.679 519 R HA 0.407 4.747 4.340 -0.000 0.000 0.269 519 R C -0.171 176.160 176.300 0.052 0.000 1.076 519 R CA -0.183 55.947 56.100 0.050 0.000 1.160 519 R CB 0.581 30.896 30.300 0.025 0.000 1.054 519 R HN 0.739 nan 8.270 nan 0.000 0.507 520 E N 0.210 120.404 120.200 -0.010 0.000 2.450 520 E HA 0.525 4.875 4.350 -0.000 0.000 0.272 520 E C -1.023 175.575 176.600 -0.003 0.000 0.967 520 E CA -0.784 55.593 56.400 -0.040 0.000 0.818 520 E CB 1.744 31.358 29.700 -0.143 0.000 1.401 520 E HN 0.414 nan 8.360 nan 0.000 0.450 521 F N -1.006 118.887 119.950 -0.096 0.000 2.599 521 F HA 0.515 5.042 4.527 -0.000 0.000 0.311 521 F C -0.935 174.816 175.800 -0.081 0.000 1.076 521 F CA -1.106 56.836 58.000 -0.097 0.000 0.937 521 F CB 1.187 40.148 39.000 -0.065 0.000 1.282 521 F HN 0.293 nan 8.300 nan 0.000 0.460 522 E N 1.145 121.343 120.200 -0.004 0.000 2.175 522 E HA 0.336 4.686 4.350 -0.000 0.000 0.278 522 E C -1.519 175.165 176.600 0.141 0.000 0.969 522 E CA -0.870 55.498 56.400 -0.054 0.000 0.796 522 E CB 1.663 31.339 29.700 -0.041 0.000 1.104 522 E HN 0.646 nan 8.360 nan 0.000 0.395 523 N N 3.928 122.666 118.700 0.064 0.000 2.800 523 N HA 0.061 4.801 4.740 -0.000 0.000 0.240 523 N C -0.882 174.696 175.510 0.113 0.000 1.096 523 N CA -0.312 52.832 53.050 0.157 0.000 0.877 523 N CB 0.378 38.968 38.487 0.173 0.000 1.138 523 N HN 0.691 nan 8.380 nan 0.000 0.509 524 D N 2.547 123.024 120.400 0.129 0.000 2.716 524 D HA -0.239 4.401 4.640 -0.000 0.000 0.239 524 D C -0.274 176.076 176.300 0.084 0.000 1.125 524 D CA 1.630 55.686 54.000 0.093 0.000 0.681 524 D CB -1.371 39.468 40.800 0.065 0.000 1.070 524 D HN 0.956 nan 8.370 nan 0.000 0.432 525 S N -2.378 113.427 115.700 0.175 0.000 2.765 525 S HA -0.259 4.211 4.470 -0.000 0.000 0.266 525 S C 0.254 175.003 174.600 0.247 0.000 1.302 525 S CA 1.016 59.336 58.200 0.199 0.000 1.274 525 S CB -2.103 61.040 63.200 -0.096 0.000 1.559 525 S HN 0.520 nan 8.310 nan 0.000 0.658 526 I N 2.148 122.800 120.570 0.137 0.000 2.362 526 I HA 0.421 4.591 4.170 -0.000 0.000 0.289 526 I C 0.497 176.568 176.117 -0.076 0.000 0.994 526 I CA -0.882 60.441 61.300 0.038 0.000 1.158 526 I CB 1.509 39.507 38.000 -0.004 0.000 1.315 526 I HN 0.315 nan 8.210 nan 0.000 0.451 527 c N 6.638 125.176 118.600 -0.102 0.000 2.482 527 c HA 0.450 5.020 4.570 -0.000 0.000 0.378 527 c C 0.506 174.399 174.090 -0.329 0.000 1.284 527 c CA -0.620 55.564 56.329 -0.241 0.000 1.826 527 c CB -0.444 41.964 42.510 -0.170 0.000 2.473 527 c HN 0.435 nan 8.230 nan 0.000 0.562 528 V N 3.851 123.389 119.914 -0.626 0.000 2.604 528 V HA 0.326 4.446 4.120 -0.000 0.000 0.305 528 V C 0.081 175.918 176.094 -0.428 0.000 1.043 528 V CA -0.622 61.323 62.300 -0.593 0.000 0.888 528 V CB 1.608 32.896 31.823 -0.891 0.000 0.995 528 V HN 0.820 nan 8.190 nan 0.000 0.429 529 E N 1.534 121.642 120.200 -0.153 0.000 2.392 529 E HA 0.185 4.535 4.350 -0.000 0.000 0.264 529 E C -0.464 176.205 176.600 0.114 0.000 1.024 529 E CA -0.350 56.037 56.400 -0.022 0.000 0.903 529 E CB 0.825 30.497 29.700 -0.047 0.000 0.963 529 E HN 0.706 nan 8.360 nan 0.000 0.432 530 c N 2.427 121.115 118.600 0.147 0.000 2.656 530 c HA 0.030 4.600 4.570 -0.000 0.000 0.391 530 c C 0.862 175.004 174.090 0.088 0.000 1.300 530 c CA -0.707 55.716 56.329 0.157 0.000 2.302 530 c CB 0.036 42.608 42.510 0.103 0.000 2.655 530 c HN 0.716 nan 8.230 nan 0.000 0.656 531 D N 1.494 121.924 120.400 0.049 0.000 2.423 531 D HA 0.022 4.662 4.640 -0.000 0.000 0.238 531 D C -1.526 174.801 176.300 0.046 0.000 1.142 531 D CA -0.683 53.335 54.000 0.031 0.000 0.884 531 D CB 0.967 41.769 40.800 0.004 0.000 1.199 531 D HN 0.258 nan 8.370 nan 0.000 0.438 532 P HA -0.087 nan 4.420 nan 0.000 0.222 532 P C 0.912 178.269 177.300 0.094 0.000 1.147 532 P CA 0.798 63.945 63.100 0.077 0.000 0.790 532 P CB 0.300 32.035 31.700 0.059 0.000 0.780 533 Q N -1.586 118.262 119.800 0.079 0.000 2.432 533 Q HA 0.011 4.351 4.340 -0.000 0.000 0.205 533 Q C 0.339 176.380 176.000 0.069 0.000 0.945 533 Q CA 0.348 56.217 55.803 0.109 0.000 0.924 533 Q CB -0.821 27.976 28.738 0.097 0.000 1.016 533 Q HN 0.246 nan 8.270 nan 0.000 0.503 534 c N 2.706 121.330 118.600 0.040 0.000 2.627 534 c HA 0.115 4.685 4.570 -0.000 0.000 0.404 534 c C 1.048 175.144 174.090 0.011 0.000 1.340 534 c CA -0.918 55.419 56.329 0.013 0.000 1.758 534 c CB -0.924 41.588 42.510 0.003 0.000 2.501 534 c HN 0.344 nan 8.230 nan 0.000 0.588 535 E N 2.687 122.878 120.200 -0.016 0.000 2.344 535 E HA 0.078 4.428 4.350 -0.000 0.000 0.270 535 E C -0.204 176.387 176.600 -0.015 0.000 1.021 535 E CA -0.166 56.214 56.400 -0.034 0.000 0.887 535 E CB 0.507 30.168 29.700 -0.065 0.000 0.997 535 E HN 0.544 nan 8.360 nan 0.000 0.429 536 K N 4.125 124.518 120.400 -0.012 0.000 2.416 536 K HA 0.083 4.403 4.320 -0.000 0.000 0.283 536 K C -0.321 176.276 176.600 -0.005 0.000 1.037 536 K CA 0.075 56.359 56.287 -0.005 0.000 0.995 536 K CB 0.491 32.983 32.500 -0.013 0.000 0.938 536 K HN 0.394 nan 8.250 nan 0.000 0.475 537 M N 3.326 122.931 119.600 0.009 0.000 2.180 537 M HA 0.241 4.721 4.480 -0.000 0.000 0.350 537 M C 0.115 176.436 176.300 0.035 0.000 1.125 537 M CA -0.536 54.775 55.300 0.019 0.000 1.031 537 M CB 1.252 33.870 32.600 0.030 0.000 1.623 537 M HN 0.465 nan 8.290 nan 0.000 0.451 538 E N 1.446 121.662 120.200 0.026 0.000 2.302 538 E HA 0.311 4.661 4.350 -0.000 0.000 0.255 538 E C -0.233 176.389 176.600 0.037 0.000 1.099 538 E CA -0.322 56.096 56.400 0.031 0.000 0.929 538 E CB 0.624 30.330 29.700 0.011 0.000 1.203 538 E HN 0.604 nan 8.360 nan 0.000 0.459 539 D N -0.363 120.052 120.400 0.026 0.000 2.800 539 D HA -0.177 4.463 4.640 -0.000 0.000 0.232 539 D C 0.730 177.032 176.300 0.005 0.000 1.137 539 D CA 1.301 55.305 54.000 0.008 0.000 0.718 539 D CB -1.389 39.412 40.800 0.002 0.000 1.084 539 D HN 0.809 nan 8.370 nan 0.000 0.432 540 G N -1.090 107.727 108.800 0.028 0.000 2.175 540 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.244 540 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.244 540 G C 0.245 175.263 174.900 0.197 0.000 0.982 540 G CA 0.233 45.327 45.100 -0.009 0.000 0.641 540 G HN 0.454 nan 8.290 nan 0.000 0.527 541 L N 1.108 122.447 121.223 0.192 0.000 2.312 541 L HA 0.576 4.916 4.340 -0.000 0.000 0.281 541 L C 1.149 178.118 176.870 0.166 0.000 1.070 541 L CA -0.983 53.958 54.840 0.168 0.000 0.805 541 L CB 1.240 43.350 42.059 0.085 0.000 1.174 541 L HN 0.033 nan 8.230 nan 0.000 0.434 542 L N 2.201 123.489 121.223 0.109 0.000 2.452 542 L HA 0.140 4.480 4.340 -0.000 0.000 0.267 542 L C 1.230 178.113 176.870 0.022 0.000 1.188 542 L CA 0.015 54.851 54.840 -0.006 0.000 0.821 542 L CB 0.886 42.938 42.059 -0.012 0.000 1.102 542 L HN 0.673 nan 8.230 nan 0.000 0.470 543 T N -0.376 114.177 114.554 -0.002 0.000 3.051 543 T HA 0.074 4.424 4.350 -0.000 0.000 0.255 543 T C 0.064 174.766 174.700 0.003 0.000 1.085 543 T CA 0.278 62.385 62.100 0.010 0.000 1.109 543 T CB -0.064 68.810 68.868 0.010 0.000 0.921 543 T HN 0.817 nan 8.240 nan 0.000 0.488 544 c N 1.227 119.826 118.600 -0.001 0.000 3.312 544 c HA 0.565 5.135 4.570 -0.000 0.000 0.332 544 c C -0.145 173.901 174.090 -0.074 0.000 1.340 544 c CA -1.068 55.202 56.329 -0.099 0.000 1.265 544 c CB 0.858 43.284 42.510 -0.139 0.000 1.563 544 c HN 0.558 nan 8.230 nan 0.000 0.471 545 H N 0.512 119.506 119.070 -0.128 0.000 2.510 545 H HA 0.560 5.116 4.556 -0.000 0.000 0.266 545 H C 0.284 175.388 175.328 -0.373 0.000 1.146 545 H CA 0.216 56.172 56.048 -0.152 0.000 0.993 545 H CB 0.357 30.063 29.762 -0.093 0.000 1.727 545 H HN 1.611 nan 8.280 nan 0.000 0.590 546 G N 1.255 109.524 108.800 -0.885 0.000 2.321 546 G HA2 0.192 4.152 3.960 -0.000 0.000 0.298 546 G HA3 0.192 4.152 3.960 -0.000 0.000 0.298 546 G C -3.425 170.809 174.900 -1.110 0.000 1.385 546 G CA -1.077 43.245 45.100 -1.297 0.000 0.856 546 G HN -0.010 nan 8.290 nan 0.000 0.584 547 P HA 0.530 nan 4.420 nan 0.000 0.274 547 P C 0.618 177.828 177.300 -0.149 0.000 1.237 547 P CA 1.251 64.231 63.100 -0.200 0.000 0.793 547 P CB 1.380 33.095 31.700 0.025 0.000 0.977 548 G N 2.203 110.967 108.800 -0.059 0.000 2.712 548 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.686 548 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.686 548 G C -2.080 172.782 174.900 -0.063 0.000 1.321 548 G CA -0.343 44.727 45.100 -0.051 0.000 0.813 548 G HN 0.459 nan 8.290 nan 0.000 0.599 549 P HA 0.068 nan 4.420 nan 0.000 0.247 549 P C 0.536 177.815 177.300 -0.034 0.000 1.225 549 P CA 1.604 64.691 63.100 -0.021 0.000 0.768 549 P CB 0.120 31.825 31.700 0.008 0.000 1.020 550 D N -2.331 118.035 120.400 -0.056 0.000 2.469 550 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 550 D C 0.671 176.916 176.300 -0.091 0.000 1.135 550 D CA -0.066 53.903 54.000 -0.052 0.000 0.834 550 D CB -0.753 40.030 40.800 -0.029 0.000 1.009 550 D HN -0.062 nan 8.370 nan 0.000 0.507 551 N N 0.286 118.867 118.700 -0.198 0.000 2.275 551 N HA 0.133 4.873 4.740 -0.000 0.000 0.236 551 N C -0.444 174.715 175.510 -0.584 0.000 1.154 551 N CA -0.200 52.565 53.050 -0.475 0.000 0.866 551 N CB 0.543 38.704 38.487 -0.543 0.000 1.093 551 N HN 0.171 nan 8.380 nan 0.000 0.515 552 c N -0.307 118.152 118.600 -0.235 0.000 2.520 552 c HA 0.238 4.808 4.570 -0.000 0.000 0.376 552 c C 2.272 176.363 174.090 0.002 0.000 1.268 552 c CA -0.335 55.920 56.329 -0.123 0.000 2.414 552 c CB 1.111 43.590 42.510 -0.051 0.000 2.521 552 c HN 0.340 nan 8.230 nan 0.000 0.618 553 T N 0.173 114.749 114.554 0.037 0.000 2.937 553 T HA 0.001 4.351 4.350 -0.000 0.000 0.260 553 T C 0.483 175.205 174.700 0.036 0.000 1.051 553 T CA 1.177 63.326 62.100 0.082 0.000 1.141 553 T CB -0.039 68.869 68.868 0.066 0.000 0.879 553 T HN 0.705 nan 8.240 nan 0.000 0.459 554 K N -0.191 120.214 120.400 0.008 0.000 2.546 554 K HA 0.433 4.753 4.320 -0.000 0.000 0.264 554 K C -1.730 174.854 176.600 -0.025 0.000 0.937 554 K CA -0.731 55.548 56.287 -0.012 0.000 0.833 554 K CB 1.737 34.225 32.500 -0.020 0.000 1.378 554 K HN 0.001 nan 8.250 nan 0.000 0.432 555 c N 2.421 121.000 118.600 -0.036 0.000 2.452 555 c HA 0.175 4.744 4.570 -0.000 0.000 0.379 555 c C 1.850 175.888 174.090 -0.087 0.000 1.275 555 c CA -0.328 55.980 56.329 -0.035 0.000 2.056 555 c CB 0.569 43.066 42.510 -0.022 0.000 2.506 555 c HN 0.914 nan 8.230 nan 0.000 0.560 556 S N 0.983 116.624 115.700 -0.098 0.000 2.527 556 S HA -0.005 4.465 4.470 -0.000 0.000 0.222 556 S C 0.660 174.925 174.600 -0.558 0.000 0.985 556 S CA 0.823 58.857 58.200 -0.277 0.000 0.921 556 S CB -0.190 62.852 63.200 -0.263 0.000 0.772 556 S HN 0.934 nan 8.310 nan 0.000 0.529 557 H N -0.973 118.023 119.070 -0.123 0.000 5.180 557 H HA 0.573 5.129 4.556 -0.000 0.000 0.088 557 H C -0.686 174.318 175.328 -0.539 0.000 1.297 557 H CA -0.382 55.514 56.048 -0.252 0.000 0.486 557 H CB 0.230 30.021 29.762 0.048 0.000 1.599 557 H HN 0.248 nan 8.280 nan 0.000 0.117 558 F N 0.081 120.117 119.950 0.143 0.000 2.639 558 F HA 0.517 5.044 4.527 -0.000 0.000 0.339 558 F C -0.403 175.403 175.800 0.011 0.000 1.071 558 F CA -0.855 57.174 58.000 0.048 0.000 0.994 558 F CB 1.620 40.638 39.000 0.030 0.000 1.341 558 F HN -0.069 nan 8.300 nan 0.000 0.498 559 K N 1.089 121.584 120.400 0.158 0.000 2.578 559 K HA 0.259 4.579 4.320 -0.000 0.000 0.250 559 K C -2.048 174.538 176.600 -0.023 0.000 0.955 559 K CA -0.566 55.742 56.287 0.035 0.000 0.825 559 K CB 1.276 33.760 32.500 -0.026 0.000 1.151 559 K HN 0.549 nan 8.250 nan 0.000 0.432 560 D N 3.729 124.121 120.400 -0.014 0.000 2.443 560 D HA 0.366 5.006 4.640 -0.000 0.000 0.221 560 D C 0.824 176.998 176.300 -0.210 0.000 1.097 560 D CA 1.102 55.095 54.000 -0.013 0.000 0.865 560 D CB 0.933 41.820 40.800 0.146 0.000 1.034 560 D HN 0.800 nan 8.370 nan 0.000 0.511 561 G N 5.470 113.948 108.800 -0.537 0.000 2.629 561 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.313 561 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.313 561 G C -1.306 173.244 174.900 -0.583 0.000 1.217 561 G CA 0.273 44.648 45.100 -1.208 0.000 0.994 561 G HN 0.553 nan 8.290 nan 0.000 0.549 562 P HA 0.171 nan 4.420 nan 0.000 0.261 562 P C -0.060 177.180 177.300 -0.100 0.000 1.268 562 P CA 0.361 63.343 63.100 -0.196 0.000 0.833 562 P CB 0.138 31.765 31.700 -0.121 0.000 1.231 563 N N 0.267 118.919 118.700 -0.080 0.000 2.438 563 N HA 0.131 4.871 4.740 -0.000 0.000 0.282 563 N C -0.389 175.128 175.510 0.011 0.000 1.037 563 N CA -0.254 52.792 53.050 -0.007 0.000 0.942 563 N CB 0.936 39.453 38.487 0.050 0.000 1.136 563 N HN 0.009 nan 8.380 nan 0.000 0.481 564 c N 2.340 120.952 118.600 0.020 0.000 2.566 564 c HA 0.418 4.988 4.570 -0.000 0.000 0.393 564 c C 0.891 175.030 174.090 0.082 0.000 1.309 564 c CA -0.746 55.612 56.329 0.049 0.000 1.801 564 c CB -1.200 41.333 42.510 0.038 0.000 2.493 564 c HN 0.449 nan 8.230 nan 0.000 0.575 565 V N 1.809 121.799 119.914 0.127 0.000 2.914 565 V HA 0.550 4.670 4.120 -0.000 0.000 0.314 565 V C 0.575 176.769 176.094 0.166 0.000 1.084 565 V CA -0.596 61.776 62.300 0.120 0.000 0.963 565 V CB 1.749 33.630 31.823 0.096 0.000 1.025 565 V HN 0.688 nan 8.190 nan 0.000 0.432 566 E N 1.671 121.901 120.200 0.050 0.000 2.110 566 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 566 E C 0.639 177.264 176.600 0.041 0.000 0.988 566 E CA 1.947 58.291 56.400 -0.094 0.000 0.804 566 E CB 0.135 29.747 29.700 -0.147 0.000 0.745 566 E HN 0.791 nan 8.360 nan 0.000 0.458 567 K N -1.314 119.093 120.400 0.011 0.000 2.557 567 K HA 0.287 4.607 4.320 -0.000 0.000 0.261 567 K C -1.319 175.169 176.600 -0.187 0.000 0.932 567 K CA -0.726 55.466 56.287 -0.158 0.000 0.829 567 K CB 0.922 33.324 32.500 -0.163 0.000 1.358 567 K HN 0.042 nan 8.250 nan 0.000 0.430 568 c N 3.329 121.712 118.600 -0.361 0.000 2.703 568 c HA 0.161 4.731 4.570 -0.000 0.000 0.411 568 c C -2.054 171.937 174.090 -0.166 0.000 1.290 568 c CA -0.627 55.572 56.329 -0.216 0.000 2.054 568 c CB -0.515 41.840 42.510 -0.258 0.000 2.732 568 c HN 0.600 nan 8.230 nan 0.000 0.650 569 P HA 0.024 nan 4.420 nan 0.000 0.256 569 P C -0.743 176.448 177.300 -0.182 0.000 1.173 569 P CA 1.002 63.956 63.100 -0.243 0.000 0.768 569 P CB 0.162 31.613 31.700 -0.416 0.000 0.758 570 D N 3.295 123.584 120.400 -0.185 0.000 2.441 570 D HA 0.398 5.038 4.640 -0.000 0.000 0.287 570 D C 0.713 176.839 176.300 -0.290 0.000 1.198 570 D CA -0.128 53.826 54.000 -0.076 0.000 0.894 570 D CB -0.629 40.177 40.800 0.010 0.000 1.070 570 D HN 0.457 nan 8.370 nan 0.000 0.499 571 G N 2.332 110.533 108.800 -0.999 0.000 2.204 571 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.244 571 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.244 571 G C 0.088 174.727 174.900 -0.435 0.000 1.062 571 G CA -0.183 44.293 45.100 -1.040 0.000 0.798 571 G HN 0.476 nan 8.290 nan 0.000 0.496 572 L N -0.166 120.848 121.223 -0.348 0.000 2.397 572 L HA 0.362 4.702 4.340 -0.000 0.000 0.271 572 L C 1.117 178.047 176.870 0.099 0.000 1.148 572 L CA -0.764 54.007 54.840 -0.115 0.000 0.825 572 L CB 1.000 42.925 42.059 -0.223 0.000 1.117 572 L HN 0.264 nan 8.230 nan 0.000 0.456 573 Q N 2.276 122.191 119.800 0.191 0.000 2.263 573 Q HA 0.228 4.568 4.340 -0.000 0.000 0.270 573 Q C -0.001 176.034 176.000 0.059 0.000 1.104 573 Q CA 0.196 56.085 55.803 0.144 0.000 0.909 573 Q CB 0.886 29.702 28.738 0.129 0.000 1.214 573 Q HN 0.641 nan 8.270 nan 0.000 0.400 574 G N 2.059 110.850 108.800 -0.014 0.000 2.557 574 G HA2 0.523 4.483 3.960 -0.000 0.000 0.302 574 G HA3 0.523 4.483 3.960 -0.000 0.000 0.302 574 G C 0.349 175.232 174.900 -0.029 0.000 1.311 574 G CA -0.252 44.865 45.100 0.028 0.000 1.030 574 G HN 0.771 nan 8.290 nan 0.000 0.509 575 A N -0.393 122.423 122.820 -0.006 0.000 1.902 575 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 575 A C 1.901 179.454 177.584 -0.052 0.000 1.181 575 A CA 1.654 53.675 52.037 -0.027 0.000 0.623 575 A CB -0.189 18.805 19.000 -0.010 0.000 0.818 575 A HN 0.521 nan 8.150 nan 0.000 0.443 576 N N -1.519 117.152 118.700 -0.049 0.000 2.210 576 N HA 0.096 4.836 4.740 -0.000 0.000 0.203 576 N C -0.026 175.433 175.510 -0.085 0.000 1.175 576 N CA 0.957 53.973 53.050 -0.057 0.000 0.894 576 N CB 0.830 39.301 38.487 -0.027 0.000 1.041 576 N HN 0.582 nan 8.380 nan 0.000 0.506 577 S N -0.914 114.723 115.700 -0.106 0.000 2.636 577 S HA 0.496 4.966 4.470 -0.000 0.000 0.268 577 S C -1.210 173.295 174.600 -0.160 0.000 1.159 577 S CA -0.870 57.246 58.200 -0.139 0.000 0.815 577 S CB 0.644 63.848 63.200 0.005 0.000 1.130 577 S HN -0.032 nan 8.310 nan 0.000 0.471 578 F N 1.340 121.321 119.950 0.052 0.000 2.456 578 F HA 0.418 4.945 4.527 -0.000 0.000 0.358 578 F C 0.496 176.208 175.800 -0.148 0.000 1.095 578 F CA -0.634 57.328 58.000 -0.063 0.000 1.216 578 F CB 0.608 39.600 39.000 -0.013 0.000 1.125 578 F HN 0.334 nan 8.300 nan 0.000 0.549 579 I N 4.423 124.921 120.570 -0.119 0.000 2.365 579 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 579 I C -0.413 175.409 176.117 -0.491 0.000 1.004 579 I CA -0.527 60.645 61.300 -0.214 0.000 1.311 579 I CB 0.438 38.253 38.000 -0.309 0.000 1.401 579 I HN 0.417 nan 8.210 nan 0.000 0.491 580 F N 5.086 125.028 119.950 -0.013 0.000 2.576 580 F HA 0.571 5.098 4.527 -0.000 0.000 0.313 580 F C 0.233 176.026 175.800 -0.011 0.000 1.078 580 F CA -0.686 57.308 58.000 -0.011 0.000 0.921 580 F CB 2.256 41.274 39.000 0.030 0.000 1.232 580 F HN 0.265 nan 8.300 nan 0.000 0.459 581 K N 1.420 121.923 120.400 0.171 0.000 2.536 581 K HA 0.437 4.757 4.320 -0.000 0.000 0.269 581 K C -1.775 174.884 176.600 0.097 0.000 0.965 581 K CA -1.047 55.292 56.287 0.086 0.000 0.860 581 K CB 3.213 35.688 32.500 -0.043 0.000 1.423 581 K HN 0.626 nan 8.250 nan 0.000 0.438 582 Y N -1.558 118.783 120.300 0.067 0.000 2.587 582 Y HA 0.821 5.371 4.550 -0.000 0.000 0.337 582 Y C -1.057 174.877 175.900 0.057 0.000 1.065 582 Y CA -1.292 56.835 58.100 0.044 0.000 1.126 582 Y CB 1.403 39.901 38.460 0.063 0.000 1.279 582 Y HN 0.521 nan 8.280 nan 0.000 0.489 583 A N 2.293 125.178 122.820 0.108 0.000 2.303 583 A HA 0.512 4.832 4.320 -0.000 0.000 0.320 583 A C -0.847 176.927 177.584 0.317 0.000 1.192 583 A CA -0.610 51.494 52.037 0.112 0.000 0.821 583 A CB -0.045 19.083 19.000 0.213 0.000 1.188 583 A HN 0.865 nan 8.150 nan 0.000 0.492 584 D N 2.698 123.264 120.400 0.277 0.000 2.393 584 D HA 0.287 4.927 4.640 -0.000 0.000 0.246 584 D C -2.011 174.434 176.300 0.242 0.000 1.275 584 D CA -1.481 52.730 54.000 0.350 0.000 0.979 584 D CB -0.272 40.743 40.800 0.358 0.000 1.101 584 D HN 0.160 nan 8.370 nan 0.000 0.505 585 P HA -0.089 nan 4.420 nan 0.000 0.219 585 P C 0.125 177.484 177.300 0.099 0.000 1.146 585 P CA 1.094 64.272 63.100 0.130 0.000 0.808 585 P CB 0.070 31.830 31.700 0.099 0.000 0.779 586 D N -0.951 119.511 120.400 0.102 0.000 2.325 586 D HA 0.096 4.736 4.640 -0.000 0.000 0.234 586 D C 0.290 176.613 176.300 0.039 0.000 1.122 586 D CA 0.071 54.106 54.000 0.058 0.000 0.850 586 D CB -0.086 40.751 40.800 0.061 0.000 0.921 586 D HN 0.096 nan 8.370 nan 0.000 0.513 587 R N 0.524 121.077 120.500 0.088 0.000 3.770 587 R HA -0.193 4.147 4.340 -0.000 0.000 0.305 587 R C 0.103 176.502 176.300 0.165 0.000 1.184 587 R CA 0.591 56.764 56.100 0.121 0.000 0.823 587 R CB -1.841 28.310 30.300 -0.248 0.000 1.285 587 R HN 0.298 nan 8.270 nan 0.000 0.499 588 E N 0.314 120.562 120.200 0.080 0.000 2.197 588 E HA 0.264 4.614 4.350 -0.000 0.000 0.281 588 E C -0.384 176.033 176.600 -0.305 0.000 0.995 588 E CA -0.723 55.625 56.400 -0.086 0.000 0.808 588 E CB 0.941 30.596 29.700 -0.076 0.000 1.093 588 E HN 0.236 nan 8.360 nan 0.000 0.394 589 c N 3.721 122.102 118.600 -0.364 0.000 2.452 589 c HA 0.438 5.008 4.570 -0.000 0.000 0.379 589 c C -0.197 173.453 174.090 -0.734 0.000 1.275 589 c CA -0.497 55.575 56.329 -0.429 0.000 2.056 589 c CB -0.754 41.649 42.510 -0.179 0.000 2.506 589 c HN 0.774 nan 8.230 nan 0.000 0.560 590 H N 0.528 119.370 119.070 -0.380 0.000 2.895 590 H HA 0.421 4.977 4.556 -0.000 0.000 0.373 590 H C -2.667 172.553 175.328 -0.181 0.000 1.174 590 H CA -1.618 54.260 56.048 -0.283 0.000 1.144 590 H CB 1.199 30.736 29.762 -0.376 0.000 1.793 590 H HN 0.352 nan 8.280 nan 0.000 0.551 591 P HA -0.012 nan 4.420 nan 0.000 0.265 591 P C -0.423 177.044 177.300 0.277 0.000 1.193 591 P CA 0.011 63.221 63.100 0.184 0.000 0.765 591 P CB 0.459 32.255 31.700 0.160 0.000 0.823 592 c N 2.808 121.561 118.600 0.254 0.000 2.422 592 c HA 0.201 4.771 4.570 -0.000 0.000 0.364 592 c C 0.918 175.111 174.090 0.172 0.000 1.251 592 c CA -0.271 56.212 56.329 0.258 0.000 2.441 592 c CB -0.551 42.090 42.510 0.219 0.000 2.393 592 c HN 0.598 nan 8.230 nan 0.000 0.606 593 H N 2.173 121.279 119.070 0.060 0.000 2.848 593 H HA 0.087 4.643 4.556 -0.000 0.000 0.341 593 H C -1.627 173.718 175.328 0.030 0.000 1.060 593 H CA -0.793 55.270 56.048 0.025 0.000 1.444 593 H CB 0.996 30.739 29.762 -0.033 0.000 1.446 593 H HN 0.384 nan 8.280 nan 0.000 0.583 594 P HA -0.162 nan 4.420 nan 0.000 0.218 594 P C 0.860 178.252 177.300 0.153 0.000 1.146 594 P CA 1.181 64.269 63.100 -0.020 0.000 0.820 594 P CB 0.361 31.982 31.700 -0.132 0.000 0.778 595 N N -1.758 117.191 118.700 0.415 0.000 2.550 595 N HA -0.045 4.695 4.740 -0.000 0.000 0.186 595 N C -0.133 175.422 175.510 0.075 0.000 1.110 595 N CA 0.486 53.667 53.050 0.219 0.000 0.912 595 N CB -0.590 37.982 38.487 0.142 0.000 0.968 595 N HN 0.165 nan 8.380 nan 0.000 0.448 596 c N 1.930 120.560 118.600 0.050 0.000 2.183 596 c HA 0.171 4.741 4.570 -0.000 0.000 0.409 596 c C 1.696 175.657 174.090 -0.215 0.000 1.022 596 c CA -0.705 55.542 56.329 -0.135 0.000 1.367 596 c CB -1.614 40.802 42.510 -0.157 0.000 1.650 596 c HN 0.354 nan 8.230 nan 0.000 0.499 597 T N -1.142 113.304 114.554 -0.180 0.000 3.227 597 T HA -0.033 4.317 4.350 -0.000 0.000 0.257 597 T C 0.878 175.302 174.700 -0.460 0.000 1.162 597 T CA 0.972 62.999 62.100 -0.122 0.000 1.051 597 T CB -0.192 68.681 68.868 0.009 0.000 0.953 597 T HN 0.771 nan 8.240 nan 0.000 0.535 598 Q N 0.089 119.328 119.800 -0.935 0.000 2.064 598 Q HA 0.460 4.800 4.340 -0.000 0.000 0.213 598 Q C 0.576 175.781 176.000 -1.325 0.000 0.779 598 Q CA -0.257 54.778 55.803 -1.279 0.000 1.032 598 Q CB 1.527 29.520 28.738 -1.240 0.000 1.203 598 Q HN 0.638 nan 8.270 nan 0.000 0.457 599 G N 0.746 108.619 108.800 -1.544 0.000 2.462 599 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.685 599 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.685 599 G C -0.700 173.972 174.900 -0.379 0.000 1.295 599 G CA -0.620 44.033 45.100 -0.744 0.000 0.941 599 G HN 0.539 nan 8.290 nan 0.000 0.554 600 c N -1.928 116.589 118.600 -0.138 0.000 3.295 600 c HA 0.851 5.421 4.570 -0.000 0.000 0.341 600 c C 0.736 174.805 174.090 -0.035 0.000 1.418 600 c CA -0.259 56.003 56.329 -0.112 0.000 1.240 600 c CB 1.241 43.718 42.510 -0.054 0.000 1.562 600 c HN 0.861 nan 8.230 nan 0.000 0.457 601 N N 0.104 118.739 118.700 -0.108 0.000 2.348 601 N HA 0.408 5.148 4.740 -0.000 0.000 0.183 601 N C 0.499 175.792 175.510 -0.362 0.000 1.094 601 N CA 1.302 54.284 53.050 -0.113 0.000 0.885 601 N CB 1.357 39.780 38.487 -0.107 0.000 1.065 601 N HN 1.138 nan 8.380 nan 0.000 0.472 602 G N -0.035 108.422 108.800 -0.571 0.000 2.561 602 G HA2 0.298 4.258 3.960 -0.000 0.000 0.310 602 G HA3 0.298 4.258 3.960 -0.000 0.000 0.310 602 G C -2.422 172.096 174.900 -0.638 0.000 1.292 602 G CA -0.490 43.888 45.100 -1.203 0.000 0.811 602 G HN -0.240 nan 8.290 nan 0.000 0.482 603 P HA 0.088 nan 4.420 nan 0.000 0.217 603 P C 1.083 178.378 177.300 -0.008 0.000 1.151 603 P CA 0.901 64.000 63.100 -0.002 0.000 0.828 603 P CB -0.131 31.604 31.700 0.058 0.000 0.788 604 T N 0.012 114.495 114.554 -0.118 0.000 2.856 604 T HA -0.007 4.343 4.350 -0.000 0.000 0.329 604 T C 1.372 175.906 174.700 -0.278 0.000 1.094 604 T CA 0.569 62.545 62.100 -0.206 0.000 1.112 604 T CB 0.062 68.789 68.868 -0.236 0.000 1.009 604 T HN 0.027 nan 8.240 nan 0.000 0.550 605 S N 0.705 116.070 115.700 -0.559 0.000 2.522 605 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 605 S C 1.269 175.666 174.600 -0.338 0.000 0.986 605 S CA 0.357 58.159 58.200 -0.662 0.000 0.929 605 S CB -0.173 62.558 63.200 -0.782 0.000 0.769 605 S HN 0.678 nan 8.310 nan 0.000 0.529 606 H N 0.719 119.702 119.070 -0.146 0.000 2.551 606 H HA 0.271 4.827 4.556 -0.000 0.000 0.271 606 H C 0.251 175.518 175.328 -0.101 0.000 0.984 606 H CA -0.142 55.846 56.048 -0.100 0.000 1.164 606 H CB -0.074 29.643 29.762 -0.075 0.000 1.437 606 H HN 0.305 nan 8.280 nan 0.000 0.550 607 D N 0.493 120.849 120.400 -0.074 0.000 2.325 607 D HA 0.040 4.680 4.640 -0.000 0.000 0.225 607 D C 0.325 176.528 176.300 -0.163 0.000 1.096 607 D CA 0.014 53.948 54.000 -0.111 0.000 0.844 607 D CB -0.145 40.556 40.800 -0.165 0.000 0.925 607 D HN 0.167 nan 8.370 nan 0.000 0.513 608 c N 1.773 120.258 118.600 -0.192 0.000 2.657 608 c HA 0.304 4.874 4.570 -0.000 0.000 0.420 608 c C 1.070 174.801 174.090 -0.599 0.000 1.323 608 c CA -0.734 55.372 56.329 -0.372 0.000 1.894 608 c CB -0.823 41.465 42.510 -0.369 0.000 2.681 608 c HN 0.299 nan 8.230 nan 0.000 0.613 609 I N 0.532 120.641 120.570 -0.767 0.000 3.067 609 I HA 0.808 4.978 4.170 -0.000 0.000 0.312 609 I C -1.478 173.971 176.117 -1.114 0.000 1.073 609 I CA -0.898 59.952 61.300 -0.751 0.000 1.016 609 I CB 1.834 39.645 38.000 -0.315 0.000 1.227 609 I HN 0.539 nan 8.210 nan 0.000 0.456 610 Y N 0.548 120.727 120.300 -0.201 0.000 2.512 610 Y HA 0.459 5.009 4.550 -0.000 0.000 0.348 610 Y C -0.737 175.039 175.900 -0.207 0.000 0.990 610 Y CA -0.943 56.981 58.100 -0.293 0.000 1.033 610 Y CB 1.086 39.392 38.460 -0.257 0.000 1.259 610 Y HN 0.380 nan 8.280 nan 0.000 0.461 611 Y N 2.592 122.737 120.300 -0.258 0.000 2.895 611 Y HA -0.036 4.514 4.550 -0.000 0.000 0.334 611 Y C -1.451 174.141 175.900 -0.513 0.000 1.261 611 Y CA -1.167 56.586 58.100 -0.578 0.000 1.560 611 Y CB 0.233 37.972 38.460 -1.202 0.000 1.253 611 Y HN 0.492 nan 8.280 nan 0.000 0.582 612 P HA -0.079 nan 4.420 nan 0.000 0.240 612 P C 0.504 177.794 177.300 -0.016 0.000 1.190 612 P CA 0.774 63.839 63.100 -0.058 0.000 0.781 612 P CB 0.203 31.943 31.700 0.066 0.000 0.931 613 W N -1.247 120.092 121.300 0.065 0.000 3.400 613 W HA 0.397 5.057 4.660 -0.000 0.000 0.347 613 W C -0.477 176.069 176.519 0.044 0.000 1.218 613 W CA -0.174 57.189 57.345 0.029 0.000 1.837 613 W CB -0.959 28.495 29.460 -0.011 0.000 1.067 613 W HN -0.174 nan 8.180 nan 0.000 0.701 614 T N 0.813 115.350 114.554 -0.028 0.000 2.888 614 T HA 0.570 4.920 4.350 -0.000 0.000 0.284 614 T C 0.434 175.146 174.700 0.020 0.000 1.017 614 T CA 0.871 62.986 62.100 0.025 0.000 1.022 614 T CB 1.121 69.922 68.868 -0.111 0.000 1.013 614 T HN 0.540 nan 8.240 nan 0.000 0.465 615 G N 2.622 111.457 108.800 0.058 0.000 2.819 615 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.682 615 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.682 615 G C -0.463 174.482 174.900 0.074 0.000 1.481 615 G CA 0.149 45.282 45.100 0.055 0.000 0.904 615 G HN 1.263 nan 8.290 nan 0.000 0.563 616 H N 0.000 119.079 119.070 0.016 0.000 2.539 616 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 616 H CA 0.000 56.058 56.048 0.017 0.000 1.023 616 H CB 0.000 29.769 29.762 0.011 0.000 1.292 616 H HN 0.000 nan 8.280 nan 0.000 0.496