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 2qtw_1_B DATA FIRST_RESID 153 DATA SEQUENCE SIPWNLERIT PPRYRXXXXX XXXGGSLVEV YLLDTSIQSD HREIEGRVMV DATA SEQUENCE TDFENVPEED XXXXXXXASK cDSHGTHLAG VVSGRDAGVA KGASMRSLRV DATA SEQUENCE LNcQGKGTVS GTLIGLEFIR KSQLVQPVGP LVVLLPLAGG YSRVLNAACQ DATA SEQUENCE RLARAGVVLV TAAGNFRDDA cLYSPASAPE VITVGATNAQ DQPVTLGTLG DATA SEQUENCE TNFGRcVDLF APGEDIIGAS SDCSTCFVSQ SGTSQAAAHV AGIAAMMLSA DATA SEQUENCE EPELTLAELR QRLIHFSAKD VINEAWFPED QRVLTPNLVA ALPPSTHXXG DATA SEQUENCE WQLFcRTVWS AHSGPTRMAT AIARcAPDEE LLScSSFSRS GKRRGERMEA DATA SEQUENCE QGGKLVcRAH NAFGGEGVYA IARccLLPQA NcSVHTAPPA EASMGTRVHc DATA SEQUENCE HQQGHVLTGc SSHWEVEDLX XXXXXXXXXX XQPNQcVGHR EASIHASccH DATA SEQUENCE APGLEcKVKE HGIPXXQEQV TVAcEEGWTL TGcSALPXXS HVLGAYAVDN DATA SEQUENCE TcVVRSRXXX XXXXXXXXAV TAVAIccRSR 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 153 S HA 0.000 nan 4.470 nan 0.000 0.327 153 S C 0.000 174.589 174.600 -0.018 0.000 1.055 153 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 153 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 154 I N 4.788 125.353 120.570 -0.010 0.000 2.741 154 I HA 0.262 4.431 4.170 -0.003 0.000 0.288 154 I C -2.212 173.901 176.117 -0.008 0.000 1.192 154 I CA -1.299 59.988 61.300 -0.022 0.000 1.426 154 I CB -0.709 37.280 38.000 -0.018 0.000 1.367 154 I HN 0.178 nan 8.210 nan 0.000 0.563 155 P HA -0.100 nan 4.420 nan 0.000 0.263 155 P C 1.133 178.421 177.300 -0.021 0.000 1.175 155 P CA -0.037 63.050 63.100 -0.022 0.000 0.761 155 P CB 0.239 31.886 31.700 -0.089 0.000 0.794 156 W N 5.696 126.992 121.300 -0.007 0.000 2.325 156 W HA -0.248 4.410 4.660 -0.003 0.000 0.299 156 W C 1.086 177.598 176.519 -0.012 0.000 1.215 156 W CA 1.628 58.964 57.345 -0.014 0.000 1.244 156 W CB -1.404 28.046 29.460 -0.017 0.000 1.140 156 W HN 0.349 nan 8.180 nan 0.000 0.523 157 N N 1.906 119.932 118.700 -1.123 0.000 2.188 157 N HA -0.194 4.544 4.740 -0.003 0.000 0.184 157 N C 1.951 177.190 175.510 -0.451 0.000 1.018 157 N CA 1.775 54.070 53.050 -1.258 0.000 0.858 157 N CB -1.208 36.560 38.487 -1.198 0.000 0.989 157 N HN 0.330 nan 8.380 nan 0.000 0.426 158 L N 0.204 121.264 121.223 -0.271 0.000 2.179 158 L HA 0.006 4.344 4.340 -0.003 0.000 0.208 158 L C 2.598 179.384 176.870 -0.141 0.000 1.096 158 L CA 0.936 55.681 54.840 -0.157 0.000 0.779 158 L CB -0.356 41.620 42.059 -0.138 0.000 0.922 158 L HN 0.118 nan 8.230 nan 0.000 0.443 159 E N 0.770 120.907 120.200 -0.105 0.000 2.106 159 E HA -0.235 4.114 4.350 -0.003 0.000 0.192 159 E C 2.174 178.744 176.600 -0.050 0.000 0.984 159 E CA 1.060 57.421 56.400 -0.066 0.000 0.806 159 E CB 0.007 29.713 29.700 0.010 0.000 0.750 159 E HN 0.062 nan 8.360 nan 0.000 0.458 160 R N 0.582 121.063 120.500 -0.032 0.000 2.096 160 R HA -0.049 4.290 4.340 -0.003 0.000 0.235 160 R C 2.153 178.432 176.300 -0.035 0.000 1.127 160 R CA 1.641 57.751 56.100 0.016 0.000 0.968 160 R CB -0.644 29.694 30.300 0.064 0.000 0.861 160 R HN 0.502 nan 8.270 nan 0.000 0.440 161 I N -2.461 118.060 120.570 -0.082 0.000 3.684 161 I HA 0.220 4.389 4.170 -0.003 0.000 0.304 161 I C -0.263 175.789 176.117 -0.109 0.000 1.278 161 I CA -0.028 61.230 61.300 -0.070 0.000 1.272 161 I CB 0.068 38.043 38.000 -0.043 0.000 1.029 161 I HN -0.225 nan 8.210 nan 0.000 0.458 162 T N 5.649 120.109 114.554 -0.155 0.000 2.794 162 T HA 0.302 4.650 4.350 -0.003 0.000 0.296 162 T C -2.115 172.475 174.700 -0.183 0.000 0.949 162 T CA -0.771 61.167 62.100 -0.269 0.000 1.101 162 T CB 0.686 69.298 68.868 -0.427 0.000 0.905 162 T HN 0.219 nan 8.240 nan 0.000 0.516 163 P HA 0.280 nan 4.420 nan 0.000 0.274 163 P C -2.255 175.077 177.300 0.053 0.000 1.256 163 P CA -1.728 61.345 63.100 -0.045 0.000 0.795 163 P CB 0.280 31.940 31.700 -0.066 0.000 1.038 164 P HA 0.022 nan 4.420 nan 0.000 0.230 164 P C 0.239 177.627 177.300 0.146 0.000 1.158 164 P CA 1.259 64.424 63.100 0.108 0.000 0.769 164 P CB 0.235 31.982 31.700 0.079 0.000 0.807 165 R N 0.472 121.068 120.500 0.160 0.000 2.515 165 R HA 0.480 4.819 4.340 -0.003 0.000 0.291 165 R C -1.620 174.800 176.300 0.199 0.000 1.046 165 R CA -1.092 55.087 56.100 0.130 0.000 0.914 165 R CB 0.240 30.580 30.300 0.067 0.000 1.191 165 R HN 0.009 nan 8.270 nan 0.000 0.435 166 Y N 0.035 120.317 120.300 -0.029 0.000 2.638 166 Y HA 0.742 5.289 4.550 -0.004 0.000 0.335 166 Y C -1.190 174.692 175.900 -0.030 0.000 1.155 166 Y CA -1.384 56.692 58.100 -0.041 0.000 1.046 166 Y CB 1.095 39.526 38.460 -0.048 0.000 1.303 166 Y HN 0.695 nan 8.280 nan 0.000 0.460 177 G N -1.237 107.543 108.800 -0.034 0.000 2.136 177 G HA2 -0.068 3.891 3.960 -0.003 0.000 0.242 177 G HA3 -0.068 3.891 3.960 -0.003 0.000 0.242 177 G C 1.413 176.295 174.900 -0.029 0.000 0.989 177 G CA 1.541 46.621 45.100 -0.033 0.000 0.682 177 G HN 2.059 nan 8.290 nan 0.000 0.522 178 S N -0.637 115.048 115.700 -0.025 0.000 2.425 178 S HA 0.158 4.626 4.470 -0.003 0.000 0.225 178 S C 2.198 176.787 174.600 -0.019 0.000 1.024 178 S CA 1.090 59.276 58.200 -0.024 0.000 0.951 178 S CB -0.066 63.121 63.200 -0.021 0.000 0.796 178 S HN 1.069 nan 8.310 nan 0.000 0.498 179 L N 1.831 123.046 121.223 -0.014 0.000 2.362 179 L HA 0.210 4.549 4.340 -0.003 0.000 0.219 179 L C -0.156 176.711 176.870 -0.006 0.000 1.134 179 L CA 0.525 55.361 54.840 -0.008 0.000 0.807 179 L CB 0.023 42.079 42.059 -0.005 0.000 0.927 179 L HN 0.158 nan 8.230 nan 0.000 0.447 180 V N 0.315 120.224 119.914 -0.010 0.000 2.612 180 V HA 0.309 4.427 4.120 -0.003 0.000 0.301 180 V C -0.276 175.810 176.094 -0.013 0.000 1.046 180 V CA -0.715 61.582 62.300 -0.005 0.000 0.946 180 V CB 1.700 33.518 31.823 -0.007 0.000 1.003 180 V HN 0.121 nan 8.190 nan 0.000 0.459 181 E N 1.449 121.649 120.200 0.001 0.000 2.199 181 E HA 0.591 4.939 4.350 -0.003 0.000 0.269 181 E C -1.615 174.986 176.600 0.001 0.000 0.899 181 E CA -0.541 55.842 56.400 -0.029 0.000 0.772 181 E CB 2.285 31.966 29.700 -0.031 0.000 1.155 181 E HN 0.470 nan 8.360 nan 0.000 0.408 182 V N 4.382 124.265 119.914 -0.052 0.000 2.347 182 V HA 0.248 4.367 4.120 -0.003 0.000 0.280 182 V C -0.833 175.235 176.094 -0.043 0.000 1.021 182 V CA -0.689 61.607 62.300 -0.007 0.000 0.847 182 V CB 0.282 32.087 31.823 -0.031 0.000 0.990 182 V HN 0.619 nan 8.190 nan 0.000 0.444 183 Y N 4.447 124.739 120.300 -0.014 0.000 2.299 183 Y HA 0.553 5.101 4.550 -0.002 0.000 0.326 183 Y C 0.008 175.901 175.900 -0.011 0.000 1.164 183 Y CA -0.322 57.775 58.100 -0.006 0.000 1.234 183 Y CB 1.619 40.078 38.460 -0.001 0.000 1.219 183 Y HN 0.529 nan 8.280 nan 0.000 0.497 184 L N 4.779 126.080 121.223 0.129 0.000 2.325 184 L HA 0.539 4.877 4.340 -0.003 0.000 0.281 184 L C -1.766 175.159 176.870 0.092 0.000 1.004 184 L CA -0.683 54.201 54.840 0.074 0.000 0.823 184 L CB 0.988 43.057 42.059 0.018 0.000 1.236 184 L HN 0.473 nan 8.230 nan 0.000 0.415 185 L N 6.125 127.395 121.223 0.078 0.000 2.277 185 L HA 0.647 4.985 4.340 -0.003 0.000 0.284 185 L C -0.122 176.801 176.870 0.088 0.000 1.028 185 L CA 0.242 55.126 54.840 0.074 0.000 0.835 185 L CB 0.942 43.028 42.059 0.046 0.000 1.215 185 L HN 0.681 nan 8.230 nan 0.000 0.425 186 D N -0.460 119.999 120.400 0.099 0.000 3.376 186 D HA 0.255 4.893 4.640 -0.003 0.000 0.344 186 D C -0.435 175.933 176.300 0.113 0.000 1.428 186 D CA -0.053 54.025 54.000 0.130 0.000 0.949 186 D CB 1.304 42.181 40.800 0.129 0.000 1.451 186 D HN 0.368 nan 8.370 nan 0.000 0.578 187 T N -0.903 113.732 114.554 0.135 0.000 2.732 187 T HA 0.475 4.823 4.350 -0.003 0.000 0.287 187 T C 0.863 175.600 174.700 0.062 0.000 0.993 187 T CA -0.285 61.867 62.100 0.087 0.000 0.966 187 T CB 0.254 69.182 68.868 0.101 0.000 1.047 187 T HN 0.378 nan 8.240 nan 0.000 0.527 188 S N 0.219 115.943 115.700 0.039 0.000 2.589 188 S HA 0.441 4.909 4.470 -0.003 0.000 0.265 188 S C 0.315 174.928 174.600 0.021 0.000 1.342 188 S CA -0.808 57.406 58.200 0.025 0.000 1.005 188 S CB -0.497 62.710 63.200 0.012 0.000 0.909 188 S HN 1.020 nan 8.310 nan 0.000 0.555 189 I N -2.341 118.235 120.570 0.009 0.000 2.892 189 I HA 0.470 4.638 4.170 -0.003 0.000 0.306 189 I C -0.474 175.640 176.117 -0.004 0.000 1.078 189 I CA -1.111 60.187 61.300 -0.005 0.000 1.032 189 I CB 2.059 40.048 38.000 -0.018 0.000 1.229 189 I HN 0.650 nan 8.210 nan 0.000 0.435 190 Q N 2.652 122.447 119.800 -0.008 0.000 2.553 190 Q HA 0.196 4.534 4.340 -0.003 0.000 0.221 190 Q C 0.585 176.594 176.000 0.015 0.000 1.219 190 Q CA -0.183 55.626 55.803 0.011 0.000 0.955 190 Q CB 0.843 29.599 28.738 0.031 0.000 1.399 190 Q HN 0.938 nan 8.270 nan 0.000 0.551 191 S N 2.050 117.753 115.700 0.006 0.000 2.515 191 S HA -0.062 4.406 4.470 -0.003 0.000 0.231 191 S C 0.482 175.087 174.600 0.009 0.000 0.987 191 S CA 0.578 58.778 58.200 0.001 0.000 0.936 191 S CB 0.239 63.435 63.200 -0.006 0.000 0.766 191 S HN 0.560 nan 8.310 nan 0.000 0.528 192 D N 0.550 120.959 120.400 0.015 0.000 2.339 192 D HA 0.129 4.767 4.640 -0.003 0.000 0.217 192 D C 0.318 176.621 176.300 0.005 0.000 1.050 192 D CA 0.077 54.079 54.000 0.003 0.000 0.856 192 D CB -0.418 40.376 40.800 -0.010 0.000 0.922 192 D HN 0.602 nan 8.370 nan 0.000 0.518 193 H N 1.284 120.314 119.070 -0.067 0.000 2.972 193 H HA 0.018 4.572 4.556 -0.003 0.000 0.343 193 H C 1.481 176.757 175.328 -0.088 0.000 1.054 193 H CA 0.255 56.246 56.048 -0.095 0.000 1.412 193 H CB 0.807 30.489 29.762 -0.134 0.000 1.385 193 H HN -0.263 nan 8.280 nan 0.000 0.600 194 R N 3.091 123.464 120.500 -0.213 0.000 2.235 194 R HA -0.078 4.260 4.340 -0.003 0.000 0.213 194 R C 1.415 177.745 176.300 0.049 0.000 1.059 194 R CA 0.446 56.505 56.100 -0.068 0.000 0.997 194 R CB 0.037 30.271 30.300 -0.110 0.000 0.884 194 R HN 0.745 nan 8.270 nan 0.000 0.462 195 E N 0.932 121.241 120.200 0.182 0.000 2.153 195 E HA -0.115 4.234 4.350 -0.003 0.000 0.194 195 E C 1.891 178.512 176.600 0.035 0.000 0.988 195 E CA 1.217 57.684 56.400 0.111 0.000 0.811 195 E CB 0.178 29.901 29.700 0.038 0.000 0.746 195 E HN 0.521 nan 8.360 nan 0.000 0.466 196 I N -2.522 118.066 120.570 0.030 0.000 4.592 196 I HA 0.217 4.386 4.170 -0.003 0.000 0.329 196 I C 0.719 176.831 176.117 -0.010 0.000 1.309 196 I CA -0.381 60.910 61.300 -0.014 0.000 1.243 196 I CB 0.118 38.089 38.000 -0.049 0.000 1.241 196 I HN -0.238 nan 8.210 nan 0.000 0.434 197 E N 3.276 123.479 120.200 0.005 0.000 3.131 197 E HA -0.082 4.267 4.350 -0.003 0.000 0.258 197 E C 1.310 177.902 176.600 -0.013 0.000 0.901 197 E CA 1.438 57.835 56.400 -0.006 0.000 0.964 197 E CB -0.027 29.667 29.700 -0.011 0.000 0.903 197 E HN 0.678 nan 8.360 nan 0.000 0.537 198 G N 4.851 113.641 108.800 -0.016 0.000 2.184 198 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.264 198 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.264 198 G C 0.959 175.843 174.900 -0.026 0.000 0.975 198 G CA 0.488 45.577 45.100 -0.019 0.000 0.642 198 G HN 0.579 nan 8.290 nan 0.000 0.536 199 R N -0.798 119.683 120.500 -0.031 0.000 2.287 199 R HA 0.332 4.671 4.340 -0.003 0.000 0.197 199 R C 0.774 177.040 176.300 -0.056 0.000 0.900 199 R CA 0.655 56.730 56.100 -0.042 0.000 1.052 199 R CB 0.295 30.570 30.300 -0.042 0.000 1.117 199 R HN 0.398 nan 8.270 nan 0.000 0.568 200 V N 2.949 122.832 119.914 -0.052 0.000 2.394 200 V HA 0.350 4.469 4.120 -0.003 0.000 0.282 200 V C 0.317 176.381 176.094 -0.049 0.000 1.031 200 V CA -0.448 61.815 62.300 -0.061 0.000 0.881 200 V CB 1.833 33.622 31.823 -0.057 0.000 0.982 200 V HN 0.084 nan 8.190 nan 0.000 0.451 201 M N 5.743 125.306 119.600 -0.061 0.000 2.113 201 M HA 0.436 4.915 4.480 -0.003 0.000 0.352 201 M C -0.985 175.301 176.300 -0.023 0.000 1.170 201 M CA -0.397 54.880 55.300 -0.038 0.000 1.053 201 M CB 1.415 33.990 32.600 -0.041 0.000 1.601 201 M HN 0.448 nan 8.290 nan 0.000 0.459 202 V N 5.826 125.740 119.914 -0.002 0.000 2.455 202 V HA 0.074 4.193 4.120 -0.003 0.000 0.273 202 V C 1.528 177.648 176.094 0.043 0.000 1.045 202 V CA 0.204 62.513 62.300 0.016 0.000 0.976 202 V CB 0.740 32.570 31.823 0.011 0.000 0.993 202 V HN 1.004 nan 8.190 nan 0.000 0.475 203 T N -0.269 114.328 114.554 0.072 0.000 3.023 203 T HA -0.086 4.262 4.350 -0.003 0.000 0.266 203 T C 0.848 175.600 174.700 0.086 0.000 1.093 203 T CA 0.710 62.886 62.100 0.127 0.000 1.129 203 T CB -0.206 68.782 68.868 0.200 0.000 0.899 203 T HN 0.718 nan 8.240 nan 0.000 0.491 204 D N 0.128 120.552 120.400 0.041 0.000 3.059 204 D HA -0.170 4.469 4.640 -0.003 0.000 0.220 204 D C -0.253 176.013 176.300 -0.057 0.000 1.169 204 D CA 0.526 54.524 54.000 -0.002 0.000 0.902 204 D CB -1.949 38.851 40.800 0.000 0.000 1.116 204 D HN 0.607 nan 8.370 nan 0.000 0.417 205 F N 1.729 121.529 119.950 -0.251 0.000 2.578 205 F HA 0.197 4.723 4.527 -0.003 0.000 0.376 205 F C 0.573 176.239 175.800 -0.223 0.000 1.085 205 F CA 0.422 58.183 58.000 -0.398 0.000 1.260 205 F CB 0.549 39.044 39.000 -0.842 0.000 1.095 205 F HN -0.079 nan 8.300 nan 0.000 0.573 206 E N 5.744 125.382 120.200 -0.937 0.000 2.291 206 E HA 0.215 4.564 4.350 -0.003 0.000 0.276 206 E C -1.888 174.272 176.600 -0.734 0.000 0.896 206 E CA -0.822 55.239 56.400 -0.564 0.000 0.774 206 E CB 1.076 30.605 29.700 -0.285 0.000 1.227 206 E HN 0.684 nan 8.360 nan 0.000 0.413 207 N N 4.365 122.823 118.700 -0.403 0.000 2.621 207 N HA 0.254 4.992 4.740 -0.003 0.000 0.271 207 N C -1.707 173.769 175.510 -0.058 0.000 1.181 207 N CA -0.167 52.749 53.050 -0.224 0.000 0.805 207 N CB 1.650 40.061 38.487 -0.127 0.000 1.351 207 N HN 0.369 nan 8.380 nan 0.000 0.539 208 V N 1.334 121.210 119.914 -0.063 0.000 2.925 208 V HA 0.784 4.903 4.120 -0.003 0.000 0.311 208 V C -2.483 173.596 176.094 -0.025 0.000 1.104 208 V CA -1.660 60.625 62.300 -0.026 0.000 0.954 208 V CB 1.718 33.526 31.823 -0.025 0.000 1.022 208 V HN 0.322 nan 8.190 nan 0.000 0.427 209 P HA 0.316 nan 4.420 nan 0.000 0.276 209 P C -0.378 176.914 177.300 -0.014 0.000 1.252 209 P CA -0.290 62.803 63.100 -0.011 0.000 0.802 209 P CB 0.651 32.349 31.700 -0.003 0.000 1.035 210 E N 0.529 120.721 120.200 -0.013 0.000 2.404 210 E HA 0.083 4.431 4.350 -0.003 0.000 0.261 210 E C -0.536 176.059 176.600 -0.009 0.000 1.074 210 E CA -0.521 55.872 56.400 -0.013 0.000 0.917 210 E CB 0.251 29.944 29.700 -0.012 0.000 0.965 210 E HN 0.257 nan 8.360 nan 0.000 0.433 211 E N 1.550 121.745 120.200 -0.009 0.000 2.418 211 E HA 0.092 4.441 4.350 -0.003 0.000 0.261 211 E C -0.338 176.260 176.600 -0.004 0.000 1.070 211 E CA 0.671 57.067 56.400 -0.006 0.000 0.931 211 E CB 0.543 30.239 29.700 -0.007 0.000 0.954 211 E HN 0.606 nan 8.360 nan 0.000 0.439 221 S N 0.626 116.332 115.700 0.011 0.000 2.365 221 S HA -0.255 4.214 4.470 -0.003 0.000 0.225 221 S C 2.076 176.685 174.600 0.015 0.000 1.039 221 S CA 2.333 60.542 58.200 0.015 0.000 1.033 221 S CB -0.324 62.886 63.200 0.016 0.000 0.887 221 S HN 0.548 nan 8.310 nan 0.000 0.447 222 K N -0.131 120.277 120.400 0.013 0.000 2.062 222 K HA -0.062 4.257 4.320 -0.003 0.000 0.205 222 K C 2.295 178.905 176.600 0.016 0.000 1.051 222 K CA 1.471 57.766 56.287 0.013 0.000 0.941 222 K CB -0.659 31.846 32.500 0.009 0.000 0.719 222 K HN 0.533 nan 8.250 nan 0.000 0.440 223 c N 2.220 120.828 118.600 0.013 0.000 2.403 223 c HA -0.139 4.430 4.570 -0.003 0.000 0.277 223 c C 1.493 175.598 174.090 0.025 0.000 1.248 223 c CA 1.513 57.850 56.329 0.014 0.000 1.762 223 c CB -0.905 41.609 42.510 0.008 0.000 2.014 223 c HN 0.705 nan 8.230 nan 0.000 0.486 224 D N -0.479 119.935 120.400 0.024 0.000 2.424 224 D HA 0.077 4.716 4.640 -0.003 0.000 0.220 224 D C 1.437 177.756 176.300 0.031 0.000 1.150 224 D CA 0.446 54.463 54.000 0.028 0.000 0.831 224 D CB -0.452 40.357 40.800 0.014 0.000 0.981 224 D HN 0.324 nan 8.370 nan 0.000 0.500 225 S N -0.140 115.586 115.700 0.043 0.000 2.348 225 S HA -0.293 4.175 4.470 -0.003 0.000 0.221 225 S C 1.808 176.455 174.600 0.077 0.000 1.033 225 S CA 1.194 59.420 58.200 0.043 0.000 1.010 225 S CB -0.505 62.718 63.200 0.038 0.000 0.891 225 S HN 0.530 nan 8.310 nan 0.000 0.442 226 H N 0.134 119.202 119.070 -0.004 0.000 2.299 226 H HA -0.031 4.523 4.556 -0.002 0.000 0.302 226 H C 2.281 177.626 175.328 0.027 0.000 1.078 226 H CA 1.720 57.771 56.048 0.006 0.000 1.323 226 H CB -0.900 28.861 29.762 -0.003 0.000 1.381 226 H HN 0.538 nan 8.280 nan 0.000 0.498 227 G N -0.371 108.463 108.800 0.056 0.000 2.418 227 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.217 227 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.217 227 G C 1.763 176.622 174.900 -0.067 0.000 1.158 227 G CA 1.346 46.434 45.100 -0.020 0.000 0.771 227 G HN 0.427 nan 8.290 nan 0.000 0.545 228 T N -0.181 114.342 114.554 -0.051 0.000 2.746 228 T HA -0.140 4.208 4.350 -0.003 0.000 0.267 228 T C 2.019 176.623 174.700 -0.159 0.000 1.039 228 T CA 1.286 63.319 62.100 -0.111 0.000 1.142 228 T CB -0.425 68.371 68.868 -0.120 0.000 0.866 228 T HN 0.430 nan 8.240 nan 0.000 0.444 229 H N 1.050 120.001 119.070 -0.198 0.000 2.353 229 H HA 0.018 4.573 4.556 -0.002 0.000 0.300 229 H C 2.182 177.393 175.328 -0.195 0.000 1.090 229 H CA 1.245 57.175 56.048 -0.196 0.000 1.327 229 H CB -0.271 29.405 29.762 -0.144 0.000 1.383 229 H HN 0.308 nan 8.280 nan 0.000 0.508 230 L N 0.046 121.187 121.223 -0.136 0.000 2.109 230 L HA -0.080 4.258 4.340 -0.003 0.000 0.207 230 L C 3.127 179.887 176.870 -0.182 0.000 1.086 230 L CA 0.797 55.535 54.840 -0.170 0.000 0.760 230 L CB -0.557 41.380 42.059 -0.204 0.000 0.910 230 L HN 0.239 nan 8.230 nan 0.000 0.437 231 A N 0.551 123.273 122.820 -0.162 0.000 1.940 231 A HA -0.159 4.159 4.320 -0.003 0.000 0.219 231 A C 2.381 179.857 177.584 -0.179 0.000 1.176 231 A CA 1.887 53.837 52.037 -0.146 0.000 0.631 231 A CB -1.167 17.761 19.000 -0.120 0.000 0.814 231 A HN 0.452 nan 8.150 nan 0.000 0.446 232 G N -0.758 107.897 108.800 -0.242 0.000 2.394 232 G HA2 -0.038 3.920 3.960 -0.003 0.000 0.215 232 G HA3 -0.038 3.920 3.960 -0.003 0.000 0.215 232 G C 1.478 176.218 174.900 -0.266 0.000 1.165 232 G CA 1.090 46.033 45.100 -0.261 0.000 0.784 232 G HN 0.319 nan 8.290 nan 0.000 0.535 233 V N 0.669 120.377 119.914 -0.343 0.000 2.332 233 V HA -0.176 3.943 4.120 -0.003 0.000 0.248 233 V C 2.985 178.893 176.094 -0.309 0.000 1.055 233 V CA 1.537 63.625 62.300 -0.354 0.000 1.038 233 V CB -0.419 31.188 31.823 -0.359 0.000 0.651 233 V HN 0.246 nan 8.190 nan 0.000 0.450 234 V N 0.675 120.450 119.914 -0.232 0.000 2.283 234 V HA -0.117 4.001 4.120 -0.003 0.000 0.243 234 V C 2.085 178.088 176.094 -0.152 0.000 1.039 234 V CA 2.225 64.416 62.300 -0.181 0.000 1.016 234 V CB -0.228 31.517 31.823 -0.131 0.000 0.650 234 V HN 0.742 nan 8.190 nan 0.000 0.449 235 S N -0.968 114.651 115.700 -0.136 0.000 2.733 235 S HA 0.310 4.779 4.470 -0.003 0.000 0.247 235 S C 1.022 175.571 174.600 -0.085 0.000 1.043 235 S CA 0.228 58.366 58.200 -0.102 0.000 1.066 235 S CB 0.224 63.370 63.200 -0.089 0.000 1.045 235 S HN 0.522 nan 8.310 nan 0.000 0.586 236 G N 1.706 110.448 108.800 -0.096 0.000 2.353 236 G HA2 0.222 4.180 3.960 -0.003 0.000 0.239 236 G HA3 0.222 4.180 3.960 -0.003 0.000 0.239 236 G C 0.584 175.475 174.900 -0.016 0.000 1.295 236 G CA -0.403 44.666 45.100 -0.052 0.000 0.884 236 G HN 0.423 nan 8.290 nan 0.000 0.537 237 R N 1.068 121.577 120.500 0.016 0.000 2.113 237 R HA -0.140 4.198 4.340 -0.003 0.000 0.244 237 R C 1.426 177.743 176.300 0.028 0.000 1.142 237 R CA 2.365 58.478 56.100 0.023 0.000 0.953 237 R CB 0.072 30.398 30.300 0.043 0.000 0.860 237 R HN 0.628 nan 8.270 nan 0.000 0.438 238 D N -1.956 118.487 120.400 0.072 0.000 2.431 238 D HA 0.106 4.744 4.640 -0.003 0.000 0.235 238 D C 0.564 176.864 176.300 -0.000 0.000 0.980 238 D CA 1.193 55.218 54.000 0.042 0.000 0.912 238 D CB 0.510 41.351 40.800 0.069 0.000 1.056 238 D HN 0.300 nan 8.370 nan 0.000 0.494 239 A N 0.426 123.269 122.820 0.038 0.000 2.564 239 A HA 0.542 4.861 4.320 -0.003 0.000 0.279 239 A C 0.990 178.524 177.584 -0.084 0.000 1.232 239 A CA -0.019 52.006 52.037 -0.020 0.000 0.950 239 A CB 0.252 19.279 19.000 0.044 0.000 1.138 239 A HN 0.117 nan 8.150 nan 0.000 0.526 240 G N -1.303 107.444 108.800 -0.088 0.000 2.528 240 G HA2 0.428 4.386 3.960 -0.003 0.000 0.289 240 G HA3 0.428 4.386 3.960 -0.003 0.000 0.289 240 G C 0.749 175.554 174.900 -0.159 0.000 1.192 240 G CA 0.029 45.043 45.100 -0.144 0.000 0.921 240 G HN 0.056 nan 8.290 nan 0.000 0.512 241 V N 0.826 120.621 119.914 -0.200 0.000 2.379 241 V HA 0.161 4.279 4.120 -0.003 0.000 0.243 241 V C 1.968 177.989 176.094 -0.122 0.000 1.035 241 V CA 1.811 64.005 62.300 -0.177 0.000 1.035 241 V CB -0.130 31.562 31.823 -0.218 0.000 0.673 241 V HN 0.800 nan 8.190 nan 0.000 0.457 242 A N -0.238 122.514 122.820 -0.112 0.000 3.056 242 A HA 0.359 4.678 4.320 -0.003 0.000 0.328 242 A C 1.204 178.743 177.584 -0.075 0.000 1.233 242 A CA -0.416 51.571 52.037 -0.083 0.000 0.965 242 A CB -0.067 18.887 19.000 -0.076 0.000 1.123 242 A HN 0.383 nan 8.150 nan 0.000 0.502 243 K N 0.855 121.214 120.400 -0.068 0.000 2.074 243 K HA -0.171 4.148 4.320 -0.003 0.000 0.209 243 K C 2.199 178.772 176.600 -0.045 0.000 1.048 243 K CA 1.358 57.612 56.287 -0.055 0.000 0.926 243 K CB -0.179 32.295 32.500 -0.044 0.000 0.713 243 K HN 0.718 nan 8.250 nan 0.000 0.444 244 G N 1.894 110.670 108.800 -0.041 0.000 2.864 244 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.250 244 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.250 244 G C 0.636 175.510 174.900 -0.045 0.000 1.154 244 G CA 1.490 46.567 45.100 -0.038 0.000 0.755 244 G HN 0.536 nan 8.290 nan 0.000 0.697 245 A N -0.829 121.959 122.820 -0.053 0.000 2.313 245 A HA 0.603 4.922 4.320 -0.003 0.000 0.261 245 A C 0.596 178.144 177.584 -0.060 0.000 1.090 245 A CA 0.307 52.312 52.037 -0.053 0.000 0.807 245 A CB 0.529 19.495 19.000 -0.057 0.000 1.055 245 A HN 0.591 nan 8.150 nan 0.000 0.492 246 S N 0.780 116.442 115.700 -0.062 0.000 2.545 246 S HA 0.549 5.017 4.470 -0.003 0.000 0.275 246 S C -0.129 174.406 174.600 -0.108 0.000 1.299 246 S CA -0.030 58.123 58.200 -0.078 0.000 1.048 246 S CB 0.364 63.520 63.200 -0.074 0.000 0.938 246 S HN 0.573 nan 8.310 nan 0.000 0.496 247 M N 2.762 122.287 119.600 -0.125 0.000 2.591 247 M HA 0.529 5.008 4.480 -0.003 0.000 0.306 247 M C -0.552 175.617 176.300 -0.220 0.000 1.190 247 M CA -0.594 54.606 55.300 -0.166 0.000 0.889 247 M CB 2.281 34.810 32.600 -0.118 0.000 1.728 247 M HN 0.429 nan 8.290 nan 0.000 0.458 248 R N 0.781 121.074 120.500 -0.345 0.000 2.621 248 R HA 0.617 4.956 4.340 -0.003 0.000 0.292 248 R C -1.135 175.072 176.300 -0.155 0.000 0.969 248 R CA -0.695 55.207 56.100 -0.330 0.000 0.887 248 R CB 2.285 32.183 30.300 -0.669 0.000 1.180 248 R HN 0.828 nan 8.270 nan 0.000 0.450 249 S N 2.627 118.310 115.700 -0.030 0.000 2.482 249 S HA 0.650 5.119 4.470 -0.003 0.000 0.303 249 S C -0.626 174.027 174.600 0.087 0.000 1.091 249 S CA -0.930 57.291 58.200 0.035 0.000 1.057 249 S CB 1.443 64.651 63.200 0.013 0.000 1.031 249 S HN 0.244 nan 8.310 nan 0.000 0.485 250 L N 2.030 123.319 121.223 0.109 0.000 2.346 250 L HA 0.581 4.919 4.340 -0.003 0.000 0.274 250 L C 0.247 177.208 176.870 0.152 0.000 1.007 250 L CA -0.550 54.369 54.840 0.131 0.000 0.818 250 L CB 1.702 43.770 42.059 0.016 0.000 1.284 250 L HN 0.781 nan 8.230 nan 0.000 0.424 251 R N 1.910 122.524 120.500 0.191 0.000 2.204 251 R HA 0.469 4.808 4.340 -0.003 0.000 0.341 251 R C 0.092 176.481 176.300 0.149 0.000 1.035 251 R CA -0.110 56.060 56.100 0.117 0.000 0.887 251 R CB 0.775 31.099 30.300 0.040 0.000 1.114 251 R HN 0.625 nan 8.270 nan 0.000 0.473 252 V N 2.672 122.665 119.914 0.131 0.000 3.432 252 V HA 0.362 4.481 4.120 -0.003 0.000 0.298 252 V C -0.237 175.898 176.094 0.068 0.000 1.464 252 V CA -0.219 62.155 62.300 0.124 0.000 1.046 252 V CB 0.201 32.109 31.823 0.143 0.000 0.887 252 V HN 0.462 nan 8.190 nan 0.000 0.441 253 L N 3.044 124.299 121.223 0.054 0.000 2.362 253 L HA 0.573 4.912 4.340 -0.003 0.000 0.275 253 L C 0.059 176.939 176.870 0.016 0.000 0.998 253 L CA -0.652 54.205 54.840 0.028 0.000 0.820 253 L CB 1.997 44.071 42.059 0.025 0.000 1.270 253 L HN 0.426 nan 8.230 nan 0.000 0.415 254 N N 0.540 119.241 118.700 0.002 0.000 2.322 254 N HA 0.030 4.768 4.740 -0.003 0.000 0.270 254 N C 0.766 176.273 175.510 -0.004 0.000 1.286 254 N CA -0.434 52.613 53.050 -0.004 0.000 0.948 254 N CB 0.196 38.678 38.487 -0.008 0.000 1.164 254 N HN 0.563 nan 8.380 nan 0.000 0.551 255 c N -1.465 117.132 118.600 -0.005 0.000 2.422 255 c HA -0.006 4.562 4.570 -0.003 0.000 0.286 255 c C 1.939 176.024 174.090 -0.008 0.000 1.412 255 c CA 0.495 56.822 56.329 -0.003 0.000 1.786 255 c CB -1.429 41.079 42.510 -0.003 0.000 1.835 255 c HN 0.655 nan 8.230 nan 0.000 0.533 256 Q N -0.375 119.417 119.800 -0.012 0.000 2.319 256 Q HA 0.215 4.554 4.340 -0.003 0.000 0.202 256 Q C 1.499 177.477 176.000 -0.037 0.000 0.896 256 Q CA 0.546 56.338 55.803 -0.018 0.000 0.942 256 Q CB 0.300 29.031 28.738 -0.012 0.000 1.083 256 Q HN 0.678 nan 8.270 nan 0.000 0.510 257 G N 2.198 110.969 108.800 -0.048 0.000 2.147 257 G HA2 -0.310 3.648 3.960 -0.003 0.000 0.244 257 G HA3 -0.310 3.648 3.960 -0.003 0.000 0.244 257 G C -0.095 174.767 174.900 -0.063 0.000 1.005 257 G CA 0.410 45.453 45.100 -0.094 0.000 0.713 257 G HN 0.225 nan 8.290 nan 0.000 0.515 258 K N 0.051 120.435 120.400 -0.026 0.000 2.221 258 K HA 0.671 4.989 4.320 -0.003 0.000 0.258 258 K C 0.680 177.282 176.600 0.003 0.000 0.944 258 K CA -0.011 56.272 56.287 -0.006 0.000 0.823 258 K CB 1.155 33.655 32.500 0.000 0.000 1.113 258 K HN 0.388 nan 8.250 nan 0.000 0.431 259 G N 0.518 109.326 108.800 0.014 0.000 3.105 259 G HA2 0.534 4.492 3.960 -0.003 0.000 0.277 259 G HA3 0.534 4.492 3.960 -0.003 0.000 0.277 259 G C -1.046 173.868 174.900 0.023 0.000 1.375 259 G CA -0.642 44.471 45.100 0.022 0.000 0.962 259 G HN 0.602 nan 8.290 nan 0.000 0.541 260 T N -3.016 111.555 114.554 0.028 0.000 2.916 260 T HA 0.481 4.829 4.350 -0.003 0.000 0.292 260 T C 1.006 175.722 174.700 0.027 0.000 1.055 260 T CA -0.348 61.767 62.100 0.024 0.000 1.009 260 T CB 1.613 70.492 68.868 0.020 0.000 1.118 260 T HN 0.334 nan 8.240 nan 0.000 0.497 261 V N 1.867 121.791 119.914 0.017 0.000 2.343 261 V HA -0.188 3.931 4.120 -0.003 0.000 0.247 261 V C 3.102 179.207 176.094 0.018 0.000 1.051 261 V CA 2.679 64.986 62.300 0.011 0.000 1.036 261 V CB -1.159 30.662 31.823 -0.003 0.000 0.654 261 V HN 1.097 nan 8.190 nan 0.000 0.451 262 S N 0.929 116.642 115.700 0.022 0.000 2.368 262 S HA -0.134 4.334 4.470 -0.003 0.000 0.225 262 S C 2.136 176.771 174.600 0.060 0.000 1.030 262 S CA 1.526 59.745 58.200 0.032 0.000 0.999 262 S CB -1.128 62.089 63.200 0.027 0.000 0.844 262 S HN 0.545 nan 8.310 nan 0.000 0.459 263 G N 1.332 110.173 108.800 0.068 0.000 2.422 263 G HA2 -0.126 3.832 3.960 -0.003 0.000 0.218 263 G HA3 -0.126 3.832 3.960 -0.003 0.000 0.218 263 G C 1.476 176.460 174.900 0.141 0.000 1.146 263 G CA 1.424 46.596 45.100 0.119 0.000 0.769 263 G HN 0.574 nan 8.290 nan 0.000 0.547 264 T N 1.499 116.100 114.554 0.078 0.000 2.777 264 T HA -0.019 4.329 4.350 -0.003 0.000 0.266 264 T C 2.438 177.147 174.700 0.015 0.000 1.040 264 T CA 0.899 63.026 62.100 0.044 0.000 1.141 264 T CB -0.218 68.666 68.868 0.027 0.000 0.868 264 T HN 0.169 nan 8.240 nan 0.000 0.444 265 L N 0.383 121.617 121.223 0.019 0.000 2.012 265 L HA -0.084 4.255 4.340 -0.003 0.000 0.210 265 L C 2.503 179.382 176.870 0.015 0.000 1.073 265 L CA 1.384 56.227 54.840 0.006 0.000 0.748 265 L CB -0.690 41.376 42.059 0.012 0.000 0.891 265 L HN 0.253 nan 8.230 nan 0.000 0.431 266 I N -0.176 120.437 120.570 0.071 0.000 2.286 266 I HA -0.200 3.969 4.170 -0.003 0.000 0.248 266 I C 2.627 178.735 176.117 -0.016 0.000 1.115 266 I CA 1.341 62.719 61.300 0.131 0.000 1.392 266 I CB -0.821 37.336 38.000 0.261 0.000 1.065 266 I HN 0.281 nan 8.210 nan 0.000 0.418 267 G N 1.152 109.859 108.800 -0.156 0.000 2.421 267 G HA2 -0.187 3.772 3.960 -0.003 0.000 0.216 267 G HA3 -0.187 3.772 3.960 -0.003 0.000 0.216 267 G C 1.692 176.410 174.900 -0.303 0.000 1.171 267 G CA 0.491 45.241 45.100 -0.584 0.000 0.775 267 G HN 0.258 nan 8.290 nan 0.000 0.543 268 L N 0.203 121.334 121.223 -0.155 0.000 2.042 268 L HA -0.086 4.253 4.340 -0.003 0.000 0.210 268 L C 2.769 179.566 176.870 -0.122 0.000 1.076 268 L CA 1.616 56.378 54.840 -0.129 0.000 0.749 268 L CB -0.383 41.626 42.059 -0.084 0.000 0.893 268 L HN 0.356 nan 8.230 nan 0.000 0.432 269 E N 0.125 120.278 120.200 -0.079 0.000 2.077 269 E HA -0.274 4.074 4.350 -0.003 0.000 0.193 269 E C 2.182 178.743 176.600 -0.065 0.000 0.989 269 E CA 1.228 57.595 56.400 -0.055 0.000 0.800 269 E CB -0.120 29.578 29.700 -0.004 0.000 0.746 269 E HN 0.401 nan 8.360 nan 0.000 0.452 270 F N 1.330 121.140 119.950 -0.234 0.000 2.126 270 F HA -0.188 4.337 4.527 -0.003 0.000 0.299 270 F C 1.950 177.600 175.800 -0.251 0.000 1.096 270 F CA 1.509 59.365 58.000 -0.240 0.000 1.255 270 F CB -0.093 38.633 39.000 -0.457 0.000 0.997 270 F HN 0.006 nan 8.300 nan 0.000 0.479 271 I N -0.037 120.407 120.570 -0.211 0.000 2.163 271 I HA -0.313 3.855 4.170 -0.003 0.000 0.243 271 I C 2.535 178.413 176.117 -0.399 0.000 1.085 271 I CA 1.468 62.482 61.300 -0.477 0.000 1.347 271 I CB -0.487 37.146 38.000 -0.612 0.000 1.044 271 I HN 0.082 nan 8.210 nan 0.000 0.408 272 R N 1.747 122.084 120.500 -0.272 0.000 2.081 272 R HA -0.139 4.200 4.340 -0.003 0.000 0.235 272 R C 2.062 178.247 176.300 -0.192 0.000 1.131 272 R CA 1.676 57.658 56.100 -0.197 0.000 0.960 272 R CB -0.347 29.872 30.300 -0.136 0.000 0.856 272 R HN 0.249 nan 8.270 nan 0.000 0.436 273 K N -0.358 119.908 120.400 -0.223 0.000 2.057 273 K HA -0.034 4.284 4.320 -0.003 0.000 0.207 273 K C 2.145 178.588 176.600 -0.261 0.000 1.049 273 K CA 1.696 57.853 56.287 -0.217 0.000 0.931 273 K CB -0.100 32.268 32.500 -0.219 0.000 0.714 273 K HN 0.102 nan 8.250 nan 0.000 0.440 274 S N 1.351 116.812 115.700 -0.397 0.000 2.370 274 S HA -0.233 4.235 4.470 -0.003 0.000 0.226 274 S C 2.030 176.539 174.600 -0.152 0.000 1.033 274 S CA 1.275 59.288 58.200 -0.312 0.000 1.011 274 S CB -0.202 62.789 63.200 -0.347 0.000 0.852 274 S HN 0.346 nan 8.310 nan 0.000 0.457 275 Q N 0.597 120.310 119.800 -0.146 0.000 2.084 275 Q HA -0.075 4.263 4.340 -0.003 0.000 0.202 275 Q C 2.114 178.073 176.000 -0.069 0.000 0.978 275 Q CA 1.138 56.892 55.803 -0.081 0.000 0.844 275 Q CB -0.215 28.467 28.738 -0.093 0.000 0.898 275 Q HN 0.490 nan 8.270 nan 0.000 0.426 276 L N -0.254 120.918 121.223 -0.086 0.000 2.083 276 L HA -0.180 4.159 4.340 -0.003 0.000 0.209 276 L C 2.301 179.138 176.870 -0.055 0.000 1.083 276 L CA 0.718 55.519 54.840 -0.065 0.000 0.752 276 L CB -0.203 41.815 42.059 -0.069 0.000 0.899 276 L HN 0.136 nan 8.230 nan 0.000 0.433 277 V N -0.837 119.037 119.914 -0.067 0.000 2.535 277 V HA -0.106 4.013 4.120 -0.003 0.000 0.246 277 V C 0.877 176.949 176.094 -0.037 0.000 1.045 277 V CA 1.024 63.292 62.300 -0.053 0.000 1.058 277 V CB -0.290 31.492 31.823 -0.067 0.000 0.689 277 V HN 0.581 nan 8.190 nan 0.000 0.461 278 Q N -0.014 119.764 119.800 -0.036 0.000 3.255 278 Q HA 0.360 4.699 4.340 -0.003 0.000 0.231 278 Q C -3.097 172.898 176.000 -0.009 0.000 0.935 278 Q CA -1.816 53.977 55.803 -0.018 0.000 0.714 278 Q CB 0.927 29.659 28.738 -0.010 0.000 1.345 278 Q HN 0.255 nan 8.270 nan 0.000 0.463 279 P HA 0.056 nan 4.420 nan 0.000 0.268 279 P C 0.216 177.519 177.300 0.004 0.000 1.204 279 P CA -0.008 63.088 63.100 -0.006 0.000 0.768 279 P CB 1.206 32.900 31.700 -0.010 0.000 0.842 280 V N 0.894 120.816 119.914 0.012 0.000 4.665 280 V HA 0.893 5.012 4.120 -0.003 0.000 0.293 280 V C 0.556 176.659 176.094 0.014 0.000 1.444 280 V CA -0.111 62.198 62.300 0.015 0.000 0.868 280 V CB 0.458 32.296 31.823 0.025 0.000 1.311 280 V HN 0.557 nan 8.190 nan 0.000 0.455 281 G N -0.520 108.289 108.800 0.015 0.000 2.630 281 G HA2 0.605 4.564 3.960 -0.003 0.000 0.223 281 G HA3 0.605 4.564 3.960 -0.003 0.000 0.223 281 G C -2.706 172.205 174.900 0.019 0.000 1.434 281 G CA -1.256 43.852 45.100 0.013 0.000 1.057 281 G HN 0.695 nan 8.290 nan 0.000 0.570 282 P HA 0.263 nan 4.420 nan 0.000 0.265 282 P C -0.919 176.401 177.300 0.033 0.000 1.187 282 P CA 0.030 63.140 63.100 0.018 0.000 0.766 282 P CB 0.663 32.370 31.700 0.012 0.000 0.820 283 L N 3.791 125.038 121.223 0.040 0.000 2.346 283 L HA 0.423 4.761 4.340 -0.003 0.000 0.276 283 L C -0.445 176.459 176.870 0.057 0.000 1.006 283 L CA -0.463 54.423 54.840 0.077 0.000 0.817 283 L CB 2.137 44.247 42.059 0.086 0.000 1.272 283 L HN 0.084 nan 8.230 nan 0.000 0.421 284 V N 3.943 123.903 119.914 0.077 0.000 2.495 284 V HA 0.601 4.720 4.120 -0.003 0.000 0.298 284 V C -0.502 175.646 176.094 0.089 0.000 1.031 284 V CA -0.782 61.550 62.300 0.054 0.000 0.871 284 V CB 2.099 33.939 31.823 0.028 0.000 0.988 284 V HN 0.405 nan 8.190 nan 0.000 0.432 285 V N 5.911 125.859 119.914 0.056 0.000 2.409 285 V HA 0.442 4.560 4.120 -0.003 0.000 0.291 285 V C -0.461 175.657 176.094 0.040 0.000 1.020 285 V CA -0.584 61.755 62.300 0.066 0.000 0.848 285 V CB 1.651 33.480 31.823 0.010 0.000 0.990 285 V HN 0.653 nan 8.190 nan 0.000 0.430 286 L N 6.806 128.058 121.223 0.049 0.000 2.264 286 L HA 0.580 4.918 4.340 -0.003 0.000 0.289 286 L C -0.566 176.326 176.870 0.036 0.000 1.044 286 L CA 0.105 54.962 54.840 0.029 0.000 0.807 286 L CB 1.069 43.138 42.059 0.016 0.000 1.192 286 L HN 0.584 nan 8.230 nan 0.000 0.425 287 L N 8.333 129.574 121.223 0.030 0.000 2.435 287 L HA 0.424 4.762 4.340 -0.003 0.000 0.253 287 L C -1.921 174.980 176.870 0.051 0.000 1.087 287 L CA -1.174 53.689 54.840 0.038 0.000 0.950 287 L CB 1.244 43.317 42.059 0.023 0.000 1.304 287 L HN 0.518 nan 8.230 nan 0.000 0.453 288 P HA 0.173 nan 4.420 nan 0.000 0.220 288 P C -1.068 176.322 177.300 0.150 0.000 1.778 288 P CA -0.119 63.051 63.100 0.117 0.000 0.912 288 P CB -0.062 31.721 31.700 0.139 0.000 1.861 289 L N -2.859 118.417 121.223 0.088 0.000 2.568 289 L HA 1.006 5.344 4.340 -0.003 0.000 0.257 289 L C -1.628 175.289 176.870 0.078 0.000 1.024 289 L CA -1.475 53.407 54.840 0.072 0.000 0.854 289 L CB 1.327 43.425 42.059 0.065 0.000 1.460 289 L HN -0.073 nan 8.230 nan 0.000 0.409 290 A N -0.493 122.394 122.820 0.111 0.000 2.589 290 A HA 0.995 5.313 4.320 -0.003 0.000 0.296 290 A C -0.556 177.147 177.584 0.199 0.000 1.062 290 A CA 0.083 52.224 52.037 0.173 0.000 0.686 290 A CB 1.374 20.518 19.000 0.240 0.000 1.282 290 A HN 1.546 nan 8.150 nan 0.000 0.404 291 G N -0.446 108.461 108.800 0.179 0.000 3.086 291 G HA2 0.723 4.681 3.960 -0.003 0.000 0.282 291 G HA3 0.723 4.681 3.960 -0.003 0.000 0.282 291 G C 0.280 175.259 174.900 0.131 0.000 1.343 291 G CA -0.029 45.149 45.100 0.130 0.000 0.895 291 G HN 1.445 nan 8.290 nan 0.000 0.557 292 G N -1.744 107.046 108.800 -0.017 0.000 2.683 292 G HA2 0.374 4.332 3.960 -0.003 0.000 0.260 292 G HA3 0.374 4.332 3.960 -0.003 0.000 0.260 292 G C -0.408 174.447 174.900 -0.077 0.000 1.238 292 G CA -0.355 44.649 45.100 -0.161 0.000 0.934 292 G HN 0.657 nan 8.290 nan 0.000 0.534 293 Y N 0.274 120.445 120.300 -0.214 0.000 2.805 293 Y HA 0.275 4.823 4.550 -0.003 0.000 0.331 293 Y C 0.691 176.549 175.900 -0.071 0.000 1.241 293 Y CA 0.882 58.910 58.100 -0.120 0.000 1.546 293 Y CB 0.493 38.876 38.460 -0.129 0.000 1.248 293 Y HN 0.397 nan 8.280 nan 0.000 0.559 294 S N 6.760 122.155 115.700 -0.509 0.000 2.707 294 S HA 0.311 4.779 4.470 -0.003 0.000 0.303 294 S C 0.725 175.068 174.600 -0.428 0.000 1.132 294 S CA -0.884 57.138 58.200 -0.297 0.000 1.046 294 S CB 1.080 64.185 63.200 -0.159 0.000 1.004 294 S HN 0.976 nan 8.310 nan 0.000 0.483 295 R N 3.517 123.908 120.500 -0.182 0.000 2.073 295 R HA -0.049 4.290 4.340 -0.003 0.000 0.234 295 R C 1.896 178.137 176.300 -0.097 0.000 1.134 295 R CA 2.102 58.149 56.100 -0.089 0.000 0.952 295 R CB -0.604 29.732 30.300 0.060 0.000 0.850 295 R HN 0.597 nan 8.270 nan 0.000 0.433 296 V N 0.836 120.709 119.914 -0.068 0.000 2.427 296 V HA -0.162 3.957 4.120 -0.003 0.000 0.248 296 V C 2.069 178.124 176.094 -0.066 0.000 1.051 296 V CA 1.598 63.869 62.300 -0.049 0.000 1.048 296 V CB -0.208 31.599 31.823 -0.027 0.000 0.666 296 V HN 0.404 nan 8.190 nan 0.000 0.456 297 L N 1.022 122.190 121.223 -0.092 0.000 2.056 297 L HA -0.081 4.257 4.340 -0.003 0.000 0.207 297 L C 2.180 178.989 176.870 -0.102 0.000 1.078 297 L CA 2.125 56.914 54.840 -0.085 0.000 0.749 297 L CB -1.171 40.838 42.059 -0.084 0.000 0.901 297 L HN 0.351 nan 8.230 nan 0.000 0.433 298 N N 0.194 118.798 118.700 -0.162 0.000 2.149 298 N HA -0.140 4.598 4.740 -0.003 0.000 0.188 298 N C 1.812 177.274 175.510 -0.080 0.000 1.019 298 N CA 1.547 54.511 53.050 -0.144 0.000 0.857 298 N CB -0.491 37.858 38.487 -0.230 0.000 0.997 298 N HN 0.527 nan 8.380 nan 0.000 0.426 299 A N 0.476 123.255 122.820 -0.068 0.000 1.930 299 A HA 0.122 4.441 4.320 -0.003 0.000 0.217 299 A C 2.292 179.855 177.584 -0.035 0.000 1.175 299 A CA 1.674 53.688 52.037 -0.037 0.000 0.627 299 A CB -0.737 18.248 19.000 -0.026 0.000 0.815 299 A HN 0.301 nan 8.150 nan 0.000 0.443 300 A N -0.918 121.877 122.820 -0.041 0.000 1.898 300 A HA -0.135 4.184 4.320 -0.003 0.000 0.216 300 A C 2.291 179.850 177.584 -0.041 0.000 1.181 300 A CA 1.579 53.593 52.037 -0.038 0.000 0.620 300 A CB -1.242 17.735 19.000 -0.038 0.000 0.819 300 A HN 0.578 nan 8.150 nan 0.000 0.442 301 C N -1.056 118.217 119.300 -0.044 0.000 2.413 301 C HA -0.144 4.314 4.460 -0.003 0.000 0.276 301 C C 2.853 177.824 174.990 -0.033 0.000 1.236 301 C CA 1.346 60.340 59.018 -0.040 0.000 1.735 301 C CB -1.285 26.431 27.740 -0.041 0.000 2.031 301 C HN 0.772 nan 8.230 nan 0.000 0.474 302 Q N 0.559 120.341 119.800 -0.029 0.000 2.061 302 Q HA -0.263 4.075 4.340 -0.003 0.000 0.204 302 Q C 2.376 178.364 176.000 -0.020 0.000 0.984 302 Q CA 1.815 57.606 55.803 -0.019 0.000 0.846 302 Q CB -0.167 28.563 28.738 -0.014 0.000 0.902 302 Q HN 0.567 nan 8.270 nan 0.000 0.421 303 R N -0.031 120.454 120.500 -0.024 0.000 2.096 303 R HA -0.142 4.197 4.340 -0.003 0.000 0.235 303 R C 2.099 178.380 176.300 -0.032 0.000 1.127 303 R CA 1.193 57.278 56.100 -0.025 0.000 0.968 303 R CB -0.493 29.791 30.300 -0.026 0.000 0.861 303 R HN 0.360 nan 8.270 nan 0.000 0.440 304 L N -0.023 121.177 121.223 -0.039 0.000 2.109 304 L HA 0.160 4.499 4.340 -0.003 0.000 0.207 304 L C 2.041 178.887 176.870 -0.040 0.000 1.086 304 L CA 1.926 56.737 54.840 -0.049 0.000 0.760 304 L CB -0.718 41.303 42.059 -0.063 0.000 0.910 304 L HN 0.258 nan 8.230 nan 0.000 0.437 305 A N -0.320 122.482 122.820 -0.031 0.000 1.902 305 A HA -0.197 4.121 4.320 -0.003 0.000 0.217 305 A C 2.391 179.964 177.584 -0.018 0.000 1.181 305 A CA 1.635 53.659 52.037 -0.022 0.000 0.623 305 A CB -0.510 18.481 19.000 -0.016 0.000 0.818 305 A HN 0.476 nan 8.150 nan 0.000 0.443 306 R N -0.532 119.958 120.500 -0.017 0.000 2.189 306 R HA -0.003 4.335 4.340 -0.003 0.000 0.223 306 R C 2.043 178.333 176.300 -0.016 0.000 1.092 306 R CA 0.901 56.993 56.100 -0.013 0.000 0.989 306 R CB -0.355 29.938 30.300 -0.011 0.000 0.876 306 R HN 0.487 nan 8.270 nan 0.000 0.457 307 A N 0.306 123.112 122.820 -0.023 0.000 2.235 307 A HA 0.166 4.484 4.320 -0.003 0.000 0.208 307 A C 1.331 178.901 177.584 -0.025 0.000 1.172 307 A CA 0.869 52.890 52.037 -0.027 0.000 0.786 307 A CB -0.088 18.889 19.000 -0.038 0.000 0.804 307 A HN 0.445 nan 8.150 nan 0.000 0.479 308 G N -1.825 106.963 108.800 -0.020 0.000 2.130 308 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.216 308 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.216 308 G C -0.031 174.859 174.900 -0.016 0.000 0.999 308 G CA 0.021 45.112 45.100 -0.015 0.000 0.686 308 G HN 0.747 nan 8.290 nan 0.000 0.515 309 V N 0.563 120.462 119.914 -0.024 0.000 2.472 309 V HA 0.616 4.735 4.120 -0.003 0.000 0.290 309 V C 0.791 176.875 176.094 -0.016 0.000 1.037 309 V CA -0.843 61.443 62.300 -0.024 0.000 0.908 309 V CB 1.964 33.757 31.823 -0.049 0.000 0.985 309 V HN 0.214 nan 8.190 nan 0.000 0.454 310 V N 6.110 126.020 119.914 -0.006 0.000 2.432 310 V HA 0.374 4.493 4.120 -0.003 0.000 0.275 310 V C -0.258 175.834 176.094 -0.004 0.000 1.043 310 V CA -0.322 61.976 62.300 -0.004 0.000 0.925 310 V CB 1.284 33.107 31.823 0.000 0.000 0.985 310 V HN 0.544 nan 8.190 nan 0.000 0.466 311 L N 5.899 127.117 121.223 -0.008 0.000 2.341 311 L HA 0.648 4.986 4.340 -0.003 0.000 0.278 311 L C -0.358 176.508 176.870 -0.006 0.000 1.005 311 L CA -0.081 54.754 54.840 -0.008 0.000 0.818 311 L CB 2.076 44.126 42.059 -0.016 0.000 1.259 311 L HN 0.387 nan 8.230 nan 0.000 0.418 312 V N 1.764 121.676 119.914 -0.002 0.000 2.540 312 V HA 0.728 4.846 4.120 -0.003 0.000 0.302 312 V C -0.138 175.955 176.094 -0.001 0.000 1.035 312 V CA -0.446 61.851 62.300 -0.005 0.000 0.873 312 V CB 1.943 33.765 31.823 -0.003 0.000 0.992 312 V HN 0.794 nan 8.190 nan 0.000 0.428 313 T N 2.827 117.377 114.554 -0.007 0.000 2.901 313 T HA 0.761 5.109 4.350 -0.003 0.000 0.293 313 T C -0.292 174.402 174.700 -0.010 0.000 1.084 313 T CA 0.024 62.124 62.100 0.000 0.000 1.008 313 T CB 1.743 70.613 68.868 0.003 0.000 1.170 313 T HN 1.041 nan 8.240 nan 0.000 0.509 314 A N 1.553 124.374 122.820 0.001 0.000 2.440 314 A HA 0.621 4.939 4.320 -0.003 0.000 0.251 314 A C 1.591 179.155 177.584 -0.035 0.000 1.089 314 A CA 0.271 52.299 52.037 -0.014 0.000 0.779 314 A CB -0.119 18.884 19.000 0.005 0.000 1.022 314 A HN 1.181 nan 8.150 nan 0.000 0.492 315 A N 2.154 124.929 122.820 -0.076 0.000 2.019 315 A HA 0.412 4.730 4.320 -0.003 0.000 0.219 315 A C 1.510 179.033 177.584 -0.103 0.000 1.164 315 A CA 1.713 53.693 52.037 -0.096 0.000 0.644 315 A CB -0.916 17.993 19.000 -0.152 0.000 0.805 315 A HN 2.856 nan 8.150 nan 0.000 0.449 316 G N -1.857 106.867 108.800 -0.127 0.000 2.617 316 G HA2 0.003 3.961 3.960 -0.003 0.000 0.686 316 G HA3 0.003 3.961 3.960 -0.003 0.000 0.686 316 G C -0.647 174.037 174.900 -0.360 0.000 1.214 316 G CA -0.205 44.758 45.100 -0.228 0.000 0.796 316 G HN 0.224 nan 8.290 nan 0.000 0.654 317 N N 0.103 118.359 118.700 -0.740 0.000 2.380 317 N HA 0.314 5.052 4.740 -0.003 0.000 0.255 317 N C 0.440 175.557 175.510 -0.655 0.000 1.158 317 N CA -0.136 52.560 53.050 -0.589 0.000 0.878 317 N CB -0.024 38.155 38.487 -0.514 0.000 1.138 317 N HN 0.391 nan 8.380 nan 0.000 0.509 318 F N -0.008 119.843 119.950 -0.165 0.000 2.639 318 F HA 0.334 4.859 4.527 -0.002 0.000 0.302 318 F C 1.095 176.877 175.800 -0.029 0.000 1.097 318 F CA -0.549 57.379 58.000 -0.120 0.000 1.294 318 F CB 0.165 39.016 39.000 -0.248 0.000 1.027 318 F HN -0.083 nan 8.300 nan 0.000 0.550 319 R N 1.980 122.560 120.500 0.134 0.000 3.225 319 R HA -0.238 4.100 4.340 -0.003 0.000 0.245 319 R C -1.086 175.314 176.300 0.168 0.000 0.928 319 R CA 0.643 56.909 56.100 0.277 0.000 0.632 319 R CB -1.358 29.101 30.300 0.266 0.000 1.038 319 R HN 0.388 nan 8.270 nan 0.000 0.461 320 D N -1.092 119.120 120.400 -0.313 0.000 2.664 320 D HA 0.162 4.801 4.640 -0.003 0.000 0.292 320 D C -1.475 174.345 176.300 -0.799 0.000 1.214 320 D CA -0.608 53.196 54.000 -0.326 0.000 0.932 320 D CB 1.238 42.118 40.800 0.135 0.000 1.420 320 D HN 0.132 nan 8.370 nan 0.000 0.471 321 D N 0.213 120.448 120.400 -0.276 0.000 2.371 321 D HA 0.279 4.918 4.640 -0.003 0.000 0.256 321 D C 0.640 176.963 176.300 0.039 0.000 1.193 321 D CA -0.038 53.874 54.000 -0.146 0.000 0.881 321 D CB 1.399 42.237 40.800 0.064 0.000 1.143 321 D HN 0.392 nan 8.370 nan 0.000 0.473 322 A N 3.537 126.342 122.820 -0.025 0.000 2.070 322 A HA -0.158 4.160 4.320 -0.003 0.000 0.220 322 A C 2.293 180.003 177.584 0.209 0.000 1.159 322 A CA 0.754 52.862 52.037 0.118 0.000 0.656 322 A CB -0.493 18.501 19.000 -0.011 0.000 0.800 322 A HN 0.783 nan 8.150 nan 0.000 0.453 323 c N -0.561 118.119 118.600 0.132 0.000 2.449 323 c HA 0.046 4.615 4.570 -0.003 0.000 0.283 323 c C 1.965 176.131 174.090 0.127 0.000 1.453 323 c CA 0.420 56.828 56.329 0.132 0.000 1.779 323 c CB -1.542 41.023 42.510 0.092 0.000 1.779 323 c HN 0.597 nan 8.230 nan 0.000 0.546 324 L N -1.421 119.832 121.223 0.050 0.000 2.611 324 L HA 0.196 4.534 4.340 -0.003 0.000 0.229 324 L C -0.248 176.288 176.870 -0.556 0.000 1.137 324 L CA 0.437 55.133 54.840 -0.241 0.000 0.901 324 L CB -0.397 41.433 42.059 -0.381 0.000 1.098 324 L HN 0.377 nan 8.230 nan 0.000 0.456 325 Y N -1.577 118.772 120.300 0.082 0.000 2.545 325 Y HA 0.484 5.032 4.550 -0.002 0.000 0.348 325 Y C 0.159 176.066 175.900 0.013 0.000 1.002 325 Y CA -0.769 57.353 58.100 0.036 0.000 1.039 325 Y CB 2.084 40.568 38.460 0.040 0.000 1.271 325 Y HN -0.258 nan 8.280 nan 0.000 0.467 326 S N 1.857 117.624 115.700 0.112 0.000 2.568 326 S HA 0.343 4.811 4.470 -0.003 0.000 0.293 326 S C -2.348 172.279 174.600 0.045 0.000 1.089 326 S CA -1.380 56.821 58.200 0.003 0.000 0.945 326 S CB 1.995 65.105 63.200 -0.150 0.000 1.077 326 S HN 0.436 nan 8.310 nan 0.000 0.485 327 P HA 0.096 nan 4.420 nan 0.000 0.242 327 P C 1.054 178.358 177.300 0.006 0.000 1.197 327 P CA 0.307 63.398 63.100 -0.014 0.000 0.765 327 P CB -0.229 31.462 31.700 -0.013 0.000 0.936 328 A N 1.589 124.437 122.820 0.048 0.000 1.915 328 A HA -0.270 4.048 4.320 -0.003 0.000 0.220 328 A C 2.361 179.973 177.584 0.047 0.000 1.198 328 A CA 2.813 54.880 52.037 0.049 0.000 0.647 328 A CB -1.652 17.402 19.000 0.091 0.000 0.825 328 A HN 0.418 nan 8.150 nan 0.000 0.456 329 S N -0.485 115.256 115.700 0.069 0.000 2.561 329 S HA 0.424 4.893 4.470 -0.003 0.000 0.225 329 S C 0.911 175.546 174.600 0.058 0.000 0.977 329 S CA 0.410 58.666 58.200 0.094 0.000 0.926 329 S CB -0.680 62.637 63.200 0.195 0.000 0.769 329 S HN 1.059 nan 8.310 nan 0.000 0.533 330 A N 3.016 125.839 122.820 0.005 0.000 2.444 330 A HA 0.513 4.831 4.320 -0.003 0.000 0.273 330 A C -1.122 176.471 177.584 0.015 0.000 1.136 330 A CA -1.447 50.588 52.037 -0.004 0.000 0.799 330 A CB 0.179 19.159 19.000 -0.034 0.000 1.081 330 A HN 0.278 nan 8.150 nan 0.000 0.509 331 P HA -0.118 nan 4.420 nan 0.000 0.218 331 P C 0.918 178.229 177.300 0.017 0.000 1.149 331 P CA 0.996 64.115 63.100 0.031 0.000 0.817 331 P CB 0.286 32.011 31.700 0.042 0.000 0.785 332 E N -0.666 119.539 120.200 0.009 0.000 2.482 332 E HA 0.025 4.374 4.350 -0.003 0.000 0.196 332 E C 0.344 176.942 176.600 -0.004 0.000 1.047 332 E CA 0.385 56.786 56.400 0.002 0.000 0.869 332 E CB -0.006 29.693 29.700 -0.002 0.000 0.836 332 E HN 0.158 nan 8.360 nan 0.000 0.520 333 V N 2.018 121.929 119.914 -0.006 0.000 2.481 333 V HA 0.187 4.306 4.120 -0.003 0.000 0.286 333 V C 0.472 176.559 176.094 -0.011 0.000 1.042 333 V CA -0.523 61.771 62.300 -0.010 0.000 0.928 333 V CB 1.433 33.248 31.823 -0.012 0.000 0.986 333 V HN 0.004 nan 8.190 nan 0.000 0.462 334 I N 4.037 124.598 120.570 -0.014 0.000 2.421 334 I HA 0.163 4.331 4.170 -0.003 0.000 0.291 334 I C 0.494 176.591 176.117 -0.033 0.000 1.089 334 I CA 0.567 61.854 61.300 -0.021 0.000 1.354 334 I CB 0.495 38.485 38.000 -0.018 0.000 1.413 334 I HN 0.588 nan 8.210 nan 0.000 0.513 335 T N 6.279 120.803 114.554 -0.049 0.000 2.767 335 T HA 0.479 4.827 4.350 -0.003 0.000 0.284 335 T C -0.131 174.490 174.700 -0.132 0.000 0.973 335 T CA -0.476 61.581 62.100 -0.072 0.000 0.996 335 T CB 1.419 70.248 68.868 -0.064 0.000 0.927 335 T HN 0.188 nan 8.240 nan 0.000 0.456 336 V N 2.932 122.763 119.914 -0.137 0.000 2.444 336 V HA 0.701 4.820 4.120 -0.003 0.000 0.294 336 V C 0.771 176.719 176.094 -0.242 0.000 1.022 336 V CA -0.880 61.309 62.300 -0.185 0.000 0.850 336 V CB 1.604 33.373 31.823 -0.089 0.000 0.992 336 V HN 1.008 nan 8.190 nan 0.000 0.426 337 G N 2.779 111.280 108.800 -0.498 0.000 2.522 337 G HA2 0.712 4.671 3.960 -0.003 0.000 0.304 337 G HA3 0.712 4.671 3.960 -0.003 0.000 0.304 337 G C -0.460 174.443 174.900 0.005 0.000 1.210 337 G CA -0.220 44.629 45.100 -0.418 0.000 0.960 337 G HN 1.116 nan 8.290 nan 0.000 0.497 338 A N 0.042 123.012 122.820 0.250 0.000 2.331 338 A HA 0.809 5.127 4.320 -0.003 0.000 0.320 338 A C 0.241 177.947 177.584 0.203 0.000 1.138 338 A CA -0.303 51.846 52.037 0.187 0.000 0.790 338 A CB 1.170 20.225 19.000 0.091 0.000 1.206 338 A HN 1.233 nan 8.150 nan 0.000 0.470 339 T N -0.041 114.599 114.554 0.142 0.000 2.924 339 T HA 0.672 5.020 4.350 -0.003 0.000 0.291 339 T C -0.067 174.686 174.700 0.089 0.000 1.045 339 T CA -0.873 61.233 62.100 0.009 0.000 1.015 339 T CB 1.369 70.225 68.868 -0.020 0.000 1.103 339 T HN 0.783 nan 8.240 nan 0.000 0.496 340 N N 0.280 118.944 118.700 -0.060 0.000 2.643 340 N HA 0.521 5.259 4.740 -0.003 0.000 0.305 340 N C 1.446 176.627 175.510 -0.549 0.000 1.283 340 N CA -0.534 52.413 53.050 -0.173 0.000 0.946 340 N CB 0.002 38.348 38.487 -0.235 0.000 1.149 340 N HN 0.738 nan 8.380 nan 0.000 0.600 341 A N -1.164 120.925 122.820 -1.218 0.000 2.076 341 A HA -0.153 4.166 4.320 -0.003 0.000 0.220 341 A C 1.328 178.564 177.584 -0.581 0.000 1.160 341 A CA 1.334 52.499 52.037 -1.454 0.000 0.653 341 A CB -0.717 17.447 19.000 -1.393 0.000 0.801 341 A HN 0.675 nan 8.150 nan 0.000 0.455 342 Q N -0.198 119.361 119.800 -0.401 0.000 2.247 342 Q HA 0.142 4.480 4.340 -0.003 0.000 0.205 342 Q C -0.404 175.483 176.000 -0.189 0.000 0.896 342 Q CA 0.284 55.941 55.803 -0.242 0.000 0.950 342 Q CB 0.220 28.834 28.738 -0.207 0.000 1.054 342 Q HN 0.505 nan 8.270 nan 0.000 0.482 343 D N 0.014 120.308 120.400 -0.177 0.000 2.911 343 D HA -0.162 4.477 4.640 -0.003 0.000 0.227 343 D C -0.548 175.620 176.300 -0.221 0.000 1.164 343 D CA 0.896 54.817 54.000 -0.131 0.000 0.782 343 D CB -0.392 40.360 40.800 -0.081 0.000 1.094 343 D HN 0.269 nan 8.370 nan 0.000 0.425 344 Q N -0.532 119.100 119.800 -0.280 0.000 2.226 344 Q HA 0.495 4.834 4.340 -0.003 0.000 0.256 344 Q C -2.265 173.394 176.000 -0.568 0.000 0.962 344 Q CA -1.869 53.683 55.803 -0.417 0.000 0.887 344 Q CB 0.740 29.267 28.738 -0.352 0.000 1.282 344 Q HN 0.016 nan 8.270 nan 0.000 0.449 345 P HA 0.004 nan 4.420 nan 0.000 0.268 345 P C -0.429 176.320 177.300 -0.919 0.000 1.204 345 P CA -0.074 62.354 63.100 -1.120 0.000 0.768 345 P CB 0.404 30.956 31.700 -1.915 0.000 0.842 346 V N 4.169 123.831 119.914 -0.420 0.000 2.508 346 V HA 0.076 4.194 4.120 -0.003 0.000 0.281 346 V C 0.782 176.911 176.094 0.058 0.000 1.041 346 V CA 0.415 62.631 62.300 -0.141 0.000 1.016 346 V CB 0.196 32.005 31.823 -0.023 0.000 0.984 346 V HN 0.542 nan 8.190 nan 0.000 0.478 347 T N 7.358 122.015 114.554 0.172 0.000 2.856 347 T HA 0.582 4.931 4.350 -0.003 0.000 0.292 347 T C -0.171 174.612 174.700 0.138 0.000 0.980 347 T CA -0.163 62.105 62.100 0.279 0.000 1.091 347 T CB 0.456 69.476 68.868 0.254 0.000 0.936 347 T HN 0.412 nan 8.240 nan 0.000 0.503 348 L N 3.475 124.771 121.223 0.121 0.000 2.454 348 L HA 0.497 4.836 4.340 -0.003 0.000 0.258 348 L C 1.159 178.056 176.870 0.044 0.000 1.025 348 L CA -0.626 54.247 54.840 0.056 0.000 0.901 348 L CB 0.638 42.708 42.059 0.019 0.000 1.210 348 L HN 0.986 nan 8.230 nan 0.000 0.457 349 G N 2.251 111.075 108.800 0.040 0.000 2.596 349 G HA2 -0.421 3.538 3.960 -0.003 0.000 0.304 349 G HA3 -0.421 3.538 3.960 -0.003 0.000 0.304 349 G C 0.809 175.734 174.900 0.042 0.000 1.189 349 G CA 0.769 45.889 45.100 0.034 0.000 0.986 349 G HN 0.617 nan 8.290 nan 0.000 0.548 350 T N -0.270 114.307 114.554 0.038 0.000 3.129 350 T HA 0.616 4.964 4.350 -0.003 0.000 0.251 350 T C 1.571 176.300 174.700 0.048 0.000 1.117 350 T CA 1.247 63.368 62.100 0.035 0.000 1.034 350 T CB 0.041 68.928 68.868 0.031 0.000 0.968 350 T HN 0.536 nan 8.240 nan 0.000 0.526 351 L N -0.320 120.943 121.223 0.065 0.000 2.808 351 L HA 0.840 5.179 4.340 -0.003 0.000 0.222 351 L C 0.944 177.905 176.870 0.152 0.000 2.023 351 L CA -0.760 54.135 54.840 0.092 0.000 2.647 351 L CB 0.472 42.577 42.059 0.077 0.000 2.689 351 L HN 0.418 nan 8.230 nan 0.000 0.616 352 G N -0.803 108.091 108.800 0.158 0.000 2.359 352 G HA2 0.100 4.059 3.960 -0.003 0.000 0.293 352 G HA3 0.100 4.059 3.960 -0.003 0.000 0.293 352 G C -1.120 173.932 174.900 0.255 0.000 1.300 352 G CA -0.333 44.937 45.100 0.283 0.000 0.888 352 G HN 0.374 nan 8.290 nan 0.000 0.541 353 T N 0.732 115.467 114.554 0.301 0.000 2.934 353 T HA 0.294 4.642 4.350 -0.003 0.000 0.306 353 T C 0.946 175.849 174.700 0.338 0.000 1.042 353 T CA 0.203 62.447 62.100 0.239 0.000 1.145 353 T CB -0.315 68.708 68.868 0.258 0.000 0.982 353 T HN 0.538 nan 8.240 nan 0.000 0.544 354 N N 2.611 121.350 118.700 0.066 0.000 2.288 354 N HA 0.504 5.242 4.740 -0.003 0.000 0.237 354 N C -0.231 175.287 175.510 0.014 0.000 1.311 354 N CA -0.065 52.885 53.050 -0.168 0.000 0.909 354 N CB 0.194 38.525 38.487 -0.261 0.000 1.167 354 N HN 0.692 nan 8.380 nan 0.000 0.476 355 F N -3.767 116.264 119.950 0.135 0.000 3.129 355 F HA 0.793 5.318 4.527 -0.003 0.000 0.326 355 F C 0.528 176.273 175.800 -0.092 0.000 1.202 355 F CA -0.639 57.359 58.000 -0.003 0.000 0.929 355 F CB 0.482 39.392 39.000 -0.150 0.000 1.473 355 F HN 0.671 nan 8.300 nan 0.000 0.512 356 G N 0.709 109.592 108.800 0.139 0.000 2.610 356 G HA2 -0.081 3.877 3.960 -0.003 0.000 0.304 356 G HA3 -0.081 3.877 3.960 -0.003 0.000 0.304 356 G C -0.013 174.833 174.900 -0.089 0.000 1.309 356 G CA -0.191 44.922 45.100 0.023 0.000 0.906 356 G HN 1.331 nan 8.290 nan 0.000 0.521 357 R N -1.392 119.043 120.500 -0.110 0.000 2.276 357 R HA 0.186 4.524 4.340 -0.003 0.000 0.203 357 R C 2.049 178.330 176.300 -0.031 0.000 1.017 357 R CA 1.782 57.808 56.100 -0.123 0.000 1.010 357 R CB -0.552 29.672 30.300 -0.126 0.000 0.900 357 R HN 0.445 nan 8.270 nan 0.000 0.469 358 c N 1.021 119.617 118.600 -0.008 0.000 2.562 358 c HA 0.237 4.805 4.570 -0.003 0.000 0.266 358 c C 0.721 174.787 174.090 -0.040 0.000 1.382 358 c CA -0.539 55.794 56.329 0.006 0.000 1.742 358 c CB -0.529 42.007 42.510 0.043 0.000 1.812 358 c HN 0.195 nan 8.230 nan 0.000 0.559 359 V N 2.116 121.978 119.914 -0.088 0.000 2.461 359 V HA 0.120 4.238 4.120 -0.003 0.000 0.275 359 V C 0.727 176.738 176.094 -0.140 0.000 1.047 359 V CA 0.419 62.615 62.300 -0.173 0.000 0.955 359 V CB 1.132 32.766 31.823 -0.315 0.000 0.988 359 V HN 0.396 nan 8.190 nan 0.000 0.471 360 D N 3.567 123.889 120.400 -0.131 0.000 2.162 360 D HA 0.159 4.797 4.640 -0.003 0.000 0.205 360 D C 0.385 176.646 176.300 -0.064 0.000 0.964 360 D CA 1.129 55.087 54.000 -0.070 0.000 0.847 360 D CB 0.693 41.464 40.800 -0.049 0.000 0.988 360 D HN 0.558 nan 8.370 nan 0.000 0.480 361 L N -4.013 117.124 121.223 -0.143 0.000 2.999 361 L HA 0.480 4.819 4.340 -0.003 0.000 0.274 361 L C -1.541 175.177 176.870 -0.253 0.000 1.044 361 L CA -1.007 53.793 54.840 -0.066 0.000 0.943 361 L CB 1.245 43.317 42.059 0.022 0.000 1.522 361 L HN -0.322 nan 8.230 nan 0.000 0.400 362 F N 0.534 120.491 119.950 0.012 0.000 2.497 362 F HA 0.945 5.470 4.527 -0.003 0.000 0.331 362 F C 0.609 176.400 175.800 -0.014 0.000 1.060 362 F CA -0.035 57.968 58.000 0.005 0.000 0.989 362 F CB 2.078 41.086 39.000 0.015 0.000 1.245 362 F HN 0.845 nan 8.300 nan 0.000 0.486 363 A N 1.095 123.994 122.820 0.132 0.000 2.609 363 A HA 0.726 5.045 4.320 -0.003 0.000 0.291 363 A C -3.017 174.508 177.584 -0.098 0.000 1.096 363 A CA -1.978 50.053 52.037 -0.010 0.000 0.684 363 A CB 1.255 20.232 19.000 -0.039 0.000 1.282 363 A HN 0.393 nan 8.150 nan 0.000 0.412 364 P HA 0.226 nan 4.420 nan 0.000 0.260 364 P C 0.641 177.763 177.300 -0.296 0.000 1.185 364 P CA 1.200 64.069 63.100 -0.385 0.000 0.763 364 P CB 0.540 31.608 31.700 -1.054 0.000 0.776 365 G N 2.339 111.167 108.800 0.046 0.000 4.908 365 G HA2 0.109 4.067 3.960 -0.003 0.000 0.267 365 G HA3 0.109 4.067 3.960 -0.003 0.000 0.267 365 G C -0.418 174.571 174.900 0.148 0.000 0.958 365 G CA -0.013 45.139 45.100 0.086 0.000 0.743 365 G HN 0.466 nan 8.290 nan 0.000 0.410 366 E N 0.862 121.223 120.200 0.268 0.000 2.272 366 E HA 0.434 4.782 4.350 -0.003 0.000 0.269 366 E C -0.681 176.134 176.600 0.359 0.000 0.877 366 E CA -0.659 55.876 56.400 0.225 0.000 0.755 366 E CB 1.466 31.238 29.700 0.119 0.000 1.192 366 E HN 0.000 nan 8.360 nan 0.000 0.422 367 D N 3.496 124.040 120.400 0.239 0.000 2.705 367 D HA -0.148 4.490 4.640 -0.003 0.000 0.240 367 D C -1.126 175.393 176.300 0.365 0.000 1.137 367 D CA 0.501 54.664 54.000 0.272 0.000 0.677 367 D CB -0.723 40.226 40.800 0.248 0.000 1.049 367 D HN 0.310 nan 8.370 nan 0.000 0.427 368 I N 1.834 122.565 120.570 0.268 0.000 2.307 368 I HA 0.331 4.500 4.170 -0.003 0.000 0.289 368 I C 1.020 177.313 176.117 0.293 0.000 1.021 368 I CA -0.958 60.478 61.300 0.227 0.000 1.224 368 I CB 0.711 38.872 38.000 0.268 0.000 1.376 368 I HN 0.159 nan 8.210 nan 0.000 0.470 369 I N 5.896 126.578 120.570 0.188 0.000 2.474 369 I HA 0.605 4.774 4.170 -0.003 0.000 0.287 369 I C 0.566 176.778 176.117 0.158 0.000 1.048 369 I CA 0.816 62.254 61.300 0.229 0.000 1.383 369 I CB 1.058 39.134 38.000 0.127 0.000 1.412 369 I HN 0.697 nan 8.210 nan 0.000 0.531 370 G N 4.747 113.669 108.800 0.204 0.000 2.550 370 G HA2 0.612 4.570 3.960 -0.003 0.000 0.293 370 G HA3 0.612 4.570 3.960 -0.003 0.000 0.293 370 G C -1.340 173.471 174.900 -0.148 0.000 1.402 370 G CA -0.402 44.620 45.100 -0.131 0.000 0.784 370 G HN 0.831 nan 8.290 nan 0.000 0.482 371 A N -0.015 122.497 122.820 -0.514 0.000 2.584 371 A HA 0.463 4.782 4.320 -0.003 0.000 0.239 371 A C 0.835 178.099 177.584 -0.533 0.000 1.043 371 A CA 1.316 52.800 52.037 -0.921 0.000 0.756 371 A CB 0.017 18.343 19.000 -1.123 0.000 0.963 371 A HN 1.735 nan 8.150 nan 0.000 0.511 372 S N 1.283 116.720 115.700 -0.438 0.000 2.437 372 S HA 0.403 4.872 4.470 -0.003 0.000 0.305 372 S C 1.138 175.703 174.600 -0.057 0.000 1.109 372 S CA -0.060 58.073 58.200 -0.112 0.000 1.099 372 S CB 0.841 64.055 63.200 0.022 0.000 1.004 372 S HN 1.438 nan 8.310 nan 0.000 0.475 373 S N 3.277 118.958 115.700 -0.032 0.000 2.660 373 S HA 0.000 4.469 4.470 -0.003 0.000 0.223 373 S C 0.781 175.409 174.600 0.048 0.000 0.963 373 S CA 0.209 58.425 58.200 0.026 0.000 0.932 373 S CB -0.246 62.957 63.200 0.005 0.000 0.775 373 S HN 0.735 nan 8.310 nan 0.000 0.531 374 D N 1.643 122.071 120.400 0.047 0.000 2.117 374 D HA -0.004 4.634 4.640 -0.003 0.000 0.197 374 D C 1.196 177.519 176.300 0.039 0.000 0.987 374 D CA 1.328 55.353 54.000 0.041 0.000 0.829 374 D CB -0.180 40.646 40.800 0.043 0.000 0.961 374 D HN 0.717 nan 8.370 nan 0.000 0.460 375 C N -1.688 117.644 119.300 0.053 0.000 3.285 375 C HA 0.505 4.963 4.460 -0.003 0.000 0.325 375 C C 1.647 176.599 174.990 -0.063 0.000 1.304 375 C CA -0.119 58.903 59.018 0.005 0.000 1.319 375 C CB 1.232 28.970 27.740 -0.004 0.000 1.640 375 C HN 0.157 nan 8.230 nan 0.000 0.477 376 S N 0.290 115.885 115.700 -0.175 0.000 2.547 376 S HA -0.049 4.419 4.470 -0.003 0.000 0.235 376 S C 0.974 175.051 174.600 -0.871 0.000 0.980 376 S CA 1.638 59.571 58.200 -0.446 0.000 0.941 376 S CB -0.818 62.234 63.200 -0.245 0.000 0.763 376 S HN 1.686 nan 8.310 nan 0.000 0.532 377 T N -2.632 111.641 114.554 -0.467 0.000 3.111 377 T HA 0.415 4.763 4.350 -0.003 0.000 0.284 377 T C 0.426 175.095 174.700 -0.052 0.000 0.983 377 T CA -0.422 61.496 62.100 -0.303 0.000 0.900 377 T CB -0.897 67.914 68.868 -0.095 0.000 1.132 377 T HN 0.327 nan 8.240 nan 0.000 0.531 378 C N 1.565 120.859 119.300 -0.011 0.000 2.520 378 C HA 0.772 5.230 4.460 -0.003 0.000 0.376 378 C C -0.234 174.781 174.990 0.040 0.000 1.268 378 C CA -0.578 58.520 59.018 0.133 0.000 2.414 378 C CB -0.461 27.344 27.740 0.107 0.000 2.521 378 C HN 0.544 nan 8.230 nan 0.000 0.618 379 F N 0.269 120.297 119.950 0.128 0.000 2.588 379 F HA 0.711 5.237 4.527 -0.002 0.000 0.314 379 F C 0.008 175.864 175.800 0.093 0.000 1.069 379 F CA -0.630 57.430 58.000 0.101 0.000 0.931 379 F CB 1.623 40.669 39.000 0.076 0.000 1.260 379 F HN 0.326 nan 8.300 nan 0.000 0.465 380 V N 1.235 121.325 119.914 0.292 0.000 2.932 380 V HA 0.550 4.669 4.120 -0.003 0.000 0.307 380 V C -1.095 175.143 176.094 0.240 0.000 1.147 380 V CA -0.413 62.008 62.300 0.202 0.000 0.951 380 V CB 2.375 34.266 31.823 0.113 0.000 1.031 380 V HN 0.728 nan 8.190 nan 0.000 0.426 381 S N 5.304 121.097 115.700 0.154 0.000 2.499 381 S HA 0.621 5.090 4.470 -0.003 0.000 0.279 381 S C -0.600 173.993 174.600 -0.012 0.000 1.219 381 S CA -0.472 57.813 58.200 0.142 0.000 1.062 381 S CB 1.071 64.352 63.200 0.136 0.000 0.978 381 S HN 0.754 nan 8.310 nan 0.000 0.489 382 Q N 1.088 120.816 119.800 -0.120 0.000 2.451 382 Q HA 0.613 4.952 4.340 -0.003 0.000 0.281 382 Q C -1.203 174.768 176.000 -0.049 0.000 1.099 382 Q CA -0.760 54.906 55.803 -0.230 0.000 0.806 382 Q CB 2.321 30.655 28.738 -0.673 0.000 1.419 382 Q HN 0.581 nan 8.270 nan 0.000 0.427 383 S N -0.454 115.233 115.700 -0.021 0.000 2.542 383 S HA 0.964 5.433 4.470 -0.003 0.000 0.293 383 S C -0.691 173.924 174.600 0.026 0.000 1.089 383 S CA -0.516 57.706 58.200 0.037 0.000 0.961 383 S CB 1.960 65.186 63.200 0.043 0.000 1.062 383 S HN 0.869 nan 8.310 nan 0.000 0.483 384 G N 0.392 109.218 108.800 0.043 0.000 2.350 384 G HA2 0.279 4.238 3.960 -0.003 0.000 0.305 384 G HA3 0.279 4.238 3.960 -0.003 0.000 0.305 384 G C 0.306 175.226 174.900 0.033 0.000 1.479 384 G CA -0.022 45.092 45.100 0.024 0.000 0.949 384 G HN 0.737 nan 8.290 nan 0.000 0.651 385 T N -1.790 112.766 114.554 0.003 0.000 2.995 385 T HA 0.003 4.352 4.350 -0.003 0.000 0.269 385 T C 2.336 177.050 174.700 0.023 0.000 1.091 385 T CA 2.252 64.353 62.100 0.002 0.000 1.128 385 T CB -0.141 68.703 68.868 -0.041 0.000 0.891 385 T HN 0.514 nan 8.240 nan 0.000 0.492 386 S N 1.926 117.657 115.700 0.053 0.000 2.359 386 S HA -0.170 4.299 4.470 -0.003 0.000 0.224 386 S C 2.206 176.838 174.600 0.054 0.000 1.035 386 S CA 1.427 59.671 58.200 0.074 0.000 1.018 386 S CB -0.443 62.854 63.200 0.161 0.000 0.876 386 S HN 0.480 nan 8.310 nan 0.000 0.448 387 Q N 1.235 121.082 119.800 0.079 0.000 2.084 387 Q HA 0.071 4.409 4.340 -0.003 0.000 0.202 387 Q C 2.410 178.537 176.000 0.212 0.000 0.978 387 Q CA 1.542 57.428 55.803 0.139 0.000 0.844 387 Q CB -0.717 28.126 28.738 0.175 0.000 0.898 387 Q HN 0.560 nan 8.270 nan 0.000 0.426 388 A N 0.560 123.452 122.820 0.120 0.000 1.883 388 A HA -0.180 4.139 4.320 -0.003 0.000 0.217 388 A C 2.269 179.909 177.584 0.093 0.000 1.186 388 A CA 1.985 54.066 52.037 0.073 0.000 0.624 388 A CB -1.159 17.854 19.000 0.022 0.000 0.822 388 A HN 0.402 nan 8.150 nan 0.000 0.444 389 A N -0.329 122.522 122.820 0.052 0.000 1.933 389 A HA 0.150 4.469 4.320 -0.003 0.000 0.218 389 A C 2.475 180.079 177.584 0.033 0.000 1.175 389 A CA 2.094 54.147 52.037 0.027 0.000 0.628 389 A CB -0.954 18.053 19.000 0.012 0.000 0.814 389 A HN 1.114 nan 8.150 nan 0.000 0.444 390 A N -0.840 122.001 122.820 0.035 0.000 1.933 390 A HA -0.152 4.167 4.320 -0.003 0.000 0.218 390 A C 1.910 179.449 177.584 -0.075 0.000 1.175 390 A CA 1.909 53.924 52.037 -0.037 0.000 0.628 390 A CB -0.843 18.107 19.000 -0.084 0.000 0.814 390 A HN 0.656 nan 8.150 nan 0.000 0.444 391 H N -0.988 118.041 119.070 -0.068 0.000 2.353 391 H HA -0.068 4.486 4.556 -0.003 0.000 0.300 391 H C 2.048 177.338 175.328 -0.062 0.000 1.090 391 H CA 1.813 57.813 56.048 -0.080 0.000 1.327 391 H CB -0.138 29.570 29.762 -0.090 0.000 1.383 391 H HN 0.254 nan 8.280 nan 0.000 0.508 392 V N 0.328 120.293 119.914 0.084 0.000 2.453 392 V HA -0.183 3.935 4.120 -0.003 0.000 0.247 392 V C 2.514 178.610 176.094 0.004 0.000 1.048 392 V CA 1.331 63.651 62.300 0.034 0.000 1.049 392 V CB -0.886 30.949 31.823 0.020 0.000 0.672 392 V HN 0.565 nan 8.190 nan 0.000 0.457 393 A N 0.787 123.603 122.820 -0.008 0.000 1.883 393 A HA -0.134 4.185 4.320 -0.003 0.000 0.217 393 A C 2.435 179.997 177.584 -0.036 0.000 1.186 393 A CA 2.087 54.112 52.037 -0.020 0.000 0.624 393 A CB -1.297 17.689 19.000 -0.024 0.000 0.822 393 A HN 0.512 nan 8.150 nan 0.000 0.444 394 G N 0.011 108.774 108.800 -0.063 0.000 2.446 394 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.217 394 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.217 394 G C 1.532 176.397 174.900 -0.059 0.000 1.168 394 G CA 1.182 46.233 45.100 -0.081 0.000 0.771 394 G HN 0.490 nan 8.290 nan 0.000 0.551 395 I N 1.370 121.916 120.570 -0.040 0.000 2.226 395 I HA -0.181 3.988 4.170 -0.003 0.000 0.245 395 I C 3.279 179.383 176.117 -0.023 0.000 1.100 395 I CA 0.949 62.231 61.300 -0.030 0.000 1.374 395 I CB -0.204 37.792 38.000 -0.007 0.000 1.057 395 I HN 0.256 nan 8.210 nan 0.000 0.413 396 A N 0.748 123.559 122.820 -0.015 0.000 1.902 396 A HA -0.139 4.179 4.320 -0.003 0.000 0.217 396 A C 2.558 180.133 177.584 -0.015 0.000 1.181 396 A CA 1.765 53.796 52.037 -0.010 0.000 0.623 396 A CB -0.805 18.192 19.000 -0.006 0.000 0.818 396 A HN 0.421 nan 8.150 nan 0.000 0.443 397 A N -0.648 122.159 122.820 -0.022 0.000 1.902 397 A HA -0.131 4.187 4.320 -0.003 0.000 0.217 397 A C 2.224 179.792 177.584 -0.028 0.000 1.181 397 A CA 1.912 53.935 52.037 -0.023 0.000 0.623 397 A CB -0.490 18.491 19.000 -0.032 0.000 0.818 397 A HN 0.469 nan 8.150 nan 0.000 0.443 398 M N -1.273 118.305 119.600 -0.037 0.000 2.132 398 M HA -0.068 4.410 4.480 -0.003 0.000 0.263 398 M C 2.355 178.633 176.300 -0.037 0.000 1.065 398 M CA 1.454 56.729 55.300 -0.042 0.000 1.122 398 M CB -0.980 31.586 32.600 -0.056 0.000 1.365 398 M HN 0.447 nan 8.290 nan 0.000 0.411 399 M N -0.079 119.502 119.600 -0.032 0.000 2.159 399 M HA -0.171 4.307 4.480 -0.003 0.000 0.263 399 M C 2.097 178.391 176.300 -0.009 0.000 1.063 399 M CA 1.401 56.687 55.300 -0.023 0.000 1.110 399 M CB -0.361 32.235 32.600 -0.007 0.000 1.374 399 M HN 0.204 nan 8.290 nan 0.000 0.411 400 L N -1.079 120.139 121.223 -0.008 0.000 2.240 400 L HA -0.091 4.247 4.340 -0.003 0.000 0.211 400 L C 2.418 179.286 176.870 -0.002 0.000 1.106 400 L CA 0.563 55.402 54.840 -0.002 0.000 0.793 400 L CB -0.385 41.674 42.059 -0.001 0.000 0.927 400 L HN 0.217 nan 8.230 nan 0.000 0.446 401 S N 0.156 115.851 115.700 -0.009 0.000 2.383 401 S HA -0.109 4.359 4.470 -0.003 0.000 0.227 401 S C 2.164 176.761 174.600 -0.006 0.000 1.026 401 S CA 1.153 59.348 58.200 -0.009 0.000 0.981 401 S CB -0.138 63.052 63.200 -0.016 0.000 0.818 401 S HN 0.496 nan 8.310 nan 0.000 0.472 402 A N 1.079 123.895 122.820 -0.008 0.000 1.930 402 A HA 0.077 4.395 4.320 -0.003 0.000 0.215 402 A C 0.916 178.506 177.584 0.011 0.000 1.176 402 A CA 0.622 52.657 52.037 -0.004 0.000 0.632 402 A CB 0.050 19.040 19.000 -0.016 0.000 0.819 402 A HN 0.462 nan 8.150 nan 0.000 0.445 403 E N -0.807 119.401 120.200 0.014 0.000 3.132 403 E HA 0.190 4.538 4.350 -0.003 0.000 0.241 403 E C -2.331 174.281 176.600 0.020 0.000 1.196 403 E CA -1.651 54.764 56.400 0.026 0.000 0.869 403 E CB 1.303 31.027 29.700 0.040 0.000 1.387 403 E HN 0.216 nan 8.360 nan 0.000 0.393 404 P HA -0.151 nan 4.420 nan 0.000 0.222 404 P C 0.559 177.869 177.300 0.015 0.000 1.147 404 P CA 1.012 64.120 63.100 0.013 0.000 0.790 404 P CB 0.295 32.002 31.700 0.011 0.000 0.780 405 E N -0.826 119.387 120.200 0.021 0.000 2.502 405 E HA 0.056 4.405 4.350 -0.003 0.000 0.194 405 E C 0.258 176.872 176.600 0.024 0.000 1.062 405 E CA -0.269 56.144 56.400 0.023 0.000 0.867 405 E CB -0.267 29.450 29.700 0.028 0.000 0.888 405 E HN 0.300 nan 8.360 nan 0.000 0.510 406 L N 2.654 123.890 121.223 0.021 0.000 2.578 406 L HA -0.026 4.312 4.340 -0.003 0.000 0.279 406 L C 1.093 177.969 176.870 0.010 0.000 1.227 406 L CA 0.059 54.908 54.840 0.016 0.000 0.900 406 L CB -0.117 41.946 42.059 0.006 0.000 1.144 406 L HN 0.127 nan 8.230 nan 0.000 0.496 407 T N 0.196 114.756 114.554 0.011 0.000 2.813 407 T HA 0.096 4.444 4.350 -0.003 0.000 0.297 407 T C 1.042 175.740 174.700 -0.003 0.000 1.036 407 T CA -0.810 61.294 62.100 0.007 0.000 1.044 407 T CB 1.103 69.980 68.868 0.014 0.000 0.993 407 T HN 0.492 nan 8.240 nan 0.000 0.535 408 L N 1.686 122.907 121.223 -0.003 0.000 2.081 408 L HA -0.006 4.332 4.340 -0.003 0.000 0.212 408 L C 2.667 179.528 176.870 -0.015 0.000 1.080 408 L CA 2.449 57.284 54.840 -0.008 0.000 0.754 408 L CB -1.457 40.599 42.059 -0.005 0.000 0.893 408 L HN 0.938 nan 8.230 nan 0.000 0.433 409 A N -1.147 121.667 122.820 -0.010 0.000 1.929 409 A HA -0.165 4.154 4.320 -0.003 0.000 0.216 409 A C 2.155 179.713 177.584 -0.044 0.000 1.176 409 A CA 1.486 53.515 52.037 -0.013 0.000 0.628 409 A CB -0.514 18.490 19.000 0.006 0.000 0.816 409 A HN 0.604 nan 8.150 nan 0.000 0.444 410 E N -0.746 119.427 120.200 -0.044 0.000 2.106 410 E HA -0.147 4.202 4.350 -0.003 0.000 0.192 410 E C 1.899 178.415 176.600 -0.140 0.000 0.984 410 E CA 1.098 57.441 56.400 -0.096 0.000 0.806 410 E CB -0.183 29.495 29.700 -0.038 0.000 0.750 410 E HN 0.517 nan 8.360 nan 0.000 0.458 411 L N 1.185 122.364 121.223 -0.075 0.000 2.072 411 L HA -0.102 4.236 4.340 -0.003 0.000 0.205 411 L C 2.327 179.157 176.870 -0.067 0.000 1.079 411 L CA 1.636 56.441 54.840 -0.058 0.000 0.752 411 L CB -0.221 41.823 42.059 -0.025 0.000 0.906 411 L HN -0.101 nan 8.230 nan 0.000 0.436 412 R N -1.104 119.360 120.500 -0.060 0.000 2.081 412 R HA -0.148 4.191 4.340 -0.003 0.000 0.235 412 R C 2.208 178.459 176.300 -0.082 0.000 1.131 412 R CA 1.503 57.574 56.100 -0.049 0.000 0.960 412 R CB -0.154 30.129 30.300 -0.028 0.000 0.856 412 R HN 0.516 nan 8.270 nan 0.000 0.436 413 Q N 0.023 119.732 119.800 -0.151 0.000 2.119 413 Q HA -0.152 4.186 4.340 -0.003 0.000 0.201 413 Q C 2.145 177.918 176.000 -0.378 0.000 0.972 413 Q CA 1.336 56.998 55.803 -0.236 0.000 0.847 413 Q CB -0.055 28.494 28.738 -0.317 0.000 0.903 413 Q HN 0.376 nan 8.270 nan 0.000 0.433 414 R N 0.247 120.494 120.500 -0.422 0.000 2.075 414 R HA -0.042 4.296 4.340 -0.003 0.000 0.232 414 R C 2.469 178.776 176.300 0.010 0.000 1.126 414 R CA 0.808 56.742 56.100 -0.277 0.000 0.963 414 R CB -0.275 29.989 30.300 -0.060 0.000 0.858 414 R HN 0.169 nan 8.270 nan 0.000 0.435 415 L N 0.321 121.555 121.223 0.018 0.000 2.042 415 L HA -0.219 4.119 4.340 -0.003 0.000 0.210 415 L C 2.274 179.173 176.870 0.049 0.000 1.076 415 L CA 1.363 56.240 54.840 0.063 0.000 0.749 415 L CB -0.349 41.726 42.059 0.027 0.000 0.893 415 L HN 0.214 nan 8.230 nan 0.000 0.432 416 I N -1.291 119.284 120.570 0.009 0.000 2.233 416 I HA -0.300 3.869 4.170 -0.003 0.000 0.243 416 I C 2.606 178.731 176.117 0.013 0.000 1.093 416 I CA 1.212 62.527 61.300 0.025 0.000 1.380 416 I CB -0.355 37.663 38.000 0.031 0.000 1.067 416 I HN 0.273 nan 8.210 nan 0.000 0.413 417 H N 0.926 119.909 119.070 -0.144 0.000 2.353 417 H HA -0.152 4.402 4.556 -0.003 0.000 0.300 417 H C 1.602 176.775 175.328 -0.259 0.000 1.090 417 H CA 1.838 57.753 56.048 -0.222 0.000 1.327 417 H CB -0.091 29.490 29.762 -0.302 0.000 1.383 417 H HN 0.187 nan 8.280 nan 0.000 0.508 418 F N 0.307 120.243 119.950 -0.023 0.000 2.811 418 F HA 0.205 4.732 4.527 -0.001 0.000 0.301 418 F C 1.158 176.919 175.800 -0.066 0.000 1.151 418 F CA 0.072 58.020 58.000 -0.086 0.000 1.412 418 F CB -0.324 38.661 39.000 -0.026 0.000 1.113 418 F HN -0.051 nan 8.300 nan 0.000 0.579 419 S N 0.312 116.056 115.700 0.073 0.000 2.585 419 S HA 0.544 5.013 4.470 -0.003 0.000 0.273 419 S C 0.482 175.104 174.600 0.037 0.000 1.339 419 S CA -0.713 57.524 58.200 0.062 0.000 1.028 419 S CB 0.789 64.026 63.200 0.061 0.000 0.906 419 S HN 0.224 nan 8.310 nan 0.000 0.528 420 A N 3.150 125.996 122.820 0.043 0.000 2.450 420 A HA 0.322 4.641 4.320 -0.003 0.000 0.255 420 A C 0.164 177.768 177.584 0.033 0.000 1.096 420 A CA -0.021 52.036 52.037 0.033 0.000 0.778 420 A CB 0.072 19.093 19.000 0.034 0.000 1.031 420 A HN 0.713 nan 8.150 nan 0.000 0.494 421 K N 1.468 121.883 120.400 0.025 0.000 2.207 421 K HA 0.355 4.674 4.320 -0.003 0.000 0.255 421 K C -0.670 175.945 176.600 0.024 0.000 0.941 421 K CA -0.570 55.735 56.287 0.031 0.000 0.825 421 K CB 1.559 34.077 32.500 0.029 0.000 1.119 421 K HN 0.778 nan 8.250 nan 0.000 0.430 422 D N 0.902 121.318 120.400 0.027 0.000 2.772 422 D HA -0.140 4.498 4.640 -0.003 0.000 0.233 422 D C -0.042 176.257 176.300 -0.003 0.000 1.143 422 D CA 0.442 54.452 54.000 0.018 0.000 0.700 422 D CB -0.753 40.062 40.800 0.025 0.000 1.076 422 D HN 0.284 nan 8.370 nan 0.000 0.430 423 V N -0.083 119.821 119.914 -0.017 0.000 3.621 423 V HA 0.240 4.359 4.120 -0.003 0.000 0.263 423 V C 1.317 177.361 176.094 -0.084 0.000 1.272 423 V CA 0.163 62.439 62.300 -0.039 0.000 1.080 423 V CB 0.095 31.902 31.823 -0.027 0.000 0.816 423 V HN 0.295 nan 8.190 nan 0.000 0.451 424 I N 1.769 122.274 120.570 -0.107 0.000 2.441 424 I HA 0.195 4.364 4.170 -0.003 0.000 0.287 424 I C 0.355 176.381 176.117 -0.151 0.000 1.049 424 I CA -0.099 61.086 61.300 -0.192 0.000 1.381 424 I CB 0.468 38.300 38.000 -0.280 0.000 1.409 424 I HN 0.093 nan 8.210 nan 0.000 0.523 425 N N 5.703 124.292 118.700 -0.185 0.000 2.405 425 N HA 0.008 4.746 4.740 -0.003 0.000 0.260 425 N C 0.568 175.973 175.510 -0.175 0.000 1.152 425 N CA 0.280 53.250 53.050 -0.133 0.000 0.948 425 N CB 0.630 39.052 38.487 -0.109 0.000 1.111 425 N HN 0.521 nan 8.380 nan 0.000 0.485 426 E N 2.309 122.463 120.200 -0.077 0.000 2.481 426 E HA -0.012 4.336 4.350 -0.003 0.000 0.195 426 E C 1.351 177.932 176.600 -0.031 0.000 1.047 426 E CA 0.191 56.583 56.400 -0.012 0.000 0.867 426 E CB 0.126 29.921 29.700 0.158 0.000 0.858 426 E HN 0.719 nan 8.360 nan 0.000 0.513 427 A N 0.798 123.590 122.820 -0.047 0.000 2.032 427 A HA -0.207 4.112 4.320 -0.003 0.000 0.221 427 A C 1.763 179.310 177.584 -0.062 0.000 1.165 427 A CA 1.034 53.048 52.037 -0.039 0.000 0.645 427 A CB -0.856 18.125 19.000 -0.032 0.000 0.807 427 A HN 0.561 nan 8.150 nan 0.000 0.453 428 W N -0.532 120.545 121.300 -0.372 0.000 2.392 428 W HA 0.037 4.696 4.660 -0.002 0.000 0.279 428 W C -0.237 176.047 176.519 -0.392 0.000 1.225 428 W CA 0.572 57.667 57.345 -0.416 0.000 1.233 428 W CB -0.053 29.046 29.460 -0.602 0.000 1.122 428 W HN 0.159 nan 8.180 nan 0.000 0.561 429 F N 1.551 121.523 119.950 0.036 0.000 2.375 429 F HA 0.332 4.858 4.527 -0.003 0.000 0.333 429 F C -1.473 174.112 175.800 -0.358 0.000 1.104 429 F CA -3.291 54.525 58.000 -0.307 0.000 1.149 429 F CB -0.857 37.960 39.000 -0.305 0.000 1.190 429 F HN -0.401 nan 8.300 nan 0.000 0.533 430 P HA 0.008 nan 4.420 nan 0.000 0.266 430 P C 0.476 177.728 177.300 -0.080 0.000 1.193 430 P CA 0.213 63.223 63.100 -0.151 0.000 0.770 430 P CB 0.558 32.190 31.700 -0.115 0.000 0.836 431 E N 0.978 121.157 120.200 -0.035 0.000 2.085 431 E HA -0.221 4.128 4.350 -0.003 0.000 0.194 431 E C 0.906 177.504 176.600 -0.003 0.000 0.994 431 E CA 1.366 57.763 56.400 -0.004 0.000 0.801 431 E CB -0.221 29.488 29.700 0.017 0.000 0.743 431 E HN 0.525 nan 8.360 nan 0.000 0.453 432 D N 0.151 120.553 120.400 0.004 0.000 2.348 432 D HA -0.079 4.559 4.640 -0.003 0.000 0.216 432 D C 1.657 177.917 176.300 -0.067 0.000 0.970 432 D CA 0.648 54.658 54.000 0.016 0.000 0.889 432 D CB 0.082 40.917 40.800 0.058 0.000 0.912 432 D HN 0.165 nan 8.370 nan 0.000 0.524 433 Q N -0.093 119.646 119.800 -0.102 0.000 2.408 433 Q HA 0.122 4.461 4.340 -0.003 0.000 0.205 433 Q C 1.914 177.756 176.000 -0.264 0.000 0.919 433 Q CA -0.004 55.693 55.803 -0.178 0.000 0.932 433 Q CB 0.417 29.060 28.738 -0.159 0.000 1.058 433 Q HN 0.315 nan 8.270 nan 0.000 0.517 434 R N 0.142 120.545 120.500 -0.161 0.000 2.070 434 R HA -0.093 4.246 4.340 -0.003 0.000 0.233 434 R C 2.309 178.477 176.300 -0.220 0.000 1.137 434 R CA 1.491 57.537 56.100 -0.090 0.000 0.945 434 R CB -0.427 29.879 30.300 0.010 0.000 0.845 434 R HN 0.006 nan 8.270 nan 0.000 0.430 435 V N 1.488 121.197 119.914 -0.341 0.000 2.490 435 V HA -0.196 3.922 4.120 -0.003 0.000 0.250 435 V C 2.120 177.658 176.094 -0.927 0.000 1.061 435 V CA 1.538 63.479 62.300 -0.598 0.000 1.064 435 V CB -0.416 30.899 31.823 -0.846 0.000 0.670 435 V HN 0.311 nan 8.190 nan 0.000 0.461 436 L N -0.840 119.837 121.223 -0.909 0.000 2.418 436 L HA 0.045 4.383 4.340 -0.003 0.000 0.218 436 L C 0.907 177.423 176.870 -0.590 0.000 1.125 436 L CA 0.522 54.734 54.840 -1.047 0.000 0.835 436 L CB -0.325 41.272 42.059 -0.769 0.000 0.953 436 L HN 0.259 nan 8.230 nan 0.000 0.454 437 T N 1.851 116.159 114.554 -0.410 0.000 2.743 437 T HA 0.295 4.643 4.350 -0.003 0.000 0.293 437 T C -2.322 172.325 174.700 -0.087 0.000 0.945 437 T CA -1.156 60.792 62.100 -0.254 0.000 1.030 437 T CB 1.348 69.914 68.868 -0.503 0.000 0.912 437 T HN -0.125 nan 8.240 nan 0.000 0.483 438 P HA 0.175 nan 4.420 nan 0.000 0.271 438 P C -0.184 177.233 177.300 0.196 0.000 1.220 438 P CA -0.484 62.674 63.100 0.097 0.000 0.768 438 P CB 0.402 32.162 31.700 0.100 0.000 0.848 439 N N 4.112 122.886 118.700 0.124 0.000 2.918 439 N HA 0.239 4.977 4.740 -0.003 0.000 0.247 439 N C -1.369 174.203 175.510 0.103 0.000 1.117 439 N CA 0.012 53.122 53.050 0.100 0.000 1.005 439 N CB -0.522 38.003 38.487 0.063 0.000 1.297 439 N HN 0.352 nan 8.380 nan 0.000 0.513 440 L N 1.485 122.811 121.223 0.172 0.000 2.464 440 L HA 0.512 4.850 4.340 -0.003 0.000 0.266 440 L C -0.853 176.137 176.870 0.200 0.000 0.965 440 L CA -0.978 53.954 54.840 0.154 0.000 0.833 440 L CB 2.453 44.599 42.059 0.145 0.000 1.296 440 L HN -0.147 nan 8.230 nan 0.000 0.405 441 V N 2.020 122.008 119.914 0.123 0.000 2.444 441 V HA 0.571 4.689 4.120 -0.003 0.000 0.294 441 V C 0.484 176.626 176.094 0.081 0.000 1.022 441 V CA -0.719 61.652 62.300 0.118 0.000 0.850 441 V CB 1.701 33.572 31.823 0.079 0.000 0.992 441 V HN 0.876 nan 8.190 nan 0.000 0.426 442 A N 3.994 126.858 122.820 0.073 0.000 2.555 442 A HA 0.686 5.004 4.320 -0.003 0.000 0.233 442 A C 0.460 178.066 177.584 0.036 0.000 1.060 442 A CA 0.770 52.839 52.037 0.053 0.000 0.759 442 A CB 0.226 19.251 19.000 0.041 0.000 0.995 442 A HN 1.734 nan 8.150 nan 0.000 0.506 443 A N 1.567 124.414 122.820 0.045 0.000 2.594 443 A HA 0.619 4.938 4.320 -0.003 0.000 0.295 443 A C -0.503 177.081 177.584 0.001 0.000 1.071 443 A CA -0.703 51.342 52.037 0.015 0.000 0.685 443 A CB 0.587 19.599 19.000 0.021 0.000 1.285 443 A HN 0.858 nan 8.150 nan 0.000 0.405 444 L N 2.359 123.545 121.223 -0.062 0.000 2.483 444 L HA 0.273 4.611 4.340 -0.003 0.000 0.276 444 L C -1.700 175.030 176.870 -0.234 0.000 1.213 444 L CA -1.272 53.494 54.840 -0.123 0.000 0.843 444 L CB 0.497 42.473 42.059 -0.138 0.000 1.107 444 L HN 0.501 nan 8.230 nan 0.000 0.487 445 P HA 0.128 nan 4.420 nan 0.000 0.271 445 P C -2.581 174.374 177.300 -0.575 0.000 1.218 445 P CA -1.276 61.244 63.100 -0.967 0.000 0.780 445 P CB -0.096 30.946 31.700 -1.097 0.000 0.901 446 P HA 0.089 nan 4.420 nan 0.000 0.272 446 P C 0.674 177.851 177.300 -0.205 0.000 1.230 446 P CA -0.061 62.895 63.100 -0.241 0.000 0.788 446 P CB 0.349 31.970 31.700 -0.131 0.000 0.949 447 S N -0.080 115.583 115.700 -0.061 0.000 2.419 447 S HA -0.133 4.336 4.470 -0.003 0.000 0.233 447 S C 1.891 176.498 174.600 0.010 0.000 1.016 447 S CA 1.706 59.891 58.200 -0.026 0.000 0.974 447 S CB -1.043 62.161 63.200 0.007 0.000 0.786 447 S HN 0.697 nan 8.310 nan 0.000 0.492 448 T N 1.509 116.090 114.554 0.045 0.000 2.897 448 T HA -0.118 4.231 4.350 -0.003 0.000 0.271 448 T C 0.339 175.216 174.700 0.295 0.000 1.084 448 T CA 1.591 63.782 62.100 0.151 0.000 1.123 448 T CB -0.313 68.674 68.868 0.197 0.000 0.865 448 T HN 0.887 nan 8.240 nan 0.000 0.496 453 W N 1.032 122.293 121.300 -0.064 0.000 2.190 453 W HA 0.626 5.284 4.660 -0.002 0.000 0.330 453 W C 0.298 176.704 176.519 -0.189 0.000 1.299 453 W CA 0.277 57.569 57.345 -0.088 0.000 1.215 453 W CB 1.030 30.449 29.460 -0.068 0.000 1.147 453 W HN 0.668 nan 8.180 nan 0.000 0.563 454 Q N 4.576 123.552 119.800 -1.373 0.000 2.389 454 Q HA 0.423 4.761 4.340 -0.003 0.000 0.277 454 Q C -1.918 172.786 176.000 -2.160 0.000 1.082 454 Q CA -1.125 53.794 55.803 -1.474 0.000 0.810 454 Q CB 1.673 29.679 28.738 -1.220 0.000 1.374 454 Q HN 0.536 nan 8.270 nan 0.000 0.422 455 L N 3.801 124.141 121.223 -1.472 0.000 2.283 455 L HA 0.466 4.805 4.340 -0.003 0.000 0.287 455 L C -1.783 174.664 176.870 -0.706 0.000 1.073 455 L CA 0.380 54.658 54.840 -0.935 0.000 0.822 455 L CB -0.054 41.790 42.059 -0.358 0.000 1.186 455 L HN 0.531 nan 8.230 nan 0.000 0.436 456 F N 4.300 124.038 119.950 -0.353 0.000 2.415 456 F HA 0.547 5.072 4.527 -0.003 0.000 0.348 456 F C 0.368 176.108 175.800 -0.100 0.000 1.119 456 F CA -0.278 57.575 58.000 -0.244 0.000 1.069 456 F CB 1.211 40.067 39.000 -0.241 0.000 1.124 456 F HN 0.386 nan 8.300 nan 0.000 0.472 457 c N 3.048 121.727 118.600 0.132 0.000 2.802 457 c HA 0.869 5.438 4.570 -0.003 0.000 0.307 457 c C -0.510 173.641 174.090 0.102 0.000 1.222 457 c CA -1.103 55.288 56.329 0.102 0.000 1.580 457 c CB 2.357 44.914 42.510 0.078 0.000 2.119 457 c HN 0.952 nan 8.230 nan 0.000 0.479 458 R N 0.158 120.709 120.500 0.084 0.000 2.740 458 R HA 0.761 5.100 4.340 -0.003 0.000 0.273 458 R C -1.475 174.873 176.300 0.080 0.000 0.998 458 R CA -0.288 55.862 56.100 0.083 0.000 0.900 458 R CB 1.140 31.481 30.300 0.067 0.000 1.223 458 R HN 0.559 nan 8.270 nan 0.000 0.466 459 T N 1.740 116.354 114.554 0.101 0.000 2.767 459 T HA 0.349 4.697 4.350 -0.003 0.000 0.288 459 T C -0.579 174.203 174.700 0.136 0.000 0.963 459 T CA -0.520 61.641 62.100 0.101 0.000 1.019 459 T CB 1.305 70.264 68.868 0.152 0.000 0.923 459 T HN 0.321 nan 8.240 nan 0.000 0.468 460 V N 4.225 124.183 119.914 0.073 0.000 2.326 460 V HA 0.334 4.452 4.120 -0.003 0.000 0.281 460 V C -0.820 175.327 176.094 0.088 0.000 1.015 460 V CA -1.115 61.251 62.300 0.110 0.000 0.823 460 V CB 0.755 32.617 31.823 0.065 0.000 1.009 460 V HN 0.836 nan 8.190 nan 0.000 0.436 461 W N 3.394 124.691 121.300 -0.004 0.000 2.315 461 W HA 0.526 5.184 4.660 -0.003 0.000 0.316 461 W C 1.085 177.641 176.519 0.063 0.000 1.211 461 W CA -0.059 57.286 57.345 0.001 0.000 1.201 461 W CB 1.347 30.745 29.460 -0.104 0.000 1.184 461 W HN 0.673 nan 8.180 nan 0.000 0.544 462 S N 2.369 118.249 115.700 0.299 0.000 2.624 462 S HA 0.685 5.154 4.470 -0.003 0.000 0.263 462 S C 0.330 175.149 174.600 0.365 0.000 1.287 462 S CA -0.797 57.553 58.200 0.250 0.000 0.990 462 S CB 0.763 64.057 63.200 0.158 0.000 0.950 462 S HN 0.727 nan 8.310 nan 0.000 0.561 463 A N 1.460 124.424 122.820 0.239 0.000 2.555 463 A HA 0.106 4.425 4.320 -0.003 0.000 0.233 463 A C 0.655 178.368 177.584 0.217 0.000 1.060 463 A CA -0.111 52.066 52.037 0.234 0.000 0.759 463 A CB -0.566 18.503 19.000 0.116 0.000 0.995 463 A HN 0.936 nan 8.150 nan 0.000 0.506 464 H N 1.963 121.063 119.070 0.049 0.000 2.964 464 H HA 0.042 4.597 4.556 -0.003 0.000 0.328 464 H C 1.616 176.844 175.328 -0.167 0.000 1.030 464 H CA 0.915 56.784 56.048 -0.299 0.000 1.445 464 H CB 0.871 30.421 29.762 -0.353 0.000 1.449 464 H HN 0.857 nan 8.280 nan 0.000 0.581 465 S N 3.281 118.679 115.700 -0.503 0.000 2.474 465 S HA 0.024 4.492 4.470 -0.003 0.000 0.235 465 S C 1.136 175.597 174.600 -0.231 0.000 0.997 465 S CA 0.439 58.454 58.200 -0.308 0.000 0.949 465 S CB -0.229 62.779 63.200 -0.320 0.000 0.766 465 S HN 1.124 nan 8.310 nan 0.000 0.517 466 G N 1.777 110.427 108.800 -0.250 0.000 2.829 466 G HA2 -0.132 3.826 3.960 -0.003 0.000 0.628 466 G HA3 -0.132 3.826 3.960 -0.003 0.000 0.628 466 G C -2.205 172.628 174.900 -0.112 0.000 1.412 466 G CA -0.328 44.735 45.100 -0.062 0.000 0.864 466 G HN 0.285 nan 8.290 nan 0.000 0.544 467 P HA 0.110 nan 4.420 nan 0.000 0.255 467 P C 1.232 178.468 177.300 -0.107 0.000 1.248 467 P CA 1.114 64.171 63.100 -0.073 0.000 0.807 467 P CB -0.237 31.436 31.700 -0.045 0.000 1.150 468 T N -1.702 112.791 114.554 -0.102 0.000 2.946 468 T HA 0.078 4.426 4.350 -0.003 0.000 0.311 468 T C 1.472 176.096 174.700 -0.127 0.000 1.063 468 T CA -0.404 61.630 62.100 -0.110 0.000 1.139 468 T CB 0.847 69.666 68.868 -0.082 0.000 0.994 468 T HN -0.082 nan 8.240 nan 0.000 0.547 469 R N 2.116 122.514 120.500 -0.169 0.000 2.091 469 R HA -0.027 4.311 4.340 -0.003 0.000 0.238 469 R C 1.535 177.798 176.300 -0.061 0.000 1.136 469 R CA 1.249 57.233 56.100 -0.193 0.000 0.959 469 R CB -0.400 29.724 30.300 -0.293 0.000 0.856 469 R HN 0.645 nan 8.270 nan 0.000 0.437 470 M N 0.346 119.925 119.600 -0.035 0.000 2.626 470 M HA 0.250 4.728 4.480 -0.003 0.000 0.262 470 M C 0.053 176.351 176.300 -0.004 0.000 1.256 470 M CA -0.683 54.623 55.300 0.009 0.000 0.981 470 M CB -0.285 32.325 32.600 0.016 0.000 1.492 470 M HN -0.146 nan 8.290 nan 0.000 0.474 471 A N 1.607 124.400 122.820 -0.045 0.000 2.462 471 A HA 0.446 4.764 4.320 -0.003 0.000 0.243 471 A C 0.685 178.213 177.584 -0.092 0.000 1.076 471 A CA 0.043 52.033 52.037 -0.079 0.000 0.773 471 A CB -0.003 18.926 19.000 -0.119 0.000 1.010 471 A HN 0.509 nan 8.150 nan 0.000 0.493 472 T N -0.747 113.731 114.554 -0.127 0.000 2.876 472 T HA 0.740 5.088 4.350 -0.003 0.000 0.289 472 T C -0.418 174.168 174.700 -0.190 0.000 1.014 472 T CA -0.051 61.919 62.100 -0.217 0.000 0.986 472 T CB 1.662 70.359 68.868 -0.286 0.000 1.021 472 T HN 1.569 nan 8.240 nan 0.000 0.458 473 A N 3.332 126.027 122.820 -0.208 0.000 2.312 473 A HA 0.819 5.137 4.320 -0.003 0.000 0.326 473 A C -0.308 177.202 177.584 -0.123 0.000 1.172 473 A CA -1.026 50.930 52.037 -0.135 0.000 0.821 473 A CB 0.483 19.417 19.000 -0.109 0.000 1.166 473 A HN 0.930 nan 8.150 nan 0.000 0.493 474 I N 1.784 122.312 120.570 -0.070 0.000 2.418 474 I HA 0.499 4.668 4.170 -0.003 0.000 0.287 474 I C 0.232 176.339 176.117 -0.018 0.000 1.008 474 I CA -0.398 60.864 61.300 -0.062 0.000 1.104 474 I CB 1.907 39.872 38.000 -0.058 0.000 1.264 474 I HN 0.708 nan 8.210 nan 0.000 0.438 475 A N 7.496 130.303 122.820 -0.023 0.000 2.271 475 A HA 0.755 5.073 4.320 -0.003 0.000 0.317 475 A C -0.356 177.224 177.584 -0.006 0.000 1.245 475 A CA -0.592 51.446 52.037 0.001 0.000 0.857 475 A CB 0.714 19.706 19.000 -0.014 0.000 1.175 475 A HN 0.764 nan 8.150 nan 0.000 0.512 476 R N 0.994 121.500 120.500 0.009 0.000 2.787 476 R HA 0.623 4.962 4.340 -0.003 0.000 0.271 476 R C -0.870 175.441 176.300 0.018 0.000 0.993 476 R CA -0.569 55.536 56.100 0.008 0.000 0.993 476 R CB 1.674 31.980 30.300 0.010 0.000 1.155 476 R HN 0.737 nan 8.270 nan 0.000 0.486 477 c N 0.732 119.343 118.600 0.017 0.000 2.345 477 c HA 0.678 5.246 4.570 -0.003 0.000 0.370 477 c C 0.927 175.031 174.090 0.023 0.000 1.209 477 c CA -0.657 55.687 56.329 0.024 0.000 2.133 477 c CB 1.196 43.723 42.510 0.027 0.000 2.293 477 c HN 0.878 nan 8.230 nan 0.000 0.544 478 A N 1.567 124.402 122.820 0.025 0.000 2.346 478 A HA 0.414 4.733 4.320 -0.003 0.000 0.252 478 A C -1.477 176.121 177.584 0.023 0.000 1.089 478 A CA -0.564 51.486 52.037 0.022 0.000 0.797 478 A CB -0.507 18.506 19.000 0.021 0.000 1.047 478 A HN 0.714 nan 8.150 nan 0.000 0.494 479 P HA -0.158 nan 4.420 nan 0.000 0.216 479 P C 0.443 177.759 177.300 0.026 0.000 1.150 479 P CA 1.723 64.835 63.100 0.020 0.000 0.843 479 P CB 0.013 31.723 31.700 0.016 0.000 0.787 480 D N -1.618 118.800 120.400 0.030 0.000 2.328 480 D HA 0.009 4.647 4.640 -0.003 0.000 0.221 480 D C 0.286 176.618 176.300 0.054 0.000 1.072 480 D CA 0.212 54.236 54.000 0.040 0.000 0.850 480 D CB -0.277 40.547 40.800 0.041 0.000 0.922 480 D HN 0.232 nan 8.370 nan 0.000 0.516 481 E N 0.471 120.700 120.200 0.050 0.000 2.227 481 E HA 0.288 4.637 4.350 -0.003 0.000 0.268 481 E C -0.214 176.419 176.600 0.055 0.000 0.990 481 E CA -0.763 55.673 56.400 0.060 0.000 0.856 481 E CB 1.441 31.172 29.700 0.052 0.000 1.159 481 E HN 0.039 nan 8.360 nan 0.000 0.401 482 E N 1.498 121.737 120.200 0.064 0.000 2.179 482 E HA 0.171 4.519 4.350 -0.003 0.000 0.275 482 E C -0.757 175.872 176.600 0.048 0.000 0.945 482 E CA -0.931 55.501 56.400 0.054 0.000 0.792 482 E CB 1.814 31.550 29.700 0.061 0.000 1.125 482 E HN 0.219 nan 8.360 nan 0.000 0.397 483 L N 4.312 125.557 121.223 0.036 0.000 2.515 483 L HA 0.049 4.387 4.340 -0.003 0.000 0.281 483 L C 0.553 177.442 176.870 0.031 0.000 1.131 483 L CA 0.506 55.363 54.840 0.028 0.000 0.905 483 L CB -0.230 41.838 42.059 0.015 0.000 1.246 483 L HN 0.589 nan 8.230 nan 0.000 0.463 484 L N 3.105 124.350 121.223 0.037 0.000 2.446 484 L HA 0.196 4.534 4.340 -0.003 0.000 0.219 484 L C 0.756 177.645 176.870 0.031 0.000 1.116 484 L CA 0.565 55.427 54.840 0.037 0.000 0.844 484 L CB -0.381 41.707 42.059 0.049 0.000 0.970 484 L HN 0.834 nan 8.230 nan 0.000 0.457 485 S N -1.937 113.779 115.700 0.027 0.000 2.643 485 S HA 0.468 4.937 4.470 -0.003 0.000 0.270 485 S C -1.263 173.343 174.600 0.010 0.000 1.166 485 S CA -0.957 57.258 58.200 0.025 0.000 0.815 485 S CB 2.334 65.553 63.200 0.031 0.000 1.139 485 S HN 0.031 nan 8.310 nan 0.000 0.472 486 c N 2.251 120.858 118.600 0.012 0.000 2.716 486 c HA 0.874 5.442 4.570 -0.003 0.000 0.366 486 c C -0.266 173.827 174.090 0.006 0.000 1.073 486 c CA 0.607 56.930 56.329 -0.010 0.000 1.260 486 c CB 0.413 42.913 42.510 -0.016 0.000 1.755 486 c HN 1.510 nan 8.230 nan 0.000 0.475 487 S N 3.935 119.620 115.700 -0.025 0.000 2.811 487 S HA 0.999 5.467 4.470 -0.003 0.000 0.311 487 S C -0.484 174.103 174.600 -0.022 0.000 1.152 487 S CA 0.014 58.217 58.200 0.005 0.000 0.864 487 S CB 1.778 64.989 63.200 0.017 0.000 1.226 487 S HN 1.993 nan 8.310 nan 0.000 0.541 488 S N -0.324 115.404 115.700 0.046 0.000 2.625 488 S HA 0.848 5.316 4.470 -0.003 0.000 0.271 488 S C -1.566 173.191 174.600 0.260 0.000 1.161 488 S CA -0.821 57.429 58.200 0.084 0.000 0.820 488 S CB 1.323 64.553 63.200 0.050 0.000 1.137 488 S HN 1.495 nan 8.310 nan 0.000 0.470 489 F N 1.104 121.142 119.950 0.147 0.000 2.654 489 F HA 0.672 5.198 4.527 -0.002 0.000 0.314 489 F C -1.083 174.918 175.800 0.334 0.000 1.116 489 F CA 0.128 58.293 58.000 0.275 0.000 1.017 489 F CB 1.813 41.042 39.000 0.381 0.000 1.285 489 F HN 1.112 nan 8.300 nan 0.000 0.448 490 S N 5.350 120.791 115.700 -0.431 0.000 2.536 490 S HA 0.554 5.022 4.470 -0.003 0.000 0.287 490 S C 0.300 174.459 174.600 -0.735 0.000 1.101 490 S CA -0.841 57.128 58.200 -0.385 0.000 0.950 490 S CB 2.414 65.547 63.200 -0.112 0.000 1.056 490 S HN 0.874 nan 8.310 nan 0.000 0.481 491 R N 1.359 121.639 120.500 -0.367 0.000 2.148 491 R HA -0.025 4.313 4.340 -0.003 0.000 0.227 491 R C 2.272 178.531 176.300 -0.069 0.000 1.103 491 R CA 1.579 57.573 56.100 -0.176 0.000 0.983 491 R CB -0.348 30.005 30.300 0.089 0.000 0.874 491 R HN 0.854 nan 8.270 nan 0.000 0.451 492 S N -0.966 114.716 115.700 -0.029 0.000 2.436 492 S HA 0.069 4.538 4.470 -0.003 0.000 0.228 492 S C 1.642 176.303 174.600 0.101 0.000 1.014 492 S CA 0.570 58.797 58.200 0.044 0.000 0.950 492 S CB 0.334 63.570 63.200 0.059 0.000 0.784 492 S HN 0.478 nan 8.310 nan 0.000 0.504 493 G N 1.062 109.880 108.800 0.030 0.000 2.157 493 G HA2 -0.255 3.704 3.960 -0.003 0.000 0.248 493 G HA3 -0.255 3.704 3.960 -0.003 0.000 0.248 493 G C -0.089 174.974 174.900 0.271 0.000 0.979 493 G CA 0.175 45.337 45.100 0.104 0.000 0.650 493 G HN 0.570 nan 8.290 nan 0.000 0.529 494 K N 0.571 121.073 120.400 0.169 0.000 2.219 494 K HA 0.543 4.861 4.320 -0.003 0.000 0.280 494 K C 0.352 177.020 176.600 0.114 0.000 1.104 494 K CA -0.212 56.171 56.287 0.160 0.000 0.925 494 K CB 0.674 33.239 32.500 0.109 0.000 1.261 494 K HN 0.312 nan 8.250 nan 0.000 0.445 495 R N 1.520 122.120 120.500 0.167 0.000 2.584 495 R HA 0.248 4.586 4.340 -0.003 0.000 0.276 495 R C -0.289 175.990 176.300 -0.035 0.000 1.046 495 R CA -0.600 55.544 56.100 0.074 0.000 0.906 495 R CB 1.181 31.569 30.300 0.147 0.000 1.215 495 R HN 0.408 nan 8.270 nan 0.000 0.449 496 R N 2.015 122.307 120.500 -0.348 0.000 2.552 496 R HA 0.240 4.579 4.340 -0.003 0.000 0.314 496 R C 0.455 175.976 176.300 -1.298 0.000 1.041 496 R CA 0.419 55.922 56.100 -0.995 0.000 1.076 496 R CB 1.156 31.169 30.300 -0.478 0.000 1.290 496 R HN 0.986 nan 8.270 nan 0.000 0.563 497 G N 2.113 110.331 108.800 -0.971 0.000 2.562 497 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.250 497 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.250 497 G C -0.662 174.163 174.900 -0.124 0.000 1.269 497 G CA 0.132 44.921 45.100 -0.519 0.000 0.919 497 G HN 0.344 nan 8.290 nan 0.000 0.574 498 E N 0.025 120.248 120.200 0.039 0.000 2.430 498 E HA 0.690 5.038 4.350 -0.003 0.000 0.279 498 E C -0.320 176.325 176.600 0.075 0.000 1.003 498 E CA -0.653 55.767 56.400 0.033 0.000 0.801 498 E CB 1.574 31.268 29.700 -0.011 0.000 1.313 498 E HN 1.523 nan 8.360 nan 0.000 0.459 499 R N 0.599 121.035 120.500 -0.107 0.000 2.707 499 R HA 0.600 4.938 4.340 -0.003 0.000 0.272 499 R C -0.779 175.361 176.300 -0.267 0.000 1.011 499 R CA -0.978 54.923 56.100 -0.331 0.000 0.893 499 R CB 1.191 31.125 30.300 -0.610 0.000 1.233 499 R HN 0.482 nan 8.270 nan 0.000 0.464 500 M N 2.461 121.897 119.600 -0.272 0.000 2.108 500 M HA 0.241 4.719 4.480 -0.003 0.000 0.354 500 M C -0.465 175.744 176.300 -0.152 0.000 1.229 500 M CA -0.044 55.170 55.300 -0.143 0.000 1.081 500 M CB 1.389 33.955 32.600 -0.057 0.000 1.606 500 M HN 0.652 nan 8.290 nan 0.000 0.467 501 E N 2.553 122.687 120.200 -0.111 0.000 2.266 501 E HA 0.793 5.141 4.350 -0.003 0.000 0.268 501 E C -1.403 175.171 176.600 -0.044 0.000 0.879 501 E CA -1.144 55.206 56.400 -0.082 0.000 0.762 501 E CB 1.752 31.395 29.700 -0.095 0.000 1.199 501 E HN 0.657 nan 8.360 nan 0.000 0.422 502 A N 2.732 125.539 122.820 -0.021 0.000 2.351 502 A HA 0.453 4.772 4.320 -0.003 0.000 0.257 502 A C -0.350 177.227 177.584 -0.012 0.000 1.087 502 A CA -0.270 51.762 52.037 -0.008 0.000 0.798 502 A CB 0.848 19.851 19.000 0.005 0.000 1.033 502 A HN 0.697 nan 8.150 nan 0.000 0.488 503 Q N 0.130 119.925 119.800 -0.007 0.000 2.476 503 Q HA 0.435 4.774 4.340 -0.003 0.000 0.236 503 Q C 0.018 176.016 176.000 -0.003 0.000 0.844 503 Q CA 0.447 56.245 55.803 -0.009 0.000 0.972 503 Q CB 0.885 29.613 28.738 -0.016 0.000 1.498 503 Q HN 2.314 nan 8.270 nan 0.000 0.454 504 G N 2.288 111.087 108.800 -0.001 0.000 2.305 504 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.287 504 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.287 504 G C 0.779 175.682 174.900 0.005 0.000 1.036 504 G CA 0.831 45.932 45.100 0.002 0.000 0.887 504 G HN 1.848 nan 8.290 nan 0.000 0.505 505 G N -1.374 107.429 108.800 0.006 0.000 2.160 505 G HA2 -0.192 3.767 3.960 -0.003 0.000 0.251 505 G HA3 -0.192 3.767 3.960 -0.003 0.000 0.251 505 G C 0.146 175.053 174.900 0.011 0.000 1.008 505 G CA 1.472 46.578 45.100 0.009 0.000 0.724 505 G HN 1.625 nan 8.290 nan 0.000 0.514 506 K N -0.434 119.971 120.400 0.009 0.000 2.501 506 K HA 0.663 4.982 4.320 -0.003 0.000 0.252 506 K C -0.020 176.583 176.600 0.005 0.000 0.934 506 K CA -1.132 55.161 56.287 0.010 0.000 0.797 506 K CB 1.117 33.623 32.500 0.010 0.000 1.270 506 K HN 0.082 nan 8.250 nan 0.000 0.431 507 L N 4.344 125.571 121.223 0.008 0.000 2.331 507 L HA 0.393 4.732 4.340 -0.003 0.000 0.278 507 L C 0.095 176.959 176.870 -0.009 0.000 1.106 507 L CA -0.704 54.136 54.840 -0.001 0.000 0.824 507 L CB 1.193 43.256 42.059 0.007 0.000 1.142 507 L HN 0.479 nan 8.230 nan 0.000 0.443 508 V N 0.488 120.387 119.914 -0.025 0.000 3.046 508 V HA 0.516 4.634 4.120 -0.003 0.000 0.316 508 V C -0.576 175.485 176.094 -0.056 0.000 1.104 508 V CA -1.066 61.213 62.300 -0.034 0.000 1.006 508 V CB 1.856 33.657 31.823 -0.037 0.000 1.058 508 V HN 0.896 nan 8.190 nan 0.000 0.440 509 c N 4.040 122.605 118.600 -0.060 0.000 2.255 509 c HA 0.720 5.288 4.570 -0.003 0.000 0.326 509 c C 0.101 174.123 174.090 -0.113 0.000 1.258 509 c CA -0.373 55.908 56.329 -0.080 0.000 1.676 509 c CB -0.329 42.143 42.510 -0.064 0.000 2.314 509 c HN 1.121 nan 8.230 nan 0.000 0.509 510 R N 4.626 125.027 120.500 -0.164 0.000 2.494 510 R HA 0.721 5.060 4.340 -0.003 0.000 0.305 510 R C -0.679 175.418 176.300 -0.339 0.000 0.959 510 R CA -0.154 55.794 56.100 -0.254 0.000 0.864 510 R CB 1.490 31.616 30.300 -0.289 0.000 1.159 510 R HN 0.877 nan 8.270 nan 0.000 0.446 511 A N 3.780 126.385 122.820 -0.360 0.000 2.356 511 A HA 0.534 4.852 4.320 -0.003 0.000 0.323 511 A C -1.290 176.010 177.584 -0.473 0.000 1.119 511 A CA -0.682 51.163 52.037 -0.321 0.000 0.790 511 A CB 1.171 20.079 19.000 -0.153 0.000 1.273 511 A HN 0.807 nan 8.150 nan 0.000 0.452 512 H N 1.471 120.442 119.070 -0.166 0.000 2.529 512 H HA 0.283 4.837 4.556 -0.003 0.000 0.348 512 H C -0.640 174.586 175.328 -0.169 0.000 1.079 512 H CA -0.566 55.382 56.048 -0.167 0.000 1.198 512 H CB 1.797 31.452 29.762 -0.179 0.000 1.521 512 H HN 0.774 nan 8.280 nan 0.000 0.514 513 N N 1.005 119.685 118.700 -0.034 0.000 2.503 513 N HA 0.269 5.007 4.740 -0.003 0.000 0.267 513 N C -0.531 174.970 175.510 -0.014 0.000 1.214 513 N CA -0.290 52.724 53.050 -0.061 0.000 0.959 513 N CB 0.969 39.396 38.487 -0.100 0.000 1.142 513 N HN 0.712 nan 8.380 nan 0.000 0.455 514 A N 2.056 124.881 122.820 0.009 0.000 2.279 514 A HA 0.393 4.711 4.320 -0.003 0.000 0.303 514 A C -0.373 177.270 177.584 0.098 0.000 1.108 514 A CA -0.621 51.465 52.037 0.081 0.000 0.830 514 A CB -0.060 19.018 19.000 0.131 0.000 1.106 514 A HN 0.699 nan 8.150 nan 0.000 0.493 515 F N 1.359 121.321 119.950 0.021 0.000 2.590 515 F HA 0.366 4.891 4.527 -0.003 0.000 0.389 515 F C 1.553 177.364 175.800 0.019 0.000 1.049 515 F CA 1.768 59.778 58.000 0.017 0.000 1.199 515 F CB 0.215 39.227 39.000 0.020 0.000 1.058 515 F HN 1.070 nan 8.300 nan 0.000 0.556 516 G N 3.407 112.149 108.800 -0.096 0.000 2.179 516 G HA2 -0.229 3.730 3.960 -0.003 0.000 0.260 516 G HA3 -0.229 3.730 3.960 -0.003 0.000 0.260 516 G C 0.522 175.425 174.900 0.005 0.000 0.977 516 G CA -0.080 45.014 45.100 -0.010 0.000 0.641 516 G HN 1.207 nan 8.290 nan 0.000 0.533 517 G N 0.282 109.081 108.800 -0.001 0.000 2.467 517 G HA2 0.503 4.461 3.960 -0.003 0.000 0.257 517 G HA3 0.503 4.461 3.960 -0.003 0.000 0.257 517 G C 0.984 175.873 174.900 -0.018 0.000 1.227 517 G CA 0.639 45.742 45.100 0.005 0.000 0.835 517 G HN 0.534 nan 8.290 nan 0.000 0.556 518 E N 1.224 121.433 120.200 0.015 0.000 2.418 518 E HA 0.177 4.525 4.350 -0.003 0.000 0.197 518 E C 0.961 177.600 176.600 0.065 0.000 1.026 518 E CA 0.770 57.199 56.400 0.048 0.000 0.862 518 E CB -0.155 29.593 29.700 0.081 0.000 0.799 518 E HN 1.320 nan 8.360 nan 0.000 0.518 519 G N -0.544 108.213 108.800 -0.072 0.000 2.355 519 G HA2 0.214 4.173 3.960 -0.003 0.000 0.619 519 G HA3 0.214 4.173 3.960 -0.003 0.000 0.619 519 G C -0.844 173.783 174.900 -0.455 0.000 1.337 519 G CA -0.470 44.399 45.100 -0.386 0.000 0.993 519 G HN 0.717 nan 8.290 nan 0.000 0.599 520 V N -2.771 116.766 119.914 -0.628 0.000 3.159 520 V HA 0.904 5.023 4.120 -0.003 0.000 0.308 520 V C -0.982 174.876 176.094 -0.392 0.000 1.190 520 V CA -1.641 60.453 62.300 -0.342 0.000 1.037 520 V CB 1.706 33.439 31.823 -0.151 0.000 1.060 520 V HN 1.208 nan 8.190 nan 0.000 0.437 521 Y N 0.907 121.269 120.300 0.104 0.000 2.387 521 Y HA 0.839 5.387 4.550 -0.002 0.000 0.336 521 Y C 0.644 176.542 175.900 -0.004 0.000 1.067 521 Y CA -0.080 58.108 58.100 0.147 0.000 1.114 521 Y CB 1.972 40.686 38.460 0.423 0.000 1.208 521 Y HN 1.065 nan 8.280 nan 0.000 0.458 522 A N 3.924 126.806 122.820 0.103 0.000 2.301 522 A HA 0.789 5.107 4.320 -0.003 0.000 0.312 522 A C -0.803 176.707 177.584 -0.123 0.000 1.182 522 A CA -0.552 51.465 52.037 -0.034 0.000 0.826 522 A CB 0.097 19.062 19.000 -0.059 0.000 1.134 522 A HN 0.770 nan 8.150 nan 0.000 0.501 523 I N 2.242 122.675 120.570 -0.229 0.000 2.521 523 I HA 0.412 4.581 4.170 -0.003 0.000 0.277 523 I C 0.434 176.423 176.117 -0.212 0.000 1.054 523 I CA -0.112 60.938 61.300 -0.416 0.000 1.117 523 I CB 1.585 39.159 38.000 -0.710 0.000 1.217 523 I HN 0.696 nan 8.210 nan 0.000 0.469 524 A N 5.151 127.891 122.820 -0.134 0.000 2.316 524 A HA 0.730 5.048 4.320 -0.003 0.000 0.284 524 A C -0.063 177.500 177.584 -0.035 0.000 1.115 524 A CA -0.420 51.581 52.037 -0.061 0.000 0.812 524 A CB 0.693 19.677 19.000 -0.027 0.000 1.064 524 A HN 0.675 nan 8.150 nan 0.000 0.489 525 R N 1.214 121.710 120.500 -0.006 0.000 2.239 525 R HA 0.492 4.831 4.340 -0.003 0.000 0.332 525 R C -1.632 174.689 176.300 0.034 0.000 0.988 525 R CA 0.045 56.158 56.100 0.022 0.000 0.859 525 R CB 0.271 30.589 30.300 0.030 0.000 1.148 525 R HN 0.698 nan 8.270 nan 0.000 0.482 526 c N 4.248 122.874 118.600 0.044 0.000 2.322 526 c HA 0.657 5.226 4.570 -0.003 0.000 0.324 526 c C -0.394 173.736 174.090 0.066 0.000 1.284 526 c CA -0.654 55.704 56.329 0.049 0.000 1.606 526 c CB 0.137 42.673 42.510 0.043 0.000 2.251 526 c HN 0.817 nan 8.230 nan 0.000 0.502 527 c N 3.031 121.678 118.600 0.078 0.000 2.802 527 c HA 0.597 5.165 4.570 -0.003 0.000 0.307 527 c C -0.444 173.724 174.090 0.130 0.000 1.222 527 c CA -0.784 55.608 56.329 0.104 0.000 1.580 527 c CB 1.030 43.602 42.510 0.102 0.000 2.119 527 c HN 0.800 nan 8.230 nan 0.000 0.479 528 L N 2.677 124.005 121.223 0.176 0.000 2.259 528 L HA 0.513 4.851 4.340 -0.003 0.000 0.288 528 L C -0.643 176.435 176.870 0.347 0.000 1.051 528 L CA -0.081 54.895 54.840 0.226 0.000 0.824 528 L CB 0.586 42.794 42.059 0.248 0.000 1.206 528 L HN 0.414 nan 8.230 nan 0.000 0.429 529 L N 7.250 128.637 121.223 0.273 0.000 2.490 529 L HA 0.519 4.857 4.340 -0.003 0.000 0.256 529 L C -2.335 174.592 176.870 0.095 0.000 1.089 529 L CA -1.334 53.658 54.840 0.253 0.000 0.916 529 L CB 1.274 43.436 42.059 0.170 0.000 1.188 529 L HN 0.219 nan 8.230 nan 0.000 0.476 530 P HA 0.251 nan 4.420 nan 0.000 0.278 530 P C -0.583 176.628 177.300 -0.148 0.000 1.238 530 P CA 0.146 63.217 63.100 -0.048 0.000 0.794 530 P CB 1.290 32.956 31.700 -0.056 0.000 0.955 531 Q N -2.432 117.311 119.800 -0.095 0.000 2.342 531 Q HA -0.180 4.159 4.340 -0.003 0.000 0.196 531 Q C 0.237 176.189 176.000 -0.080 0.000 0.629 531 Q CA 1.531 57.273 55.803 -0.101 0.000 1.365 531 Q CB -2.855 25.785 28.738 -0.162 0.000 1.406 531 Q HN 0.783 nan 8.270 nan 0.000 0.840 532 A N 1.311 124.099 122.820 -0.054 0.000 2.401 532 A HA 0.539 4.857 4.320 -0.003 0.000 0.259 532 A C 0.282 177.880 177.584 0.024 0.000 1.103 532 A CA -0.179 51.848 52.037 -0.017 0.000 0.789 532 A CB 0.367 19.371 19.000 0.005 0.000 1.035 532 A HN 0.172 nan 8.150 nan 0.000 0.491 533 N N 1.127 119.864 118.700 0.061 0.000 2.564 533 N HA 0.378 5.116 4.740 -0.003 0.000 0.248 533 N C -1.359 174.213 175.510 0.103 0.000 0.986 533 N CA -0.053 53.047 53.050 0.083 0.000 0.921 533 N CB 1.154 39.704 38.487 0.105 0.000 1.136 533 N HN 0.568 nan 8.380 nan 0.000 0.509 534 c N 1.088 119.736 118.600 0.079 0.000 2.411 534 c HA 0.834 5.402 4.570 -0.003 0.000 0.330 534 c C 0.606 174.746 174.090 0.085 0.000 1.224 534 c CA -0.628 55.746 56.329 0.075 0.000 1.770 534 c CB 0.683 43.224 42.510 0.051 0.000 2.297 534 c HN 0.785 nan 8.230 nan 0.000 0.507 535 S N 0.886 116.644 115.700 0.098 0.000 2.685 535 S HA 0.868 5.337 4.470 -0.003 0.000 0.282 535 S C -1.367 173.320 174.600 0.146 0.000 1.159 535 S CA -0.642 57.640 58.200 0.137 0.000 0.833 535 S CB 1.050 64.383 63.200 0.221 0.000 1.151 535 S HN 0.520 nan 8.310 nan 0.000 0.485 536 V N 1.541 121.572 119.914 0.195 0.000 2.555 536 V HA 0.506 4.625 4.120 -0.003 0.000 0.302 536 V C -0.854 175.459 176.094 0.364 0.000 1.038 536 V CA -0.546 61.883 62.300 0.215 0.000 0.887 536 V CB 1.434 33.337 31.823 0.133 0.000 0.991 536 V HN 0.950 nan 8.190 nan 0.000 0.434 537 H N 1.971 121.093 119.070 0.086 0.000 2.539 537 H HA 0.528 5.083 4.556 -0.003 0.000 0.332 537 H C -0.726 174.676 175.328 0.124 0.000 1.031 537 H CA -0.517 55.587 56.048 0.094 0.000 1.206 537 H CB 2.099 31.899 29.762 0.063 0.000 1.446 537 H HN 0.573 nan 8.280 nan 0.000 0.496 538 T N 2.204 116.891 114.554 0.222 0.000 2.863 538 T HA 0.596 4.945 4.350 -0.003 0.000 0.285 538 T C -0.559 174.198 174.700 0.095 0.000 1.009 538 T CA -0.678 61.541 62.100 0.197 0.000 0.989 538 T CB 1.644 70.704 68.868 0.320 0.000 1.004 538 T HN 0.698 nan 8.240 nan 0.000 0.455 539 A N 4.302 127.134 122.820 0.020 0.000 2.393 539 A HA 0.884 5.202 4.320 -0.003 0.000 0.306 539 A C -2.794 174.775 177.584 -0.025 0.000 1.050 539 A CA -1.897 50.147 52.037 0.012 0.000 0.724 539 A CB 1.264 20.277 19.000 0.021 0.000 1.248 539 A HN 0.531 nan 8.150 nan 0.000 0.424 540 P HA 0.373 nan 4.420 nan 0.000 0.277 540 P C -2.787 174.504 177.300 -0.015 0.000 1.271 540 P CA -1.644 61.453 63.100 -0.005 0.000 0.795 540 P CB -0.563 31.148 31.700 0.019 0.000 1.101 541 P HA -0.005 nan 4.420 nan 0.000 0.264 541 P C 0.559 177.859 177.300 0.000 0.000 1.193 541 P CA 0.546 63.645 63.100 -0.002 0.000 0.763 541 P CB -0.017 31.688 31.700 0.010 0.000 0.810 542 A N 4.135 126.952 122.820 -0.004 0.000 1.897 542 A HA -0.127 4.191 4.320 -0.003 0.000 0.215 542 A C 1.029 178.608 177.584 -0.009 0.000 1.181 542 A CA 1.100 53.132 52.037 -0.008 0.000 0.620 542 A CB -0.649 18.342 19.000 -0.016 0.000 0.821 542 A HN 0.560 nan 8.150 nan 0.000 0.443 543 E N -2.977 117.217 120.200 -0.010 0.000 3.763 543 E HA -0.191 4.158 4.350 -0.003 0.000 0.319 543 E C 0.040 176.626 176.600 -0.022 0.000 0.804 543 E CA 0.958 57.354 56.400 -0.007 0.000 1.196 543 E CB -2.186 27.514 29.700 -0.000 0.000 1.607 543 E HN 1.384 nan 8.360 nan 0.000 0.431 544 A N -0.619 122.179 122.820 -0.036 0.000 2.512 544 A HA 0.672 4.991 4.320 -0.003 0.000 0.294 544 A C 0.698 178.250 177.584 -0.054 0.000 1.054 544 A CA 0.956 52.968 52.037 -0.041 0.000 0.756 544 A CB 1.759 20.743 19.000 -0.027 0.000 1.293 544 A HN 0.540 nan 8.150 nan 0.000 0.395 545 S N 1.358 117.019 115.700 -0.066 0.000 4.158 545 S HA -0.239 4.229 4.470 -0.003 0.000 0.385 545 S C 1.316 175.872 174.600 -0.073 0.000 1.865 545 S CA 1.889 60.052 58.200 -0.061 0.000 4.249 545 S CB -1.409 61.766 63.200 -0.042 0.000 0.204 545 S HN 1.185 nan 8.310 nan 0.000 0.454 546 M N 3.330 122.896 119.600 -0.058 0.000 2.628 546 M HA 0.305 4.783 4.480 -0.003 0.000 0.232 546 M C 1.422 177.683 176.300 -0.065 0.000 1.128 546 M CA 1.203 56.470 55.300 -0.054 0.000 1.040 546 M CB -1.119 31.459 32.600 -0.036 0.000 1.608 546 M HN 1.094 nan 8.290 nan 0.000 0.507 547 G N 0.873 109.617 108.800 -0.092 0.000 2.782 547 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.228 547 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.228 547 G C -0.489 174.380 174.900 -0.053 0.000 1.372 547 G CA -0.741 44.298 45.100 -0.102 0.000 0.862 547 G HN 0.292 nan 8.290 nan 0.000 0.547 548 T N 1.613 116.146 114.554 -0.034 0.000 2.837 548 T HA 0.703 5.051 4.350 -0.003 0.000 0.285 548 T C 0.523 175.226 174.700 0.005 0.000 0.984 548 T CA -0.149 61.945 62.100 -0.011 0.000 1.049 548 T CB 1.045 69.908 68.868 -0.008 0.000 0.947 548 T HN 0.677 nan 8.240 nan 0.000 0.472 549 R N 1.200 121.713 120.500 0.021 0.000 2.698 549 R HA 0.826 5.164 4.340 -0.003 0.000 0.275 549 R C -1.689 174.661 176.300 0.084 0.000 1.001 549 R CA -0.898 55.231 56.100 0.047 0.000 0.896 549 R CB 2.613 32.939 30.300 0.042 0.000 1.218 549 R HN 0.419 nan 8.270 nan 0.000 0.462 550 V N 2.033 122.019 119.914 0.120 0.000 3.048 550 V HA 0.473 4.592 4.120 -0.003 0.000 0.303 550 V C -1.737 174.491 176.094 0.222 0.000 1.214 550 V CA -0.608 61.793 62.300 0.169 0.000 0.984 550 V CB 2.348 34.247 31.823 0.126 0.000 1.054 550 V HN 1.030 nan 8.190 nan 0.000 0.430 551 H N 2.002 121.151 119.070 0.132 0.000 2.928 551 H HA 0.638 5.192 4.556 -0.003 0.000 0.371 551 H C -0.930 174.466 175.328 0.113 0.000 1.186 551 H CA -0.880 55.223 56.048 0.092 0.000 1.134 551 H CB 1.475 31.291 29.762 0.091 0.000 1.824 551 H HN 0.618 nan 8.280 nan 0.000 0.554 552 c N 3.837 122.358 118.600 -0.131 0.000 2.345 552 c HA 0.053 4.622 4.570 -0.003 0.000 0.349 552 c C 1.754 175.926 174.090 0.136 0.000 1.130 552 c CA -0.121 56.000 56.329 -0.347 0.000 1.574 552 c CB -1.925 40.172 42.510 -0.687 0.000 2.108 552 c HN 0.982 nan 8.230 nan 0.000 0.516 553 H N 0.988 120.138 119.070 0.134 0.000 2.482 553 H HA 0.023 4.578 4.556 -0.002 0.000 0.286 553 H C 0.446 175.877 175.328 0.171 0.000 1.017 553 H CA 0.281 56.402 56.048 0.121 0.000 1.322 553 H CB 0.022 29.749 29.762 -0.058 0.000 1.426 553 H HN 0.648 nan 8.280 nan 0.000 0.546 554 Q N 2.040 121.606 119.800 -0.390 0.000 2.330 554 Q HA 0.030 4.369 4.340 -0.003 0.000 0.279 554 Q C -0.175 175.677 176.000 -0.246 0.000 1.024 554 Q CA 0.097 55.593 55.803 -0.511 0.000 0.900 554 Q CB 0.935 29.031 28.738 -1.070 0.000 1.221 554 Q HN 0.407 nan 8.270 nan 0.000 0.396 555 Q N 0.429 120.150 119.800 -0.131 0.000 2.286 555 Q HA 0.034 4.372 4.340 -0.003 0.000 0.290 555 Q C 0.923 176.900 176.000 -0.039 0.000 1.049 555 Q CA 1.125 56.904 55.803 -0.040 0.000 0.923 555 Q CB 0.254 28.977 28.738 -0.024 0.000 1.183 555 Q HN 0.971 nan 8.270 nan 0.000 0.383 556 G N 1.952 110.808 108.800 0.093 0.000 2.189 556 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.267 556 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.267 556 G C -0.173 174.940 174.900 0.356 0.000 0.975 556 G CA 0.725 45.953 45.100 0.214 0.000 0.644 556 G HN 0.902 nan 8.290 nan 0.000 0.537 557 H N 0.039 119.193 119.070 0.141 0.000 2.505 557 H HA 0.716 5.270 4.556 -0.003 0.000 0.351 557 H C 0.238 175.598 175.328 0.052 0.000 1.151 557 H CA -1.061 55.067 56.048 0.134 0.000 1.339 557 H CB 1.046 30.855 29.762 0.079 0.000 1.483 557 H HN 0.895 nan 8.280 nan 0.000 0.558 558 V N 1.667 121.624 119.914 0.072 0.000 2.581 558 V HA 0.424 4.542 4.120 -0.003 0.000 0.303 558 V C -0.128 175.909 176.094 -0.096 0.000 1.041 558 V CA -1.274 61.028 62.300 0.004 0.000 0.907 558 V CB 1.332 33.179 31.823 0.040 0.000 0.994 558 V HN 0.710 nan 8.190 nan 0.000 0.442 559 L N 4.975 126.150 121.223 -0.080 0.000 2.319 559 L HA 0.563 4.901 4.340 -0.003 0.000 0.280 559 L C 1.248 178.104 176.870 -0.024 0.000 1.099 559 L CA 1.328 56.116 54.840 -0.087 0.000 0.828 559 L CB 1.519 43.544 42.059 -0.056 0.000 1.150 559 L HN 1.055 nan 8.230 nan 0.000 0.442 560 T N 0.546 115.088 114.554 -0.021 0.000 2.985 560 T HA 0.546 4.895 4.350 -0.003 0.000 0.254 560 T C 0.528 175.242 174.700 0.024 0.000 1.021 560 T CA 0.213 62.323 62.100 0.016 0.000 0.957 560 T CB 0.129 69.010 68.868 0.023 0.000 1.047 560 T HN 0.837 nan 8.240 nan 0.000 0.511 561 G N -0.232 108.578 108.800 0.017 0.000 2.716 561 G HA2 0.482 4.440 3.960 -0.003 0.000 0.299 561 G HA3 0.482 4.440 3.960 -0.003 0.000 0.299 561 G C -1.346 173.581 174.900 0.045 0.000 1.450 561 G CA -0.696 44.424 45.100 0.034 0.000 0.968 561 G HN 0.361 nan 8.290 nan 0.000 0.566 562 c N 1.050 119.687 118.600 0.062 0.000 2.382 562 c HA 0.922 5.490 4.570 -0.003 0.000 0.327 562 c C 0.566 174.731 174.090 0.124 0.000 1.250 562 c CA -0.461 55.922 56.329 0.091 0.000 1.707 562 c CB 0.907 43.465 42.510 0.079 0.000 2.272 562 c HN 0.782 nan 8.230 nan 0.000 0.506 563 S N 0.986 116.797 115.700 0.186 0.000 2.634 563 S HA 0.834 5.303 4.470 -0.003 0.000 0.296 563 S C -0.826 173.977 174.600 0.338 0.000 1.104 563 S CA -0.535 57.814 58.200 0.247 0.000 0.920 563 S CB 1.927 65.273 63.200 0.244 0.000 1.111 563 S HN 0.820 nan 8.310 nan 0.000 0.493 564 S N 1.444 117.371 115.700 0.380 0.000 2.566 564 S HA 0.544 5.012 4.470 -0.003 0.000 0.273 564 S C -1.650 173.225 174.600 0.460 0.000 1.157 564 S CA -0.748 57.684 58.200 0.388 0.000 0.938 564 S CB 0.674 64.086 63.200 0.353 0.000 1.087 564 S HN 0.872 nan 8.310 nan 0.000 0.474 565 H N 1.502 120.761 119.070 0.314 0.000 2.797 565 H HA 0.770 5.324 4.556 -0.003 0.000 0.372 565 H C -1.450 174.016 175.328 0.230 0.000 1.168 565 H CA -0.914 55.172 56.048 0.063 0.000 1.163 565 H CB 1.026 30.803 29.762 0.025 0.000 1.778 565 H HN 0.752 nan 8.280 nan 0.000 0.551 566 W N 1.043 122.289 121.300 -0.090 0.000 2.975 566 W HA 0.619 5.278 4.660 -0.003 0.000 0.342 566 W C -0.297 176.178 176.519 -0.073 0.000 1.168 566 W CA -1.007 56.240 57.345 -0.164 0.000 1.141 566 W CB 1.459 30.863 29.460 -0.093 0.000 1.445 566 W HN 0.580 nan 8.180 nan 0.000 0.560 567 E N 0.420 120.686 120.200 0.111 0.000 2.526 567 E HA 0.103 4.451 4.350 -0.003 0.000 0.208 567 E C 0.110 176.776 176.600 0.110 0.000 0.997 567 E CA -0.292 56.144 56.400 0.059 0.000 0.961 567 E CB 1.452 31.168 29.700 0.027 0.000 1.030 567 E HN 0.264 nan 8.360 nan 0.000 0.483 568 V N 1.507 121.533 119.914 0.187 0.000 2.834 568 V HA -0.017 4.101 4.120 -0.003 0.000 0.301 568 V C 1.061 177.261 176.094 0.177 0.000 1.066 568 V CA -0.020 62.360 62.300 0.133 0.000 1.052 568 V CB 1.375 33.242 31.823 0.072 0.000 1.021 568 V HN 0.107 nan 8.190 nan 0.000 0.480 569 E N 2.412 122.660 120.200 0.079 0.000 2.106 569 E HA 0.040 4.389 4.350 -0.003 0.000 0.192 569 E C 0.221 176.871 176.600 0.084 0.000 0.984 569 E CA 0.952 57.395 56.400 0.072 0.000 0.806 569 E CB 0.070 29.757 29.700 -0.023 0.000 0.750 569 E HN 0.759 nan 8.360 nan 0.000 0.458 570 D N -1.179 119.232 120.400 0.018 0.000 2.671 570 D HA 0.155 4.794 4.640 -0.003 0.000 0.273 570 D C -0.595 175.606 176.300 -0.164 0.000 1.264 570 D CA -0.661 53.304 54.000 -0.059 0.000 0.788 570 D CB 1.180 41.945 40.800 -0.058 0.000 1.324 570 D HN -0.150 nan 8.370 nan 0.000 0.424 585 P HA -0.100 nan 4.420 nan 0.000 0.259 585 P C -0.347 176.986 177.300 0.056 0.000 1.155 585 P CA 0.861 63.981 63.100 0.033 0.000 0.759 585 P CB 0.301 32.024 31.700 0.039 0.000 0.753 586 N N -0.295 118.436 118.700 0.051 0.000 2.782 586 N HA -0.204 4.535 4.740 -0.003 0.000 0.251 586 N C -0.167 175.397 175.510 0.091 0.000 1.101 586 N CA 0.969 54.050 53.050 0.052 0.000 0.764 586 N CB -1.464 37.064 38.487 0.069 0.000 1.122 586 N HN 0.640 nan 8.380 nan 0.000 0.561 587 Q N -0.156 119.693 119.800 0.082 0.000 2.337 587 Q HA 0.571 4.910 4.340 -0.003 0.000 0.266 587 Q C -0.926 175.113 176.000 0.065 0.000 1.023 587 Q CA -0.566 55.299 55.803 0.104 0.000 0.829 587 Q CB 1.420 30.200 28.738 0.070 0.000 1.306 587 Q HN 0.348 nan 8.270 nan 0.000 0.449 588 c N 2.728 121.371 118.600 0.072 0.000 2.376 588 c HA 0.750 5.319 4.570 -0.003 0.000 0.335 588 c C -0.452 173.670 174.090 0.053 0.000 1.229 588 c CA -0.638 55.726 56.329 0.058 0.000 1.867 588 c CB 0.943 43.492 42.510 0.065 0.000 2.319 588 c HN 0.606 nan 8.230 nan 0.000 0.515 589 V N 2.527 122.466 119.914 0.042 0.000 2.531 589 V HA 0.821 4.939 4.120 -0.003 0.000 0.301 589 V C 0.515 176.629 176.094 0.033 0.000 1.034 589 V CA 0.060 62.377 62.300 0.028 0.000 0.865 589 V CB 1.592 33.423 31.823 0.012 0.000 0.995 589 V HN 1.141 nan 8.190 nan 0.000 0.424 590 G N 1.316 110.133 108.800 0.029 0.000 2.735 590 G HA2 0.431 4.389 3.960 -0.003 0.000 0.301 590 G HA3 0.431 4.389 3.960 -0.003 0.000 0.301 590 G C -0.798 174.116 174.900 0.024 0.000 1.279 590 G CA -0.624 44.506 45.100 0.050 0.000 1.019 590 G HN 0.686 nan 8.290 nan 0.000 0.497 591 H N 0.239 119.272 119.070 -0.062 0.000 2.871 591 H HA 0.006 4.560 4.556 -0.003 0.000 0.355 591 H C 1.936 177.217 175.328 -0.078 0.000 1.092 591 H CA 0.441 56.426 56.048 -0.105 0.000 1.420 591 H CB 0.994 30.627 29.762 -0.215 0.000 1.400 591 H HN 0.644 nan 8.280 nan 0.000 0.604 592 R N 2.680 123.016 120.500 -0.273 0.000 2.193 592 R HA -0.091 4.247 4.340 -0.003 0.000 0.229 592 R C 0.600 176.935 176.300 0.058 0.000 1.110 592 R CA 1.619 57.659 56.100 -0.100 0.000 0.988 592 R CB -0.044 30.149 30.300 -0.178 0.000 0.871 592 R HN 0.625 nan 8.270 nan 0.000 0.458 593 E N 0.640 120.997 120.200 0.262 0.000 2.463 593 E HA 0.226 4.574 4.350 -0.003 0.000 0.193 593 E C -0.161 176.498 176.600 0.099 0.000 1.041 593 E CA -0.056 56.431 56.400 0.145 0.000 0.879 593 E CB 0.938 30.701 29.700 0.106 0.000 0.997 593 E HN 0.414 nan 8.360 nan 0.000 0.478 594 A N 0.854 123.741 122.820 0.112 0.000 2.337 594 A HA 0.547 4.866 4.320 -0.003 0.000 0.331 594 A C -0.021 177.570 177.584 0.011 0.000 1.137 594 A CA -0.605 51.504 52.037 0.120 0.000 0.807 594 A CB 1.352 20.476 19.000 0.207 0.000 1.250 594 A HN 0.008 nan 8.150 nan 0.000 0.468 595 S N -0.062 115.569 115.700 -0.115 0.000 2.601 595 S HA 0.524 4.993 4.470 -0.003 0.000 0.271 595 S C -0.368 174.078 174.600 -0.257 0.000 1.305 595 S CA -0.032 58.044 58.200 -0.206 0.000 1.022 595 S CB 0.815 63.845 63.200 -0.284 0.000 0.940 595 S HN 0.655 nan 8.310 nan 0.000 0.525 596 I N 2.096 122.450 120.570 -0.359 0.000 2.545 596 I HA 0.415 4.584 4.170 -0.003 0.000 0.292 596 I C -1.259 174.608 176.117 -0.416 0.000 1.040 596 I CA -0.283 60.858 61.300 -0.265 0.000 1.068 596 I CB 1.348 39.314 38.000 -0.057 0.000 1.251 596 I HN 0.622 nan 8.210 nan 0.000 0.424 597 H N 6.329 125.483 119.070 0.140 0.000 2.689 597 H HA 0.762 5.316 4.556 -0.003 0.000 0.346 597 H C -1.062 174.323 175.328 0.094 0.000 1.037 597 H CA -0.961 55.163 56.048 0.128 0.000 1.234 597 H CB 1.790 31.631 29.762 0.132 0.000 1.572 597 H HN 0.678 nan 8.280 nan 0.000 0.524 598 A N 2.359 125.287 122.820 0.181 0.000 2.331 598 A HA 0.406 4.725 4.320 -0.003 0.000 0.320 598 A C 0.067 177.668 177.584 0.029 0.000 1.138 598 A CA -0.716 51.363 52.037 0.070 0.000 0.790 598 A CB 1.286 20.287 19.000 0.001 0.000 1.206 598 A HN 0.552 nan 8.150 nan 0.000 0.470 599 S N 1.315 117.016 115.700 0.000 0.000 2.430 599 S HA 0.453 4.922 4.470 -0.003 0.000 0.289 599 S C -0.464 174.063 174.600 -0.121 0.000 1.143 599 S CA -0.358 57.827 58.200 -0.025 0.000 1.067 599 S CB -0.497 62.706 63.200 0.006 0.000 0.964 599 S HN 0.753 nan 8.310 nan 0.000 0.485 600 c N 5.574 124.053 118.600 -0.203 0.000 2.340 600 c HA 0.655 5.223 4.570 -0.003 0.000 0.323 600 c C -0.128 173.859 174.090 -0.172 0.000 1.260 600 c CA -0.889 55.198 56.329 -0.403 0.000 1.464 600 c CB -0.518 41.442 42.510 -0.916 0.000 2.156 600 c HN 0.921 nan 8.230 nan 0.000 0.476 601 c N 2.039 120.589 118.600 -0.084 0.000 2.455 601 c HA 0.469 5.037 4.570 -0.003 0.000 0.320 601 c C -0.157 174.041 174.090 0.180 0.000 1.226 601 c CA -0.475 55.891 56.329 0.062 0.000 1.569 601 c CB 0.452 42.985 42.510 0.038 0.000 2.200 601 c HN 0.940 nan 8.230 nan 0.000 0.491 602 H N 1.656 120.785 119.070 0.098 0.000 2.761 602 H HA 0.565 5.119 4.556 -0.002 0.000 0.284 602 H C -0.103 175.237 175.328 0.021 0.000 1.105 602 H CA 0.187 56.279 56.048 0.073 0.000 1.352 602 H CB 0.525 30.312 29.762 0.042 0.000 1.423 602 H HN 0.851 nan 8.280 nan 0.000 0.464 603 A N 6.748 129.426 122.820 -0.238 0.000 2.855 603 A HA 0.316 4.635 4.320 -0.003 0.000 0.313 603 A C -2.252 175.169 177.584 -0.273 0.000 1.173 603 A CA -1.167 50.743 52.037 -0.211 0.000 0.753 603 A CB 0.739 19.687 19.000 -0.086 0.000 1.200 603 A HN 0.573 nan 8.150 nan 0.000 0.442 604 P HA -0.017 nan 4.420 nan 0.000 0.221 604 P C 1.495 178.689 177.300 -0.177 0.000 1.150 604 P CA 1.563 64.480 63.100 -0.305 0.000 0.800 604 P CB 0.291 31.813 31.700 -0.298 0.000 0.787 605 G N -0.906 107.778 108.800 -0.193 0.000 2.882 605 G HA2 0.066 4.025 3.960 -0.003 0.000 0.206 605 G HA3 0.066 4.025 3.960 -0.003 0.000 0.206 605 G C 0.074 174.919 174.900 -0.091 0.000 1.155 605 G CA 0.084 45.090 45.100 -0.156 0.000 0.800 605 G HN 0.188 nan 8.290 nan 0.000 0.524 606 L N 0.285 121.465 121.223 -0.072 0.000 2.313 606 L HA 0.496 4.834 4.340 -0.003 0.000 0.283 606 L C -0.375 176.503 176.870 0.013 0.000 1.013 606 L CA -0.989 53.846 54.840 -0.009 0.000 0.816 606 L CB 2.059 44.121 42.059 0.005 0.000 1.236 606 L HN 0.129 nan 8.230 nan 0.000 0.419 607 E N 3.897 124.112 120.200 0.026 0.000 2.179 607 E HA 0.560 4.908 4.350 -0.003 0.000 0.275 607 E C -1.619 175.123 176.600 0.238 0.000 0.945 607 E CA -0.599 55.863 56.400 0.104 0.000 0.792 607 E CB 1.274 31.026 29.700 0.088 0.000 1.125 607 E HN 0.686 nan 8.360 nan 0.000 0.397 608 c N 3.683 122.439 118.600 0.260 0.000 2.634 608 c HA 0.614 5.183 4.570 -0.003 0.000 0.313 608 c C -0.556 173.646 174.090 0.187 0.000 1.198 608 c CA -0.846 55.655 56.329 0.286 0.000 1.605 608 c CB 1.275 43.878 42.510 0.155 0.000 2.196 608 c HN 0.764 nan 8.230 nan 0.000 0.486 609 K N 0.883 121.323 120.400 0.066 0.000 2.444 609 K HA 0.821 5.140 4.320 -0.003 0.000 0.252 609 K C -1.610 174.937 176.600 -0.089 0.000 0.993 609 K CA -0.664 55.573 56.287 -0.083 0.000 0.847 609 K CB 2.231 34.561 32.500 -0.283 0.000 1.340 609 K HN 0.377 nan 8.250 nan 0.000 0.446 610 V N 1.721 121.587 119.914 -0.080 0.000 2.448 610 V HA 0.364 4.483 4.120 -0.003 0.000 0.295 610 V C -0.599 175.449 176.094 -0.078 0.000 1.025 610 V CA -0.762 61.503 62.300 -0.058 0.000 0.859 610 V CB 1.467 33.276 31.823 -0.024 0.000 0.988 610 V HN 0.617 nan 8.190 nan 0.000 0.431 611 K N 3.692 124.048 120.400 -0.074 0.000 2.292 611 K HA 0.604 4.922 4.320 -0.003 0.000 0.257 611 K C -0.732 175.855 176.600 -0.021 0.000 0.940 611 K CA -0.514 55.732 56.287 -0.069 0.000 0.811 611 K CB 1.778 34.214 32.500 -0.106 0.000 1.120 611 K HN 0.784 nan 8.250 nan 0.000 0.428 612 E N 1.991 122.192 120.200 0.001 0.000 2.227 612 E HA 0.263 4.611 4.350 -0.003 0.000 0.268 612 E C -1.451 175.214 176.600 0.109 0.000 0.907 612 E CA -0.859 55.563 56.400 0.036 0.000 0.786 612 E CB 1.917 31.630 29.700 0.022 0.000 1.191 612 E HN 0.522 nan 8.360 nan 0.000 0.411 613 H N 0.531 119.587 119.070 -0.023 0.000 3.026 613 H HA 0.490 5.044 4.556 -0.002 0.000 0.352 613 H C -1.459 173.861 175.328 -0.013 0.000 1.090 613 H CA -0.625 55.412 56.048 -0.019 0.000 1.268 613 H CB 1.801 31.550 29.762 -0.020 0.000 1.816 613 H HN 0.704 nan 8.280 nan 0.000 0.518 614 G N 4.345 112.920 108.800 -0.376 0.000 2.612 614 G HA2 0.601 4.559 3.960 -0.003 0.000 0.298 614 G HA3 0.601 4.559 3.960 -0.003 0.000 0.298 614 G C -1.056 173.616 174.900 -0.380 0.000 1.336 614 G CA -0.725 44.169 45.100 -0.343 0.000 0.953 614 G HN 0.666 nan 8.290 nan 0.000 0.482 615 I N -1.771 118.646 120.570 -0.255 0.000 3.102 615 I HA 0.614 4.782 4.170 -0.003 0.000 0.310 615 I C -2.702 173.368 176.117 -0.078 0.000 1.246 615 I CA -2.678 58.530 61.300 -0.154 0.000 0.979 615 I CB 1.679 39.590 38.000 -0.147 0.000 1.267 615 I HN 0.247 nan 8.210 nan 0.000 0.451 620 E N 1.684 121.910 120.200 0.042 0.000 2.250 620 E HA -0.003 4.346 4.350 -0.003 0.000 0.192 620 E C -0.047 176.594 176.600 0.067 0.000 0.986 620 E CA 0.714 57.151 56.400 0.062 0.000 0.849 620 E CB 0.713 30.454 29.700 0.070 0.000 0.797 620 E HN 0.481 nan 8.360 nan 0.000 0.482 621 Q N 0.316 120.144 119.800 0.046 0.000 2.313 621 Q HA 0.336 4.674 4.340 -0.003 0.000 0.260 621 Q C -2.168 173.841 176.000 0.014 0.000 0.972 621 Q CA -0.542 55.283 55.803 0.036 0.000 0.886 621 Q CB 2.152 30.922 28.738 0.054 0.000 1.373 621 Q HN 0.062 nan 8.270 nan 0.000 0.416 622 V N 2.674 122.582 119.914 -0.009 0.000 2.815 622 V HA 0.861 4.979 4.120 -0.003 0.000 0.314 622 V C -1.292 174.805 176.094 0.004 0.000 1.064 622 V CA -0.003 62.289 62.300 -0.012 0.000 0.952 622 V CB 2.432 34.208 31.823 -0.079 0.000 1.020 622 V HN 0.894 nan 8.190 nan 0.000 0.439 623 T N 4.104 118.704 114.554 0.077 0.000 2.952 623 T HA 0.601 4.949 4.350 -0.003 0.000 0.305 623 T C -1.693 173.084 174.700 0.128 0.000 1.064 623 T CA -0.275 61.867 62.100 0.071 0.000 1.008 623 T CB 1.558 70.462 68.868 0.060 0.000 1.078 623 T HN 0.857 nan 8.240 nan 0.000 0.459 624 V N 2.609 122.560 119.914 0.062 0.000 2.711 624 V HA 0.849 4.967 4.120 -0.003 0.000 0.304 624 V C -1.161 174.938 176.094 0.009 0.000 1.097 624 V CA -0.470 61.854 62.300 0.040 0.000 0.906 624 V CB 1.627 33.489 31.823 0.066 0.000 1.015 624 V HN 1.121 nan 8.190 nan 0.000 0.427 625 A N 5.333 128.146 122.820 -0.011 0.000 2.337 625 A HA 0.734 5.053 4.320 -0.003 0.000 0.329 625 A C 0.109 177.678 177.584 -0.025 0.000 1.146 625 A CA -0.396 51.638 52.037 -0.004 0.000 0.800 625 A CB 0.993 19.994 19.000 0.001 0.000 1.220 625 A HN 1.022 nan 8.150 nan 0.000 0.472 626 c N 1.666 120.264 118.600 -0.004 0.000 2.700 626 c HA 0.288 4.856 4.570 -0.003 0.000 0.397 626 c C 0.787 174.876 174.090 -0.002 0.000 1.301 626 c CA -0.575 55.742 56.329 -0.021 0.000 2.219 626 c CB -0.447 42.107 42.510 0.073 0.000 2.699 626 c HN 0.797 nan 8.230 nan 0.000 0.669 627 E N 1.117 121.281 120.200 -0.060 0.000 2.373 627 E HA 0.112 4.460 4.350 -0.003 0.000 0.263 627 E C 0.117 176.854 176.600 0.229 0.000 1.073 627 E CA -0.124 56.294 56.400 0.031 0.000 0.894 627 E CB 0.304 29.959 29.700 -0.075 0.000 1.008 627 E HN 0.633 nan 8.360 nan 0.000 0.420 628 E N -0.089 120.217 120.200 0.177 0.000 2.529 628 E HA 0.046 4.394 4.350 -0.003 0.000 0.259 628 E C 0.654 177.383 176.600 0.215 0.000 0.966 628 E CA 0.960 57.457 56.400 0.162 0.000 0.937 628 E CB 0.107 29.869 29.700 0.103 0.000 0.923 628 E HN 0.715 nan 8.360 nan 0.000 0.468 629 G N 3.462 112.335 108.800 0.122 0.000 2.176 629 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.253 629 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.253 629 G C -0.556 174.263 174.900 -0.135 0.000 0.979 629 G CA 0.182 45.270 45.100 -0.021 0.000 0.641 629 G HN 0.517 nan 8.290 nan 0.000 0.530 630 W N 0.400 121.681 121.300 -0.032 0.000 2.570 630 W HA 0.693 5.352 4.660 -0.003 0.000 0.337 630 W C 0.197 176.696 176.519 -0.033 0.000 1.067 630 W CA -0.437 56.888 57.345 -0.033 0.000 1.229 630 W CB 1.642 31.094 29.460 -0.015 0.000 1.355 630 W HN 0.024 nan 8.180 nan 0.000 0.555 631 T N 3.769 118.429 114.554 0.176 0.000 2.770 631 T HA 0.278 4.626 4.350 -0.003 0.000 0.283 631 T C -0.767 174.010 174.700 0.128 0.000 0.988 631 T CA -0.657 61.499 62.100 0.094 0.000 0.957 631 T CB 0.615 69.476 68.868 -0.012 0.000 0.930 631 T HN 0.210 nan 8.240 nan 0.000 0.443 632 L N 4.899 126.187 121.223 0.109 0.000 2.534 632 L HA 0.220 4.558 4.340 -0.003 0.000 0.271 632 L C 1.544 178.462 176.870 0.080 0.000 1.178 632 L CA 0.967 55.861 54.840 0.091 0.000 0.907 632 L CB 0.351 42.455 42.059 0.075 0.000 1.164 632 L HN 0.874 nan 8.230 nan 0.000 0.482 633 T N 0.719 115.320 114.554 0.078 0.000 3.034 633 T HA 0.437 4.785 4.350 -0.003 0.000 0.248 633 T C 0.657 175.389 174.700 0.053 0.000 1.040 633 T CA 0.303 62.443 62.100 0.067 0.000 1.107 633 T CB 0.083 68.994 68.868 0.071 0.000 0.932 633 T HN 0.698 nan 8.240 nan 0.000 0.474 634 G N -0.319 108.510 108.800 0.049 0.000 2.667 634 G HA2 0.537 4.496 3.960 -0.003 0.000 0.298 634 G HA3 0.537 4.496 3.960 -0.003 0.000 0.298 634 G C -1.686 173.235 174.900 0.035 0.000 1.377 634 G CA -0.668 44.456 45.100 0.040 0.000 0.964 634 G HN 0.478 nan 8.290 nan 0.000 0.493 635 c N 1.920 120.539 118.600 0.031 0.000 2.551 635 c HA 0.923 5.491 4.570 -0.003 0.000 0.332 635 c C -0.115 173.990 174.090 0.026 0.000 1.139 635 c CA 0.031 56.373 56.329 0.021 0.000 1.328 635 c CB 0.201 42.718 42.510 0.012 0.000 1.903 635 c HN 1.425 nan 8.230 nan 0.000 0.459 636 S N 4.092 119.807 115.700 0.026 0.000 2.625 636 S HA 0.884 5.352 4.470 -0.003 0.000 0.271 636 S C -0.824 173.795 174.600 0.032 0.000 1.161 636 S CA -0.227 57.999 58.200 0.043 0.000 0.820 636 S CB 1.332 64.569 63.200 0.062 0.000 1.137 636 S HN 2.020 nan 8.310 nan 0.000 0.470 637 A N 1.209 124.057 122.820 0.046 0.000 2.292 637 A HA 0.713 5.031 4.320 -0.003 0.000 0.319 637 A C -0.401 177.206 177.584 0.038 0.000 1.206 637 A CA -0.622 51.434 52.037 0.033 0.000 0.835 637 A CB 0.258 19.280 19.000 0.037 0.000 1.164 637 A HN 0.841 nan 8.150 nan 0.000 0.505 638 L N 3.875 125.110 121.223 0.021 0.000 2.559 638 L HA 0.187 4.525 4.340 -0.003 0.000 0.282 638 L C -1.319 175.564 176.870 0.021 0.000 1.232 638 L CA -0.380 54.471 54.840 0.017 0.000 0.885 638 L CB -0.459 41.602 42.059 0.003 0.000 1.131 638 L HN 0.610 nan 8.230 nan 0.000 0.498 643 H N 3.702 122.781 119.070 0.016 0.000 2.741 643 H HA 0.609 5.163 4.556 -0.002 0.000 0.282 643 H C -0.232 175.127 175.328 0.052 0.000 1.122 643 H CA -0.384 55.678 56.048 0.024 0.000 1.293 643 H CB 0.707 30.482 29.762 0.023 0.000 1.415 643 H HN 0.213 nan 8.280 nan 0.000 0.472 644 V N 4.704 124.459 119.914 -0.264 0.000 2.509 644 V HA 0.145 4.264 4.120 -0.003 0.000 0.284 644 V C 0.307 176.213 176.094 -0.312 0.000 1.047 644 V CA -0.594 61.595 62.300 -0.185 0.000 0.952 644 V CB 1.048 32.861 31.823 -0.016 0.000 0.988 644 V HN 0.654 nan 8.190 nan 0.000 0.469 645 L N 4.824 125.949 121.223 -0.164 0.000 2.156 645 L HA 0.530 4.869 4.340 -0.003 0.000 0.208 645 L C 1.301 178.197 176.870 0.044 0.000 1.095 645 L CA 1.508 56.271 54.840 -0.128 0.000 0.770 645 L CB -1.480 40.540 42.059 -0.064 0.000 0.914 645 L HN 1.228 nan 8.230 nan 0.000 0.439 646 G N -2.481 106.474 108.800 0.259 0.000 2.327 646 G HA2 0.551 4.509 3.960 -0.003 0.000 0.291 646 G HA3 0.551 4.509 3.960 -0.003 0.000 0.291 646 G C -2.025 173.066 174.900 0.319 0.000 1.290 646 G CA -0.128 45.203 45.100 0.384 0.000 0.857 646 G HN 0.294 nan 8.290 nan 0.000 0.520 647 A N -0.857 122.115 122.820 0.253 0.000 2.515 647 A HA 1.031 5.349 4.320 -0.003 0.000 0.298 647 A C -1.236 176.398 177.584 0.082 0.000 1.059 647 A CA -0.464 51.587 52.037 0.025 0.000 0.698 647 A CB 1.516 20.528 19.000 0.021 0.000 1.289 647 A HN 2.232 nan 8.150 nan 0.000 0.404 648 Y N -1.644 118.665 120.300 0.016 0.000 2.565 648 Y HA 0.730 5.278 4.550 -0.003 0.000 0.330 648 Y C -0.180 175.735 175.900 0.024 0.000 1.150 648 Y CA -0.894 57.185 58.100 -0.035 0.000 1.055 648 Y CB 0.892 39.325 38.460 -0.045 0.000 1.337 648 Y HN 1.114 nan 8.280 nan 0.000 0.457 649 A N 1.903 124.828 122.820 0.176 0.000 2.409 649 A HA 0.634 4.953 4.320 -0.003 0.000 0.262 649 A C -0.899 176.830 177.584 0.242 0.000 1.113 649 A CA -0.559 51.567 52.037 0.148 0.000 0.790 649 A CB 0.296 19.358 19.000 0.102 0.000 1.046 649 A HN 0.726 nan 8.150 nan 0.000 0.496 650 V N 4.317 124.352 119.914 0.203 0.000 2.326 650 V HA 0.320 4.438 4.120 -0.003 0.000 0.281 650 V C 0.526 176.699 176.094 0.131 0.000 1.015 650 V CA 0.326 62.743 62.300 0.196 0.000 0.823 650 V CB 0.206 32.149 31.823 0.200 0.000 1.009 650 V HN 1.268 nan 8.190 nan 0.000 0.436 651 D N 4.637 125.111 120.400 0.122 0.000 4.134 651 D HA -0.286 4.352 4.640 -0.003 0.000 0.141 651 D C 0.787 177.145 176.300 0.096 0.000 0.779 651 D CA 2.296 56.356 54.000 0.101 0.000 1.126 651 D CB -0.478 40.373 40.800 0.084 0.000 0.523 651 D HN 0.535 nan 8.370 nan 0.000 0.513 652 N N -0.284 118.467 118.700 0.085 0.000 2.275 652 N HA 0.210 4.948 4.740 -0.003 0.000 0.236 652 N C -0.894 174.654 175.510 0.064 0.000 1.154 652 N CA 0.275 53.373 53.050 0.080 0.000 0.866 652 N CB 0.910 39.451 38.487 0.089 0.000 1.093 652 N HN 0.222 nan 8.380 nan 0.000 0.515 653 T N 0.576 115.168 114.554 0.063 0.000 2.792 653 T HA 0.197 4.545 4.350 -0.003 0.000 0.280 653 T C -0.269 174.455 174.700 0.039 0.000 0.990 653 T CA -0.434 61.694 62.100 0.046 0.000 0.960 653 T CB 1.872 70.769 68.868 0.048 0.000 0.939 653 T HN 0.131 nan 8.240 nan 0.000 0.439 654 c N 5.190 123.799 118.600 0.015 0.000 2.325 654 c HA 0.708 5.277 4.570 -0.003 0.000 0.347 654 c C -0.081 173.967 174.090 -0.071 0.000 1.263 654 c CA -0.271 56.048 56.329 -0.017 0.000 1.806 654 c CB -1.362 41.143 42.510 -0.008 0.000 2.405 654 c HN 0.697 nan 8.230 nan 0.000 0.537 655 V N 7.294 127.089 119.914 -0.198 0.000 2.417 655 V HA 0.492 4.610 4.120 -0.003 0.000 0.291 655 V C -0.077 175.772 176.094 -0.407 0.000 1.024 655 V CA -0.400 61.705 62.300 -0.326 0.000 0.861 655 V CB 1.616 33.123 31.823 -0.526 0.000 0.985 655 V HN 0.745 nan 8.190 nan 0.000 0.436 656 V N 5.948 125.736 119.914 -0.209 0.000 2.459 656 V HA 0.590 4.708 4.120 -0.003 0.000 0.295 656 V C -0.052 176.009 176.094 -0.054 0.000 1.029 656 V CA -0.778 61.449 62.300 -0.121 0.000 0.874 656 V CB 1.908 33.701 31.823 -0.050 0.000 0.985 656 V HN 0.726 nan 8.190 nan 0.000 0.438 657 R N 2.949 123.474 120.500 0.040 0.000 2.445 657 R HA 0.702 5.041 4.340 -0.003 0.000 0.308 657 R C -0.263 176.104 176.300 0.111 0.000 0.961 657 R CA -0.211 55.979 56.100 0.151 0.000 0.862 657 R CB 2.042 32.588 30.300 0.410 0.000 1.144 657 R HN 0.898 nan 8.270 nan 0.000 0.447 658 S N 1.694 117.440 115.700 0.077 0.000 2.704 658 S HA 0.626 5.094 4.470 -0.003 0.000 0.296 658 S C -0.094 174.540 174.600 0.057 0.000 1.138 658 S CA -1.004 57.213 58.200 0.029 0.000 0.875 658 S CB 2.537 65.749 63.200 0.020 0.000 1.151 658 S HN 0.539 nan 8.310 nan 0.000 0.500 672 V N 1.733 121.623 119.914 -0.041 0.000 2.567 672 V HA 0.750 4.869 4.120 -0.003 0.000 0.289 672 V C 0.344 176.396 176.094 -0.070 0.000 1.049 672 V CA 0.005 62.281 62.300 -0.039 0.000 0.969 672 V CB 1.735 33.542 31.823 -0.026 0.000 0.995 672 V HN 0.926 nan 8.190 nan 0.000 0.471 673 T N 3.676 118.199 114.554 -0.052 0.000 2.937 673 T HA 0.614 4.962 4.350 -0.003 0.000 0.297 673 T C -0.190 174.490 174.700 -0.033 0.000 0.991 673 T CA -0.256 61.808 62.100 -0.061 0.000 0.990 673 T CB 1.482 70.324 68.868 -0.042 0.000 0.991 673 T HN 0.932 nan 8.240 nan 0.000 0.440 674 A N 2.974 125.774 122.820 -0.033 0.000 2.331 674 A HA 0.740 5.058 4.320 -0.003 0.000 0.283 674 A C -0.298 177.293 177.584 0.012 0.000 1.142 674 A CA -0.448 51.585 52.037 -0.007 0.000 0.812 674 A CB 0.427 19.427 19.000 -0.000 0.000 1.074 674 A HN 0.682 nan 8.150 nan 0.000 0.497 675 V N 1.814 121.734 119.914 0.010 0.000 2.482 675 V HA 0.627 4.746 4.120 -0.003 0.000 0.295 675 V C 0.246 176.347 176.094 0.011 0.000 1.026 675 V CA -0.281 62.026 62.300 0.012 0.000 0.856 675 V CB 1.287 33.119 31.823 0.014 0.000 1.001 675 V HN 1.203 nan 8.190 nan 0.000 0.424 676 A N 6.136 128.959 122.820 0.005 0.000 2.304 676 A HA 0.892 5.210 4.320 -0.003 0.000 0.323 676 A C -0.637 176.947 177.584 0.000 0.000 1.195 676 A CA -0.533 51.507 52.037 0.005 0.000 0.826 676 A CB 0.725 19.724 19.000 -0.001 0.000 1.184 676 A HN 0.788 nan 8.150 nan 0.000 0.496 677 I N 1.847 122.428 120.570 0.018 0.000 2.321 677 I HA 0.301 4.470 4.170 -0.003 0.000 0.291 677 I C -0.682 175.467 176.117 0.053 0.000 0.998 677 I CA -0.256 61.060 61.300 0.027 0.000 1.227 677 I CB 1.206 39.227 38.000 0.036 0.000 1.368 677 I HN 0.530 nan 8.210 nan 0.000 0.466 678 c N 5.329 123.967 118.600 0.063 0.000 2.408 678 c HA 0.685 5.254 4.570 -0.003 0.000 0.321 678 c C 0.016 174.325 174.090 0.364 0.000 1.245 678 c CA -0.725 55.699 56.329 0.158 0.000 1.523 678 c CB 0.603 43.137 42.510 0.039 0.000 2.178 678 c HN 0.814 nan 8.230 nan 0.000 0.488 679 c N 2.395 121.234 118.600 0.399 0.000 2.971 679 c HA 0.987 5.556 4.570 -0.003 0.000 0.310 679 c C -0.169 173.998 174.090 0.129 0.000 1.285 679 c CA -0.738 55.798 56.329 0.346 0.000 1.593 679 c CB 1.849 44.463 42.510 0.173 0.000 2.076 679 c HN 1.091 nan 8.230 nan 0.000 0.472 680 R N -0.047 120.370 120.500 -0.140 0.000 2.734 680 R HA 0.666 5.004 4.340 -0.003 0.000 0.271 680 R C -0.871 175.334 176.300 -0.158 0.000 1.021 680 R CA -0.261 55.638 56.100 -0.335 0.000 0.893 680 R CB 1.204 30.993 30.300 -0.852 0.000 1.244 680 R HN 0.583 nan 8.270 nan 0.000 0.464 681 S N 0.323 115.988 115.700 -0.058 0.000 2.549 681 S HA 0.087 4.555 4.470 -0.003 0.000 0.286 681 S C 0.074 174.639 174.600 -0.059 0.000 1.314 681 S CA -0.345 57.929 58.200 0.123 0.000 1.062 681 S CB 0.355 63.716 63.200 0.269 0.000 0.865 681 S HN 0.544 nan 8.310 nan 0.000 0.498 682 R N 0.000 120.477 120.500 -0.038 0.000 2.786 682 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 682 R CA 0.000 56.060 56.100 -0.067 0.000 0.921 682 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 682 R HN 0.000 nan 8.270 nan 0.000 0.535