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 3h42_1_B DATA FIRST_RESID 153 DATA SEQUENCE SIPWNLERIT PPRYXXXXYX XXXXXXLVEV YLLDTSIQSD HREIEGRVMV DATA SEQUENCE TDFENVPEED GTRFHRQASK 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 ALPPSTHXXX DATA SEQUENCE WQLFcRTVWS AHSGPTRMAT AIARcAPDEE LLScSSFSRS GKRRGERMEA DATA SEQUENCE QGGKLVcRAH NAFGGEGVYA IARccLLPQA AcSVHTAPPA EASMGTRVHc DATA SEQUENCE HQQGHVLTGc SSHWEVEDLX XXXXXXXXXX XXPNQcVGHR EASIHASccH DATA SEQUENCE APGLEcKVKE HGIPAPQGQV TVAcEEGWTL TGcSALPGTS 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 0.000 174.585 174.600 -0.025 0.000 1.055 153 S CA 0.000 58.190 58.200 -0.018 0.000 1.107 153 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 154 I N 3.848 124.412 120.570 -0.009 0.000 2.354 154 I HA 0.565 4.736 4.170 0.003 0.000 0.292 154 I C -2.535 173.579 176.117 -0.004 0.000 0.989 154 I CA -2.317 58.973 61.300 -0.018 0.000 1.188 154 I CB 0.521 38.513 38.000 -0.012 0.000 1.342 154 I HN 0.026 nan 8.210 nan 0.000 0.457 155 P HA -0.036 nan 4.420 nan 0.000 0.265 155 P C 1.158 178.430 177.300 -0.047 0.000 1.193 155 P CA -0.188 62.894 63.100 -0.030 0.000 0.765 155 P CB 0.323 31.965 31.700 -0.096 0.000 0.823 156 W N 5.264 126.559 121.300 -0.008 0.000 2.350 156 W HA -0.214 4.446 4.660 0.001 0.000 0.289 156 W C 0.975 177.483 176.519 -0.018 0.000 1.215 156 W CA 1.550 58.885 57.345 -0.016 0.000 1.236 156 W CB -1.400 28.047 29.460 -0.021 0.000 1.130 156 W HN 0.349 nan 8.180 nan 0.000 0.541 157 N N 1.743 119.661 118.700 -1.304 0.000 2.270 157 N HA -0.157 4.585 4.740 0.003 0.000 0.181 157 N C 1.927 177.129 175.510 -0.513 0.000 1.016 157 N CA 1.335 53.555 53.050 -1.382 0.000 0.870 157 N CB -1.127 36.526 38.487 -1.389 0.000 0.979 157 N HN 0.307 nan 8.380 nan 0.000 0.431 158 L N 1.052 122.089 121.223 -0.310 0.000 2.109 158 L HA -0.033 4.308 4.340 0.003 0.000 0.207 158 L C 2.807 179.585 176.870 -0.153 0.000 1.086 158 L CA 1.155 55.891 54.840 -0.174 0.000 0.760 158 L CB -0.473 41.503 42.059 -0.139 0.000 0.910 158 L HN 0.290 nan 8.230 nan 0.000 0.437 159 E N 0.998 121.127 120.200 -0.118 0.000 2.106 159 E HA -0.286 4.066 4.350 0.003 0.000 0.192 159 E C 2.226 178.791 176.600 -0.058 0.000 0.984 159 E CA 1.147 57.509 56.400 -0.063 0.000 0.806 159 E CB 0.078 29.782 29.700 0.006 0.000 0.750 159 E HN 0.197 nan 8.360 nan 0.000 0.458 160 R N 1.475 121.935 120.500 -0.066 0.000 2.092 160 R HA -0.054 4.288 4.340 0.003 0.000 0.231 160 R C 2.510 178.777 176.300 -0.055 0.000 1.119 160 R CA 1.648 57.738 56.100 -0.016 0.000 0.970 160 R CB -0.732 29.579 30.300 0.019 0.000 0.864 160 R HN 0.517 nan 8.270 nan 0.000 0.440 161 I N -2.400 118.105 120.570 -0.109 0.000 3.428 161 I HA 0.157 4.329 4.170 0.003 0.000 0.286 161 I C -0.230 175.808 176.117 -0.130 0.000 1.287 161 I CA 0.285 61.528 61.300 -0.094 0.000 1.396 161 I CB -0.133 37.816 38.000 -0.085 0.000 1.062 161 I HN -0.191 nan 8.210 nan 0.000 0.471 162 T N 5.772 120.222 114.554 -0.173 0.000 2.729 162 T HA 0.334 4.685 4.350 0.003 0.000 0.296 162 T C -2.087 172.536 174.700 -0.127 0.000 0.928 162 T CA -0.871 61.066 62.100 -0.272 0.000 1.045 162 T CB 0.812 69.480 68.868 -0.335 0.000 0.902 162 T HN 0.251 nan 8.240 nan 0.000 0.500 163 P HA 0.259 nan 4.420 nan 0.000 0.274 163 P C -2.023 175.319 177.300 0.070 0.000 1.256 163 P CA -1.463 61.657 63.100 0.034 0.000 0.795 163 P CB 0.289 32.041 31.700 0.086 0.000 1.038 164 P HA -0.077 nan 4.420 nan 0.000 0.213 164 P C 0.768 178.134 177.300 0.110 0.000 1.170 164 P CA 1.446 64.595 63.100 0.082 0.000 0.898 164 P CB 0.067 31.809 31.700 0.070 0.000 0.787 165 R N -0.182 120.388 120.500 0.117 0.000 2.870 165 R HA 0.227 4.569 4.340 0.003 0.000 0.254 165 R C -0.680 175.716 176.300 0.161 0.000 1.392 165 R CA -0.543 55.624 56.100 0.111 0.000 1.322 165 R CB -1.628 28.720 30.300 0.081 0.000 1.205 165 R HN 0.290 nan 8.270 nan 0.000 0.597 180 V N 1.454 121.366 119.914 -0.003 0.000 2.532 180 V HA 0.484 4.605 4.120 0.003 0.000 0.295 180 V C -0.633 175.452 176.094 -0.014 0.000 1.041 180 V CA -0.064 62.236 62.300 0.001 0.000 0.926 180 V CB 1.810 33.634 31.823 0.000 0.000 0.992 180 V HN 0.330 nan 8.190 nan 0.000 0.457 181 E N 3.642 123.841 120.200 -0.001 0.000 2.171 181 E HA 0.601 4.953 4.350 0.003 0.000 0.271 181 E C -1.368 175.217 176.600 -0.025 0.000 0.916 181 E CA -0.494 55.876 56.400 -0.051 0.000 0.774 181 E CB 2.032 31.689 29.700 -0.071 0.000 1.128 181 E HN 0.621 nan 8.360 nan 0.000 0.403 182 V N 5.180 125.040 119.914 -0.090 0.000 2.347 182 V HA 0.269 4.390 4.120 0.003 0.000 0.280 182 V C -0.868 175.169 176.094 -0.095 0.000 1.021 182 V CA -0.647 61.633 62.300 -0.034 0.000 0.847 182 V CB 0.311 32.106 31.823 -0.046 0.000 0.990 182 V HN 0.635 nan 8.190 nan 0.000 0.444 183 Y N 4.717 125.010 120.300 -0.011 0.000 2.308 183 Y HA 0.586 5.138 4.550 0.003 0.000 0.329 183 Y C -0.024 175.865 175.900 -0.018 0.000 1.111 183 Y CA -0.594 57.502 58.100 -0.006 0.000 1.179 183 Y CB 1.594 40.056 38.460 0.002 0.000 1.201 183 Y HN 0.544 nan 8.280 nan 0.000 0.483 184 L N 4.918 126.206 121.223 0.107 0.000 2.319 184 L HA 0.556 4.898 4.340 0.003 0.000 0.281 184 L C -1.753 175.155 176.870 0.063 0.000 1.005 184 L CA -0.642 54.231 54.840 0.057 0.000 0.828 184 L CB 0.740 42.805 42.059 0.009 0.000 1.227 184 L HN 0.466 nan 8.230 nan 0.000 0.415 185 L N 6.035 127.288 121.223 0.050 0.000 2.264 185 L HA 0.622 4.963 4.340 0.003 0.000 0.287 185 L C -0.202 176.702 176.870 0.057 0.000 1.039 185 L CA 0.302 55.164 54.840 0.037 0.000 0.829 185 L CB 0.838 42.900 42.059 0.006 0.000 1.211 185 L HN 0.769 nan 8.230 nan 0.000 0.427 186 D N -0.506 119.936 120.400 0.070 0.000 3.650 186 D HA 0.360 5.001 4.640 0.003 0.000 0.341 186 D C -0.302 176.051 176.300 0.088 0.000 1.479 186 D CA 0.022 54.082 54.000 0.100 0.000 0.963 186 D CB 0.895 41.770 40.800 0.126 0.000 1.449 186 D HN 0.418 nan 8.370 nan 0.000 0.601 187 T N -1.007 113.615 114.554 0.113 0.000 2.732 187 T HA 0.472 4.823 4.350 0.003 0.000 0.287 187 T C 0.572 175.307 174.700 0.058 0.000 0.993 187 T CA -0.226 61.919 62.100 0.075 0.000 0.966 187 T CB 0.529 69.452 68.868 0.093 0.000 1.047 187 T HN 0.455 nan 8.240 nan 0.000 0.527 188 S N 0.367 116.092 115.700 0.042 0.000 2.569 188 S HA 0.365 4.836 4.470 0.003 0.000 0.274 188 S C 0.358 174.977 174.600 0.032 0.000 1.353 188 S CA -0.739 57.480 58.200 0.032 0.000 1.023 188 S CB -0.601 62.615 63.200 0.027 0.000 0.876 188 S HN 1.003 nan 8.310 nan 0.000 0.540 189 I N -2.121 118.460 120.570 0.019 0.000 2.957 189 I HA 0.622 4.794 4.170 0.003 0.000 0.310 189 I C -0.722 175.399 176.117 0.007 0.000 1.063 189 I CA -1.340 59.964 61.300 0.006 0.000 1.033 189 I CB 2.001 39.995 38.000 -0.011 0.000 1.230 189 I HN 0.527 nan 8.210 nan 0.000 0.447 190 Q N 2.464 122.265 119.800 0.003 0.000 2.503 190 Q HA 0.278 4.620 4.340 0.003 0.000 0.227 190 Q C 0.449 176.464 176.000 0.024 0.000 1.109 190 Q CA -0.036 55.778 55.803 0.020 0.000 0.922 190 Q CB 0.805 29.565 28.738 0.037 0.000 1.249 190 Q HN 0.804 nan 8.270 nan 0.000 0.530 191 S N 1.724 117.433 115.700 0.015 0.000 2.522 191 S HA -0.036 4.436 4.470 0.003 0.000 0.227 191 S C 0.554 175.164 174.600 0.017 0.000 0.986 191 S CA 0.515 58.721 58.200 0.009 0.000 0.929 191 S CB 0.166 63.367 63.200 0.001 0.000 0.769 191 S HN 0.552 nan 8.310 nan 0.000 0.529 192 D N 0.890 121.303 120.400 0.022 0.000 2.355 192 D HA 0.030 4.672 4.640 0.003 0.000 0.218 192 D C 0.531 176.833 176.300 0.004 0.000 1.004 192 D CA 0.333 54.337 54.000 0.007 0.000 0.880 192 D CB -0.400 40.397 40.800 -0.004 0.000 0.911 192 D HN 0.526 nan 8.370 nan 0.000 0.528 193 H N 1.646 120.680 119.070 -0.060 0.000 2.815 193 H HA 0.029 4.586 4.556 0.003 0.000 0.350 193 H C 1.426 176.705 175.328 -0.083 0.000 1.080 193 H CA 0.285 56.281 56.048 -0.087 0.000 1.433 193 H CB 0.937 30.624 29.762 -0.125 0.000 1.432 193 H HN -0.107 nan 8.280 nan 0.000 0.592 194 R N 2.893 123.183 120.500 -0.350 0.000 2.193 194 R HA -0.111 4.231 4.340 0.003 0.000 0.229 194 R C 1.255 177.587 176.300 0.053 0.000 1.110 194 R CA 0.806 56.830 56.100 -0.127 0.000 0.988 194 R CB 0.193 30.386 30.300 -0.179 0.000 0.871 194 R HN 0.685 nan 8.270 nan 0.000 0.458 195 E N 0.378 120.741 120.200 0.272 0.000 2.152 195 E HA -0.119 4.233 4.350 0.003 0.000 0.192 195 E C 1.769 178.400 176.600 0.052 0.000 0.983 195 E CA 1.299 57.790 56.400 0.152 0.000 0.818 195 E CB 0.149 29.873 29.700 0.039 0.000 0.758 195 E HN 0.601 nan 8.360 nan 0.000 0.467 196 I N -2.720 117.881 120.570 0.051 0.000 4.439 196 I HA 0.280 4.451 4.170 0.003 0.000 0.331 196 I C 0.645 176.761 176.117 -0.002 0.000 1.345 196 I CA -0.384 60.914 61.300 -0.005 0.000 1.193 196 I CB 0.264 38.239 38.000 -0.041 0.000 1.221 196 I HN -0.245 nan 8.210 nan 0.000 0.429 197 E N 2.711 122.919 120.200 0.012 0.000 2.529 197 E HA 0.167 4.519 4.350 0.003 0.000 0.259 197 E C 1.370 177.965 176.600 -0.008 0.000 0.966 197 E CA 1.367 57.767 56.400 -0.000 0.000 0.937 197 E CB 0.320 30.016 29.700 -0.006 0.000 0.923 197 E HN 0.568 nan 8.360 nan 0.000 0.468 198 G N 4.665 113.458 108.800 -0.011 0.000 2.212 198 G HA2 -0.295 3.667 3.960 0.003 0.000 0.266 198 G HA3 -0.295 3.667 3.960 0.003 0.000 0.266 198 G C 0.968 175.857 174.900 -0.019 0.000 0.978 198 G CA 0.497 45.589 45.100 -0.013 0.000 0.632 198 G HN 0.563 nan 8.290 nan 0.000 0.537 199 R N -0.492 119.993 120.500 -0.024 0.000 2.316 199 R HA 0.320 4.662 4.340 0.003 0.000 0.201 199 R C 1.091 177.363 176.300 -0.047 0.000 0.888 199 R CA 1.142 57.221 56.100 -0.034 0.000 1.041 199 R CB 0.092 30.371 30.300 -0.034 0.000 1.115 199 R HN 0.991 nan 8.270 nan 0.000 0.559 200 V N -0.595 119.293 119.914 -0.043 0.000 2.459 200 V HA 0.562 4.683 4.120 0.003 0.000 0.295 200 V C 0.074 176.144 176.094 -0.040 0.000 1.029 200 V CA -0.905 61.363 62.300 -0.053 0.000 0.874 200 V CB 2.043 33.834 31.823 -0.054 0.000 0.985 200 V HN -0.040 nan 8.190 nan 0.000 0.438 201 M N 5.274 124.846 119.600 -0.047 0.000 2.238 201 M HA 0.557 5.039 4.480 0.003 0.000 0.350 201 M C -1.183 175.110 176.300 -0.012 0.000 1.138 201 M CA -0.513 54.772 55.300 -0.024 0.000 1.040 201 M CB 1.828 34.416 32.600 -0.021 0.000 1.639 201 M HN 0.652 nan 8.290 nan 0.000 0.451 202 V N 5.165 125.082 119.914 0.005 0.000 2.405 202 V HA 0.146 4.267 4.120 0.003 0.000 0.264 202 V C 0.907 177.025 176.094 0.040 0.000 1.048 202 V CA -0.347 61.963 62.300 0.017 0.000 0.966 202 V CB 0.374 32.205 31.823 0.013 0.000 1.015 202 V HN 0.986 nan 8.190 nan 0.000 0.477 203 T N 1.184 115.775 114.554 0.062 0.000 2.748 203 T HA 0.091 4.443 4.350 0.003 0.000 0.304 203 T C 0.661 175.399 174.700 0.064 0.000 1.041 203 T CA -0.021 62.146 62.100 0.112 0.000 1.033 203 T CB 0.668 69.629 68.868 0.154 0.000 0.995 203 T HN 0.776 nan 8.240 nan 0.000 0.536 204 D N -0.926 119.527 120.400 0.088 0.000 2.336 204 D HA 0.109 4.751 4.640 0.003 0.000 0.228 204 D C -0.169 176.103 176.300 -0.047 0.000 1.120 204 D CA -0.628 53.390 54.000 0.030 0.000 0.839 204 D CB -0.677 40.155 40.800 0.054 0.000 0.932 204 D HN 0.462 nan 8.370 nan 0.000 0.509 205 F N 2.499 122.288 119.950 -0.269 0.000 2.467 205 F HA 0.271 4.800 4.527 0.002 0.000 0.362 205 F C 0.148 175.815 175.800 -0.223 0.000 1.090 205 F CA -0.513 57.254 58.000 -0.390 0.000 1.202 205 F CB 0.584 39.044 39.000 -0.899 0.000 1.113 205 F HN 0.078 nan 8.300 nan 0.000 0.541 206 E N 3.916 123.588 120.200 -0.879 0.000 2.321 206 E HA 0.298 4.649 4.350 0.003 0.000 0.281 206 E C -2.065 174.124 176.600 -0.685 0.000 0.910 206 E CA -1.078 54.981 56.400 -0.569 0.000 0.770 206 E CB 1.403 30.962 29.700 -0.235 0.000 1.225 206 E HN 0.645 nan 8.360 nan 0.000 0.417 207 N N 2.668 121.126 118.700 -0.403 0.000 2.621 207 N HA 0.351 5.093 4.740 0.003 0.000 0.271 207 N C -1.772 173.701 175.510 -0.062 0.000 1.181 207 N CA -0.519 52.396 53.050 -0.224 0.000 0.805 207 N CB 1.849 40.251 38.487 -0.141 0.000 1.351 207 N HN 0.540 nan 8.380 nan 0.000 0.539 208 V N 1.120 120.989 119.914 -0.076 0.000 2.925 208 V HA 0.789 4.911 4.120 0.003 0.000 0.311 208 V C -2.397 173.661 176.094 -0.060 0.000 1.104 208 V CA -1.740 60.529 62.300 -0.051 0.000 0.954 208 V CB 1.566 33.355 31.823 -0.056 0.000 1.022 208 V HN 0.368 nan 8.190 nan 0.000 0.427 209 P HA 0.266 nan 4.420 nan 0.000 0.272 209 P C -0.162 177.086 177.300 -0.087 0.000 1.223 209 P CA -0.160 62.904 63.100 -0.061 0.000 0.784 209 P CB 0.683 32.353 31.700 -0.051 0.000 0.923 210 E N 0.899 121.049 120.200 -0.083 0.000 2.481 210 E HA -0.061 4.291 4.350 0.003 0.000 0.263 210 E C -0.064 176.445 176.600 -0.151 0.000 0.992 210 E CA 0.185 56.522 56.400 -0.105 0.000 0.938 210 E CB 0.368 30.026 29.700 -0.069 0.000 0.933 210 E HN 0.339 nan 8.360 nan 0.000 0.453 211 E N 1.680 121.725 120.200 -0.259 0.000 2.422 211 E HA -0.055 4.296 4.350 0.003 0.000 0.260 211 E C -0.598 175.900 176.600 -0.169 0.000 1.108 211 E CA 0.114 56.305 56.400 -0.348 0.000 0.943 211 E CB 0.382 29.547 29.700 -0.890 0.000 0.961 211 E HN 0.287 nan 8.360 nan 0.000 0.443 212 D N 1.147 121.487 120.400 -0.100 0.000 2.359 212 D HA 0.080 4.722 4.640 0.003 0.000 0.250 212 D C 1.047 177.387 176.300 0.066 0.000 1.264 212 D CA 0.118 54.113 54.000 -0.009 0.000 0.911 212 D CB 0.595 41.403 40.800 0.012 0.000 1.056 212 D HN 0.489 nan 8.370 nan 0.000 0.499 213 G N 2.630 111.472 108.800 0.070 0.000 2.470 213 G HA2 -0.265 3.696 3.960 0.003 0.000 0.220 213 G HA3 -0.265 3.696 3.960 0.003 0.000 0.220 213 G C 1.433 176.406 174.900 0.121 0.000 1.121 213 G CA 1.237 46.416 45.100 0.132 0.000 0.766 213 G HN 0.599 nan 8.290 nan 0.000 0.553 214 T N -2.138 112.470 114.554 0.091 0.000 3.035 214 T HA 0.080 4.431 4.350 0.003 0.000 0.268 214 T C 1.986 176.766 174.700 0.133 0.000 1.109 214 T CA 0.612 62.762 62.100 0.083 0.000 1.119 214 T CB -0.034 68.870 68.868 0.059 0.000 0.900 214 T HN 0.334 nan 8.240 nan 0.000 0.503 215 R N -0.819 119.787 120.500 0.176 0.000 2.535 215 R HA 0.376 4.717 4.340 0.003 0.000 0.323 215 R C -0.733 175.781 176.300 0.356 0.000 0.979 215 R CA -0.404 55.828 56.100 0.220 0.000 1.120 215 R CB 0.490 30.875 30.300 0.141 0.000 1.306 215 R HN 0.440 nan 8.270 nan 0.000 0.540 216 F N 1.799 121.852 119.950 0.172 0.000 2.411 216 F HA 0.324 4.853 4.527 0.003 0.000 0.352 216 F C -0.192 175.723 175.800 0.190 0.000 1.123 216 F CA -0.559 57.537 58.000 0.159 0.000 1.044 216 F CB 0.699 39.735 39.000 0.060 0.000 1.135 216 F HN 0.012 nan 8.300 nan 0.000 0.461 217 H N 6.384 125.147 119.070 -0.512 0.000 2.786 217 H HA 0.167 4.725 4.556 0.003 0.000 0.284 217 H C 0.843 175.736 175.328 -0.725 0.000 1.104 217 H CA -0.652 55.106 56.048 -0.483 0.000 1.339 217 H CB 1.414 31.044 29.762 -0.221 0.000 1.427 217 H HN 0.714 nan 8.280 nan 0.000 0.497 218 R N 1.946 121.971 120.500 -0.792 0.000 2.105 218 R HA -0.150 4.191 4.340 0.003 0.000 0.239 218 R C 1.655 177.801 176.300 -0.255 0.000 1.135 218 R CA 1.687 57.401 56.100 -0.643 0.000 0.967 218 R CB 0.109 30.218 30.300 -0.318 0.000 0.861 218 R HN 0.597 nan 8.270 nan 0.000 0.442 219 Q N -0.922 118.779 119.800 -0.166 0.000 2.224 219 Q HA -0.042 4.300 4.340 0.003 0.000 0.203 219 Q C 1.787 177.752 176.000 -0.058 0.000 0.970 219 Q CA 1.442 57.198 55.803 -0.079 0.000 0.865 219 Q CB 0.092 28.798 28.738 -0.052 0.000 0.922 219 Q HN 0.512 nan 8.270 nan 0.000 0.445 220 A N 0.469 123.247 122.820 -0.069 0.000 2.095 220 A HA 0.043 4.365 4.320 0.003 0.000 0.212 220 A C 1.303 178.865 177.584 -0.037 0.000 1.162 220 A CA -0.014 51.995 52.037 -0.047 0.000 0.753 220 A CB 0.232 19.199 19.000 -0.055 0.000 0.840 220 A HN 0.171 nan 8.150 nan 0.000 0.468 221 S N 0.544 116.210 115.700 -0.057 0.000 2.549 221 S HA 0.263 4.735 4.470 0.003 0.000 0.283 221 S C -0.180 174.453 174.600 0.055 0.000 1.320 221 S CA -0.232 57.983 58.200 0.025 0.000 1.058 221 S CB 0.120 63.374 63.200 0.090 0.000 0.882 221 S HN 0.356 nan 8.310 nan 0.000 0.498 222 K N 4.592 125.033 120.400 0.069 0.000 2.296 222 K HA 0.309 4.631 4.320 0.003 0.000 0.257 222 K C 0.414 177.065 176.600 0.085 0.000 1.088 222 K CA -0.484 55.842 56.287 0.064 0.000 0.980 222 K CB 0.156 32.685 32.500 0.048 0.000 1.430 222 K HN 0.610 nan 8.250 nan 0.000 0.441 223 c N 1.347 120.006 118.600 0.098 0.000 2.432 223 c HA -0.062 4.510 4.570 0.003 0.000 0.282 223 c C 1.319 175.453 174.090 0.073 0.000 1.388 223 c CA 0.568 56.957 56.329 0.100 0.000 1.777 223 c CB -0.417 42.159 42.510 0.109 0.000 1.882 223 c HN 0.763 nan 8.230 nan 0.000 0.520 224 D N -0.006 120.431 120.400 0.062 0.000 2.350 224 D HA -0.003 4.639 4.640 0.003 0.000 0.213 224 D C 2.079 178.411 176.300 0.054 0.000 1.031 224 D CA 0.535 54.566 54.000 0.050 0.000 0.861 224 D CB -0.213 40.608 40.800 0.035 0.000 0.926 224 D HN 0.431 nan 8.370 nan 0.000 0.520 225 S N -0.085 115.655 115.700 0.067 0.000 2.359 225 S HA -0.248 4.223 4.470 0.003 0.000 0.224 225 S C 1.879 176.533 174.600 0.090 0.000 1.035 225 S CA 1.222 59.461 58.200 0.064 0.000 1.018 225 S CB -0.231 63.006 63.200 0.062 0.000 0.876 225 S HN 0.394 nan 8.310 nan 0.000 0.448 226 H N -0.112 118.962 119.070 0.008 0.000 2.333 226 H HA 0.025 4.582 4.556 0.003 0.000 0.302 226 H C 2.285 177.630 175.328 0.029 0.000 1.075 226 H CA 1.509 57.562 56.048 0.008 0.000 1.348 226 H CB -0.768 28.994 29.762 0.001 0.000 1.393 226 H HN 0.545 nan 8.280 nan 0.000 0.509 227 G N -0.434 108.417 108.800 0.086 0.000 2.402 227 G HA2 -0.220 3.741 3.960 0.003 0.000 0.216 227 G HA3 -0.220 3.741 3.960 0.003 0.000 0.216 227 G C 1.743 176.615 174.900 -0.047 0.000 1.162 227 G CA 1.145 46.250 45.100 0.008 0.000 0.777 227 G HN 0.388 nan 8.290 nan 0.000 0.539 228 T N -0.127 114.406 114.554 -0.036 0.000 2.746 228 T HA -0.146 4.206 4.350 0.003 0.000 0.267 228 T C 2.036 176.646 174.700 -0.151 0.000 1.039 228 T CA 1.299 63.340 62.100 -0.098 0.000 1.142 228 T CB -0.401 68.406 68.868 -0.102 0.000 0.866 228 T HN 0.429 nan 8.240 nan 0.000 0.444 229 H N 0.938 119.892 119.070 -0.194 0.000 2.389 229 H HA 0.065 4.622 4.556 0.002 0.000 0.299 229 H C 2.170 177.377 175.328 -0.202 0.000 1.081 229 H CA 1.084 57.010 56.048 -0.202 0.000 1.345 229 H CB -0.266 29.403 29.762 -0.155 0.000 1.393 229 H HN 0.312 nan 8.280 nan 0.000 0.520 230 L N 0.077 121.231 121.223 -0.115 0.000 2.072 230 L HA -0.078 4.264 4.340 0.003 0.000 0.205 230 L C 3.120 179.883 176.870 -0.178 0.000 1.079 230 L CA 0.835 55.583 54.840 -0.153 0.000 0.752 230 L CB -0.542 41.413 42.059 -0.172 0.000 0.906 230 L HN 0.241 nan 8.230 nan 0.000 0.436 231 A N 0.490 123.215 122.820 -0.158 0.000 1.908 231 A HA -0.157 4.165 4.320 0.003 0.000 0.218 231 A C 2.388 179.861 177.584 -0.186 0.000 1.181 231 A CA 1.851 53.800 52.037 -0.147 0.000 0.627 231 A CB -1.251 17.677 19.000 -0.120 0.000 0.818 231 A HN 0.444 nan 8.150 nan 0.000 0.445 232 G N -0.702 107.947 108.800 -0.252 0.000 2.418 232 G HA2 -0.092 3.870 3.960 0.003 0.000 0.217 232 G HA3 -0.092 3.870 3.960 0.003 0.000 0.217 232 G C 1.486 176.222 174.900 -0.274 0.000 1.158 232 G CA 1.183 46.117 45.100 -0.278 0.000 0.771 232 G HN 0.328 nan 8.290 nan 0.000 0.545 233 V N 0.448 120.155 119.914 -0.345 0.000 2.407 233 V HA -0.155 3.966 4.120 0.003 0.000 0.248 233 V C 2.982 178.882 176.094 -0.324 0.000 1.055 233 V CA 1.411 63.493 62.300 -0.364 0.000 1.049 233 V CB -0.219 31.373 31.823 -0.384 0.000 0.662 233 V HN 0.253 nan 8.190 nan 0.000 0.455 234 V N 0.633 120.400 119.914 -0.246 0.000 2.323 234 V HA -0.108 4.013 4.120 0.003 0.000 0.244 234 V C 1.903 177.899 176.094 -0.164 0.000 1.041 234 V CA 2.172 64.355 62.300 -0.196 0.000 1.025 234 V CB -0.127 31.610 31.823 -0.143 0.000 0.656 234 V HN 0.745 nan 8.190 nan 0.000 0.451 235 S N -1.179 114.434 115.700 -0.144 0.000 2.960 235 S HA 0.338 4.809 4.470 0.003 0.000 0.256 235 S C 0.773 175.320 174.600 -0.088 0.000 1.017 235 S CA 0.153 58.288 58.200 -0.109 0.000 1.144 235 S CB 0.187 63.331 63.200 -0.094 0.000 1.109 235 S HN 0.503 nan 8.310 nan 0.000 0.638 236 G N 2.392 111.133 108.800 -0.099 0.000 2.432 236 G HA2 0.308 4.270 3.960 0.003 0.000 0.239 236 G HA3 0.308 4.270 3.960 0.003 0.000 0.239 236 G C 0.873 175.764 174.900 -0.014 0.000 1.291 236 G CA -0.677 44.392 45.100 -0.052 0.000 0.863 236 G HN 0.580 nan 8.290 nan 0.000 0.560 237 R N 0.734 121.246 120.500 0.021 0.000 2.148 237 R HA 0.007 4.349 4.340 0.003 0.000 0.223 237 R C 0.474 176.793 176.300 0.031 0.000 1.088 237 R CA 1.394 57.507 56.100 0.021 0.000 0.985 237 R CB 0.077 30.393 30.300 0.028 0.000 0.880 237 R HN 0.408 nan 8.270 nan 0.000 0.451 238 D N 0.763 121.207 120.400 0.075 0.000 2.431 238 D HA 0.126 4.767 4.640 0.003 0.000 0.235 238 D C 1.201 177.508 176.300 0.011 0.000 0.980 238 D CA 1.299 55.329 54.000 0.049 0.000 0.912 238 D CB 0.340 41.187 40.800 0.079 0.000 1.056 238 D HN 0.339 nan 8.370 nan 0.000 0.494 239 A N 0.441 123.294 122.820 0.056 0.000 2.508 239 A HA 0.533 4.855 4.320 0.003 0.000 0.257 239 A C 1.116 178.659 177.584 -0.068 0.000 1.226 239 A CA 0.078 52.117 52.037 0.002 0.000 0.947 239 A CB 0.179 19.238 19.000 0.098 0.000 1.079 239 A HN 0.134 nan 8.150 nan 0.000 0.531 240 G N -1.177 107.578 108.800 -0.075 0.000 2.562 240 G HA2 0.414 4.376 3.960 0.003 0.000 0.275 240 G HA3 0.414 4.376 3.960 0.003 0.000 0.275 240 G C 0.789 175.596 174.900 -0.154 0.000 1.196 240 G CA 0.109 45.127 45.100 -0.138 0.000 0.908 240 G HN 0.044 nan 8.290 nan 0.000 0.524 241 V N 0.950 120.744 119.914 -0.200 0.000 2.331 241 V HA 0.151 4.273 4.120 0.003 0.000 0.242 241 V C 1.989 177.993 176.094 -0.150 0.000 1.034 241 V CA 1.811 64.000 62.300 -0.186 0.000 1.027 241 V CB -0.290 31.400 31.823 -0.221 0.000 0.667 241 V HN 0.796 nan 8.190 nan 0.000 0.457 242 A N 0.903 123.639 122.820 -0.141 0.000 2.838 242 A HA 0.356 4.678 4.320 0.003 0.000 0.337 242 A C 0.168 177.696 177.584 -0.093 0.000 1.383 242 A CA -0.427 51.538 52.037 -0.119 0.000 0.985 242 A CB -0.478 18.453 19.000 -0.115 0.000 1.157 242 A HN 0.422 nan 8.150 nan 0.000 0.497 243 K N 0.572 120.926 120.400 -0.077 0.000 2.484 243 K HA 0.297 4.619 4.320 0.003 0.000 0.280 243 K C 1.258 177.831 176.600 -0.045 0.000 1.013 243 K CA 1.023 57.277 56.287 -0.055 0.000 1.029 243 K CB 0.366 32.844 32.500 -0.036 0.000 0.902 243 K HN 1.186 nan 8.250 nan 0.000 0.481 244 G N 1.489 110.264 108.800 -0.041 0.000 2.179 244 G HA2 -0.347 3.615 3.960 0.003 0.000 0.260 244 G HA3 -0.347 3.615 3.960 0.003 0.000 0.260 244 G C 0.349 175.224 174.900 -0.043 0.000 0.977 244 G CA 0.136 45.215 45.100 -0.035 0.000 0.641 244 G HN 0.889 nan 8.290 nan 0.000 0.533 245 A N 0.073 122.860 122.820 -0.055 0.000 2.507 245 A HA 0.575 4.897 4.320 0.003 0.000 0.235 245 A C 1.001 178.547 177.584 -0.063 0.000 1.070 245 A CA 1.310 53.312 52.037 -0.059 0.000 0.768 245 A CB 0.400 19.358 19.000 -0.070 0.000 1.011 245 A HN 1.745 nan 8.150 nan 0.000 0.502 246 S N 1.502 117.164 115.700 -0.064 0.000 2.545 246 S HA 0.626 5.098 4.470 0.003 0.000 0.275 246 S C -0.201 174.335 174.600 -0.108 0.000 1.299 246 S CA -0.317 57.837 58.200 -0.077 0.000 1.048 246 S CB -0.284 62.874 63.200 -0.070 0.000 0.938 246 S HN 0.530 nan 8.310 nan 0.000 0.496 247 M N 4.033 123.560 119.600 -0.120 0.000 2.501 247 M HA 0.514 4.996 4.480 0.003 0.000 0.293 247 M C -0.766 175.420 176.300 -0.190 0.000 1.192 247 M CA -0.608 54.599 55.300 -0.157 0.000 0.886 247 M CB 2.655 35.187 32.600 -0.112 0.000 1.710 247 M HN 0.541 nan 8.290 nan 0.000 0.457 248 R N 0.976 121.302 120.500 -0.289 0.000 2.513 248 R HA 0.542 4.884 4.340 0.003 0.000 0.301 248 R C -0.926 175.312 176.300 -0.104 0.000 0.968 248 R CA -0.611 55.343 56.100 -0.244 0.000 0.872 248 R CB 2.143 32.163 30.300 -0.467 0.000 1.177 248 R HN 0.814 nan 8.270 nan 0.000 0.444 249 S N 3.020 118.707 115.700 -0.021 0.000 2.489 249 S HA 0.626 5.097 4.470 0.003 0.000 0.291 249 S C -0.458 174.171 174.600 0.048 0.000 1.151 249 S CA -0.864 57.348 58.200 0.019 0.000 1.082 249 S CB 1.195 64.398 63.200 0.005 0.000 1.019 249 S HN 0.254 nan 8.310 nan 0.000 0.492 250 L N 2.180 123.436 121.223 0.055 0.000 2.346 250 L HA 0.571 4.913 4.340 0.003 0.000 0.276 250 L C 0.283 177.219 176.870 0.109 0.000 1.006 250 L CA -0.539 54.339 54.840 0.063 0.000 0.817 250 L CB 1.693 43.701 42.059 -0.085 0.000 1.272 250 L HN 0.812 nan 8.230 nan 0.000 0.421 251 R N 1.946 122.540 120.500 0.156 0.000 2.204 251 R HA 0.443 4.785 4.340 0.003 0.000 0.341 251 R C 0.166 176.550 176.300 0.141 0.000 1.035 251 R CA -0.137 56.023 56.100 0.101 0.000 0.887 251 R CB 0.630 30.950 30.300 0.033 0.000 1.114 251 R HN 0.629 nan 8.270 nan 0.000 0.473 252 V N 2.505 122.489 119.914 0.117 0.000 3.477 252 V HA 0.355 4.476 4.120 0.003 0.000 0.297 252 V C -0.138 175.985 176.094 0.048 0.000 1.433 252 V CA -0.251 62.116 62.300 0.112 0.000 1.052 252 V CB 0.056 31.947 31.823 0.113 0.000 0.895 252 V HN 0.460 nan 8.190 nan 0.000 0.438 253 L N 2.804 124.045 121.223 0.031 0.000 2.365 253 L HA 0.587 4.929 4.340 0.003 0.000 0.273 253 L C -0.014 176.845 176.870 -0.019 0.000 1.000 253 L CA -0.668 54.172 54.840 0.000 0.000 0.819 253 L CB 2.076 44.134 42.059 -0.001 0.000 1.284 253 L HN 0.387 nan 8.230 nan 0.000 0.418 254 N N 0.306 118.976 118.700 -0.051 0.000 2.374 254 N HA 0.076 4.817 4.740 0.003 0.000 0.284 254 N C 0.784 176.248 175.510 -0.077 0.000 1.280 254 N CA -0.553 52.448 53.050 -0.082 0.000 0.963 254 N CB 0.008 38.413 38.487 -0.136 0.000 1.141 254 N HN 0.552 nan 8.380 nan 0.000 0.565 255 c N -1.604 116.929 118.600 -0.111 0.000 2.419 255 c HA -0.021 4.550 4.570 0.003 0.000 0.283 255 c C 1.808 175.883 174.090 -0.025 0.000 1.373 255 c CA 0.541 56.850 56.329 -0.032 0.000 1.781 255 c CB -1.365 41.164 42.510 0.032 0.000 1.886 255 c HN 0.648 nan 8.230 nan 0.000 0.520 256 Q N -0.274 119.466 119.800 -0.101 0.000 2.222 256 Q HA 0.250 4.591 4.340 0.003 0.000 0.206 256 Q C 1.418 177.381 176.000 -0.062 0.000 0.877 256 Q CA 0.455 56.223 55.803 -0.059 0.000 0.958 256 Q CB 0.212 28.899 28.738 -0.085 0.000 1.075 256 Q HN 0.706 nan 8.270 nan 0.000 0.483 257 G N 1.785 110.539 108.800 -0.075 0.000 2.153 257 G HA2 -0.326 3.636 3.960 0.003 0.000 0.252 257 G HA3 -0.326 3.636 3.960 0.003 0.000 0.252 257 G C -0.011 174.841 174.900 -0.079 0.000 0.994 257 G CA 0.539 45.574 45.100 -0.109 0.000 0.698 257 G HN 0.262 nan 8.290 nan 0.000 0.521 258 K N -0.102 120.261 120.400 -0.061 0.000 2.270 258 K HA 0.682 5.004 4.320 0.003 0.000 0.255 258 K C 0.664 177.244 176.600 -0.033 0.000 0.936 258 K CA 0.030 56.292 56.287 -0.041 0.000 0.809 258 K CB 1.312 33.786 32.500 -0.043 0.000 1.131 258 K HN 0.428 nan 8.250 nan 0.000 0.427 259 G N 0.347 109.138 108.800 -0.015 0.000 3.086 259 G HA2 0.545 4.507 3.960 0.003 0.000 0.282 259 G HA3 0.545 4.507 3.960 0.003 0.000 0.282 259 G C -1.137 173.762 174.900 -0.001 0.000 1.343 259 G CA -0.647 44.449 45.100 -0.006 0.000 0.895 259 G HN 0.604 nan 8.290 nan 0.000 0.557 260 T N -3.000 111.557 114.554 0.006 0.000 2.916 260 T HA 0.482 4.833 4.350 0.003 0.000 0.292 260 T C 0.998 175.703 174.700 0.007 0.000 1.055 260 T CA -0.298 61.804 62.100 0.003 0.000 1.009 260 T CB 1.607 70.474 68.868 -0.001 0.000 1.118 260 T HN 0.391 nan 8.240 nan 0.000 0.497 261 V N 1.842 121.754 119.914 -0.003 0.000 2.332 261 V HA -0.202 3.919 4.120 0.003 0.000 0.248 261 V C 3.064 179.157 176.094 -0.001 0.000 1.055 261 V CA 2.754 65.048 62.300 -0.010 0.000 1.038 261 V CB -1.131 30.675 31.823 -0.029 0.000 0.651 261 V HN 1.095 nan 8.190 nan 0.000 0.450 262 S N 0.625 116.328 115.700 0.004 0.000 2.368 262 S HA -0.093 4.379 4.470 0.003 0.000 0.224 262 S C 2.109 176.734 174.600 0.042 0.000 1.029 262 S CA 1.358 59.567 58.200 0.015 0.000 0.988 262 S CB -0.922 62.285 63.200 0.010 0.000 0.838 262 S HN 0.538 nan 8.310 nan 0.000 0.462 263 G N 1.249 110.079 108.800 0.050 0.000 2.408 263 G HA2 -0.094 3.868 3.960 0.003 0.000 0.217 263 G HA3 -0.094 3.868 3.960 0.003 0.000 0.217 263 G C 1.456 176.431 174.900 0.125 0.000 1.150 263 G CA 1.326 46.488 45.100 0.103 0.000 0.776 263 G HN 0.556 nan 8.290 nan 0.000 0.542 264 T N 1.464 116.053 114.554 0.058 0.000 2.777 264 T HA -0.011 4.341 4.350 0.003 0.000 0.266 264 T C 2.426 177.119 174.700 -0.011 0.000 1.040 264 T CA 0.761 62.872 62.100 0.020 0.000 1.141 264 T CB -0.196 68.675 68.868 0.006 0.000 0.868 264 T HN 0.148 nan 8.240 nan 0.000 0.444 265 L N 0.510 121.734 121.223 0.001 0.000 1.990 265 L HA -0.107 4.235 4.340 0.003 0.000 0.213 265 L C 2.487 179.357 176.870 0.000 0.000 1.072 265 L CA 1.495 56.330 54.840 -0.009 0.000 0.755 265 L CB -0.656 41.402 42.059 -0.001 0.000 0.889 265 L HN 0.274 nan 8.230 nan 0.000 0.432 266 I N -0.283 120.323 120.570 0.059 0.000 2.361 266 I HA -0.203 3.969 4.170 0.003 0.000 0.251 266 I C 2.537 178.650 176.117 -0.006 0.000 1.133 266 I CA 1.275 62.650 61.300 0.126 0.000 1.413 266 I CB -0.795 37.361 38.000 0.259 0.000 1.073 266 I HN 0.303 nan 8.210 nan 0.000 0.424 267 G N 0.963 109.635 108.800 -0.213 0.000 2.403 267 G HA2 -0.110 3.852 3.960 0.003 0.000 0.216 267 G HA3 -0.110 3.852 3.960 0.003 0.000 0.216 267 G C 1.697 176.372 174.900 -0.375 0.000 1.154 267 G CA 0.211 44.846 45.100 -0.775 0.000 0.784 267 G HN 0.250 nan 8.290 nan 0.000 0.538 268 L N 0.157 121.266 121.223 -0.189 0.000 2.093 268 L HA -0.013 4.329 4.340 0.003 0.000 0.208 268 L C 2.717 179.523 176.870 -0.107 0.000 1.085 268 L CA 1.363 56.121 54.840 -0.137 0.000 0.755 268 L CB -0.334 41.669 42.059 -0.092 0.000 0.904 268 L HN 0.352 nan 8.230 nan 0.000 0.435 269 E N 0.391 120.552 120.200 -0.065 0.000 2.110 269 E HA -0.282 4.069 4.350 0.003 0.000 0.193 269 E C 2.177 178.763 176.600 -0.023 0.000 0.988 269 E CA 1.231 57.611 56.400 -0.032 0.000 0.804 269 E CB -0.127 29.579 29.700 0.011 0.000 0.745 269 E HN 0.407 nan 8.360 nan 0.000 0.458 270 F N 1.125 120.962 119.950 -0.189 0.000 2.126 270 F HA -0.171 4.358 4.527 0.003 0.000 0.299 270 F C 1.935 177.612 175.800 -0.205 0.000 1.096 270 F CA 1.505 59.401 58.000 -0.174 0.000 1.255 270 F CB -0.047 38.770 39.000 -0.304 0.000 0.997 270 F HN 0.005 nan 8.300 nan 0.000 0.479 271 I N 0.004 120.530 120.570 -0.074 0.000 2.226 271 I HA -0.277 3.895 4.170 0.003 0.000 0.245 271 I C 2.495 178.428 176.117 -0.307 0.000 1.100 271 I CA 1.199 62.300 61.300 -0.332 0.000 1.374 271 I CB -0.452 37.270 38.000 -0.462 0.000 1.057 271 I HN 0.067 nan 8.210 nan 0.000 0.413 272 R N 1.697 122.074 120.500 -0.205 0.000 2.105 272 R HA -0.207 4.134 4.340 0.003 0.000 0.239 272 R C 2.047 178.252 176.300 -0.159 0.000 1.135 272 R CA 1.719 57.726 56.100 -0.155 0.000 0.967 272 R CB -0.441 29.796 30.300 -0.106 0.000 0.861 272 R HN 0.168 nan 8.270 nan 0.000 0.442 273 K N -0.547 119.735 120.400 -0.197 0.000 2.026 273 K HA 0.004 4.325 4.320 0.003 0.000 0.208 273 K C 1.959 178.417 176.600 -0.236 0.000 1.048 273 K CA 1.845 58.006 56.287 -0.211 0.000 0.929 273 K CB -0.162 32.180 32.500 -0.264 0.000 0.713 273 K HN 0.141 nan 8.250 nan 0.000 0.439 274 S N 0.543 116.050 115.700 -0.321 0.000 2.368 274 S HA -0.187 4.285 4.470 0.003 0.000 0.225 274 S C 1.846 176.385 174.600 -0.102 0.000 1.030 274 S CA 1.166 59.234 58.200 -0.220 0.000 0.999 274 S CB -0.245 62.854 63.200 -0.169 0.000 0.844 274 S HN 0.411 nan 8.310 nan 0.000 0.459 275 Q N 0.504 120.236 119.800 -0.113 0.000 2.234 275 Q HA -0.091 4.250 4.340 0.003 0.000 0.206 275 Q C 1.910 177.881 176.000 -0.048 0.000 0.980 275 Q CA 1.006 56.772 55.803 -0.061 0.000 0.869 275 Q CB -0.146 28.543 28.738 -0.083 0.000 0.912 275 Q HN 0.517 nan 8.270 nan 0.000 0.436 276 L N -0.895 120.289 121.223 -0.065 0.000 2.068 276 L HA -0.065 4.277 4.340 0.003 0.000 0.204 276 L C 2.259 179.105 176.870 -0.040 0.000 1.076 276 L CA 0.541 55.351 54.840 -0.049 0.000 0.753 276 L CB -0.256 41.769 42.059 -0.056 0.000 0.910 276 L HN 0.094 nan 8.230 nan 0.000 0.439 277 V N -0.612 119.272 119.914 -0.050 0.000 3.623 277 V HA 0.026 4.148 4.120 0.003 0.000 0.271 277 V C 0.874 176.953 176.094 -0.024 0.000 1.248 277 V CA 0.416 62.694 62.300 -0.038 0.000 1.156 277 V CB -0.073 31.721 31.823 -0.048 0.000 0.870 277 V HN 0.356 nan 8.190 nan 0.000 0.453 278 Q N 1.357 121.146 119.800 -0.019 0.000 2.241 278 Q HA 0.410 4.752 4.340 0.003 0.000 0.262 278 Q C -2.421 173.581 176.000 0.003 0.000 1.014 278 Q CA -2.149 53.654 55.803 -0.001 0.000 0.885 278 Q CB 1.255 30.003 28.738 0.017 0.000 1.311 278 Q HN 0.167 nan 8.270 nan 0.000 0.461 279 P HA -0.019 nan 4.420 nan 0.000 0.264 279 P C -0.192 177.115 177.300 0.011 0.000 1.229 279 P CA -0.008 63.097 63.100 0.007 0.000 0.780 279 P CB 0.025 31.729 31.700 0.007 0.000 0.808 280 V N 2.167 122.085 119.914 0.007 0.000 2.506 280 V HA 0.466 4.588 4.120 0.003 0.000 0.296 280 V C 0.653 176.755 176.094 0.013 0.000 1.004 280 V CA 0.489 62.794 62.300 0.008 0.000 1.150 280 V CB -0.676 31.149 31.823 0.004 0.000 0.911 280 V HN 0.803 nan 8.190 nan 0.000 0.476 281 G N 4.551 113.362 108.800 0.019 0.000 2.649 281 G HA2 0.723 4.685 3.960 0.003 0.000 0.290 281 G HA3 0.723 4.685 3.960 0.003 0.000 0.290 281 G C -3.189 171.727 174.900 0.026 0.000 1.426 281 G CA -1.028 44.084 45.100 0.021 0.000 0.794 281 G HN 0.705 nan 8.290 nan 0.000 0.483 282 P HA 0.406 nan 4.420 nan 0.000 0.271 282 P C -0.452 176.875 177.300 0.045 0.000 1.216 282 P CA -0.062 63.054 63.100 0.027 0.000 0.771 282 P CB 1.142 32.854 31.700 0.020 0.000 0.864 283 L N 0.559 121.816 121.223 0.056 0.000 2.401 283 L HA 0.757 5.099 4.340 0.003 0.000 0.266 283 L C -1.060 175.859 176.870 0.083 0.000 0.991 283 L CA -1.313 53.588 54.840 0.101 0.000 0.818 283 L CB 2.185 44.351 42.059 0.177 0.000 1.321 283 L HN -0.016 nan 8.230 nan 0.000 0.413 284 V N 3.046 123.021 119.914 0.102 0.000 2.513 284 V HA 0.531 4.652 4.120 0.003 0.000 0.299 284 V C -0.058 176.106 176.094 0.118 0.000 1.035 284 V CA -0.543 61.800 62.300 0.071 0.000 0.889 284 V CB 2.048 33.892 31.823 0.035 0.000 0.988 284 V HN 0.605 nan 8.190 nan 0.000 0.440 285 V N 5.769 125.725 119.914 0.071 0.000 2.378 285 V HA 0.423 4.544 4.120 0.003 0.000 0.288 285 V C -0.470 175.648 176.094 0.040 0.000 1.016 285 V CA -0.553 61.791 62.300 0.074 0.000 0.840 285 V CB 1.610 33.439 31.823 0.009 0.000 0.994 285 V HN 0.667 nan 8.190 nan 0.000 0.431 286 L N 7.087 128.337 121.223 0.046 0.000 2.264 286 L HA 0.571 4.913 4.340 0.003 0.000 0.289 286 L C -0.563 176.322 176.870 0.025 0.000 1.044 286 L CA 0.204 55.058 54.840 0.023 0.000 0.807 286 L CB 0.966 43.030 42.059 0.009 0.000 1.192 286 L HN 0.582 nan 8.230 nan 0.000 0.425 287 L N 8.393 129.628 121.223 0.019 0.000 2.435 287 L HA 0.419 4.761 4.340 0.003 0.000 0.253 287 L C -1.909 174.983 176.870 0.037 0.000 1.087 287 L CA -1.224 53.631 54.840 0.025 0.000 0.950 287 L CB 0.969 43.037 42.059 0.014 0.000 1.304 287 L HN 0.527 nan 8.230 nan 0.000 0.453 288 P HA 0.184 nan 4.420 nan 0.000 0.218 288 P C -1.049 176.318 177.300 0.112 0.000 1.793 288 P CA -0.116 63.033 63.100 0.082 0.000 0.941 288 P CB -0.054 31.701 31.700 0.092 0.000 1.919 289 L N -2.641 118.624 121.223 0.071 0.000 2.568 289 L HA 1.014 5.356 4.340 0.003 0.000 0.257 289 L C -1.466 175.446 176.870 0.069 0.000 1.024 289 L CA -1.504 53.374 54.840 0.064 0.000 0.854 289 L CB 1.221 43.313 42.059 0.055 0.000 1.460 289 L HN -0.069 nan 8.230 nan 0.000 0.409 290 A N -0.768 122.111 122.820 0.098 0.000 2.574 290 A HA 0.997 5.319 4.320 0.003 0.000 0.297 290 A C -0.537 177.153 177.584 0.177 0.000 1.062 290 A CA 0.094 52.220 52.037 0.149 0.000 0.686 290 A CB 1.397 20.509 19.000 0.187 0.000 1.285 290 A HN 1.485 nan 8.150 nan 0.000 0.403 291 G N -0.451 108.450 108.800 0.169 0.000 3.135 291 G HA2 0.712 4.674 3.960 0.003 0.000 0.278 291 G HA3 0.712 4.674 3.960 0.003 0.000 0.278 291 G C 0.238 175.217 174.900 0.131 0.000 1.302 291 G CA -0.060 45.117 45.100 0.129 0.000 0.880 291 G HN 1.441 nan 8.290 nan 0.000 0.574 292 G N -1.677 107.127 108.800 0.007 0.000 2.606 292 G HA2 0.403 4.365 3.960 0.003 0.000 0.252 292 G HA3 0.403 4.365 3.960 0.003 0.000 0.252 292 G C -0.389 174.481 174.900 -0.050 0.000 1.206 292 G CA -0.332 44.713 45.100 -0.091 0.000 0.861 292 G HN 0.725 nan 8.290 nan 0.000 0.561 293 Y N 0.851 121.056 120.300 -0.159 0.000 2.805 293 Y HA 0.275 4.827 4.550 0.003 0.000 0.331 293 Y C 0.581 176.448 175.900 -0.055 0.000 1.241 293 Y CA 0.542 58.588 58.100 -0.089 0.000 1.546 293 Y CB 0.497 38.894 38.460 -0.105 0.000 1.248 293 Y HN 0.402 nan 8.280 nan 0.000 0.559 294 S N 6.285 121.507 115.700 -0.796 0.000 2.659 294 S HA 0.328 4.800 4.470 0.003 0.000 0.312 294 S C 0.707 174.869 174.600 -0.730 0.000 1.114 294 S CA -0.761 57.078 58.200 -0.601 0.000 1.063 294 S CB 1.002 64.039 63.200 -0.271 0.000 0.996 294 S HN 0.951 nan 8.310 nan 0.000 0.478 295 R N 4.107 124.271 120.500 -0.561 0.000 2.083 295 R HA -0.034 4.308 4.340 0.003 0.000 0.237 295 R C 1.850 178.052 176.300 -0.164 0.000 1.137 295 R CA 2.321 58.254 56.100 -0.278 0.000 0.951 295 R CB -0.896 29.372 30.300 -0.052 0.000 0.851 295 R HN 0.546 nan 8.270 nan 0.000 0.434 296 V N 0.290 120.124 119.914 -0.134 0.000 2.427 296 V HA -0.108 4.013 4.120 0.003 0.000 0.248 296 V C 1.982 178.024 176.094 -0.087 0.000 1.051 296 V CA 1.696 63.947 62.300 -0.083 0.000 1.048 296 V CB -0.271 31.516 31.823 -0.060 0.000 0.666 296 V HN 0.461 nan 8.190 nan 0.000 0.456 297 L N 1.044 122.196 121.223 -0.117 0.000 2.056 297 L HA -0.079 4.262 4.340 0.003 0.000 0.207 297 L C 2.174 178.992 176.870 -0.087 0.000 1.078 297 L CA 2.104 56.888 54.840 -0.094 0.000 0.749 297 L CB -1.121 40.880 42.059 -0.098 0.000 0.901 297 L HN 0.364 nan 8.230 nan 0.000 0.433 298 N N 0.082 118.709 118.700 -0.122 0.000 2.166 298 N HA -0.121 4.620 4.740 0.003 0.000 0.186 298 N C 1.823 177.310 175.510 -0.038 0.000 1.019 298 N CA 1.515 54.523 53.050 -0.071 0.000 0.856 298 N CB -0.492 37.953 38.487 -0.070 0.000 0.993 298 N HN 0.501 nan 8.380 nan 0.000 0.426 299 A N 0.611 123.404 122.820 -0.045 0.000 1.898 299 A HA 0.102 4.423 4.320 0.003 0.000 0.216 299 A C 2.298 179.866 177.584 -0.026 0.000 1.181 299 A CA 1.722 53.744 52.037 -0.025 0.000 0.620 299 A CB -0.833 18.153 19.000 -0.023 0.000 0.819 299 A HN 0.297 nan 8.150 nan 0.000 0.442 300 A N -0.997 121.802 122.820 -0.035 0.000 1.933 300 A HA -0.160 4.162 4.320 0.003 0.000 0.218 300 A C 2.285 179.848 177.584 -0.035 0.000 1.175 300 A CA 1.676 53.692 52.037 -0.035 0.000 0.628 300 A CB -1.203 17.773 19.000 -0.039 0.000 0.814 300 A HN 0.588 nan 8.150 nan 0.000 0.444 301 C N -1.144 118.136 119.300 -0.033 0.000 2.446 301 C HA -0.093 4.369 4.460 0.003 0.000 0.277 301 C C 2.843 177.821 174.990 -0.020 0.000 1.275 301 C CA 1.208 60.209 59.018 -0.028 0.000 1.727 301 C CB -1.183 26.544 27.740 -0.022 0.000 2.010 301 C HN 0.788 nan 8.230 nan 0.000 0.486 302 Q N 0.579 120.371 119.800 -0.014 0.000 2.096 302 Q HA -0.212 4.129 4.340 0.003 0.000 0.204 302 Q C 2.547 178.540 176.000 -0.011 0.000 0.982 302 Q CA 1.393 57.192 55.803 -0.007 0.000 0.850 302 Q CB -0.262 28.477 28.738 0.001 0.000 0.901 302 Q HN 0.479 nan 8.270 nan 0.000 0.422 303 R N 0.399 120.889 120.500 -0.016 0.000 2.096 303 R HA -0.090 4.252 4.340 0.003 0.000 0.235 303 R C 2.255 178.540 176.300 -0.026 0.000 1.127 303 R CA 1.007 57.096 56.100 -0.019 0.000 0.968 303 R CB -0.544 29.743 30.300 -0.022 0.000 0.861 303 R HN 0.413 nan 8.270 nan 0.000 0.440 304 L N -0.145 121.059 121.223 -0.033 0.000 2.093 304 L HA -0.111 4.230 4.340 0.003 0.000 0.208 304 L C 2.481 179.332 176.870 -0.032 0.000 1.085 304 L CA 1.194 56.009 54.840 -0.042 0.000 0.755 304 L CB -0.409 41.616 42.059 -0.056 0.000 0.904 304 L HN 0.174 nan 8.230 nan 0.000 0.435 305 A N -0.066 122.741 122.820 -0.022 0.000 1.933 305 A HA -0.198 4.124 4.320 0.003 0.000 0.218 305 A C 2.236 179.814 177.584 -0.010 0.000 1.175 305 A CA 1.299 53.328 52.037 -0.014 0.000 0.628 305 A CB -0.427 18.569 19.000 -0.008 0.000 0.814 305 A HN 0.360 nan 8.150 nan 0.000 0.444 306 R N -0.592 119.902 120.500 -0.010 0.000 2.280 306 R HA 0.087 4.429 4.340 0.003 0.000 0.207 306 R C 1.678 177.973 176.300 -0.009 0.000 1.043 306 R CA 0.717 56.814 56.100 -0.006 0.000 1.006 306 R CB -0.234 30.063 30.300 -0.005 0.000 0.885 306 R HN 0.461 nan 8.270 nan 0.000 0.467 307 A N 0.346 123.157 122.820 -0.016 0.000 2.278 307 A HA 0.281 4.603 4.320 0.003 0.000 0.212 307 A C 1.217 178.792 177.584 -0.016 0.000 1.213 307 A CA 0.572 52.598 52.037 -0.019 0.000 0.840 307 A CB 0.070 19.052 19.000 -0.030 0.000 0.866 307 A HN 0.385 nan 8.150 nan 0.000 0.489 308 G N -1.416 107.378 108.800 -0.011 0.000 2.131 308 G HA2 -0.168 3.794 3.960 0.003 0.000 0.223 308 G HA3 -0.168 3.794 3.960 0.003 0.000 0.223 308 G C 0.037 174.933 174.900 -0.007 0.000 0.990 308 G CA 0.047 45.144 45.100 -0.006 0.000 0.671 308 G HN 0.751 nan 8.290 nan 0.000 0.521 309 V N 0.736 120.642 119.914 -0.014 0.000 2.509 309 V HA 0.530 4.652 4.120 0.003 0.000 0.284 309 V C 0.894 176.983 176.094 -0.008 0.000 1.047 309 V CA -0.731 61.561 62.300 -0.014 0.000 0.952 309 V CB 1.909 33.710 31.823 -0.037 0.000 0.988 309 V HN 0.236 nan 8.190 nan 0.000 0.469 310 V N 6.548 126.463 119.914 0.001 0.000 2.368 310 V HA 0.298 4.420 4.120 0.003 0.000 0.266 310 V C -0.147 175.948 176.094 0.002 0.000 1.045 310 V CA -0.288 62.013 62.300 0.001 0.000 0.899 310 V CB 0.825 32.651 31.823 0.004 0.000 1.006 310 V HN 0.545 nan 8.190 nan 0.000 0.470 311 L N 6.335 127.555 121.223 -0.004 0.000 2.295 311 L HA 0.591 4.933 4.340 0.003 0.000 0.285 311 L C -0.149 176.719 176.870 -0.003 0.000 1.035 311 L CA 0.064 54.901 54.840 -0.004 0.000 0.806 311 L CB 1.817 43.870 42.059 -0.011 0.000 1.214 311 L HN 0.373 nan 8.230 nan 0.000 0.426 312 V N 1.863 121.776 119.914 -0.001 0.000 2.540 312 V HA 0.741 4.862 4.120 0.003 0.000 0.302 312 V C -0.072 176.021 176.094 -0.002 0.000 1.035 312 V CA -0.461 61.836 62.300 -0.005 0.000 0.873 312 V CB 1.919 33.739 31.823 -0.005 0.000 0.992 312 V HN 0.796 nan 8.190 nan 0.000 0.428 313 T N 2.688 117.238 114.554 -0.007 0.000 2.896 313 T HA 0.747 5.098 4.350 0.003 0.000 0.297 313 T C -0.330 174.363 174.700 -0.013 0.000 1.108 313 T CA 0.080 62.180 62.100 -0.001 0.000 1.004 313 T CB 1.736 70.608 68.868 0.006 0.000 1.159 313 T HN 1.093 nan 8.240 nan 0.000 0.499 314 A N 1.589 124.406 122.820 -0.004 0.000 2.425 314 A HA 0.627 4.948 4.320 0.003 0.000 0.249 314 A C 1.546 179.105 177.584 -0.043 0.000 1.084 314 A CA 0.315 52.338 52.037 -0.023 0.000 0.781 314 A CB -0.114 18.880 19.000 -0.009 0.000 1.019 314 A HN 1.204 nan 8.150 nan 0.000 0.490 315 A N 1.765 124.535 122.820 -0.083 0.000 2.014 315 A HA 0.463 4.785 4.320 0.003 0.000 0.218 315 A C 1.427 178.932 177.584 -0.132 0.000 1.163 315 A CA 1.500 53.474 52.037 -0.104 0.000 0.652 315 A CB -0.847 18.057 19.000 -0.160 0.000 0.808 315 A HN 2.828 nan 8.150 nan 0.000 0.449 316 G N -1.639 107.067 108.800 -0.157 0.000 2.539 316 G HA2 0.008 3.970 3.960 0.003 0.000 0.686 316 G HA3 0.008 3.970 3.960 0.003 0.000 0.686 316 G C -0.618 174.060 174.900 -0.370 0.000 1.258 316 G CA -0.206 44.730 45.100 -0.274 0.000 0.846 316 G HN 0.164 nan 8.290 nan 0.000 0.647 317 N N -0.258 118.002 118.700 -0.734 0.000 2.275 317 N HA 0.298 5.040 4.740 0.003 0.000 0.236 317 N C 0.544 175.659 175.510 -0.659 0.000 1.154 317 N CA -0.078 52.592 53.050 -0.633 0.000 0.866 317 N CB 0.044 38.168 38.487 -0.605 0.000 1.093 317 N HN 0.383 nan 8.380 nan 0.000 0.515 318 F N 0.095 119.960 119.950 -0.142 0.000 2.639 318 F HA 0.335 4.864 4.527 0.003 0.000 0.302 318 F C 0.946 176.737 175.800 -0.015 0.000 1.097 318 F CA -0.590 57.361 58.000 -0.082 0.000 1.294 318 F CB 0.090 39.010 39.000 -0.134 0.000 1.027 318 F HN -0.141 nan 8.300 nan 0.000 0.550 319 R N 1.860 122.437 120.500 0.129 0.000 3.158 319 R HA -0.240 4.101 4.340 0.003 0.000 0.244 319 R C -1.075 175.273 176.300 0.079 0.000 0.900 319 R CA 0.574 56.816 56.100 0.237 0.000 0.618 319 R CB -1.348 29.105 30.300 0.255 0.000 1.061 319 R HN 0.381 nan 8.270 nan 0.000 0.471 320 D N -0.989 119.203 120.400 -0.346 0.000 2.652 320 D HA 0.182 4.824 4.640 0.003 0.000 0.285 320 D C -1.412 174.414 176.300 -0.790 0.000 1.173 320 D CA -0.637 53.179 54.000 -0.306 0.000 0.981 320 D CB 1.259 42.143 40.800 0.139 0.000 1.440 320 D HN 0.161 nan 8.370 nan 0.000 0.485 321 D N 0.213 120.470 120.400 -0.238 0.000 2.358 321 D HA 0.276 4.917 4.640 0.003 0.000 0.258 321 D C 0.632 176.975 176.300 0.071 0.000 1.223 321 D CA -0.060 53.887 54.000 -0.089 0.000 0.886 321 D CB 1.208 42.071 40.800 0.104 0.000 1.120 321 D HN 0.386 nan 8.370 nan 0.000 0.482 322 A N 3.442 126.267 122.820 0.008 0.000 2.178 322 A HA -0.157 4.164 4.320 0.003 0.000 0.218 322 A C 2.176 179.889 177.584 0.215 0.000 1.157 322 A CA 0.661 52.780 52.037 0.137 0.000 0.689 322 A CB -0.450 18.551 19.000 0.002 0.000 0.787 322 A HN 0.755 nan 8.150 nan 0.000 0.465 323 c N -0.797 117.880 118.600 0.129 0.000 2.539 323 c HA 0.184 4.755 4.570 0.003 0.000 0.271 323 c C 1.885 176.005 174.090 0.049 0.000 1.412 323 c CA 0.209 56.593 56.329 0.092 0.000 1.729 323 c CB -1.579 40.961 42.510 0.049 0.000 1.739 323 c HN 0.610 nan 8.230 nan 0.000 0.570 324 L N -1.362 119.864 121.223 0.005 0.000 2.607 324 L HA 0.217 4.559 4.340 0.003 0.000 0.228 324 L C -0.180 176.387 176.870 -0.505 0.000 1.123 324 L CA 0.352 55.032 54.840 -0.266 0.000 0.890 324 L CB -0.240 41.566 42.059 -0.421 0.000 1.103 324 L HN 0.344 nan 8.230 nan 0.000 0.468 325 Y N -1.462 118.895 120.300 0.095 0.000 2.562 325 Y HA 0.533 5.085 4.550 0.003 0.000 0.343 325 Y C 0.240 176.192 175.900 0.086 0.000 1.025 325 Y CA -0.820 57.328 58.100 0.081 0.000 1.082 325 Y CB 2.004 40.510 38.460 0.077 0.000 1.264 325 Y HN -0.262 nan 8.280 nan 0.000 0.478 326 S N 1.856 117.659 115.700 0.170 0.000 2.548 326 S HA 0.337 4.809 4.470 0.003 0.000 0.286 326 S C -2.417 172.228 174.600 0.075 0.000 1.098 326 S CA -1.303 56.941 58.200 0.073 0.000 0.930 326 S CB 2.108 65.270 63.200 -0.064 0.000 1.070 326 S HN 0.471 nan 8.310 nan 0.000 0.480 327 P HA 0.142 nan 4.420 nan 0.000 0.249 327 P C 1.005 178.336 177.300 0.052 0.000 1.241 327 P CA 0.168 63.285 63.100 0.028 0.000 0.781 327 P CB -0.205 31.500 31.700 0.008 0.000 1.088 328 A N 1.805 124.674 122.820 0.083 0.000 1.927 328 A HA -0.239 4.083 4.320 0.003 0.000 0.220 328 A C 2.309 179.943 177.584 0.083 0.000 1.185 328 A CA 2.645 54.728 52.037 0.076 0.000 0.639 328 A CB -1.544 17.521 19.000 0.108 0.000 0.820 328 A HN 0.429 nan 8.150 nan 0.000 0.451 329 S N -0.662 115.113 115.700 0.126 0.000 2.603 329 S HA 0.489 4.961 4.470 0.003 0.000 0.220 329 S C 0.851 175.523 174.600 0.120 0.000 0.967 329 S CA 0.317 58.602 58.200 0.142 0.000 0.920 329 S CB -0.613 62.729 63.200 0.238 0.000 0.773 329 S HN 0.979 nan 8.310 nan 0.000 0.529 330 A N 3.005 125.873 122.820 0.081 0.000 2.451 330 A HA 0.497 4.819 4.320 0.003 0.000 0.266 330 A C -1.161 176.451 177.584 0.047 0.000 1.119 330 A CA -1.363 50.709 52.037 0.058 0.000 0.786 330 A CB 0.171 19.186 19.000 0.026 0.000 1.061 330 A HN 0.255 nan 8.150 nan 0.000 0.503 331 P HA -0.152 nan 4.420 nan 0.000 0.217 331 P C 1.103 178.419 177.300 0.028 0.000 1.150 331 P CA 1.314 64.440 63.100 0.042 0.000 0.832 331 P CB 0.213 31.941 31.700 0.046 0.000 0.787 332 E N -0.565 119.648 120.200 0.022 0.000 2.482 332 E HA 0.010 4.362 4.350 0.003 0.000 0.196 332 E C 0.377 176.982 176.600 0.007 0.000 1.047 332 E CA 0.340 56.748 56.400 0.013 0.000 0.869 332 E CB -0.737 28.969 29.700 0.010 0.000 0.836 332 E HN 0.082 nan 8.360 nan 0.000 0.520 333 V N 2.325 122.244 119.914 0.008 0.000 2.607 333 V HA 0.181 4.302 4.120 0.003 0.000 0.289 333 V C 0.664 176.757 176.094 -0.002 0.000 1.053 333 V CA -0.606 61.695 62.300 0.002 0.000 0.996 333 V CB 1.393 33.218 31.823 0.004 0.000 0.995 333 V HN 0.103 nan 8.190 nan 0.000 0.476 334 I N 3.897 124.462 120.570 -0.009 0.000 2.363 334 I HA 0.176 4.348 4.170 0.003 0.000 0.292 334 I C 0.343 176.442 176.117 -0.030 0.000 1.075 334 I CA 0.352 61.641 61.300 -0.018 0.000 1.333 334 I CB 0.645 38.635 38.000 -0.016 0.000 1.415 334 I HN 0.588 nan 8.210 nan 0.000 0.502 335 T N 6.339 120.865 114.554 -0.047 0.000 2.749 335 T HA 0.424 4.776 4.350 0.003 0.000 0.287 335 T C -0.106 174.515 174.700 -0.131 0.000 0.970 335 T CA -0.448 61.611 62.100 -0.069 0.000 0.980 335 T CB 1.438 70.270 68.868 -0.059 0.000 0.924 335 T HN 0.191 nan 8.240 nan 0.000 0.456 336 V N 3.182 123.017 119.914 -0.132 0.000 2.378 336 V HA 0.668 4.790 4.120 0.003 0.000 0.288 336 V C 0.877 176.835 176.094 -0.228 0.000 1.016 336 V CA -0.896 61.298 62.300 -0.177 0.000 0.840 336 V CB 1.447 33.221 31.823 -0.083 0.000 0.994 336 V HN 0.995 nan 8.190 nan 0.000 0.431 337 G N 2.974 111.491 108.800 -0.471 0.000 2.580 337 G HA2 0.668 4.629 3.960 0.003 0.000 0.278 337 G HA3 0.668 4.629 3.960 0.003 0.000 0.278 337 G C -0.339 174.591 174.900 0.050 0.000 1.212 337 G CA -0.091 44.797 45.100 -0.355 0.000 0.939 337 G HN 1.117 nan 8.290 nan 0.000 0.513 338 A N -0.085 122.890 122.820 0.257 0.000 2.342 338 A HA 0.832 5.154 4.320 0.003 0.000 0.323 338 A C 0.241 177.930 177.584 0.174 0.000 1.125 338 A CA -0.276 51.871 52.037 0.185 0.000 0.785 338 A CB 1.312 20.363 19.000 0.084 0.000 1.221 338 A HN 1.234 nan 8.150 nan 0.000 0.463 339 T N -0.176 114.445 114.554 0.111 0.000 2.930 339 T HA 0.681 5.033 4.350 0.003 0.000 0.290 339 T C -0.076 174.660 174.700 0.059 0.000 1.052 339 T CA -0.848 61.246 62.100 -0.009 0.000 1.017 339 T CB 1.379 70.228 68.868 -0.031 0.000 1.137 339 T HN 0.794 nan 8.240 nan 0.000 0.511 340 N N 0.101 118.766 118.700 -0.058 0.000 2.643 340 N HA 0.556 5.298 4.740 0.003 0.000 0.305 340 N C 1.416 176.690 175.510 -0.393 0.000 1.283 340 N CA -0.541 52.430 53.050 -0.131 0.000 0.946 340 N CB -0.102 38.258 38.487 -0.212 0.000 1.149 340 N HN 0.729 nan 8.380 nan 0.000 0.600 341 A N -1.286 120.946 122.820 -0.979 0.000 2.070 341 A HA -0.131 4.190 4.320 0.003 0.000 0.220 341 A C 1.346 178.638 177.584 -0.487 0.000 1.159 341 A CA 1.249 52.518 52.037 -1.281 0.000 0.656 341 A CB -0.726 17.436 19.000 -1.396 0.000 0.800 341 A HN 0.667 nan 8.150 nan 0.000 0.453 342 Q N -0.364 119.230 119.800 -0.343 0.000 2.280 342 Q HA 0.142 4.484 4.340 0.003 0.000 0.202 342 Q C -0.360 175.543 176.000 -0.161 0.000 0.903 342 Q CA 0.377 56.055 55.803 -0.209 0.000 0.948 342 Q CB 0.247 28.874 28.738 -0.186 0.000 1.058 342 Q HN 0.500 nan 8.270 nan 0.000 0.493 343 D N -0.258 120.055 120.400 -0.144 0.000 3.012 343 D HA -0.149 4.493 4.640 0.003 0.000 0.222 343 D C -0.580 175.602 176.300 -0.197 0.000 1.167 343 D CA 0.849 54.783 54.000 -0.109 0.000 0.854 343 D CB -0.437 40.321 40.800 -0.071 0.000 1.107 343 D HN 0.240 nan 8.370 nan 0.000 0.421 344 Q N -0.614 119.035 119.800 -0.252 0.000 2.215 344 Q HA 0.520 4.862 4.340 0.003 0.000 0.256 344 Q C -2.285 173.407 176.000 -0.513 0.000 0.972 344 Q CA -1.872 53.703 55.803 -0.381 0.000 0.889 344 Q CB 0.542 29.082 28.738 -0.331 0.000 1.281 344 Q HN 0.007 nan 8.270 nan 0.000 0.456 345 P HA -0.008 nan 4.420 nan 0.000 0.265 345 P C -0.462 176.349 177.300 -0.815 0.000 1.193 345 P CA -0.002 62.480 63.100 -1.030 0.000 0.765 345 P CB 0.398 30.922 31.700 -1.959 0.000 0.823 346 V N 3.689 123.375 119.914 -0.379 0.000 2.655 346 V HA 0.128 4.249 4.120 0.003 0.000 0.300 346 V C 0.999 177.098 176.094 0.007 0.000 1.044 346 V CA 0.270 62.483 62.300 -0.145 0.000 1.095 346 V CB 0.309 32.114 31.823 -0.030 0.000 0.952 346 V HN 0.663 nan 8.190 nan 0.000 0.485 347 T N 4.040 118.662 114.554 0.112 0.000 2.875 347 T HA 0.738 5.089 4.350 0.003 0.000 0.284 347 T C -0.744 174.028 174.700 0.121 0.000 0.995 347 T CA -0.696 61.546 62.100 0.235 0.000 1.060 347 T CB 0.956 69.970 68.868 0.242 0.000 0.967 347 T HN 0.376 nan 8.240 nan 0.000 0.476 348 L N 3.287 124.577 121.223 0.112 0.000 2.415 348 L HA 0.608 4.950 4.340 0.003 0.000 0.268 348 L C 1.193 178.091 176.870 0.047 0.000 0.984 348 L CA -0.623 54.248 54.840 0.051 0.000 0.853 348 L CB 0.936 43.000 42.059 0.009 0.000 1.215 348 L HN 1.195 nan 8.230 nan 0.000 0.419 349 G N 2.488 111.312 108.800 0.041 0.000 2.611 349 G HA2 -0.404 3.558 3.960 0.003 0.000 0.301 349 G HA3 -0.404 3.558 3.960 0.003 0.000 0.301 349 G C 0.769 175.701 174.900 0.053 0.000 1.233 349 G CA 0.656 45.780 45.100 0.040 0.000 0.993 349 G HN 0.747 nan 8.290 nan 0.000 0.553 350 T N -0.462 114.123 114.554 0.051 0.000 3.107 350 T HA 0.603 4.955 4.350 0.003 0.000 0.249 350 T C 1.463 176.202 174.700 0.064 0.000 1.096 350 T CA 1.138 63.267 62.100 0.049 0.000 1.012 350 T CB -0.123 68.767 68.868 0.037 0.000 0.977 350 T HN 0.569 nan 8.240 nan 0.000 0.527 351 L N -0.380 120.896 121.223 0.087 0.000 2.798 351 L HA 0.872 5.214 4.340 0.003 0.000 0.230 351 L C 1.080 178.062 176.870 0.187 0.000 1.868 351 L CA -0.776 54.135 54.840 0.118 0.000 2.126 351 L CB 0.506 42.629 42.059 0.107 0.000 2.569 351 L HN 0.419 nan 8.230 nan 0.000 0.592 352 G N -0.893 108.023 108.800 0.193 0.000 2.351 352 G HA2 0.105 4.066 3.960 0.003 0.000 0.279 352 G HA3 0.105 4.066 3.960 0.003 0.000 0.279 352 G C -1.166 173.883 174.900 0.248 0.000 1.297 352 G CA -0.216 45.052 45.100 0.281 0.000 0.886 352 G HN 0.415 nan 8.290 nan 0.000 0.493 353 T N 0.671 115.393 114.554 0.280 0.000 2.940 353 T HA 0.363 4.715 4.350 0.003 0.000 0.309 353 T C 0.759 175.640 174.700 0.300 0.000 1.056 353 T CA 0.021 62.246 62.100 0.208 0.000 1.137 353 T CB -0.186 68.823 68.868 0.235 0.000 0.976 353 T HN 0.506 nan 8.240 nan 0.000 0.547 354 N N 2.267 120.991 118.700 0.041 0.000 2.354 354 N HA 0.514 5.255 4.740 0.003 0.000 0.246 354 N C -0.283 175.213 175.510 -0.023 0.000 1.285 354 N CA -0.164 52.771 53.050 -0.192 0.000 0.925 354 N CB 0.265 38.593 38.487 -0.265 0.000 1.174 354 N HN 0.686 nan 8.380 nan 0.000 0.478 355 F N -3.361 116.672 119.950 0.138 0.000 2.950 355 F HA 0.829 5.358 4.527 0.003 0.000 0.327 355 F C 0.554 176.311 175.800 -0.070 0.000 1.197 355 F CA -0.714 57.289 58.000 0.005 0.000 0.954 355 F CB 0.555 39.494 39.000 -0.102 0.000 1.442 355 F HN 0.657 nan 8.300 nan 0.000 0.509 356 G N 0.603 109.517 108.800 0.189 0.000 2.566 356 G HA2 -0.063 3.898 3.960 0.003 0.000 0.599 356 G HA3 -0.063 3.898 3.960 0.003 0.000 0.599 356 G C -0.018 174.859 174.900 -0.038 0.000 1.292 356 G CA -0.311 44.838 45.100 0.081 0.000 0.922 356 G HN 1.291 nan 8.290 nan 0.000 0.514 357 R N -1.361 119.110 120.500 -0.048 0.000 2.280 357 R HA 0.142 4.484 4.340 0.003 0.000 0.207 357 R C 1.964 178.268 176.300 0.008 0.000 1.043 357 R CA 1.832 57.905 56.100 -0.045 0.000 1.006 357 R CB -0.534 29.763 30.300 -0.005 0.000 0.885 357 R HN 0.425 nan 8.270 nan 0.000 0.467 358 c N 0.875 119.482 118.600 0.011 0.000 2.618 358 c HA 0.263 4.835 4.570 0.003 0.000 0.264 358 c C 0.724 174.797 174.090 -0.028 0.000 1.334 358 c CA -0.536 55.803 56.329 0.016 0.000 1.731 358 c CB -0.197 42.340 42.510 0.044 0.000 1.852 358 c HN 0.191 nan 8.230 nan 0.000 0.566 359 V N 2.347 122.216 119.914 -0.075 0.000 2.488 359 V HA 0.104 4.226 4.120 0.003 0.000 0.277 359 V C 0.701 176.708 176.094 -0.145 0.000 1.046 359 V CA 0.598 62.796 62.300 -0.171 0.000 0.986 359 V CB 0.950 32.588 31.823 -0.308 0.000 0.989 359 V HN 0.427 nan 8.190 nan 0.000 0.475 360 D N 3.801 124.119 120.400 -0.137 0.000 2.216 360 D HA 0.182 4.823 4.640 0.003 0.000 0.208 360 D C 0.389 176.644 176.300 -0.074 0.000 0.960 360 D CA 0.981 54.937 54.000 -0.073 0.000 0.861 360 D CB 0.828 41.601 40.800 -0.046 0.000 0.985 360 D HN 0.566 nan 8.370 nan 0.000 0.493 361 L N -3.898 117.230 121.223 -0.159 0.000 2.999 361 L HA 0.488 4.830 4.340 0.003 0.000 0.274 361 L C -1.640 175.066 176.870 -0.275 0.000 1.044 361 L CA -1.016 53.771 54.840 -0.088 0.000 0.943 361 L CB 1.243 43.310 42.059 0.014 0.000 1.522 361 L HN -0.336 nan 8.230 nan 0.000 0.400 362 F N 0.488 120.443 119.950 0.008 0.000 2.541 362 F HA 0.958 5.487 4.527 0.002 0.000 0.331 362 F C 0.574 176.363 175.800 -0.018 0.000 1.057 362 F CA -0.023 57.977 58.000 0.000 0.000 0.975 362 F CB 2.109 41.116 39.000 0.011 0.000 1.246 362 F HN 0.856 nan 8.300 nan 0.000 0.484 363 A N 1.041 123.945 122.820 0.140 0.000 2.609 363 A HA 0.758 5.079 4.320 0.003 0.000 0.291 363 A C -3.037 174.503 177.584 -0.074 0.000 1.096 363 A CA -1.955 50.081 52.037 -0.002 0.000 0.684 363 A CB 1.255 20.230 19.000 -0.041 0.000 1.282 363 A HN 0.381 nan 8.150 nan 0.000 0.412 364 P HA 0.254 nan 4.420 nan 0.000 0.261 364 P C 0.660 177.837 177.300 -0.204 0.000 1.183 364 P CA 1.082 64.012 63.100 -0.283 0.000 0.761 364 P CB 0.624 31.804 31.700 -0.867 0.000 0.785 365 G N 2.089 110.928 108.800 0.065 0.000 4.399 365 G HA2 0.064 4.026 3.960 0.003 0.000 0.268 365 G HA3 0.064 4.026 3.960 0.003 0.000 0.268 365 G C -0.273 174.711 174.900 0.139 0.000 1.038 365 G CA 0.022 45.176 45.100 0.089 0.000 0.811 365 G HN 0.486 nan 8.290 nan 0.000 0.408 366 E N 1.004 121.348 120.200 0.240 0.000 2.222 366 E HA 0.433 4.785 4.350 0.003 0.000 0.267 366 E C -0.652 176.143 176.600 0.326 0.000 0.884 366 E CA -0.636 55.887 56.400 0.204 0.000 0.764 366 E CB 1.355 31.115 29.700 0.101 0.000 1.169 366 E HN 0.014 nan 8.360 nan 0.000 0.413 367 D N 3.514 124.047 120.400 0.221 0.000 2.705 367 D HA -0.146 4.495 4.640 0.003 0.000 0.240 367 D C -1.145 175.370 176.300 0.358 0.000 1.137 367 D CA 0.432 54.584 54.000 0.254 0.000 0.677 367 D CB -0.766 40.167 40.800 0.222 0.000 1.049 367 D HN 0.301 nan 8.370 nan 0.000 0.427 368 I N 1.745 122.477 120.570 0.269 0.000 2.297 368 I HA 0.334 4.506 4.170 0.003 0.000 0.291 368 I C 1.042 177.326 176.117 0.280 0.000 1.033 368 I CA -0.984 60.459 61.300 0.237 0.000 1.253 368 I CB 0.586 38.746 38.000 0.268 0.000 1.396 368 I HN 0.209 nan 8.210 nan 0.000 0.476 369 I N 6.026 126.706 120.570 0.183 0.000 2.575 369 I HA 0.599 4.770 4.170 0.003 0.000 0.285 369 I C 0.528 176.728 176.117 0.137 0.000 1.085 369 I CA 0.866 62.287 61.300 0.202 0.000 1.403 369 I CB 0.944 39.009 38.000 0.109 0.000 1.409 369 I HN 0.701 nan 8.210 nan 0.000 0.557 370 G N 4.895 113.806 108.800 0.186 0.000 2.506 370 G HA2 0.611 4.573 3.960 0.003 0.000 0.292 370 G HA3 0.611 4.573 3.960 0.003 0.000 0.292 370 G C -1.440 173.356 174.900 -0.173 0.000 1.425 370 G CA -0.414 44.575 45.100 -0.185 0.000 0.788 370 G HN 0.858 nan 8.290 nan 0.000 0.490 371 A N 0.042 122.545 122.820 -0.528 0.000 2.567 371 A HA 0.515 4.837 4.320 0.003 0.000 0.240 371 A C 0.875 178.184 177.584 -0.459 0.000 1.053 371 A CA 1.163 52.670 52.037 -0.884 0.000 0.755 371 A CB 0.118 18.391 19.000 -1.211 0.000 0.978 371 A HN 1.940 nan 8.150 nan 0.000 0.507 372 S N 1.481 116.982 115.700 -0.332 0.000 2.454 372 S HA 0.412 4.884 4.470 0.003 0.000 0.306 372 S C 1.049 175.637 174.600 -0.019 0.000 1.100 372 S CA -0.028 58.127 58.200 -0.076 0.000 1.087 372 S CB 1.097 64.315 63.200 0.031 0.000 1.019 372 S HN 1.436 nan 8.310 nan 0.000 0.480 373 S N 3.068 118.769 115.700 0.002 0.000 2.607 373 S HA 0.005 4.477 4.470 0.003 0.000 0.224 373 S C 0.814 175.448 174.600 0.056 0.000 0.969 373 S CA 0.200 58.428 58.200 0.047 0.000 0.927 373 S CB -0.330 62.886 63.200 0.027 0.000 0.772 373 S HN 0.757 nan 8.310 nan 0.000 0.533 374 D N 1.757 122.187 120.400 0.051 0.000 2.116 374 D HA -0.052 4.590 4.640 0.003 0.000 0.193 374 D C 1.212 177.534 176.300 0.037 0.000 0.998 374 D CA 1.476 55.502 54.000 0.042 0.000 0.836 374 D CB -0.332 40.495 40.800 0.045 0.000 0.951 374 D HN 0.732 nan 8.370 nan 0.000 0.449 375 C N -2.205 117.122 119.300 0.045 0.000 3.307 375 C HA 0.471 4.933 4.460 0.003 0.000 0.333 375 C C 1.599 176.556 174.990 -0.054 0.000 1.291 375 C CA -0.096 58.924 59.018 0.005 0.000 1.273 375 C CB 1.167 28.906 27.740 -0.002 0.000 1.580 375 C HN 0.154 nan 8.230 nan 0.000 0.481 376 S N 0.266 115.872 115.700 -0.157 0.000 2.507 376 S HA -0.052 4.419 4.470 0.003 0.000 0.235 376 S C 0.998 175.129 174.600 -0.781 0.000 0.988 376 S CA 1.644 59.593 58.200 -0.419 0.000 0.944 376 S CB -0.835 62.219 63.200 -0.245 0.000 0.762 376 S HN 1.632 nan 8.310 nan 0.000 0.526 377 T N -2.687 111.638 114.554 -0.382 0.000 3.043 377 T HA 0.387 4.738 4.350 0.003 0.000 0.272 377 T C 0.425 175.130 174.700 0.008 0.000 0.990 377 T CA -0.432 61.538 62.100 -0.218 0.000 0.897 377 T CB -0.838 68.002 68.868 -0.047 0.000 1.111 377 T HN 0.317 nan 8.240 nan 0.000 0.529 378 C N 2.027 121.337 119.300 0.016 0.000 2.539 378 C HA 0.741 5.203 4.460 0.003 0.000 0.392 378 C C -0.261 174.768 174.990 0.065 0.000 1.269 378 C CA -0.606 58.493 59.018 0.134 0.000 2.250 378 C CB -0.820 26.977 27.740 0.094 0.000 2.584 378 C HN 0.503 nan 8.230 nan 0.000 0.589 379 F N 1.070 121.093 119.950 0.121 0.000 2.593 379 F HA 0.772 5.300 4.527 0.001 0.000 0.320 379 F C 0.176 176.030 175.800 0.090 0.000 1.060 379 F CA -0.570 57.488 58.000 0.096 0.000 0.940 379 F CB 1.526 40.568 39.000 0.069 0.000 1.268 379 F HN 0.341 nan 8.300 nan 0.000 0.475 380 V N 0.676 120.765 119.914 0.292 0.000 3.120 380 V HA 0.598 4.720 4.120 0.003 0.000 0.303 380 V C -1.308 174.938 176.094 0.253 0.000 1.238 380 V CA -0.447 61.981 62.300 0.214 0.000 1.008 380 V CB 2.454 34.355 31.823 0.129 0.000 1.064 380 V HN 0.711 nan 8.190 nan 0.000 0.434 381 S N 3.348 119.145 115.700 0.160 0.000 2.489 381 S HA 0.733 5.205 4.470 0.003 0.000 0.291 381 S C -0.771 173.841 174.600 0.019 0.000 1.151 381 S CA -0.434 57.861 58.200 0.157 0.000 1.082 381 S CB 1.066 64.348 63.200 0.137 0.000 1.019 381 S HN 0.757 nan 8.310 nan 0.000 0.492 382 Q N 1.496 121.269 119.800 -0.046 0.000 2.456 382 Q HA 0.592 4.934 4.340 0.003 0.000 0.283 382 Q C -1.431 174.557 176.000 -0.021 0.000 1.084 382 Q CA -0.895 54.811 55.803 -0.162 0.000 0.801 382 Q CB 2.397 30.809 28.738 -0.544 0.000 1.434 382 Q HN 0.592 nan 8.270 nan 0.000 0.419 383 S N -0.458 115.236 115.700 -0.010 0.000 2.548 383 S HA 0.971 5.443 4.470 0.003 0.000 0.286 383 S C -0.671 173.942 174.600 0.022 0.000 1.098 383 S CA -0.448 57.773 58.200 0.035 0.000 0.930 383 S CB 1.959 65.182 63.200 0.040 0.000 1.070 383 S HN 0.893 nan 8.310 nan 0.000 0.480 384 G N 0.460 109.280 108.800 0.034 0.000 2.353 384 G HA2 0.251 4.213 3.960 0.003 0.000 0.308 384 G HA3 0.251 4.213 3.960 0.003 0.000 0.308 384 G C 0.276 175.190 174.900 0.023 0.000 1.418 384 G CA -0.041 45.067 45.100 0.013 0.000 0.966 384 G HN 0.783 nan 8.290 nan 0.000 0.638 385 T N -1.796 112.753 114.554 -0.008 0.000 3.072 385 T HA 0.045 4.397 4.350 0.003 0.000 0.266 385 T C 2.302 177.011 174.700 0.015 0.000 1.127 385 T CA 2.160 64.257 62.100 -0.004 0.000 1.107 385 T CB -0.024 68.816 68.868 -0.047 0.000 0.910 385 T HN 0.503 nan 8.240 nan 0.000 0.513 386 S N 1.761 117.483 115.700 0.036 0.000 2.359 386 S HA -0.158 4.314 4.470 0.003 0.000 0.224 386 S C 2.224 176.846 174.600 0.037 0.000 1.035 386 S CA 1.429 59.659 58.200 0.050 0.000 1.018 386 S CB -0.407 62.858 63.200 0.108 0.000 0.876 386 S HN 0.481 nan 8.310 nan 0.000 0.448 387 Q N 0.966 120.804 119.800 0.063 0.000 2.124 387 Q HA 0.088 4.430 4.340 0.003 0.000 0.202 387 Q C 2.283 178.410 176.000 0.213 0.000 0.977 387 Q CA 1.500 57.379 55.803 0.126 0.000 0.850 387 Q CB -0.613 28.227 28.738 0.169 0.000 0.901 387 Q HN 0.556 nan 8.270 nan 0.000 0.429 388 A N 0.371 123.269 122.820 0.131 0.000 1.873 388 A HA -0.078 4.244 4.320 0.003 0.000 0.215 388 A C 2.254 179.896 177.584 0.098 0.000 1.186 388 A CA 1.705 53.802 52.037 0.099 0.000 0.616 388 A CB -1.049 17.970 19.000 0.033 0.000 0.823 388 A HN 0.379 nan 8.150 nan 0.000 0.442 389 A N -0.119 122.729 122.820 0.048 0.000 1.940 389 A HA 0.122 4.444 4.320 0.003 0.000 0.219 389 A C 2.463 180.059 177.584 0.020 0.000 1.176 389 A CA 2.121 54.170 52.037 0.020 0.000 0.631 389 A CB -0.958 18.045 19.000 0.005 0.000 0.814 389 A HN 1.093 nan 8.150 nan 0.000 0.446 390 A N -0.964 121.865 122.820 0.016 0.000 1.972 390 A HA -0.148 4.174 4.320 0.003 0.000 0.219 390 A C 1.905 179.432 177.584 -0.096 0.000 1.169 390 A CA 1.914 53.919 52.037 -0.055 0.000 0.635 390 A CB -0.809 18.130 19.000 -0.101 0.000 0.810 390 A HN 0.671 nan 8.150 nan 0.000 0.446 391 H N -0.964 118.061 119.070 -0.075 0.000 2.321 391 H HA -0.063 4.494 4.556 0.002 0.000 0.300 391 H C 2.043 177.325 175.328 -0.078 0.000 1.087 391 H CA 1.863 57.856 56.048 -0.092 0.000 1.319 391 H CB -0.124 29.578 29.762 -0.100 0.000 1.379 391 H HN 0.241 nan 8.280 nan 0.000 0.501 392 V N 0.442 120.396 119.914 0.068 0.000 2.626 392 V HA -0.197 3.925 4.120 0.003 0.000 0.252 392 V C 2.440 178.527 176.094 -0.011 0.000 1.067 392 V CA 1.392 63.703 62.300 0.019 0.000 1.081 392 V CB -0.854 30.975 31.823 0.010 0.000 0.686 392 V HN 0.559 nan 8.190 nan 0.000 0.468 393 A N 0.624 123.431 122.820 -0.023 0.000 1.929 393 A HA -0.000 4.321 4.320 0.003 0.000 0.216 393 A C 2.402 179.953 177.584 -0.055 0.000 1.176 393 A CA 1.653 53.670 52.037 -0.033 0.000 0.628 393 A CB -0.977 18.002 19.000 -0.035 0.000 0.816 393 A HN 0.498 nan 8.150 nan 0.000 0.444 394 G N 0.120 108.871 108.800 -0.083 0.000 2.402 394 G HA2 -0.166 3.796 3.960 0.003 0.000 0.216 394 G HA3 -0.166 3.796 3.960 0.003 0.000 0.216 394 G C 1.523 176.364 174.900 -0.099 0.000 1.162 394 G CA 1.081 46.116 45.100 -0.108 0.000 0.777 394 G HN 0.457 nan 8.290 nan 0.000 0.539 395 I N 1.402 121.925 120.570 -0.078 0.000 2.179 395 I HA -0.193 3.979 4.170 0.003 0.000 0.242 395 I C 3.305 179.388 176.117 -0.056 0.000 1.088 395 I CA 0.990 62.246 61.300 -0.074 0.000 1.357 395 I CB -0.221 37.756 38.000 -0.037 0.000 1.051 395 I HN 0.248 nan 8.210 nan 0.000 0.409 396 A N 0.723 123.521 122.820 -0.036 0.000 1.940 396 A HA -0.195 4.127 4.320 0.003 0.000 0.219 396 A C 2.517 180.084 177.584 -0.027 0.000 1.176 396 A CA 1.962 53.985 52.037 -0.022 0.000 0.631 396 A CB -0.783 18.208 19.000 -0.014 0.000 0.814 396 A HN 0.455 nan 8.150 nan 0.000 0.446 397 A N -0.784 122.010 122.820 -0.043 0.000 1.930 397 A HA -0.043 4.279 4.320 0.003 0.000 0.217 397 A C 2.230 179.782 177.584 -0.054 0.000 1.175 397 A CA 1.636 53.647 52.037 -0.044 0.000 0.627 397 A CB -0.471 18.496 19.000 -0.056 0.000 0.815 397 A HN 0.528 nan 8.150 nan 0.000 0.443 398 M N -1.366 118.176 119.600 -0.098 0.000 2.254 398 M HA -0.053 4.429 4.480 0.003 0.000 0.265 398 M C 2.292 178.562 176.300 -0.049 0.000 1.066 398 M CA 1.294 56.500 55.300 -0.157 0.000 1.123 398 M CB -0.394 31.993 32.600 -0.355 0.000 1.388 398 M HN 0.419 nan 8.290 nan 0.000 0.425 399 M N -0.061 119.540 119.600 0.001 0.000 2.132 399 M HA -0.162 4.319 4.480 0.003 0.000 0.263 399 M C 1.948 178.287 176.300 0.065 0.000 1.065 399 M CA 1.497 56.851 55.300 0.091 0.000 1.122 399 M CB -0.288 32.340 32.600 0.047 0.000 1.365 399 M HN 0.253 nan 8.290 nan 0.000 0.411 400 L N -1.290 119.949 121.223 0.027 0.000 2.313 400 L HA -0.069 4.272 4.340 0.003 0.000 0.214 400 L C 2.606 179.493 176.870 0.027 0.000 1.119 400 L CA 0.427 55.280 54.840 0.021 0.000 0.809 400 L CB -0.416 41.649 42.059 0.010 0.000 0.933 400 L HN 0.268 nan 8.230 nan 0.000 0.449 401 S N -0.126 115.591 115.700 0.029 0.000 2.402 401 S HA -0.106 4.366 4.470 0.003 0.000 0.229 401 S C 2.004 176.639 174.600 0.059 0.000 1.021 401 S CA 1.275 59.495 58.200 0.032 0.000 0.974 401 S CB 0.097 63.307 63.200 0.016 0.000 0.800 401 S HN 0.454 nan 8.310 nan 0.000 0.484 402 A N 0.271 123.151 122.820 0.100 0.000 1.984 402 A HA 0.285 4.607 4.320 0.003 0.000 0.214 402 A C 0.802 178.420 177.584 0.056 0.000 1.173 402 A CA 0.230 52.331 52.037 0.107 0.000 0.673 402 A CB 0.082 19.198 19.000 0.193 0.000 0.830 402 A HN 0.572 nan 8.150 nan 0.000 0.453 403 E N -0.321 119.905 120.200 0.043 0.000 3.108 403 E HA 0.190 4.541 4.350 0.003 0.000 0.228 403 E C -2.300 174.307 176.600 0.011 0.000 1.176 403 E CA -1.737 54.671 56.400 0.013 0.000 0.881 403 E CB 1.226 30.914 29.700 -0.021 0.000 1.354 403 E HN 0.178 nan 8.360 nan 0.000 0.400 404 P HA -0.178 nan 4.420 nan 0.000 0.221 404 P C 0.959 178.266 177.300 0.012 0.000 1.145 404 P CA 1.019 64.128 63.100 0.015 0.000 0.795 404 P CB 0.385 32.095 31.700 0.016 0.000 0.775 405 E N -1.044 119.162 120.200 0.010 0.000 2.442 405 E HA 0.078 4.429 4.350 0.003 0.000 0.195 405 E C 0.830 177.434 176.600 0.007 0.000 1.030 405 E CA -0.148 56.259 56.400 0.011 0.000 0.869 405 E CB -0.195 29.514 29.700 0.015 0.000 0.857 405 E HN 0.332 nan 8.360 nan 0.000 0.505 406 L N 2.681 123.902 121.223 -0.003 0.000 2.615 406 L HA -0.063 4.279 4.340 0.003 0.000 0.284 406 L C 1.017 177.887 176.870 0.000 0.000 1.237 406 L CA 0.433 55.267 54.840 -0.010 0.000 0.905 406 L CB 0.264 42.311 42.059 -0.020 0.000 1.149 406 L HN 0.099 nan 8.230 nan 0.000 0.499 407 T N 0.721 115.278 114.554 0.004 0.000 2.902 407 T HA 0.180 4.531 4.350 0.003 0.000 0.280 407 T C 0.903 175.603 174.700 0.000 0.000 0.992 407 T CA -0.886 61.219 62.100 0.007 0.000 1.015 407 T CB 1.427 70.305 68.868 0.017 0.000 1.044 407 T HN 0.493 nan 8.240 nan 0.000 0.520 408 L N 1.731 122.955 121.223 0.002 0.000 2.012 408 L HA 0.060 4.402 4.340 0.003 0.000 0.210 408 L C 2.754 179.621 176.870 -0.006 0.000 1.073 408 L CA 2.565 57.404 54.840 -0.002 0.000 0.748 408 L CB -1.606 40.453 42.059 0.000 0.000 0.891 408 L HN 0.926 nan 8.230 nan 0.000 0.431 409 A N -0.677 122.144 122.820 0.002 0.000 1.883 409 A HA -0.261 4.061 4.320 0.003 0.000 0.217 409 A C 2.156 179.733 177.584 -0.012 0.000 1.186 409 A CA 2.012 54.052 52.037 0.004 0.000 0.624 409 A CB -0.758 18.255 19.000 0.021 0.000 0.822 409 A HN 0.659 nan 8.150 nan 0.000 0.444 410 E N -0.642 119.551 120.200 -0.011 0.000 2.077 410 E HA -0.156 4.195 4.350 0.003 0.000 0.193 410 E C 2.011 178.556 176.600 -0.092 0.000 0.989 410 E CA 1.149 57.526 56.400 -0.039 0.000 0.800 410 E CB -0.263 29.430 29.700 -0.011 0.000 0.746 410 E HN 0.634 nan 8.360 nan 0.000 0.452 411 L N 1.052 122.242 121.223 -0.055 0.000 2.093 411 L HA -0.167 4.175 4.340 0.003 0.000 0.208 411 L C 2.643 179.479 176.870 -0.057 0.000 1.085 411 L CA 1.261 56.070 54.840 -0.051 0.000 0.755 411 L CB -0.063 41.981 42.059 -0.024 0.000 0.904 411 L HN -0.007 nan 8.230 nan 0.000 0.435 412 R N -0.881 119.590 120.500 -0.049 0.000 2.081 412 R HA -0.170 4.172 4.340 0.003 0.000 0.235 412 R C 2.244 178.502 176.300 -0.071 0.000 1.131 412 R CA 1.562 57.638 56.100 -0.040 0.000 0.960 412 R CB -0.183 30.104 30.300 -0.021 0.000 0.856 412 R HN 0.484 nan 8.270 nan 0.000 0.436 413 Q N 0.123 119.848 119.800 -0.126 0.000 2.170 413 Q HA -0.148 4.194 4.340 0.003 0.000 0.203 413 Q C 2.137 177.891 176.000 -0.410 0.000 0.976 413 Q CA 1.340 57.010 55.803 -0.222 0.000 0.858 413 Q CB -0.073 28.522 28.738 -0.239 0.000 0.907 413 Q HN 0.412 nan 8.270 nan 0.000 0.433 414 R N 0.107 120.371 120.500 -0.394 0.000 2.073 414 R HA 0.011 4.352 4.340 0.003 0.000 0.229 414 R C 2.502 178.867 176.300 0.107 0.000 1.120 414 R CA 0.567 56.532 56.100 -0.225 0.000 0.967 414 R CB -0.227 30.026 30.300 -0.077 0.000 0.862 414 R HN 0.186 nan 8.270 nan 0.000 0.436 415 L N 0.619 121.866 121.223 0.041 0.000 2.012 415 L HA -0.232 4.109 4.340 0.003 0.000 0.210 415 L C 2.387 179.301 176.870 0.072 0.000 1.073 415 L CA 1.451 56.336 54.840 0.075 0.000 0.748 415 L CB -0.383 41.693 42.059 0.027 0.000 0.891 415 L HN 0.219 nan 8.230 nan 0.000 0.431 416 I N -1.091 119.493 120.570 0.022 0.000 2.179 416 I HA -0.349 3.823 4.170 0.003 0.000 0.242 416 I C 2.582 178.707 176.117 0.014 0.000 1.088 416 I CA 1.507 62.821 61.300 0.024 0.000 1.357 416 I CB -0.458 37.553 38.000 0.018 0.000 1.051 416 I HN 0.328 nan 8.210 nan 0.000 0.409 417 H N 0.687 119.676 119.070 -0.136 0.000 2.387 417 H HA -0.135 4.423 4.556 0.003 0.000 0.299 417 H C 1.525 176.674 175.328 -0.298 0.000 1.090 417 H CA 1.799 57.702 56.048 -0.243 0.000 1.332 417 H CB -0.058 29.449 29.762 -0.425 0.000 1.386 417 H HN 0.246 nan 8.280 nan 0.000 0.516 418 F N 0.006 119.956 119.950 -0.001 0.000 2.693 418 F HA 0.250 4.779 4.527 0.003 0.000 0.303 418 F C 0.885 176.674 175.800 -0.018 0.000 1.097 418 F CA -0.290 57.702 58.000 -0.013 0.000 1.330 418 F CB 0.377 39.423 39.000 0.076 0.000 1.067 418 F HN -0.062 nan 8.300 nan 0.000 0.565 419 S N 0.667 116.425 115.700 0.095 0.000 2.592 419 S HA 0.538 5.009 4.470 0.003 0.000 0.271 419 S C 0.396 175.019 174.600 0.039 0.000 1.326 419 S CA -0.803 57.440 58.200 0.073 0.000 1.024 419 S CB 0.996 64.235 63.200 0.065 0.000 0.921 419 S HN 0.208 nan 8.310 nan 0.000 0.527 420 A N 2.451 125.298 122.820 0.045 0.000 2.492 420 A HA 0.347 4.669 4.320 0.003 0.000 0.254 420 A C -0.025 177.574 177.584 0.025 0.000 1.091 420 A CA -0.073 51.982 52.037 0.029 0.000 0.768 420 A CB -0.128 18.891 19.000 0.031 0.000 1.028 420 A HN 0.583 nan 8.150 nan 0.000 0.498 421 K N 1.720 122.127 120.400 0.010 0.000 2.143 421 K HA 0.394 4.716 4.320 0.003 0.000 0.272 421 K C 0.022 176.629 176.600 0.012 0.000 1.001 421 K CA -0.128 56.167 56.287 0.014 0.000 0.915 421 K CB 0.693 33.194 32.500 0.003 0.000 1.047 421 K HN 0.651 nan 8.250 nan 0.000 0.458 422 D N 0.400 120.810 120.400 0.017 0.000 3.012 422 D HA -0.150 4.492 4.640 0.003 0.000 0.222 422 D C 0.685 176.978 176.300 -0.011 0.000 1.167 422 D CA 1.191 55.195 54.000 0.007 0.000 0.854 422 D CB -1.352 39.453 40.800 0.009 0.000 1.107 422 D HN 0.376 nan 8.370 nan 0.000 0.421 423 V N -2.403 117.500 119.914 -0.018 0.000 3.406 423 V HA 0.157 4.278 4.120 0.003 0.000 0.263 423 V C 1.243 177.293 176.094 -0.074 0.000 1.172 423 V CA 0.291 62.569 62.300 -0.037 0.000 1.140 423 V CB -0.005 31.802 31.823 -0.026 0.000 0.784 423 V HN 0.201 nan 8.190 nan 0.000 0.467 424 I N 2.394 122.910 120.570 -0.090 0.000 2.365 424 I HA 0.323 4.495 4.170 0.003 0.000 0.291 424 I C 0.129 176.164 176.117 -0.137 0.000 1.004 424 I CA -0.275 60.928 61.300 -0.162 0.000 1.311 424 I CB 1.042 38.910 38.000 -0.219 0.000 1.401 424 I HN 0.070 nan 8.210 nan 0.000 0.491 425 N N 5.805 124.399 118.700 -0.177 0.000 2.401 425 N HA -0.020 4.721 4.740 0.003 0.000 0.255 425 N C 0.996 176.387 175.510 -0.199 0.000 1.110 425 N CA -0.095 52.871 53.050 -0.141 0.000 0.949 425 N CB 0.704 39.120 38.487 -0.118 0.000 1.110 425 N HN 0.639 nan 8.380 nan 0.000 0.490 426 E N 2.864 123.001 120.200 -0.105 0.000 2.478 426 E HA -0.082 4.269 4.350 0.003 0.000 0.198 426 E C 1.013 177.560 176.600 -0.087 0.000 1.046 426 E CA 0.458 56.827 56.400 -0.052 0.000 0.870 426 E CB -0.025 29.756 29.700 0.134 0.000 0.818 426 E HN 0.550 nan 8.360 nan 0.000 0.527 427 A N 1.178 123.945 122.820 -0.089 0.000 2.019 427 A HA -0.160 4.161 4.320 0.003 0.000 0.219 427 A C 1.772 179.299 177.584 -0.094 0.000 1.164 427 A CA 1.052 53.049 52.037 -0.066 0.000 0.644 427 A CB -1.172 17.798 19.000 -0.051 0.000 0.805 427 A HN 0.640 nan 8.150 nan 0.000 0.449 428 W N -0.103 120.955 121.300 -0.402 0.000 2.342 428 W HA -0.056 4.605 4.660 0.003 0.000 0.297 428 W C 0.122 176.384 176.519 -0.428 0.000 1.213 428 W CA 0.996 58.072 57.345 -0.449 0.000 1.251 428 W CB -0.164 28.924 29.460 -0.620 0.000 1.136 428 W HN 0.193 nan 8.180 nan 0.000 0.526 429 F N 2.488 122.485 119.950 0.078 0.000 2.410 429 F HA 0.218 4.747 4.527 0.003 0.000 0.334 429 F C -1.186 174.409 175.800 -0.342 0.000 1.134 429 F CA -2.713 55.130 58.000 -0.262 0.000 1.227 429 F CB -0.484 38.356 39.000 -0.266 0.000 1.194 429 F HN -0.342 nan 8.300 nan 0.000 0.571 430 P HA -0.062 nan 4.420 nan 0.000 0.268 430 P C 0.364 177.607 177.300 -0.094 0.000 1.208 430 P CA 0.081 63.079 63.100 -0.170 0.000 0.777 430 P CB 0.756 32.362 31.700 -0.156 0.000 0.875 431 E N 1.835 122.006 120.200 -0.049 0.000 2.070 431 E HA -0.267 4.084 4.350 0.003 0.000 0.197 431 E C 0.995 177.587 176.600 -0.013 0.000 1.004 431 E CA 1.790 58.180 56.400 -0.016 0.000 0.805 431 E CB -0.191 29.511 29.700 0.004 0.000 0.744 431 E HN 0.506 nan 8.360 nan 0.000 0.451 432 D N -0.541 119.855 120.400 -0.005 0.000 2.363 432 D HA -0.131 4.510 4.640 0.003 0.000 0.226 432 D C 1.189 177.462 176.300 -0.045 0.000 1.020 432 D CA 0.456 54.467 54.000 0.018 0.000 0.892 432 D CB 0.069 40.905 40.800 0.060 0.000 0.900 432 D HN 0.207 nan 8.370 nan 0.000 0.531 433 Q N -0.191 119.549 119.800 -0.099 0.000 2.246 433 Q HA 0.217 4.559 4.340 0.003 0.000 0.222 433 Q C 1.752 177.614 176.000 -0.230 0.000 0.851 433 Q CA -0.092 55.611 55.803 -0.167 0.000 0.945 433 Q CB 0.501 29.116 28.738 -0.204 0.000 1.122 433 Q HN 0.334 nan 8.270 nan 0.000 0.508 434 R N 0.070 120.486 120.500 -0.141 0.000 2.092 434 R HA -0.048 4.294 4.340 0.003 0.000 0.231 434 R C 2.217 178.398 176.300 -0.198 0.000 1.119 434 R CA 1.072 57.128 56.100 -0.074 0.000 0.970 434 R CB -0.165 30.140 30.300 0.008 0.000 0.864 434 R HN -0.000 nan 8.270 nan 0.000 0.440 435 V N 0.890 120.597 119.914 -0.344 0.000 2.719 435 V HA -0.059 4.063 4.120 0.003 0.000 0.252 435 V C 1.621 177.186 176.094 -0.882 0.000 1.065 435 V CA 1.349 63.309 62.300 -0.568 0.000 1.086 435 V CB -0.023 31.348 31.823 -0.754 0.000 0.700 435 V HN 0.275 nan 8.190 nan 0.000 0.467 436 L N -0.230 120.473 121.223 -0.866 0.000 2.418 436 L HA 0.095 4.437 4.340 0.003 0.000 0.218 436 L C 0.818 177.395 176.870 -0.488 0.000 1.125 436 L CA 0.496 54.770 54.840 -0.943 0.000 0.835 436 L CB -0.369 41.281 42.059 -0.681 0.000 0.953 436 L HN 0.247 nan 8.230 nan 0.000 0.454 437 T N 1.562 115.908 114.554 -0.347 0.000 2.749 437 T HA 0.328 4.680 4.350 0.003 0.000 0.287 437 T C -2.321 172.337 174.700 -0.069 0.000 0.970 437 T CA -1.220 60.752 62.100 -0.214 0.000 0.980 437 T CB 1.386 69.993 68.868 -0.435 0.000 0.924 437 T HN -0.145 nan 8.240 nan 0.000 0.456 438 P HA 0.136 nan 4.420 nan 0.000 0.267 438 P C -0.007 177.410 177.300 0.195 0.000 1.205 438 P CA -0.386 62.774 63.100 0.099 0.000 0.765 438 P CB 0.367 32.123 31.700 0.094 0.000 0.828 439 N N 4.079 122.857 118.700 0.130 0.000 3.188 439 N HA 0.163 4.904 4.740 0.003 0.000 0.279 439 N C -1.214 174.362 175.510 0.110 0.000 1.213 439 N CA 0.096 53.215 53.050 0.115 0.000 1.138 439 N CB -0.556 37.974 38.487 0.071 0.000 1.417 439 N HN 0.358 nan 8.380 nan 0.000 0.526 440 L N 1.218 122.553 121.223 0.186 0.000 2.410 440 L HA 0.526 4.868 4.340 0.003 0.000 0.270 440 L C -0.613 176.376 176.870 0.197 0.000 0.983 440 L CA -1.009 53.923 54.840 0.153 0.000 0.822 440 L CB 2.372 44.511 42.059 0.133 0.000 1.285 440 L HN -0.184 nan 8.230 nan 0.000 0.409 441 V N 2.128 122.113 119.914 0.119 0.000 2.448 441 V HA 0.559 4.681 4.120 0.003 0.000 0.295 441 V C 0.515 176.655 176.094 0.077 0.000 1.025 441 V CA -0.709 61.659 62.300 0.113 0.000 0.859 441 V CB 1.723 33.589 31.823 0.071 0.000 0.988 441 V HN 0.884 nan 8.190 nan 0.000 0.431 442 A N 3.988 126.848 122.820 0.067 0.000 2.520 442 A HA 0.700 5.022 4.320 0.003 0.000 0.235 442 A C 0.414 178.016 177.584 0.030 0.000 1.065 442 A CA 0.675 52.740 52.037 0.046 0.000 0.764 442 A CB 0.227 19.245 19.000 0.029 0.000 1.002 442 A HN 1.686 nan 8.150 nan 0.000 0.502 443 A N 1.577 124.424 122.820 0.045 0.000 2.594 443 A HA 0.608 4.929 4.320 0.003 0.000 0.295 443 A C -0.582 177.021 177.584 0.032 0.000 1.071 443 A CA -0.679 51.374 52.037 0.026 0.000 0.685 443 A CB 0.640 19.670 19.000 0.049 0.000 1.285 443 A HN 0.866 nan 8.150 nan 0.000 0.405 444 L N 2.139 123.351 121.223 -0.019 0.000 2.499 444 L HA 0.218 4.560 4.340 0.003 0.000 0.273 444 L C -1.978 174.906 176.870 0.023 0.000 1.195 444 L CA -1.164 53.675 54.840 -0.002 0.000 0.882 444 L CB 0.540 42.566 42.059 -0.054 0.000 1.133 444 L HN 0.425 nan 8.230 nan 0.000 0.483 445 P HA 0.008 nan 4.420 nan 0.000 0.264 445 P C -2.048 175.180 177.300 -0.121 0.000 1.193 445 P CA -0.954 61.880 63.100 -0.443 0.000 0.763 445 P CB 0.105 31.348 31.700 -0.760 0.000 0.810 446 P HA -0.052 nan 4.420 nan 0.000 0.251 446 P C -0.667 176.596 177.300 -0.063 0.000 1.251 446 P CA 0.768 63.910 63.100 0.070 0.000 0.763 446 P CB -0.083 31.673 31.700 0.094 0.000 1.067 447 S N -3.427 112.141 115.700 -0.220 0.000 2.603 447 S HA 0.291 4.762 4.470 0.003 0.000 0.274 447 S C 0.709 175.054 174.600 -0.425 0.000 1.168 447 S CA -0.533 57.490 58.200 -0.294 0.000 0.963 447 S CB 0.866 63.974 63.200 -0.153 0.000 1.078 447 S HN -0.238 nan 8.310 nan 0.000 0.477 448 T N 2.001 116.219 114.554 -0.560 0.000 2.803 448 T HA -0.017 4.335 4.350 0.003 0.000 0.269 448 T C 0.480 175.151 174.700 -0.048 0.000 1.052 448 T CA 1.971 63.842 62.100 -0.382 0.000 1.136 448 T CB -0.581 68.108 68.868 -0.298 0.000 0.864 448 T HN 0.859 nan 8.240 nan 0.000 0.467 454 Q N 3.260 122.486 119.800 -0.957 0.000 2.575 454 Q HA 0.627 4.969 4.340 0.003 0.000 0.290 454 Q C -2.121 172.923 176.000 -1.594 0.000 0.963 454 Q CA -1.331 53.898 55.803 -0.957 0.000 0.783 454 Q CB 2.512 30.748 28.738 -0.837 0.000 1.467 454 Q HN 0.571 nan 8.270 nan 0.000 0.402 455 L N 1.539 122.238 121.223 -0.873 0.000 2.255 455 L HA 0.513 4.855 4.340 0.003 0.000 0.289 455 L C -1.742 174.789 176.870 -0.565 0.000 1.046 455 L CA -0.096 54.404 54.840 -0.567 0.000 0.816 455 L CB 0.214 42.197 42.059 -0.127 0.000 1.197 455 L HN 0.540 nan 8.230 nan 0.000 0.427 456 F N 4.223 124.021 119.950 -0.254 0.000 2.408 456 F HA 0.546 5.075 4.527 0.003 0.000 0.344 456 F C 0.391 176.151 175.800 -0.067 0.000 1.112 456 F CA -0.336 57.553 58.000 -0.185 0.000 1.096 456 F CB 1.084 39.960 39.000 -0.206 0.000 1.129 456 F HN 0.404 nan 8.300 nan 0.000 0.486 457 c N 3.271 121.973 118.600 0.171 0.000 2.802 457 c HA 0.845 5.417 4.570 0.003 0.000 0.307 457 c C -0.377 173.783 174.090 0.116 0.000 1.222 457 c CA -1.123 55.279 56.329 0.121 0.000 1.580 457 c CB 2.325 44.890 42.510 0.092 0.000 2.119 457 c HN 0.932 nan 8.230 nan 0.000 0.479 458 R N 0.253 120.806 120.500 0.088 0.000 2.837 458 R HA 0.800 5.142 4.340 0.003 0.000 0.271 458 R C -1.326 175.016 176.300 0.070 0.000 0.993 458 R CA -0.302 55.846 56.100 0.080 0.000 0.931 458 R CB 1.095 31.435 30.300 0.066 0.000 1.206 458 R HN 0.567 nan 8.270 nan 0.000 0.474 459 T N 1.229 115.832 114.554 0.082 0.000 2.837 459 T HA 0.372 4.724 4.350 0.003 0.000 0.285 459 T C -0.587 174.167 174.700 0.090 0.000 0.984 459 T CA -0.523 61.616 62.100 0.065 0.000 1.049 459 T CB 1.441 70.366 68.868 0.096 0.000 0.947 459 T HN 0.312 nan 8.240 nan 0.000 0.472 460 V N 3.715 123.649 119.914 0.033 0.000 2.376 460 V HA 0.337 4.458 4.120 0.003 0.000 0.287 460 V C -0.905 175.222 176.094 0.056 0.000 1.015 460 V CA -1.107 61.241 62.300 0.079 0.000 0.834 460 V CB 0.896 32.749 31.823 0.050 0.000 1.001 460 V HN 0.840 nan 8.190 nan 0.000 0.428 461 W N 3.280 124.573 121.300 -0.011 0.000 2.316 461 W HA 0.553 5.215 4.660 0.003 0.000 0.321 461 W C 1.059 177.607 176.519 0.049 0.000 1.203 461 W CA 0.043 57.383 57.345 -0.007 0.000 1.214 461 W CB 1.375 30.776 29.460 -0.098 0.000 1.169 461 W HN 0.661 nan 8.180 nan 0.000 0.561 462 S N 2.120 118.011 115.700 0.319 0.000 2.681 462 S HA 0.805 5.276 4.470 0.003 0.000 0.270 462 S C 0.163 174.980 174.600 0.362 0.000 1.209 462 S CA -0.858 57.491 58.200 0.247 0.000 0.988 462 S CB 0.919 64.204 63.200 0.143 0.000 1.006 462 S HN 0.686 nan 8.310 nan 0.000 0.558 463 A N 0.394 123.350 122.820 0.225 0.000 2.406 463 A HA 0.303 4.624 4.320 0.003 0.000 0.243 463 A C 0.231 177.911 177.584 0.160 0.000 1.082 463 A CA -0.198 51.971 52.037 0.221 0.000 0.786 463 A CB -0.756 18.303 19.000 0.098 0.000 1.029 463 A HN 0.988 nan 8.150 nan 0.000 0.495 464 H N 0.451 119.502 119.070 -0.032 0.000 2.948 464 H HA 0.130 4.687 4.556 0.003 0.000 0.351 464 H C 1.671 176.872 175.328 -0.211 0.000 1.079 464 H CA 1.275 57.093 56.048 -0.383 0.000 1.407 464 H CB 0.804 30.375 29.762 -0.319 0.000 1.373 464 H HN 0.714 nan 8.280 nan 0.000 0.605 465 S N 2.659 118.159 115.700 -0.334 0.000 2.414 465 S HA 0.195 4.667 4.470 0.003 0.000 0.227 465 S C 0.986 175.571 174.600 -0.025 0.000 1.022 465 S CA 0.343 58.446 58.200 -0.161 0.000 0.958 465 S CB -0.189 62.875 63.200 -0.227 0.000 0.797 465 S HN 1.202 nan 8.310 nan 0.000 0.493 466 G N 1.182 110.050 108.800 0.113 0.000 2.629 466 G HA2 0.012 3.974 3.960 0.003 0.000 0.686 466 G HA3 0.012 3.974 3.960 0.003 0.000 0.686 466 G C -2.629 172.302 174.900 0.053 0.000 1.232 466 G CA -0.474 44.684 45.100 0.095 0.000 0.803 466 G HN 0.128 nan 8.290 nan 0.000 0.638 467 P HA 0.056 nan 4.420 nan 0.000 0.226 467 P C 1.360 178.679 177.300 0.032 0.000 1.153 467 P CA 1.302 64.424 63.100 0.036 0.000 0.777 467 P CB 0.012 31.728 31.700 0.026 0.000 0.794 468 T N 0.802 115.373 114.554 0.028 0.000 2.934 468 T HA -0.076 4.275 4.350 0.003 0.000 0.321 468 T C 1.657 176.397 174.700 0.067 0.000 1.080 468 T CA 0.183 62.307 62.100 0.040 0.000 1.132 468 T CB 0.439 69.324 68.868 0.029 0.000 1.039 468 T HN 0.314 nan 8.240 nan 0.000 0.543 469 R N 1.690 122.263 120.500 0.121 0.000 2.148 469 R HA 0.062 4.404 4.340 0.003 0.000 0.223 469 R C 1.328 177.777 176.300 0.248 0.000 1.088 469 R CA 0.963 57.219 56.100 0.260 0.000 0.985 469 R CB 0.011 30.532 30.300 0.369 0.000 0.880 469 R HN 0.418 nan 8.270 nan 0.000 0.451 470 M N 1.131 120.827 119.600 0.160 0.000 2.475 470 M HA 0.340 4.822 4.480 0.003 0.000 0.283 470 M C -0.023 176.310 176.300 0.055 0.000 1.165 470 M CA -0.469 54.907 55.300 0.125 0.000 0.976 470 M CB 1.035 33.705 32.600 0.117 0.000 1.428 470 M HN 0.171 nan 8.290 nan 0.000 0.495 471 A N 1.704 124.537 122.820 0.022 0.000 2.440 471 A HA 0.470 4.791 4.320 0.003 0.000 0.251 471 A C 0.604 178.151 177.584 -0.062 0.000 1.089 471 A CA 0.076 52.101 52.037 -0.019 0.000 0.779 471 A CB -0.012 18.971 19.000 -0.027 0.000 1.022 471 A HN 0.468 nan 8.150 nan 0.000 0.492 472 T N -0.774 113.726 114.554 -0.090 0.000 2.893 472 T HA 0.761 5.113 4.350 0.003 0.000 0.291 472 T C -0.379 174.223 174.700 -0.164 0.000 1.028 472 T CA -0.071 61.924 62.100 -0.174 0.000 0.995 472 T CB 1.714 70.452 68.868 -0.218 0.000 1.051 472 T HN 1.539 nan 8.240 nan 0.000 0.470 473 A N 2.615 125.317 122.820 -0.198 0.000 2.325 473 A HA 0.861 5.182 4.320 0.003 0.000 0.333 473 A C -0.474 177.031 177.584 -0.132 0.000 1.155 473 A CA -1.060 50.894 52.037 -0.138 0.000 0.814 473 A CB 0.538 19.461 19.000 -0.128 0.000 1.206 473 A HN 0.921 nan 8.150 nan 0.000 0.482 474 I N 1.166 121.690 120.570 -0.076 0.000 2.466 474 I HA 0.555 4.727 4.170 0.003 0.000 0.289 474 I C 0.172 176.275 176.117 -0.024 0.000 1.026 474 I CA -0.434 60.825 61.300 -0.068 0.000 1.078 474 I CB 2.109 40.072 38.000 -0.061 0.000 1.249 474 I HN 0.701 nan 8.210 nan 0.000 0.429 475 A N 6.975 129.777 122.820 -0.030 0.000 2.331 475 A HA 0.833 5.155 4.320 0.003 0.000 0.320 475 A C -0.513 177.065 177.584 -0.011 0.000 1.138 475 A CA -0.604 51.430 52.037 -0.005 0.000 0.790 475 A CB 1.000 19.988 19.000 -0.019 0.000 1.206 475 A HN 0.767 nan 8.150 nan 0.000 0.470 476 R N 0.724 121.228 120.500 0.007 0.000 2.854 476 R HA 0.629 4.971 4.340 0.003 0.000 0.271 476 R C -1.045 175.264 176.300 0.016 0.000 0.996 476 R CA -0.549 55.555 56.100 0.006 0.000 0.961 476 R CB 1.889 32.195 30.300 0.009 0.000 1.182 476 R HN 0.750 nan 8.270 nan 0.000 0.479 477 c N 0.925 119.534 118.600 0.015 0.000 2.349 477 c HA 0.648 5.220 4.570 0.003 0.000 0.361 477 c C 0.889 174.993 174.090 0.023 0.000 1.189 477 c CA -0.641 55.702 56.329 0.023 0.000 2.155 477 c CB 1.225 43.750 42.510 0.025 0.000 2.336 477 c HN 0.885 nan 8.230 nan 0.000 0.540 478 A N 2.085 124.921 122.820 0.026 0.000 2.448 478 A HA 0.336 4.658 4.320 0.003 0.000 0.239 478 A C -1.402 176.197 177.584 0.024 0.000 1.080 478 A CA -0.397 51.654 52.037 0.024 0.000 0.779 478 A CB -0.500 18.515 19.000 0.024 0.000 1.026 478 A HN 0.743 nan 8.150 nan 0.000 0.499 479 P HA -0.122 nan 4.420 nan 0.000 0.216 479 P C 0.297 177.612 177.300 0.026 0.000 1.150 479 P CA 1.446 64.558 63.100 0.021 0.000 0.837 479 P CB 0.104 31.814 31.700 0.017 0.000 0.786 480 D N -1.038 119.380 120.400 0.030 0.000 2.363 480 D HA -0.005 4.637 4.640 0.003 0.000 0.226 480 D C 0.493 176.822 176.300 0.048 0.000 1.020 480 D CA 0.648 54.671 54.000 0.039 0.000 0.892 480 D CB -0.178 40.645 40.800 0.039 0.000 0.900 480 D HN 0.355 nan 8.370 nan 0.000 0.531 481 E N 0.638 120.865 120.200 0.045 0.000 2.227 481 E HA 0.244 4.595 4.350 0.003 0.000 0.268 481 E C -0.037 176.592 176.600 0.048 0.000 0.990 481 E CA -0.690 55.741 56.400 0.052 0.000 0.856 481 E CB 1.408 31.136 29.700 0.048 0.000 1.159 481 E HN -0.022 nan 8.360 nan 0.000 0.401 482 E N 1.509 121.742 120.200 0.055 0.000 2.191 482 E HA 0.206 4.558 4.350 0.003 0.000 0.278 482 E C -0.730 175.898 176.600 0.046 0.000 0.972 482 E CA -0.724 55.706 56.400 0.050 0.000 0.804 482 E CB 1.824 31.558 29.700 0.057 0.000 1.110 482 E HN 0.305 nan 8.360 nan 0.000 0.394 483 L N 4.158 125.403 121.223 0.036 0.000 2.295 483 L HA 0.126 4.468 4.340 0.003 0.000 0.288 483 L C 0.625 177.518 176.870 0.039 0.000 1.079 483 L CA 0.035 54.894 54.840 0.031 0.000 0.830 483 L CB -0.010 42.059 42.059 0.017 0.000 1.200 483 L HN 0.544 nan 8.230 nan 0.000 0.438 484 L N 3.407 124.658 121.223 0.045 0.000 2.477 484 L HA 0.219 4.561 4.340 0.003 0.000 0.220 484 L C 0.712 177.615 176.870 0.055 0.000 1.106 484 L CA 0.437 55.310 54.840 0.056 0.000 0.851 484 L CB -0.251 41.846 42.059 0.063 0.000 0.994 484 L HN 0.809 nan 8.230 nan 0.000 0.462 485 S N -1.905 113.819 115.700 0.040 0.000 2.661 485 S HA 0.442 4.914 4.470 0.003 0.000 0.268 485 S C -1.318 173.289 174.600 0.013 0.000 1.162 485 S CA -0.917 57.305 58.200 0.037 0.000 0.817 485 S CB 2.244 65.470 63.200 0.042 0.000 1.141 485 S HN 0.013 nan 8.310 nan 0.000 0.477 486 c N 2.422 121.029 118.600 0.011 0.000 2.924 486 c HA 0.820 5.391 4.570 0.003 0.000 0.400 486 c C -0.252 173.835 174.090 -0.005 0.000 1.032 486 c CA 0.601 56.921 56.329 -0.016 0.000 1.236 486 c CB 0.191 42.688 42.510 -0.022 0.000 1.660 486 c HN 1.503 nan 8.230 nan 0.000 0.510 487 S N 3.889 119.570 115.700 -0.033 0.000 2.841 487 S HA 0.996 5.468 4.470 0.003 0.000 0.318 487 S C -0.431 174.155 174.600 -0.024 0.000 1.127 487 S CA -0.017 58.180 58.200 -0.005 0.000 0.883 487 S CB 1.745 64.948 63.200 0.005 0.000 1.271 487 S HN 2.005 nan 8.310 nan 0.000 0.567 488 S N -0.320 115.405 115.700 0.042 0.000 2.570 488 S HA 0.815 5.287 4.470 0.003 0.000 0.270 488 S C -1.582 173.173 174.600 0.259 0.000 1.149 488 S CA -0.781 57.466 58.200 0.079 0.000 0.837 488 S CB 1.393 64.605 63.200 0.020 0.000 1.124 488 S HN 1.290 nan 8.310 nan 0.000 0.465 489 F N 0.948 120.982 119.950 0.140 0.000 2.588 489 F HA 0.761 5.290 4.527 0.003 0.000 0.314 489 F C -0.989 174.985 175.800 0.291 0.000 1.134 489 F CA -0.194 57.969 58.000 0.273 0.000 0.961 489 F CB 2.100 41.363 39.000 0.438 0.000 1.239 489 F HN 0.870 nan 8.300 nan 0.000 0.448 490 S N 5.414 120.774 115.700 -0.567 0.000 2.571 490 S HA 0.475 4.947 4.470 0.003 0.000 0.284 490 S C 0.549 174.702 174.600 -0.745 0.000 1.128 490 S CA -0.708 57.169 58.200 -0.538 0.000 0.970 490 S CB 1.468 64.534 63.200 -0.223 0.000 1.039 490 S HN 0.874 nan 8.310 nan 0.000 0.485 491 R N 1.739 121.911 120.500 -0.546 0.000 2.148 491 R HA -0.037 4.304 4.340 0.003 0.000 0.227 491 R C 2.175 178.437 176.300 -0.063 0.000 1.103 491 R CA 1.552 57.506 56.100 -0.243 0.000 0.983 491 R CB -0.222 30.087 30.300 0.014 0.000 0.874 491 R HN 0.767 nan 8.270 nan 0.000 0.451 492 S N -1.003 114.662 115.700 -0.058 0.000 2.436 492 S HA 0.051 4.522 4.470 0.003 0.000 0.228 492 S C 1.655 176.263 174.600 0.014 0.000 1.014 492 S CA 0.763 58.964 58.200 0.000 0.000 0.950 492 S CB 0.360 63.563 63.200 0.006 0.000 0.784 492 S HN 0.482 nan 8.310 nan 0.000 0.504 493 G N 1.103 109.891 108.800 -0.020 0.000 2.213 493 G HA2 -0.239 3.722 3.960 0.003 0.000 0.236 493 G HA3 -0.239 3.722 3.960 0.003 0.000 0.236 493 G C -0.035 174.887 174.900 0.037 0.000 0.991 493 G CA 0.067 45.185 45.100 0.031 0.000 0.629 493 G HN 0.566 nan 8.290 nan 0.000 0.517 494 K N 1.660 122.067 120.400 0.012 0.000 2.219 494 K HA 0.454 4.775 4.320 0.003 0.000 0.280 494 K C 0.695 177.278 176.600 -0.028 0.000 1.104 494 K CA -0.106 56.189 56.287 0.014 0.000 0.925 494 K CB 0.294 32.802 32.500 0.012 0.000 1.261 494 K HN 0.714 nan 8.250 nan 0.000 0.445 495 R N 0.686 121.180 120.500 -0.010 0.000 2.764 495 R HA 0.436 4.778 4.340 0.003 0.000 0.270 495 R C -0.373 175.808 176.300 -0.197 0.000 1.014 495 R CA -1.143 54.894 56.100 -0.104 0.000 0.904 495 R CB 1.188 31.438 30.300 -0.084 0.000 1.236 495 R HN 0.269 nan 8.270 nan 0.000 0.466 496 R N 0.510 120.730 120.500 -0.466 0.000 2.652 496 R HA 0.270 4.612 4.340 0.003 0.000 0.372 496 R C 0.020 175.494 176.300 -1.376 0.000 1.104 496 R CA 0.360 55.827 56.100 -1.056 0.000 1.072 496 R CB 1.167 31.019 30.300 -0.745 0.000 1.367 496 R HN 0.997 nan 8.270 nan 0.000 0.577 497 G N 2.045 110.268 108.800 -0.961 0.000 2.615 497 G HA2 -0.240 3.722 3.960 0.003 0.000 0.218 497 G HA3 -0.240 3.722 3.960 0.003 0.000 0.218 497 G C -0.887 173.897 174.900 -0.192 0.000 1.339 497 G CA -0.247 44.491 45.100 -0.602 0.000 0.884 497 G HN 0.285 nan 8.290 nan 0.000 0.559 498 E N -0.289 119.899 120.200 -0.020 0.000 2.433 498 E HA 0.746 5.097 4.350 0.003 0.000 0.278 498 E C -0.209 176.404 176.600 0.022 0.000 0.976 498 E CA -0.780 55.605 56.400 -0.024 0.000 0.793 498 E CB 1.809 31.481 29.700 -0.048 0.000 1.311 498 E HN 1.453 nan 8.360 nan 0.000 0.460 499 R N 0.277 120.693 120.500 -0.141 0.000 2.707 499 R HA 0.647 4.989 4.340 0.003 0.000 0.272 499 R C -0.666 175.473 176.300 -0.269 0.000 1.011 499 R CA -0.962 54.931 56.100 -0.345 0.000 0.893 499 R CB 1.371 31.366 30.300 -0.508 0.000 1.233 499 R HN 0.422 nan 8.270 nan 0.000 0.464 500 M N 2.115 121.553 119.600 -0.271 0.000 2.088 500 M HA 0.309 4.790 4.480 0.003 0.000 0.346 500 M C -0.690 175.539 176.300 -0.118 0.000 1.111 500 M CA -0.071 55.149 55.300 -0.133 0.000 1.017 500 M CB 1.639 34.209 32.600 -0.050 0.000 1.568 500 M HN 0.544 nan 8.290 nan 0.000 0.445 501 E N 1.414 121.556 120.200 -0.095 0.000 2.232 501 E HA 0.734 5.086 4.350 0.003 0.000 0.264 501 E C -0.773 175.803 176.600 -0.039 0.000 0.973 501 E CA -0.916 55.445 56.400 -0.065 0.000 0.849 501 E CB 1.939 31.598 29.700 -0.070 0.000 1.198 501 E HN 0.710 nan 8.360 nan 0.000 0.407 502 A N 1.751 124.555 122.820 -0.025 0.000 2.309 502 A HA 0.375 4.696 4.320 0.003 0.000 0.298 502 A C -0.662 176.912 177.584 -0.016 0.000 1.165 502 A CA -0.357 51.669 52.037 -0.017 0.000 0.821 502 A CB 0.594 19.587 19.000 -0.011 0.000 1.102 502 A HN 0.531 nan 8.150 nan 0.000 0.500 503 Q N 0.771 120.563 119.800 -0.013 0.000 2.263 503 Q HA 0.467 4.808 4.340 0.003 0.000 0.262 503 Q C 0.229 176.226 176.000 -0.006 0.000 0.984 503 Q CA -0.095 55.701 55.803 -0.011 0.000 0.813 503 Q CB 1.952 30.681 28.738 -0.016 0.000 1.299 503 Q HN 1.776 nan 8.270 nan 0.000 0.428 504 G N 1.383 110.181 108.800 -0.003 0.000 2.305 504 G HA2 -0.242 3.720 3.960 0.003 0.000 0.287 504 G HA3 -0.242 3.720 3.960 0.003 0.000 0.287 504 G C 0.777 175.678 174.900 0.001 0.000 1.036 504 G CA 0.820 45.920 45.100 -0.000 0.000 0.887 504 G HN 1.383 nan 8.290 nan 0.000 0.505 505 G N -1.664 107.136 108.800 0.000 0.000 2.168 505 G HA2 -0.234 3.728 3.960 0.003 0.000 0.257 505 G HA3 -0.234 3.728 3.960 0.003 0.000 0.257 505 G C 0.258 175.160 174.900 0.004 0.000 0.997 505 G CA 1.527 46.629 45.100 0.002 0.000 0.708 505 G HN 1.260 nan 8.290 nan 0.000 0.520 506 K N -0.572 119.829 120.400 0.002 0.000 2.316 506 K HA 0.737 5.059 4.320 0.003 0.000 0.251 506 K C 0.240 176.839 176.600 -0.002 0.000 0.934 506 K CA -0.832 55.456 56.287 0.003 0.000 0.802 506 K CB 1.122 33.625 32.500 0.004 0.000 1.171 506 K HN 0.089 nan 8.250 nan 0.000 0.426 507 L N 4.450 125.673 121.223 -0.000 0.000 2.319 507 L HA 0.372 4.713 4.340 0.003 0.000 0.280 507 L C -0.113 176.750 176.870 -0.013 0.000 1.099 507 L CA -0.707 54.128 54.840 -0.007 0.000 0.828 507 L CB 0.844 42.903 42.059 0.001 0.000 1.150 507 L HN 0.448 nan 8.230 nan 0.000 0.442 508 V N 0.864 120.762 119.914 -0.028 0.000 3.103 508 V HA 0.507 4.629 4.120 0.003 0.000 0.318 508 V C -0.517 175.542 176.094 -0.059 0.000 1.114 508 V CA -1.055 61.223 62.300 -0.037 0.000 1.020 508 V CB 1.906 33.705 31.823 -0.041 0.000 1.085 508 V HN 0.864 nan 8.190 nan 0.000 0.446 509 c N 3.176 121.737 118.600 -0.066 0.000 2.251 509 c HA 0.804 5.375 4.570 0.003 0.000 0.323 509 c C 0.059 174.072 174.090 -0.129 0.000 1.241 509 c CA -0.349 55.927 56.329 -0.089 0.000 1.601 509 c CB -0.160 42.307 42.510 -0.072 0.000 2.251 509 c HN 1.078 nan 8.230 nan 0.000 0.488 510 R N 4.509 124.897 120.500 -0.187 0.000 2.343 510 R HA 0.709 5.051 4.340 0.003 0.000 0.320 510 R C -0.444 175.612 176.300 -0.405 0.000 0.956 510 R CA 0.055 55.978 56.100 -0.295 0.000 0.836 510 R CB 1.144 31.242 30.300 -0.337 0.000 1.151 510 R HN 0.872 nan 8.270 nan 0.000 0.450 511 A N 4.288 126.875 122.820 -0.388 0.000 2.312 511 A HA 0.483 4.805 4.320 0.003 0.000 0.326 511 A C -1.028 176.250 177.584 -0.510 0.000 1.172 511 A CA -0.643 51.176 52.037 -0.363 0.000 0.821 511 A CB 0.656 19.538 19.000 -0.197 0.000 1.166 511 A HN 0.816 nan 8.150 nan 0.000 0.493 512 H N 1.696 120.623 119.070 -0.237 0.000 2.469 512 H HA 0.280 4.838 4.556 0.003 0.000 0.342 512 H C -0.559 174.603 175.328 -0.277 0.000 1.115 512 H CA -0.545 55.348 56.048 -0.259 0.000 1.204 512 H CB 1.700 31.279 29.762 -0.307 0.000 1.492 512 H HN 0.748 nan 8.280 nan 0.000 0.499 513 N N 0.765 119.386 118.700 -0.132 0.000 2.524 513 N HA 0.265 5.007 4.740 0.003 0.000 0.283 513 N C -0.523 174.838 175.510 -0.250 0.000 1.142 513 N CA -0.397 52.551 53.050 -0.169 0.000 0.984 513 N CB 1.085 39.500 38.487 -0.121 0.000 1.155 513 N HN 0.721 nan 8.380 nan 0.000 0.467 514 A N 2.362 125.047 122.820 -0.225 0.000 2.332 514 A HA 0.294 4.615 4.320 0.003 0.000 0.258 514 A C 0.775 178.252 177.584 -0.178 0.000 1.087 514 A CA -0.331 51.537 52.037 -0.281 0.000 0.802 514 A CB -0.225 18.701 19.000 -0.125 0.000 1.042 514 A HN 0.808 nan 8.150 nan 0.000 0.489 515 F N 0.578 120.530 119.950 0.004 0.000 2.451 515 F HA 0.041 4.570 4.527 0.003 0.000 0.299 515 F C 2.110 177.914 175.800 0.007 0.000 1.101 515 F CA 0.893 58.896 58.000 0.004 0.000 1.436 515 F CB 0.241 39.247 39.000 0.010 0.000 1.074 515 F HN 0.650 nan 8.300 nan 0.000 0.553 516 G N -0.191 108.700 108.800 0.151 0.000 3.453 516 G HA2 0.349 4.310 3.960 0.003 0.000 0.263 516 G HA3 0.349 4.310 3.960 0.003 0.000 0.263 516 G C 0.492 175.425 174.900 0.055 0.000 1.060 516 G CA 0.083 45.241 45.100 0.097 0.000 0.793 516 G HN 0.312 nan 8.290 nan 0.000 0.532 517 G N 0.226 109.047 108.800 0.034 0.000 2.462 517 G HA2 0.480 4.442 3.960 0.003 0.000 0.319 517 G HA3 0.480 4.442 3.960 0.003 0.000 0.319 517 G C 0.513 175.424 174.900 0.018 0.000 1.171 517 G CA -0.424 44.681 45.100 0.009 0.000 0.920 517 G HN 0.143 nan 8.290 nan 0.000 0.499 518 E N -0.751 119.466 120.200 0.028 0.000 2.474 518 E HA 0.430 4.781 4.350 0.003 0.000 0.194 518 E C 0.925 177.617 176.600 0.154 0.000 1.041 518 E CA 0.167 56.607 56.400 0.067 0.000 0.874 518 E CB 0.471 30.209 29.700 0.064 0.000 0.914 518 E HN 1.075 nan 8.360 nan 0.000 0.498 519 G N -0.511 108.310 108.800 0.035 0.000 2.316 519 G HA2 0.348 4.310 3.960 0.003 0.000 0.468 519 G HA3 0.348 4.310 3.960 0.003 0.000 0.468 519 G C -1.069 173.496 174.900 -0.558 0.000 1.523 519 G CA -0.601 44.385 45.100 -0.191 0.000 0.972 519 G HN 0.655 nan 8.290 nan 0.000 0.667 520 V N -1.408 118.117 119.914 -0.648 0.000 2.914 520 V HA 0.897 5.019 4.120 0.003 0.000 0.314 520 V C -0.648 175.110 176.094 -0.560 0.000 1.084 520 V CA -1.627 60.376 62.300 -0.494 0.000 0.963 520 V CB 1.641 33.313 31.823 -0.251 0.000 1.025 520 V HN 0.928 nan 8.190 nan 0.000 0.432 521 Y N 1.558 121.804 120.300 -0.090 0.000 2.334 521 Y HA 0.778 5.330 4.550 0.003 0.000 0.328 521 Y C 0.779 176.660 175.900 -0.032 0.000 1.130 521 Y CA 0.038 58.167 58.100 0.049 0.000 1.163 521 Y CB 1.772 40.465 38.460 0.390 0.000 1.207 521 Y HN 1.037 nan 8.280 nan 0.000 0.471 522 A N 4.049 126.922 122.820 0.087 0.000 2.306 522 A HA 0.766 5.088 4.320 0.003 0.000 0.314 522 A C -0.808 176.720 177.584 -0.093 0.000 1.164 522 A CA -0.566 51.452 52.037 -0.032 0.000 0.822 522 A CB 0.120 19.077 19.000 -0.072 0.000 1.130 522 A HN 0.762 nan 8.150 nan 0.000 0.496 523 I N 1.935 122.383 120.570 -0.204 0.000 2.468 523 I HA 0.495 4.667 4.170 0.003 0.000 0.284 523 I C 0.358 176.345 176.117 -0.216 0.000 1.038 523 I CA -0.222 60.849 61.300 -0.382 0.000 1.083 523 I CB 1.813 39.407 38.000 -0.676 0.000 1.223 523 I HN 0.697 nan 8.210 nan 0.000 0.443 524 A N 5.466 128.193 122.820 -0.155 0.000 2.306 524 A HA 0.850 5.171 4.320 0.003 0.000 0.330 524 A C -0.396 177.155 177.584 -0.055 0.000 1.146 524 A CA -0.574 51.418 52.037 -0.077 0.000 0.827 524 A CB 1.187 20.163 19.000 -0.040 0.000 1.178 524 A HN 0.681 nan 8.150 nan 0.000 0.490 525 R N 0.697 121.186 120.500 -0.019 0.000 2.310 525 R HA 0.555 4.897 4.340 0.003 0.000 0.324 525 R C -1.723 174.594 176.300 0.028 0.000 0.955 525 R CA -0.022 56.084 56.100 0.010 0.000 0.830 525 R CB 0.559 30.872 30.300 0.021 0.000 1.154 525 R HN 0.707 nan 8.270 nan 0.000 0.458 526 c N 4.307 122.930 118.600 0.039 0.000 2.345 526 c HA 0.688 5.259 4.570 0.003 0.000 0.323 526 c C -0.494 173.634 174.090 0.063 0.000 1.276 526 c CA -0.692 55.664 56.329 0.046 0.000 1.543 526 c CB 0.135 42.670 42.510 0.040 0.000 2.211 526 c HN 0.830 nan 8.230 nan 0.000 0.493 527 c N 2.921 121.562 118.600 0.069 0.000 2.802 527 c HA 0.586 5.158 4.570 0.003 0.000 0.307 527 c C -0.389 173.758 174.090 0.096 0.000 1.222 527 c CA -0.820 55.561 56.329 0.086 0.000 1.580 527 c CB 0.918 43.477 42.510 0.083 0.000 2.119 527 c HN 0.815 nan 8.230 nan 0.000 0.479 528 L N 2.518 123.812 121.223 0.119 0.000 2.268 528 L HA 0.441 4.782 4.340 0.003 0.000 0.289 528 L C -0.455 176.523 176.870 0.181 0.000 1.064 528 L CA 0.178 55.102 54.840 0.139 0.000 0.824 528 L CB 0.213 42.365 42.059 0.156 0.000 1.202 528 L HN 0.535 nan 8.230 nan 0.000 0.433 529 L N 6.781 128.107 121.223 0.172 0.000 2.417 529 L HA 0.433 4.775 4.340 0.003 0.000 0.259 529 L C -2.049 174.916 176.870 0.159 0.000 1.023 529 L CA -1.646 53.311 54.840 0.194 0.000 0.901 529 L CB 1.994 44.130 42.059 0.127 0.000 1.227 529 L HN 0.346 nan 8.230 nan 0.000 0.454 530 P HA 0.034 nan 4.420 nan 0.000 0.268 530 P C -0.458 176.870 177.300 0.047 0.000 1.204 530 P CA 0.251 63.421 63.100 0.116 0.000 0.768 530 P CB 0.818 32.597 31.700 0.132 0.000 0.842 531 Q N -1.224 118.601 119.800 0.041 0.000 2.494 531 Q HA -0.187 4.154 4.340 0.003 0.000 0.272 531 Q C -0.092 175.933 176.000 0.041 0.000 1.145 531 Q CA 0.797 56.617 55.803 0.028 0.000 0.943 531 Q CB -2.099 26.643 28.738 0.007 0.000 1.338 531 Q HN 0.726 nan 8.270 nan 0.000 0.492 532 A N 0.087 122.935 122.820 0.048 0.000 2.310 532 A HA 0.787 5.109 4.320 0.003 0.000 0.299 532 A C 0.177 177.784 177.584 0.038 0.000 1.147 532 A CA 0.215 52.283 52.037 0.050 0.000 0.818 532 A CB 1.055 20.087 19.000 0.052 0.000 1.096 532 A HN 0.574 nan 8.150 nan 0.000 0.495 533 A N 1.898 124.735 122.820 0.028 0.000 2.431 533 A HA 0.557 4.879 4.320 0.003 0.000 0.318 533 A C -0.223 177.366 177.584 0.009 0.000 1.330 533 A CA -0.373 51.670 52.037 0.009 0.000 0.804 533 A CB -0.320 18.667 19.000 -0.022 0.000 1.135 533 A HN 0.855 nan 8.150 nan 0.000 0.483 534 c N 1.462 120.084 118.600 0.035 0.000 2.345 534 c HA 0.982 5.554 4.570 0.003 0.000 0.370 534 c C 0.745 174.879 174.090 0.073 0.000 1.209 534 c CA -0.043 56.321 56.329 0.058 0.000 2.133 534 c CB 1.226 43.769 42.510 0.056 0.000 2.293 534 c HN 1.112 nan 8.230 nan 0.000 0.544 535 S N -0.633 115.125 115.700 0.097 0.000 2.595 535 S HA 0.667 5.139 4.470 0.003 0.000 0.270 535 S C -1.640 172.969 174.600 0.015 0.000 1.145 535 S CA -0.666 57.556 58.200 0.037 0.000 0.825 535 S CB 0.468 63.693 63.200 0.042 0.000 1.107 535 S HN 0.567 nan 8.310 nan 0.000 0.461 536 V N 2.510 122.359 119.914 -0.109 0.000 2.581 536 V HA 0.605 4.727 4.120 0.003 0.000 0.303 536 V C -0.714 175.228 176.094 -0.253 0.000 1.041 536 V CA -0.446 61.826 62.300 -0.048 0.000 0.907 536 V CB 1.474 33.309 31.823 0.020 0.000 0.994 536 V HN 0.951 nan 8.190 nan 0.000 0.442 537 H N 1.797 120.942 119.070 0.126 0.000 2.609 537 H HA 0.523 5.081 4.556 0.003 0.000 0.344 537 H C -0.806 174.579 175.328 0.094 0.000 1.040 537 H CA -0.409 55.702 56.048 0.104 0.000 1.216 537 H CB 2.384 32.201 29.762 0.091 0.000 1.529 537 H HN 0.583 nan 8.280 nan 0.000 0.519 538 T N 1.808 116.459 114.554 0.163 0.000 2.887 538 T HA 0.651 5.003 4.350 0.003 0.000 0.288 538 T C -0.290 174.414 174.700 0.006 0.000 1.021 538 T CA -0.712 61.424 62.100 0.059 0.000 1.000 538 T CB 1.913 70.851 68.868 0.117 0.000 1.034 538 T HN 0.700 nan 8.240 nan 0.000 0.467 539 A N 3.884 126.660 122.820 -0.074 0.000 2.371 539 A HA 0.869 5.191 4.320 0.003 0.000 0.311 539 A C -2.757 174.776 177.584 -0.085 0.000 1.068 539 A CA -1.929 50.076 52.037 -0.054 0.000 0.744 539 A CB 1.078 20.052 19.000 -0.044 0.000 1.239 539 A HN 0.538 nan 8.150 nan 0.000 0.435 540 P HA 0.362 nan 4.420 nan 0.000 0.274 540 P C -2.714 174.563 177.300 -0.038 0.000 1.256 540 P CA -1.344 61.730 63.100 -0.043 0.000 0.795 540 P CB -0.525 31.168 31.700 -0.011 0.000 1.038 541 P HA 0.039 nan 4.420 nan 0.000 0.268 541 P C 0.073 177.370 177.300 -0.005 0.000 1.208 541 P CA 0.403 63.499 63.100 -0.007 0.000 0.777 541 P CB 0.176 31.884 31.700 0.014 0.000 0.875 542 A N 1.348 124.164 122.820 -0.006 0.000 1.988 542 A HA 0.207 4.529 4.320 0.003 0.000 0.198 542 A C 0.136 177.713 177.584 -0.012 0.000 1.507 542 A CA 0.285 52.315 52.037 -0.012 0.000 0.901 542 A CB -0.741 18.247 19.000 -0.021 0.000 1.007 542 A HN 0.459 nan 8.150 nan 0.000 0.502 543 E N -1.167 119.023 120.200 -0.017 0.000 2.260 543 E HA -0.071 4.281 4.350 0.003 0.000 0.204 543 E C -0.281 176.299 176.600 -0.033 0.000 1.319 543 E CA 0.789 57.175 56.400 -0.023 0.000 0.679 543 E CB -1.747 27.948 29.700 -0.008 0.000 1.158 543 E HN 1.017 nan 8.360 nan 0.000 0.376 544 A N -0.303 122.487 122.820 -0.050 0.000 2.479 544 A HA 0.737 5.058 4.320 0.003 0.000 0.296 544 A C 1.086 178.629 177.584 -0.068 0.000 1.121 544 A CA -0.133 51.876 52.037 -0.047 0.000 0.743 544 A CB 1.665 20.644 19.000 -0.036 0.000 1.323 544 A HN 0.086 nan 8.150 nan 0.000 0.415 545 S N 0.098 115.764 115.700 -0.056 0.000 2.423 545 S HA -0.065 4.407 4.470 0.003 0.000 0.231 545 S C 1.449 176.008 174.600 -0.069 0.000 1.014 545 S CA 1.549 59.711 58.200 -0.064 0.000 0.965 545 S CB -0.318 62.855 63.200 -0.046 0.000 0.785 545 S HN 0.637 nan 8.310 nan 0.000 0.495 546 M N 1.085 120.652 119.600 -0.055 0.000 2.563 546 M HA 0.196 4.678 4.480 0.003 0.000 0.231 546 M C 1.161 177.426 176.300 -0.059 0.000 1.136 546 M CA 0.049 55.320 55.300 -0.049 0.000 1.026 546 M CB -0.184 32.398 32.600 -0.029 0.000 1.597 546 M HN 0.410 nan 8.290 nan 0.000 0.495 547 G N 0.501 109.250 108.800 -0.085 0.000 2.645 547 G HA2 -0.215 3.747 3.960 0.003 0.000 0.239 547 G HA3 -0.215 3.747 3.960 0.003 0.000 0.239 547 G C -0.405 174.460 174.900 -0.058 0.000 1.331 547 G CA -0.590 44.449 45.100 -0.101 0.000 0.890 547 G HN 0.284 nan 8.290 nan 0.000 0.572 548 T N 1.568 116.095 114.554 -0.045 0.000 2.837 548 T HA 0.682 5.034 4.350 0.003 0.000 0.285 548 T C 0.417 175.107 174.700 -0.018 0.000 0.984 548 T CA -0.109 61.974 62.100 -0.028 0.000 1.049 548 T CB 1.025 69.877 68.868 -0.026 0.000 0.947 548 T HN 0.688 nan 8.240 nan 0.000 0.472 549 R N 1.277 121.769 120.500 -0.012 0.000 2.673 549 R HA 0.823 5.165 4.340 0.003 0.000 0.281 549 R C -1.535 174.756 176.300 -0.013 0.000 0.991 549 R CA -0.905 55.197 56.100 0.004 0.000 0.896 549 R CB 2.476 32.792 30.300 0.027 0.000 1.201 549 R HN 0.424 nan 8.270 nan 0.000 0.457 550 V N 3.220 123.127 119.914 -0.013 0.000 3.012 550 V HA 0.592 4.713 4.120 0.003 0.000 0.307 550 V C -1.364 174.695 176.094 -0.058 0.000 1.166 550 V CA -0.392 61.858 62.300 -0.084 0.000 0.974 550 V CB 2.198 34.002 31.823 -0.032 0.000 1.040 550 V HN 0.971 nan 8.190 nan 0.000 0.428 551 H N 2.039 121.035 119.070 -0.124 0.000 3.008 551 H HA 0.472 5.030 4.556 0.003 0.000 0.354 551 H C -1.231 173.929 175.328 -0.280 0.000 1.252 551 H CA -0.881 55.056 56.048 -0.185 0.000 1.117 551 H CB 1.445 31.070 29.762 -0.229 0.000 1.857 551 H HN 0.676 nan 8.280 nan 0.000 0.547 552 c N 3.437 122.030 118.600 -0.011 0.000 2.345 552 c HA 0.094 4.666 4.570 0.003 0.000 0.349 552 c C 1.956 176.023 174.090 -0.037 0.000 1.130 552 c CA -0.419 55.863 56.329 -0.079 0.000 1.574 552 c CB -1.971 40.567 42.510 0.046 0.000 2.108 552 c HN 0.746 nan 8.230 nan 0.000 0.516 553 H N 1.099 120.135 119.070 -0.057 0.000 2.326 553 H HA -0.062 4.496 4.556 0.003 0.000 0.301 553 H C 0.975 176.269 175.328 -0.057 0.000 1.081 553 H CA 1.077 57.132 56.048 0.011 0.000 1.334 553 H CB 0.139 29.870 29.762 -0.050 0.000 1.385 553 H HN 0.722 nan 8.280 nan 0.000 0.504 554 Q N 1.987 121.761 119.800 -0.043 0.000 2.349 554 Q HA -0.008 4.334 4.340 0.003 0.000 0.287 554 Q C 0.204 176.153 176.000 -0.085 0.000 1.044 554 Q CA 0.001 55.687 55.803 -0.195 0.000 0.918 554 Q CB 0.659 28.994 28.738 -0.673 0.000 1.242 554 Q HN 0.243 nan 8.270 nan 0.000 0.405 555 Q N 0.520 120.313 119.800 -0.011 0.000 2.332 555 Q HA 0.169 4.511 4.340 0.003 0.000 0.263 555 Q C 0.891 177.020 176.000 0.216 0.000 0.979 555 Q CA 0.926 56.776 55.803 0.079 0.000 0.885 555 Q CB 1.142 29.919 28.738 0.065 0.000 1.218 555 Q HN 1.039 nan 8.270 nan 0.000 0.405 556 G N 2.280 111.184 108.800 0.173 0.000 2.179 556 G HA2 -0.231 3.731 3.960 0.003 0.000 0.260 556 G HA3 -0.231 3.731 3.960 0.003 0.000 0.260 556 G C -0.284 174.714 174.900 0.163 0.000 0.977 556 G CA 0.156 45.325 45.100 0.115 0.000 0.641 556 G HN 0.647 nan 8.290 nan 0.000 0.533 557 H N -0.205 118.898 119.070 0.055 0.000 2.552 557 H HA 0.609 5.167 4.556 0.003 0.000 0.311 557 H C 0.237 175.592 175.328 0.045 0.000 1.071 557 H CA -0.406 55.690 56.048 0.079 0.000 1.307 557 H CB 1.537 31.372 29.762 0.122 0.000 1.416 557 H HN 0.210 nan 8.280 nan 0.000 0.464 558 V N 3.962 123.937 119.914 0.102 0.000 2.630 558 V HA 0.139 4.261 4.120 0.003 0.000 0.305 558 V C 0.006 176.156 176.094 0.093 0.000 1.046 558 V CA -1.085 61.261 62.300 0.077 0.000 0.934 558 V CB 2.040 33.891 31.823 0.046 0.000 1.003 558 V HN 0.497 nan 8.190 nan 0.000 0.451 559 L N 4.228 125.502 121.223 0.084 0.000 2.315 559 L HA 0.380 4.722 4.340 0.003 0.000 0.283 559 L C 1.214 178.134 176.870 0.084 0.000 1.089 559 L CA 0.944 55.838 54.840 0.089 0.000 0.833 559 L CB 1.220 43.324 42.059 0.075 0.000 1.170 559 L HN 0.929 nan 8.230 nan 0.000 0.442 560 T N 0.657 115.265 114.554 0.090 0.000 2.990 560 T HA 0.556 4.908 4.350 0.003 0.000 0.250 560 T C 0.598 175.345 174.700 0.078 0.000 1.041 560 T CA 0.243 62.393 62.100 0.084 0.000 1.010 560 T CB 0.185 69.102 68.868 0.082 0.000 1.003 560 T HN 0.776 nan 8.240 nan 0.000 0.499 561 G N -0.541 108.310 108.800 0.084 0.000 2.616 561 G HA2 0.494 4.455 3.960 0.003 0.000 0.294 561 G HA3 0.494 4.455 3.960 0.003 0.000 0.294 561 G C -1.603 173.354 174.900 0.096 0.000 1.489 561 G CA -0.695 44.453 45.100 0.080 0.000 0.836 561 G HN 0.356 nan 8.290 nan 0.000 0.527 562 c N 0.483 119.140 118.600 0.095 0.000 2.417 562 c HA 0.914 5.486 4.570 0.003 0.000 0.324 562 c C 0.494 174.667 174.090 0.139 0.000 1.240 562 c CA -0.460 55.940 56.329 0.118 0.000 1.632 562 c CB 1.056 43.626 42.510 0.100 0.000 2.241 562 c HN 0.768 nan 8.230 nan 0.000 0.499 563 S N 0.946 116.764 115.700 0.198 0.000 2.599 563 S HA 0.832 5.304 4.470 0.003 0.000 0.294 563 S C -0.812 174.000 174.600 0.352 0.000 1.094 563 S CA -0.503 57.841 58.200 0.239 0.000 0.931 563 S CB 1.889 65.208 63.200 0.198 0.000 1.093 563 S HN 0.818 nan 8.310 nan 0.000 0.488 564 S N 1.771 117.696 115.700 0.375 0.000 2.603 564 S HA 0.468 4.940 4.470 0.003 0.000 0.274 564 S C -1.617 173.242 174.600 0.432 0.000 1.168 564 S CA -0.751 57.698 58.200 0.415 0.000 0.963 564 S CB 0.516 63.938 63.200 0.370 0.000 1.078 564 S HN 0.868 nan 8.310 nan 0.000 0.477 565 H N 2.231 121.494 119.070 0.322 0.000 2.768 565 H HA 0.738 5.296 4.556 0.003 0.000 0.371 565 H C -1.369 174.064 175.328 0.176 0.000 1.151 565 H CA -0.858 55.198 56.048 0.013 0.000 1.165 565 H CB 1.146 30.898 29.762 -0.017 0.000 1.722 565 H HN 0.722 nan 8.280 nan 0.000 0.543 566 W N 2.428 123.723 121.300 -0.009 0.000 2.929 566 W HA 0.573 5.234 4.660 0.003 0.000 0.345 566 W C 0.094 176.592 176.519 -0.035 0.000 1.151 566 W CA -0.972 56.318 57.345 -0.091 0.000 1.111 566 W CB 1.168 30.567 29.460 -0.102 0.000 1.449 566 W HN 0.537 nan 8.180 nan 0.000 0.572 567 E N 0.451 120.770 120.200 0.199 0.000 2.175 567 E HA 0.019 4.370 4.350 0.003 0.000 0.195 567 E C 1.060 177.763 176.600 0.171 0.000 0.934 567 E CA 0.577 57.045 56.400 0.113 0.000 0.870 567 E CB -0.123 29.644 29.700 0.112 0.000 0.838 567 E HN 0.368 nan 8.360 nan 0.000 0.474 568 V N -0.004 120.038 119.914 0.213 0.000 3.566 568 V HA 0.084 4.206 4.120 0.003 0.000 0.301 568 V C 0.970 177.205 176.094 0.236 0.000 1.105 568 V CA -0.045 62.368 62.300 0.189 0.000 1.142 568 V CB 0.749 32.633 31.823 0.102 0.000 1.107 568 V HN 0.075 nan 8.190 nan 0.000 0.481 569 E N -0.057 120.246 120.200 0.171 0.000 2.206 569 E HA 0.164 4.515 4.350 0.003 0.000 0.195 569 E C -0.150 176.501 176.600 0.085 0.000 0.935 569 E CA 0.466 56.960 56.400 0.157 0.000 0.875 569 E CB 0.027 29.819 29.700 0.155 0.000 0.841 569 E HN 0.886 nan 8.360 nan 0.000 0.477 570 D N 0.773 121.185 120.400 0.020 0.000 2.193 570 D HA 0.453 5.094 4.640 0.003 0.000 0.244 570 D C -0.133 176.079 176.300 -0.147 0.000 1.064 570 D CA -0.340 53.629 54.000 -0.051 0.000 0.845 570 D CB 1.627 42.416 40.800 -0.018 0.000 1.148 570 D HN -0.156 nan 8.370 nan 0.000 0.464 586 N N 0.239 118.929 118.700 -0.017 0.000 2.783 586 N HA -0.164 4.577 4.740 0.003 0.000 0.247 586 N C -0.346 175.178 175.510 0.025 0.000 1.089 586 N CA 1.110 54.165 53.050 0.007 0.000 0.690 586 N CB -0.700 37.789 38.487 0.003 0.000 0.991 586 N HN 0.797 nan 8.380 nan 0.000 0.552 587 Q N 0.030 119.844 119.800 0.024 0.000 2.347 587 Q HA 0.495 4.837 4.340 0.003 0.000 0.271 587 Q C -1.103 174.926 176.000 0.050 0.000 1.064 587 Q CA -0.574 55.264 55.803 0.057 0.000 0.800 587 Q CB 1.792 30.550 28.738 0.033 0.000 1.304 587 Q HN 0.334 nan 8.270 nan 0.000 0.438 588 c N 2.800 121.436 118.600 0.059 0.000 2.350 588 c HA 0.703 5.275 4.570 0.003 0.000 0.348 588 c C -0.359 173.754 174.090 0.037 0.000 1.260 588 c CA -0.575 55.785 56.329 0.051 0.000 1.966 588 c CB 0.606 43.154 42.510 0.064 0.000 2.380 588 c HN 0.590 nan 8.230 nan 0.000 0.535 589 V N 3.277 123.210 119.914 0.031 0.000 2.444 589 V HA 0.793 4.914 4.120 0.003 0.000 0.294 589 V C 0.577 176.683 176.094 0.021 0.000 1.022 589 V CA 0.067 62.377 62.300 0.016 0.000 0.850 589 V CB 1.358 33.182 31.823 0.002 0.000 0.992 589 V HN 1.129 nan 8.190 nan 0.000 0.426 590 G N 1.537 110.347 108.800 0.017 0.000 2.735 590 G HA2 0.427 4.389 3.960 0.003 0.000 0.301 590 G HA3 0.427 4.389 3.960 0.003 0.000 0.301 590 G C -0.718 174.189 174.900 0.012 0.000 1.279 590 G CA -0.642 44.480 45.100 0.037 0.000 1.019 590 G HN 0.681 nan 8.290 nan 0.000 0.497 591 H N -0.064 118.954 119.070 -0.088 0.000 2.929 591 H HA -0.013 4.545 4.556 0.003 0.000 0.358 591 H C 1.969 177.238 175.328 -0.098 0.000 1.111 591 H CA 0.701 56.669 56.048 -0.134 0.000 1.409 591 H CB 0.976 30.580 29.762 -0.263 0.000 1.373 591 H HN 0.635 nan 8.280 nan 0.000 0.610 592 R N 2.244 122.584 120.500 -0.266 0.000 2.115 592 R HA -0.083 4.259 4.340 0.003 0.000 0.230 592 R C 1.263 177.615 176.300 0.088 0.000 1.111 592 R CA 1.751 57.798 56.100 -0.088 0.000 0.976 592 R CB -0.098 30.098 30.300 -0.173 0.000 0.870 592 R HN 0.621 nan 8.270 nan 0.000 0.445 593 E N 0.753 121.159 120.200 0.342 0.000 2.478 593 E HA 0.147 4.498 4.350 0.003 0.000 0.194 593 E C 0.012 176.667 176.600 0.092 0.000 1.045 593 E CA 0.177 56.673 56.400 0.160 0.000 0.868 593 E CB 0.558 30.300 29.700 0.070 0.000 0.885 593 E HN 0.452 nan 8.360 nan 0.000 0.505 594 A N 0.946 123.828 122.820 0.102 0.000 2.306 594 A HA 0.466 4.787 4.320 0.003 0.000 0.330 594 A C 0.029 177.612 177.584 -0.001 0.000 1.146 594 A CA -0.581 51.523 52.037 0.111 0.000 0.827 594 A CB 1.169 20.290 19.000 0.201 0.000 1.178 594 A HN -0.018 nan 8.150 nan 0.000 0.490 595 S N 0.095 115.714 115.700 -0.135 0.000 2.580 595 S HA 0.446 4.918 4.470 0.003 0.000 0.274 595 S C -0.277 174.152 174.600 -0.285 0.000 1.329 595 S CA -0.030 58.011 58.200 -0.265 0.000 1.036 595 S CB 0.696 63.635 63.200 -0.436 0.000 0.919 595 S HN 0.612 nan 8.310 nan 0.000 0.515 596 I N 2.595 122.957 120.570 -0.346 0.000 2.474 596 I HA 0.389 4.561 4.170 0.003 0.000 0.294 596 I C -0.931 174.935 176.117 -0.417 0.000 1.005 596 I CA -0.316 60.838 61.300 -0.243 0.000 1.113 596 I CB 1.101 39.057 38.000 -0.074 0.000 1.289 596 I HN 0.619 nan 8.210 nan 0.000 0.436 597 H N 6.346 125.483 119.070 0.111 0.000 2.589 597 H HA 0.772 5.330 4.556 0.003 0.000 0.351 597 H C -1.028 174.367 175.328 0.112 0.000 1.074 597 H CA -0.982 55.136 56.048 0.117 0.000 1.203 597 H CB 1.827 31.666 29.762 0.129 0.000 1.558 597 H HN 0.671 nan 8.280 nan 0.000 0.522 598 A N 2.314 125.271 122.820 0.228 0.000 2.343 598 A HA 0.393 4.714 4.320 0.003 0.000 0.316 598 A C -0.094 177.616 177.584 0.210 0.000 1.104 598 A CA -0.707 51.445 52.037 0.192 0.000 0.768 598 A CB 1.441 20.540 19.000 0.164 0.000 1.213 598 A HN 0.543 nan 8.150 nan 0.000 0.456 599 S N 1.183 116.983 115.700 0.167 0.000 2.452 599 S HA 0.489 4.960 4.470 0.003 0.000 0.284 599 S C -0.423 174.279 174.600 0.170 0.000 1.171 599 S CA -0.353 57.940 58.200 0.154 0.000 1.064 599 S CB -0.498 62.767 63.200 0.109 0.000 0.967 599 S HN 0.777 nan 8.310 nan 0.000 0.484 600 c N 5.080 123.812 118.600 0.221 0.000 2.379 600 c HA 0.706 5.277 4.570 0.003 0.000 0.323 600 c C -0.142 174.044 174.090 0.159 0.000 1.262 600 c CA -0.918 55.544 56.329 0.221 0.000 1.581 600 c CB -0.242 42.467 42.510 0.331 0.000 2.221 600 c HN 0.900 nan 8.230 nan 0.000 0.497 601 c N 2.800 121.446 118.600 0.077 0.000 2.563 601 c HA 0.537 5.109 4.570 0.003 0.000 0.314 601 c C -0.297 173.717 174.090 -0.128 0.000 1.199 601 c CA -0.441 55.884 56.329 -0.007 0.000 1.564 601 c CB 0.854 43.378 42.510 0.024 0.000 2.173 601 c HN 0.943 nan 8.230 nan 0.000 0.485 602 H N 1.772 120.620 119.070 -0.369 0.000 2.556 602 H HA 0.709 5.266 4.556 0.003 0.000 0.310 602 H C -0.629 174.607 175.328 -0.153 0.000 1.057 602 H CA 0.233 56.062 56.048 -0.365 0.000 1.264 602 H CB 1.273 30.682 29.762 -0.589 0.000 1.404 602 H HN 0.936 nan 8.280 nan 0.000 0.462 603 A N 6.744 129.464 122.820 -0.165 0.000 2.566 603 A HA 0.390 4.712 4.320 0.003 0.000 0.297 603 A C -2.902 174.598 177.584 -0.141 0.000 1.059 603 A CA -1.506 50.499 52.037 -0.052 0.000 0.691 603 A CB 1.448 20.435 19.000 -0.022 0.000 1.282 603 A HN 0.550 nan 8.150 nan 0.000 0.401 604 P HA 0.264 nan 4.420 nan 0.000 0.261 604 P C 0.961 178.171 177.300 -0.150 0.000 1.203 604 P CA 1.804 64.833 63.100 -0.120 0.000 0.767 604 P CB 0.441 32.080 31.700 -0.101 0.000 0.785 605 G N 2.271 110.990 108.800 -0.135 0.000 2.148 605 G HA2 -0.278 3.683 3.960 0.003 0.000 0.254 605 G HA3 -0.278 3.683 3.960 0.003 0.000 0.254 605 G C -0.151 174.687 174.900 -0.104 0.000 0.981 605 G CA -0.081 44.947 45.100 -0.120 0.000 0.670 605 G HN 0.604 nan 8.290 nan 0.000 0.528 606 L N 1.578 122.743 121.223 -0.097 0.000 2.418 606 L HA 0.621 4.962 4.340 0.003 0.000 0.274 606 L C 0.436 177.294 176.870 -0.021 0.000 1.135 606 L CA -0.169 54.641 54.840 -0.052 0.000 0.870 606 L CB 0.313 42.345 42.059 -0.046 0.000 1.154 606 L HN 0.472 nan 8.230 nan 0.000 0.462 607 E N 4.354 124.563 120.200 0.014 0.000 2.272 607 E HA 0.651 5.003 4.350 0.003 0.000 0.269 607 E C -1.508 175.230 176.600 0.231 0.000 0.877 607 E CA -0.911 55.545 56.400 0.094 0.000 0.755 607 E CB 1.376 31.135 29.700 0.099 0.000 1.192 607 E HN 0.497 nan 8.360 nan 0.000 0.422 608 c N 1.999 120.740 118.600 0.234 0.000 2.802 608 c HA 0.746 5.317 4.570 0.003 0.000 0.307 608 c C -0.771 173.411 174.090 0.154 0.000 1.222 608 c CA -0.740 55.748 56.329 0.264 0.000 1.580 608 c CB 1.243 43.845 42.510 0.153 0.000 2.119 608 c HN 0.992 nan 8.230 nan 0.000 0.479 609 K N 0.406 120.823 120.400 0.029 0.000 2.466 609 K HA 0.880 5.202 4.320 0.003 0.000 0.260 609 K C -1.751 174.781 176.600 -0.113 0.000 1.011 609 K CA -0.632 55.596 56.287 -0.099 0.000 0.871 609 K CB 1.284 33.625 32.500 -0.264 0.000 1.404 609 K HN 0.312 nan 8.250 nan 0.000 0.450 610 V N 1.523 121.377 119.914 -0.100 0.000 2.532 610 V HA 0.401 4.523 4.120 0.003 0.000 0.295 610 V C -0.580 175.452 176.094 -0.104 0.000 1.041 610 V CA -0.713 61.541 62.300 -0.077 0.000 0.926 610 V CB 1.420 33.218 31.823 -0.042 0.000 0.992 610 V HN 0.653 nan 8.190 nan 0.000 0.457 611 K N 3.789 124.138 120.400 -0.084 0.000 2.371 611 K HA 0.691 5.013 4.320 0.003 0.000 0.251 611 K C -0.988 175.596 176.600 -0.026 0.000 0.934 611 K CA -0.718 55.527 56.287 -0.072 0.000 0.798 611 K CB 2.999 35.446 32.500 -0.090 0.000 1.204 611 K HN 0.671 nan 8.250 nan 0.000 0.427 612 E N 0.677 120.871 120.200 -0.009 0.000 2.359 612 E HA 0.407 4.758 4.350 0.003 0.000 0.266 612 E C -1.409 175.237 176.600 0.077 0.000 0.920 612 E CA -0.871 55.541 56.400 0.020 0.000 0.788 612 E CB 2.488 32.185 29.700 -0.004 0.000 1.279 612 E HN 0.536 nan 8.360 nan 0.000 0.438 613 H N -0.639 118.417 119.070 -0.024 0.000 3.099 613 H HA 0.463 5.021 4.556 0.003 0.000 0.342 613 H C -1.299 174.021 175.328 -0.014 0.000 1.054 613 H CA -0.467 55.569 56.048 -0.020 0.000 1.328 613 H CB 1.509 31.259 29.762 -0.020 0.000 1.876 613 H HN 0.585 nan 8.280 nan 0.000 0.495 614 G N 3.956 112.668 108.800 -0.147 0.000 2.481 614 G HA2 0.605 4.566 3.960 0.003 0.000 0.315 614 G HA3 0.605 4.566 3.960 0.003 0.000 0.315 614 G C -1.261 173.619 174.900 -0.033 0.000 1.231 614 G CA -0.709 44.376 45.100 -0.025 0.000 0.968 614 G HN 0.579 nan 8.290 nan 0.000 0.482 615 I N 1.882 122.485 120.570 0.055 0.000 2.533 615 I HA 0.278 4.450 4.170 0.003 0.000 0.290 615 I C -1.846 174.289 176.117 0.031 0.000 1.056 615 I CA -2.193 59.139 61.300 0.052 0.000 1.057 615 I CB 3.335 41.398 38.000 0.105 0.000 1.240 615 I HN 0.294 nan 8.210 nan 0.000 0.423 616 P HA -0.092 nan 4.420 nan 0.000 0.214 616 P C 0.190 177.502 177.300 0.020 0.000 1.162 616 P CA 0.875 63.983 63.100 0.013 0.000 0.879 616 P CB 0.297 32.000 31.700 0.005 0.000 0.786 617 A N 0.566 123.398 122.820 0.021 0.000 2.582 617 A HA 0.398 4.720 4.320 0.003 0.000 0.336 617 A C -2.225 175.374 177.584 0.025 0.000 1.445 617 A CA -1.529 50.519 52.037 0.019 0.000 0.997 617 A CB -0.418 18.590 19.000 0.013 0.000 1.148 617 A HN 0.070 nan 8.150 nan 0.000 0.514 618 P HA -0.009 nan 4.420 nan 0.000 0.263 618 P C 0.223 177.539 177.300 0.025 0.000 1.247 618 P CA 0.268 63.389 63.100 0.036 0.000 0.876 618 P CB 0.750 32.478 31.700 0.046 0.000 0.928 619 Q N 2.812 122.628 119.800 0.026 0.000 2.436 619 Q HA 0.007 4.348 4.340 0.003 0.000 0.209 619 Q C 1.078 177.093 176.000 0.026 0.000 0.965 619 Q CA 1.554 57.369 55.803 0.020 0.000 0.910 619 Q CB -0.020 28.730 28.738 0.020 0.000 0.980 619 Q HN 0.706 nan 8.270 nan 0.000 0.491 620 G N -0.223 108.598 108.800 0.034 0.000 3.724 620 G HA2 -0.100 3.862 3.960 0.003 0.000 0.212 620 G HA3 -0.100 3.862 3.960 0.003 0.000 0.212 620 G C -0.568 174.365 174.900 0.054 0.000 0.928 620 G CA 0.021 45.150 45.100 0.049 0.000 0.879 620 G HN 0.392 nan 8.290 nan 0.000 0.424 621 Q N 0.013 119.832 119.800 0.033 0.000 2.386 621 Q HA 0.675 5.017 4.340 0.003 0.000 0.274 621 Q C -1.786 174.213 176.000 -0.002 0.000 1.011 621 Q CA -0.973 54.837 55.803 0.012 0.000 0.867 621 Q CB 2.494 31.229 28.738 -0.006 0.000 1.409 621 Q HN 0.217 nan 8.270 nan 0.000 0.395 622 V N 2.007 121.916 119.914 -0.008 0.000 2.483 622 V HA 0.762 4.884 4.120 0.003 0.000 0.295 622 V C -0.022 176.033 176.094 -0.064 0.000 1.035 622 V CA 0.020 62.314 62.300 -0.010 0.000 0.896 622 V CB 1.459 33.312 31.823 0.049 0.000 0.986 622 V HN 0.991 nan 8.190 nan 0.000 0.447 623 T N 1.365 115.841 114.554 -0.129 0.000 2.906 623 T HA 0.828 5.180 4.350 0.003 0.000 0.295 623 T C -1.082 173.500 174.700 -0.196 0.000 1.075 623 T CA -0.853 61.162 62.100 -0.142 0.000 1.005 623 T CB 1.972 70.764 68.868 -0.127 0.000 1.136 623 T HN 0.730 nan 8.240 nan 0.000 0.498 624 V N 0.297 120.145 119.914 -0.110 0.000 2.932 624 V HA 0.851 4.973 4.120 0.003 0.000 0.307 624 V C -1.170 174.896 176.094 -0.047 0.000 1.147 624 V CA -0.382 61.870 62.300 -0.081 0.000 0.951 624 V CB 1.675 33.495 31.823 -0.005 0.000 1.031 624 V HN 1.594 nan 8.190 nan 0.000 0.426 625 A N 4.493 127.291 122.820 -0.037 0.000 2.380 625 A HA 0.801 5.123 4.320 0.003 0.000 0.315 625 A C -0.265 177.313 177.584 -0.010 0.000 1.101 625 A CA -0.456 51.572 52.037 -0.014 0.000 0.771 625 A CB 1.402 20.398 19.000 -0.008 0.000 1.287 625 A HN 1.078 nan 8.150 nan 0.000 0.436 626 c N 1.290 119.898 118.600 0.014 0.000 2.601 626 c HA 0.395 4.967 4.570 0.003 0.000 0.409 626 c C 0.840 174.962 174.090 0.052 0.000 1.293 626 c CA -0.342 55.998 56.329 0.018 0.000 2.101 626 c CB -0.546 42.023 42.510 0.097 0.000 2.639 626 c HN 0.925 nan 8.230 nan 0.000 0.592 627 E N 0.871 121.087 120.200 0.026 0.000 2.422 627 E HA 0.150 4.502 4.350 0.003 0.000 0.260 627 E C 0.004 176.737 176.600 0.221 0.000 1.108 627 E CA -0.060 56.400 56.400 0.100 0.000 0.943 627 E CB 0.361 30.105 29.700 0.072 0.000 0.961 627 E HN 0.617 nan 8.360 nan 0.000 0.443 628 E N 0.451 120.750 120.200 0.166 0.000 2.608 628 E HA 0.030 4.382 4.350 0.003 0.000 0.259 628 E C 0.789 177.503 176.600 0.191 0.000 0.951 628 E CA 1.572 58.061 56.400 0.147 0.000 0.945 628 E CB -0.044 29.715 29.700 0.099 0.000 0.916 628 E HN 0.631 nan 8.360 nan 0.000 0.477 629 G N 2.769 111.637 108.800 0.113 0.000 2.232 629 G HA2 -0.258 3.704 3.960 0.003 0.000 0.226 629 G HA3 -0.258 3.704 3.960 0.003 0.000 0.226 629 G C -0.371 174.443 174.900 -0.144 0.000 0.996 629 G CA -0.060 45.026 45.100 -0.023 0.000 0.626 629 G HN 0.428 nan 8.290 nan 0.000 0.509 630 W N 0.820 122.120 121.300 -0.000 0.000 2.578 630 W HA 0.715 5.377 4.660 0.003 0.000 0.346 630 W C 0.155 176.672 176.519 -0.003 0.000 1.075 630 W CA -0.347 56.997 57.345 -0.001 0.000 1.233 630 W CB 1.611 31.075 29.460 0.007 0.000 1.358 630 W HN 0.037 nan 8.180 nan 0.000 0.574 631 T N 3.284 117.976 114.554 0.229 0.000 2.792 631 T HA 0.311 4.663 4.350 0.003 0.000 0.280 631 T C -0.890 173.902 174.700 0.154 0.000 0.990 631 T CA -0.688 61.495 62.100 0.137 0.000 0.960 631 T CB 0.854 69.751 68.868 0.048 0.000 0.939 631 T HN 0.231 nan 8.240 nan 0.000 0.439 632 L N 4.572 125.867 121.223 0.121 0.000 2.462 632 L HA 0.293 4.634 4.340 0.003 0.000 0.272 632 L C 1.377 178.299 176.870 0.087 0.000 1.166 632 L CA 1.004 55.901 54.840 0.095 0.000 0.880 632 L CB 0.402 42.505 42.059 0.073 0.000 1.142 632 L HN 0.898 nan 8.230 nan 0.000 0.473 633 T N 0.555 115.158 114.554 0.083 0.000 2.964 633 T HA 0.451 4.803 4.350 0.003 0.000 0.249 633 T C 0.590 175.325 174.700 0.059 0.000 1.000 633 T CA 0.289 62.433 62.100 0.074 0.000 0.992 633 T CB 0.123 69.041 68.868 0.084 0.000 1.087 633 T HN 0.711 nan 8.240 nan 0.000 0.489 634 G N -0.077 108.756 108.800 0.054 0.000 2.638 634 G HA2 0.558 4.520 3.960 0.003 0.000 0.302 634 G HA3 0.558 4.520 3.960 0.003 0.000 0.302 634 G C -1.575 173.344 174.900 0.032 0.000 1.365 634 G CA -0.685 44.442 45.100 0.045 0.000 0.987 634 G HN 0.450 nan 8.290 nan 0.000 0.495 635 c N 1.220 119.834 118.600 0.024 0.000 2.686 635 c HA 0.920 5.492 4.570 0.003 0.000 0.318 635 c C -0.246 173.852 174.090 0.014 0.000 1.160 635 c CA -0.250 56.085 56.329 0.009 0.000 1.396 635 c CB 0.861 43.366 42.510 -0.010 0.000 1.924 635 c HN 0.996 nan 8.230 nan 0.000 0.471 636 S N 2.543 118.251 115.700 0.014 0.000 2.567 636 S HA 0.839 5.311 4.470 0.003 0.000 0.270 636 S C -1.062 173.558 174.600 0.033 0.000 1.152 636 S CA 0.224 58.447 58.200 0.038 0.000 0.835 636 S CB 1.585 64.816 63.200 0.052 0.000 1.115 636 S HN 1.726 nan 8.310 nan 0.000 0.459 637 A N 2.728 125.580 122.820 0.053 0.000 2.340 637 A HA 0.770 5.091 4.320 0.003 0.000 0.331 637 A C -0.605 177.010 177.584 0.052 0.000 1.140 637 A CA -0.653 51.414 52.037 0.050 0.000 0.801 637 A CB 0.559 19.596 19.000 0.063 0.000 1.234 637 A HN 0.823 nan 8.150 nan 0.000 0.469 638 L N 3.476 124.721 121.223 0.038 0.000 2.499 638 L HA 0.201 4.543 4.340 0.003 0.000 0.273 638 L C -1.427 175.459 176.870 0.027 0.000 1.195 638 L CA -1.205 53.652 54.840 0.028 0.000 0.882 638 L CB 0.355 42.424 42.059 0.016 0.000 1.133 638 L HN 0.596 nan 8.230 nan 0.000 0.483 639 P HA 0.107 nan 4.420 nan 0.000 0.274 639 P C 0.593 177.895 177.300 0.003 0.000 1.260 639 P CA 0.192 63.298 63.100 0.010 0.000 0.793 639 P CB 0.748 32.456 31.700 0.012 0.000 1.048 640 G N -1.485 107.325 108.800 0.016 0.000 2.176 640 G HA2 -0.161 3.801 3.960 0.003 0.000 0.232 640 G HA3 -0.161 3.801 3.960 0.003 0.000 0.232 640 G C 0.149 175.047 174.900 -0.004 0.000 0.986 640 G CA 0.213 45.321 45.100 0.014 0.000 0.643 640 G HN 0.749 nan 8.290 nan 0.000 0.522 641 T N 0.784 115.332 114.554 -0.010 0.000 2.907 641 T HA 0.570 4.922 4.350 0.003 0.000 0.284 641 T C 1.489 176.154 174.700 -0.058 0.000 1.004 641 T CA 0.379 62.474 62.100 -0.007 0.000 1.063 641 T CB 1.643 70.531 68.868 0.032 0.000 0.992 641 T HN 0.718 nan 8.240 nan 0.000 0.483 642 S N 0.640 116.270 115.700 -0.115 0.000 2.492 642 S HA 0.013 4.485 4.470 0.003 0.000 0.218 642 S C 0.699 175.103 174.600 -0.327 0.000 1.016 642 S CA 0.071 58.111 58.200 -0.266 0.000 0.916 642 S CB -0.055 62.902 63.200 -0.405 0.000 0.791 642 S HN 0.726 nan 8.310 nan 0.000 0.513 643 H N 1.379 120.473 119.070 0.041 0.000 2.499 643 H HA 0.543 5.100 4.556 0.003 0.000 0.262 643 H C -1.007 174.366 175.328 0.076 0.000 1.363 643 H CA -0.218 55.864 56.048 0.057 0.000 1.072 643 H CB 0.219 30.011 29.762 0.051 0.000 1.602 643 H HN 0.172 nan 8.280 nan 0.000 0.526 644 V N 2.551 122.555 119.914 0.149 0.000 2.384 644 V HA 0.101 4.222 4.120 0.003 0.000 0.287 644 V C 1.353 177.560 176.094 0.188 0.000 1.020 644 V CA -0.347 62.050 62.300 0.162 0.000 0.850 644 V CB 2.104 34.008 31.823 0.135 0.000 0.987 644 V HN 0.465 nan 8.190 nan 0.000 0.436 645 L N 3.716 125.082 121.223 0.239 0.000 2.270 645 L HA 0.478 4.820 4.340 0.003 0.000 0.210 645 L C 1.145 178.237 176.870 0.370 0.000 1.104 645 L CA 1.084 56.084 54.840 0.266 0.000 0.804 645 L CB -0.113 42.173 42.059 0.379 0.000 0.937 645 L HN 0.871 nan 8.230 nan 0.000 0.450 646 G N -0.838 108.210 108.800 0.414 0.000 2.343 646 G HA2 0.492 4.453 3.960 0.003 0.000 0.289 646 G HA3 0.492 4.453 3.960 0.003 0.000 0.289 646 G C -2.169 172.869 174.900 0.230 0.000 1.295 646 G CA -0.129 45.216 45.100 0.407 0.000 0.869 646 G HN 0.168 nan 8.290 nan 0.000 0.522 647 A N -0.868 122.039 122.820 0.144 0.000 2.549 647 A HA 1.030 5.351 4.320 0.003 0.000 0.297 647 A C -1.177 176.365 177.584 -0.070 0.000 1.061 647 A CA -0.303 51.680 52.037 -0.089 0.000 0.690 647 A CB 1.531 20.511 19.000 -0.033 0.000 1.287 647 A HN 2.283 nan 8.150 nan 0.000 0.402 648 Y N -1.649 118.613 120.300 -0.064 0.000 2.592 648 Y HA 0.768 5.320 4.550 0.003 0.000 0.334 648 Y C -0.203 175.670 175.900 -0.045 0.000 1.136 648 Y CA -1.011 57.016 58.100 -0.122 0.000 1.042 648 Y CB 0.879 39.209 38.460 -0.217 0.000 1.325 648 Y HN 1.163 nan 8.280 nan 0.000 0.457 649 A N 1.544 124.450 122.820 0.143 0.000 2.366 649 A HA 0.667 4.989 4.320 0.003 0.000 0.272 649 A C -1.008 176.708 177.584 0.221 0.000 1.135 649 A CA -0.622 51.489 52.037 0.124 0.000 0.804 649 A CB 0.372 19.418 19.000 0.076 0.000 1.064 649 A HN 0.752 nan 8.150 nan 0.000 0.499 650 V N 4.201 124.227 119.914 0.185 0.000 2.304 650 V HA 0.328 4.450 4.120 0.003 0.000 0.278 650 V C 0.471 176.631 176.094 0.111 0.000 1.018 650 V CA 0.190 62.596 62.300 0.177 0.000 0.814 650 V CB 0.088 32.023 31.823 0.186 0.000 1.021 650 V HN 1.250 nan 8.190 nan 0.000 0.440 651 D N 4.485 124.947 120.400 0.104 0.000 3.996 651 D HA -0.283 4.359 4.640 0.003 0.000 0.140 651 D C 0.881 177.230 176.300 0.082 0.000 0.829 651 D CA 2.171 56.221 54.000 0.083 0.000 1.111 651 D CB -0.458 40.377 40.800 0.059 0.000 0.516 651 D HN 0.512 nan 8.370 nan 0.000 0.517 652 N N -0.343 118.399 118.700 0.070 0.000 2.251 652 N HA 0.190 4.932 4.740 0.003 0.000 0.217 652 N C -0.823 174.716 175.510 0.049 0.000 1.124 652 N CA 0.407 53.499 53.050 0.070 0.000 0.843 652 N CB 0.537 39.072 38.487 0.079 0.000 1.024 652 N HN 0.238 nan 8.380 nan 0.000 0.501 653 T N 0.260 114.840 114.554 0.043 0.000 2.824 653 T HA 0.216 4.567 4.350 0.003 0.000 0.280 653 T C -0.248 174.457 174.700 0.010 0.000 0.995 653 T CA -0.441 61.669 62.100 0.018 0.000 1.009 653 T CB 1.952 70.826 68.868 0.010 0.000 0.955 653 T HN 0.085 nan 8.240 nan 0.000 0.452 654 c N 4.612 123.200 118.600 -0.019 0.000 2.347 654 c HA 0.715 5.286 4.570 0.003 0.000 0.353 654 c C -0.225 173.803 174.090 -0.103 0.000 1.273 654 c CA -0.270 56.032 56.329 -0.046 0.000 1.861 654 c CB -1.185 41.306 42.510 -0.032 0.000 2.420 654 c HN 0.696 nan 8.230 nan 0.000 0.542 655 V N 7.453 127.245 119.914 -0.204 0.000 2.444 655 V HA 0.440 4.561 4.120 0.003 0.000 0.294 655 V C -0.189 175.660 176.094 -0.410 0.000 1.022 655 V CA -0.381 61.727 62.300 -0.319 0.000 0.850 655 V CB 1.581 33.137 31.823 -0.446 0.000 0.992 655 V HN 0.751 nan 8.190 nan 0.000 0.426 656 V N 5.998 125.778 119.914 -0.223 0.000 2.435 656 V HA 0.578 4.700 4.120 0.003 0.000 0.290 656 V C 0.007 176.053 176.094 -0.080 0.000 1.030 656 V CA -0.834 61.383 62.300 -0.138 0.000 0.881 656 V CB 1.891 33.691 31.823 -0.037 0.000 0.983 656 V HN 0.706 nan 8.190 nan 0.000 0.445 657 R N 3.039 123.534 120.500 -0.008 0.000 2.295 657 R HA 0.532 4.874 4.340 0.003 0.000 0.324 657 R C -0.124 176.280 176.300 0.173 0.000 0.968 657 R CA -0.180 55.985 56.100 0.107 0.000 0.837 657 R CB 1.763 32.207 30.300 0.240 0.000 1.133 657 R HN 0.857 nan 8.270 nan 0.000 0.450 658 S N 2.322 118.106 115.700 0.140 0.000 2.578 658 S HA 0.560 5.032 4.470 0.003 0.000 0.301 658 S C 0.217 174.902 174.600 0.142 0.000 1.091 658 S CA -0.950 57.339 58.200 0.147 0.000 1.032 658 S CB 2.681 65.947 63.200 0.111 0.000 1.064 658 S HN 0.560 nan 8.310 nan 0.000 0.508 672 V N 1.293 121.236 119.914 0.047 0.000 2.735 672 V HA 0.830 4.951 4.120 0.003 0.000 0.310 672 V C -0.112 176.013 176.094 0.051 0.000 1.061 672 V CA -0.496 61.835 62.300 0.052 0.000 0.913 672 V CB 2.397 34.259 31.823 0.065 0.000 1.005 672 V HN 0.980 nan 8.190 nan 0.000 0.428 673 T N 3.198 117.778 114.554 0.044 0.000 2.812 673 T HA 0.688 5.039 4.350 0.003 0.000 0.282 673 T C -0.133 174.594 174.700 0.045 0.000 0.990 673 T CA -0.291 61.835 62.100 0.045 0.000 0.960 673 T CB 1.587 70.468 68.868 0.022 0.000 0.948 673 T HN 0.955 nan 8.240 nan 0.000 0.438 674 A N 3.049 125.903 122.820 0.057 0.000 2.289 674 A HA 0.688 5.010 4.320 0.003 0.000 0.298 674 A C -0.231 177.371 177.584 0.030 0.000 1.208 674 A CA -0.550 51.506 52.037 0.032 0.000 0.845 674 A CB 0.355 19.362 19.000 0.012 0.000 1.125 674 A HN 0.695 nan 8.150 nan 0.000 0.517 675 V N 2.346 122.271 119.914 0.017 0.000 2.378 675 V HA 0.621 4.743 4.120 0.003 0.000 0.288 675 V C 0.472 176.571 176.094 0.008 0.000 1.016 675 V CA -0.326 61.982 62.300 0.014 0.000 0.840 675 V CB 1.012 32.846 31.823 0.018 0.000 0.994 675 V HN 1.111 nan 8.190 nan 0.000 0.431 676 A N 6.180 129.000 122.820 -0.001 0.000 2.317 676 A HA 0.878 5.200 4.320 0.003 0.000 0.327 676 A C -0.558 177.024 177.584 -0.004 0.000 1.178 676 A CA -0.567 51.469 52.037 -0.002 0.000 0.817 676 A CB 0.695 19.689 19.000 -0.010 0.000 1.189 676 A HN 0.788 nan 8.150 nan 0.000 0.489 677 I N 1.714 122.294 120.570 0.016 0.000 2.339 677 I HA 0.284 4.455 4.170 0.003 0.000 0.290 677 I C -0.700 175.446 176.117 0.049 0.000 0.994 677 I CA -0.291 61.024 61.300 0.025 0.000 1.191 677 I CB 1.276 39.303 38.000 0.045 0.000 1.343 677 I HN 0.524 nan 8.210 nan 0.000 0.458 678 c N 5.324 123.951 118.600 0.045 0.000 2.417 678 c HA 0.706 5.277 4.570 0.003 0.000 0.324 678 c C 0.181 174.482 174.090 0.352 0.000 1.240 678 c CA -0.640 55.776 56.329 0.145 0.000 1.632 678 c CB 0.527 43.047 42.510 0.017 0.000 2.241 678 c HN 0.829 nan 8.230 nan 0.000 0.499 679 c N 2.008 120.856 118.600 0.415 0.000 3.044 679 c HA 1.006 5.577 4.570 0.003 0.000 0.315 679 c C -0.204 173.999 174.090 0.190 0.000 1.320 679 c CA -0.822 55.740 56.329 0.388 0.000 1.582 679 c CB 1.873 44.496 42.510 0.189 0.000 2.039 679 c HN 1.101 nan 8.230 nan 0.000 0.466 680 R N -0.508 119.955 120.500 -0.062 0.000 2.747 680 R HA 0.730 5.072 4.340 0.003 0.000 0.272 680 R C -1.673 174.557 176.300 -0.116 0.000 1.032 680 R CA -0.424 55.543 56.100 -0.221 0.000 0.896 680 R CB 0.997 30.912 30.300 -0.642 0.000 1.253 680 R HN 0.510 nan 8.270 nan 0.000 0.461 681 S N 0.367 116.049 115.700 -0.031 0.000 2.566 681 S HA 0.434 4.905 4.470 0.003 0.000 0.324 681 S C -0.425 174.126 174.600 -0.082 0.000 1.081 681 S CA -0.885 57.298 58.200 -0.029 0.000 1.105 681 S CB 0.957 64.174 63.200 0.028 0.000 0.981 681 S HN 0.371 nan 8.310 nan 0.000 0.464 682 R N 0.000 120.424 120.500 -0.126 0.000 2.786 682 R HA 0.000 4.342 4.340 0.003 0.000 0.208 682 R CA 0.000 56.030 56.100 -0.117 0.000 0.921 682 R CB 0.000 30.236 30.300 -0.106 0.000 0.687 682 R HN 0.000 nan 8.270 nan 0.000 0.535