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 2odq_1_A DATA FIRST_RESID 224 DATA SEQUENCE KIQIQRSGHL NLYLLLDASQ SVSENDFLIF KESASLMVDR IFSFEINVSV DATA SEQUENCE AIITFASEPK VLMSVLNDNS RDMTEVISSL ENANYKDHEN GTGTNTYAAL DATA SEQUENCE NSVYLMMNNQ MRLLGMETMA WQEIRHAIIL LTDGKSNMGG SPKTAVDHIR DATA SEQUENCE EILNINQKRN DYLDIYAIGV GKLDVDWREL NELGSKKDGE RHAFILQDTK DATA SEQUENCE ALHQVFEHML DVSKLTDTIc GVGNMSANAS DQERTPWHVT IKPXXXXTcR DATA SEQUENCE GALISDQWVL TAAHcFXXXX XXSLWRVNVG DPKSQWGKEF LIEKAVISPG DATA SEQUENCE FDVFAKKNQG ILEFYGDDIA LLKLAQKVKM STHARPIcLP cTMEANLALR DATA SEQUENCE RPQGSTcRDH ENELLNKQSV PAHFVALNGS KLNINLKMGV EWTScAEVVS DATA SEQUENCE QEKTMFPNLT DVREVVTDQF LcSGTQEDES PcKGESGGAV FLERRFRFFQ DATA SEQUENCE VGLVSWGLYN PcLXXXXXNS RKRAPRSKVP PPRDFHINLF RMQPWLRQHL DATA SEQUENCE GDVLNFL 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 224 K HA 0.000 nan 4.320 nan 0.000 0.191 224 K C 0.000 176.650 176.600 0.083 0.000 0.988 224 K CA 0.000 56.352 56.287 0.108 0.000 0.838 224 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 225 I N 2.685 123.254 120.570 -0.002 0.000 2.352 225 I HA 0.122 4.291 4.170 -0.001 0.000 0.290 225 I C 0.038 176.046 176.117 -0.181 0.000 1.036 225 I CA -0.270 60.987 61.300 -0.072 0.000 1.336 225 I CB 0.936 38.850 38.000 -0.142 0.000 1.407 225 I HN 0.263 nan 8.210 nan 0.000 0.497 226 Q N 6.063 125.758 119.800 -0.176 0.000 2.256 226 Q HA 0.474 4.814 4.340 -0.001 0.000 0.254 226 Q C -0.829 175.011 176.000 -0.267 0.000 0.916 226 Q CA -0.659 55.015 55.803 -0.214 0.000 0.932 226 Q CB 2.382 31.008 28.738 -0.187 0.000 1.207 226 Q HN 0.466 nan 8.270 nan 0.000 0.426 227 I N 4.106 124.481 120.570 -0.325 0.000 2.359 227 I HA 0.231 4.401 4.170 -0.001 0.000 0.284 227 I C -0.092 175.859 176.117 -0.276 0.000 1.018 227 I CA -0.113 60.948 61.300 -0.398 0.000 1.173 227 I CB 0.497 38.054 38.000 -0.739 0.000 1.326 227 I HN 0.740 nan 8.210 nan 0.000 0.462 228 Q N 5.374 125.051 119.800 -0.206 0.000 2.687 228 Q HA 0.559 4.898 4.340 -0.001 0.000 0.295 228 Q C -0.452 175.485 176.000 -0.105 0.000 0.920 228 Q CA -0.955 54.764 55.803 -0.139 0.000 0.766 228 Q CB 1.768 30.428 28.738 -0.130 0.000 1.467 228 Q HN 0.200 nan 8.270 nan 0.000 0.415 229 R N 0.196 120.656 120.500 -0.067 0.000 2.210 229 R HA 0.132 4.471 4.340 -0.001 0.000 0.203 229 R C 0.463 176.744 176.300 -0.033 0.000 1.010 229 R CA 0.867 56.944 56.100 -0.040 0.000 1.008 229 R CB 0.088 30.376 30.300 -0.019 0.000 0.923 229 R HN 0.789 nan 8.270 nan 0.000 0.469 230 S N -0.166 115.509 115.700 -0.042 0.000 2.565 230 S HA 0.602 5.071 4.470 -0.001 0.000 0.274 230 S C 0.783 175.362 174.600 -0.034 0.000 1.309 230 S CA -0.001 58.184 58.200 -0.025 0.000 1.043 230 S CB 1.963 65.151 63.200 -0.020 0.000 0.939 230 S HN 0.521 nan 8.310 nan 0.000 0.504 231 G N 1.247 110.046 108.800 -0.001 0.000 2.568 231 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.222 231 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.222 231 G C -0.709 174.222 174.900 0.051 0.000 1.321 231 G CA 0.026 45.134 45.100 0.013 0.000 0.893 231 G HN 1.402 nan 8.290 nan 0.000 0.569 232 H N -1.697 117.312 119.070 -0.102 0.000 2.996 232 H HA 0.677 5.232 4.556 -0.001 0.000 0.368 232 H C -1.172 174.049 175.328 -0.178 0.000 1.185 232 H CA -0.463 55.516 56.048 -0.116 0.000 1.160 232 H CB 1.702 31.412 29.762 -0.088 0.000 1.820 232 H HN 1.064 nan 8.280 nan 0.000 0.547 233 L N 3.514 124.479 121.223 -0.431 0.000 2.333 233 L HA 0.543 4.882 4.340 -0.001 0.000 0.280 233 L C -1.381 175.324 176.870 -0.276 0.000 1.004 233 L CA -0.471 54.184 54.840 -0.309 0.000 0.820 233 L CB 1.325 43.209 42.059 -0.292 0.000 1.247 233 L HN 0.629 nan 8.230 nan 0.000 0.416 234 N N 4.484 123.049 118.700 -0.226 0.000 2.408 234 N HA 0.537 5.277 4.740 -0.001 0.000 0.280 234 N C -1.345 173.973 175.510 -0.319 0.000 1.002 234 N CA -0.249 52.633 53.050 -0.280 0.000 0.907 234 N CB 1.819 40.153 38.487 -0.255 0.000 1.161 234 N HN 0.590 nan 8.380 nan 0.000 0.488 235 L N 3.431 124.436 121.223 -0.363 0.000 2.313 235 L HA 0.520 4.860 4.340 -0.001 0.000 0.283 235 L C -1.641 175.080 176.870 -0.248 0.000 1.013 235 L CA -0.650 54.087 54.840 -0.172 0.000 0.816 235 L CB 0.531 42.549 42.059 -0.069 0.000 1.236 235 L HN 0.403 nan 8.230 nan 0.000 0.419 236 Y N 5.679 126.054 120.300 0.124 0.000 2.334 236 Y HA 0.518 5.067 4.550 -0.001 0.000 0.336 236 Y C -0.457 175.511 175.900 0.114 0.000 0.960 236 Y CA -0.896 57.278 58.100 0.122 0.000 1.164 236 Y CB 1.147 39.683 38.460 0.126 0.000 1.155 236 Y HN 0.347 nan 8.280 nan 0.000 0.478 237 L N 5.695 127.045 121.223 0.213 0.000 2.262 237 L HA 0.374 4.713 4.340 -0.001 0.000 0.288 237 L C -1.112 175.867 176.870 0.180 0.000 1.035 237 L CA -0.776 54.159 54.840 0.159 0.000 0.820 237 L CB 0.860 42.979 42.059 0.100 0.000 1.204 237 L HN 0.463 nan 8.230 nan 0.000 0.424 238 L N 5.730 127.064 121.223 0.185 0.000 2.276 238 L HA 0.428 4.768 4.340 -0.001 0.000 0.286 238 L C -0.105 176.941 176.870 0.294 0.000 1.024 238 L CA 0.005 55.002 54.840 0.262 0.000 0.826 238 L CB 1.314 43.491 42.059 0.197 0.000 1.211 238 L HN 0.370 nan 8.230 nan 0.000 0.422 239 L N 2.323 123.713 121.223 0.277 0.000 2.280 239 L HA 0.405 4.745 4.340 -0.001 0.000 0.287 239 L C -0.044 176.774 176.870 -0.086 0.000 1.023 239 L CA -0.760 54.144 54.840 0.106 0.000 0.819 239 L CB 1.386 43.545 42.059 0.166 0.000 1.212 239 L HN 0.437 nan 8.230 nan 0.000 0.420 240 D N 3.365 123.515 120.400 -0.416 0.000 2.358 240 D HA 0.228 4.868 4.640 -0.001 0.000 0.258 240 D C 0.390 176.649 176.300 -0.067 0.000 1.223 240 D CA 0.100 53.596 54.000 -0.839 0.000 0.886 240 D CB 1.701 42.205 40.800 -0.494 0.000 1.120 240 D HN 0.677 nan 8.370 nan 0.000 0.482 241 A N 3.321 125.904 122.820 -0.396 0.000 2.637 241 A HA 0.243 4.562 4.320 -0.001 0.000 0.293 241 A C 0.819 178.113 177.584 -0.483 0.000 1.216 241 A CA -0.285 51.503 52.037 -0.415 0.000 0.956 241 A CB -0.298 18.287 19.000 -0.691 0.000 1.174 241 A HN 0.506 nan 8.150 nan 0.000 0.525 242 S N -1.049 114.485 115.700 -0.276 0.000 2.596 242 S HA 0.121 4.591 4.470 -0.001 0.000 0.260 242 S C 1.016 175.611 174.600 -0.009 0.000 1.336 242 S CA 0.235 58.340 58.200 -0.159 0.000 0.993 242 S CB 0.706 63.858 63.200 -0.079 0.000 0.923 242 S HN 0.298 nan 8.310 nan 0.000 0.567 243 Q N 1.082 120.889 119.800 0.012 0.000 2.368 243 Q HA -0.097 4.242 4.340 -0.001 0.000 0.210 243 Q C 1.963 178.028 176.000 0.107 0.000 0.982 243 Q CA 1.882 57.736 55.803 0.085 0.000 0.884 243 Q CB -0.807 27.961 28.738 0.050 0.000 0.933 243 Q HN 0.897 nan 8.270 nan 0.000 0.460 244 S N -1.763 113.995 115.700 0.097 0.000 2.593 244 S HA 0.123 4.593 4.470 -0.001 0.000 0.217 244 S C 0.461 175.128 174.600 0.112 0.000 0.966 244 S CA 0.008 58.266 58.200 0.096 0.000 0.914 244 S CB -0.160 63.096 63.200 0.093 0.000 0.776 244 S HN 0.202 nan 8.310 nan 0.000 0.523 245 V N 0.329 120.337 119.914 0.157 0.000 2.604 245 V HA 0.824 4.944 4.120 -0.001 0.000 0.305 245 V C -0.217 175.912 176.094 0.059 0.000 1.043 245 V CA -0.760 61.622 62.300 0.137 0.000 0.888 245 V CB 1.514 33.472 31.823 0.226 0.000 0.995 245 V HN 0.347 nan 8.190 nan 0.000 0.429 246 S N 2.939 118.572 115.700 -0.112 0.000 2.645 246 S HA 0.369 4.838 4.470 -0.001 0.000 0.266 246 S C 0.777 175.048 174.600 -0.547 0.000 1.258 246 S CA -0.440 57.581 58.200 -0.298 0.000 0.990 246 S CB 0.965 64.054 63.200 -0.185 0.000 0.967 246 S HN 0.840 nan 8.310 nan 0.000 0.556 247 E N 0.792 120.535 120.200 -0.762 0.000 2.333 247 E HA -0.190 4.159 4.350 -0.001 0.000 0.200 247 E C 1.003 177.489 176.600 -0.189 0.000 1.010 247 E CA 0.845 56.906 56.400 -0.565 0.000 0.841 247 E CB -0.254 29.219 29.700 -0.378 0.000 0.757 247 E HN 0.485 nan 8.360 nan 0.000 0.508 248 N N 0.995 119.581 118.700 -0.190 0.000 2.148 248 N HA -0.105 4.635 4.740 -0.001 0.000 0.186 248 N C 1.342 176.744 175.510 -0.181 0.000 1.031 248 N CA 0.891 53.859 53.050 -0.137 0.000 0.848 248 N CB -0.347 38.071 38.487 -0.116 0.000 1.005 248 N HN 0.089 nan 8.380 nan 0.000 0.427 249 D N 0.537 120.800 120.400 -0.229 0.000 2.126 249 D HA -0.202 4.438 4.640 -0.001 0.000 0.190 249 D C 1.723 177.652 176.300 -0.620 0.000 1.001 249 D CA 0.884 54.634 54.000 -0.416 0.000 0.841 249 D CB -0.693 39.912 40.800 -0.326 0.000 0.949 249 D HN 0.257 nan 8.370 nan 0.000 0.446 250 F N 0.557 120.238 119.950 -0.448 0.000 2.216 250 F HA -0.114 4.412 4.527 -0.001 0.000 0.300 250 F C 2.222 177.957 175.800 -0.109 0.000 1.085 250 F CA 0.776 58.652 58.000 -0.206 0.000 1.326 250 F CB 0.064 39.105 39.000 0.069 0.000 1.027 250 F HN -0.088 nan 8.300 nan 0.000 0.497 251 L N -0.468 120.685 121.223 -0.116 0.000 2.179 251 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 251 L C 2.021 178.794 176.870 -0.163 0.000 1.096 251 L CA 0.152 54.911 54.840 -0.136 0.000 0.779 251 L CB -0.320 41.705 42.059 -0.056 0.000 0.922 251 L HN 0.127 nan 8.230 nan 0.000 0.443 252 I N -0.805 119.643 120.570 -0.204 0.000 2.546 252 I HA -0.237 3.932 4.170 -0.001 0.000 0.255 252 I C 2.282 178.383 176.117 -0.028 0.000 1.163 252 I CA 1.459 62.678 61.300 -0.136 0.000 1.457 252 I CB -1.133 36.776 38.000 -0.153 0.000 1.092 252 I HN 0.190 nan 8.210 nan 0.000 0.434 253 F N 1.414 121.291 119.950 -0.121 0.000 2.113 253 F HA -0.194 4.333 4.527 -0.001 0.000 0.297 253 F C 2.468 178.138 175.800 -0.216 0.000 1.103 253 F CA 0.723 58.631 58.000 -0.153 0.000 1.248 253 F CB -0.280 38.606 39.000 -0.191 0.000 0.999 253 F HN 0.004 nan 8.300 nan 0.000 0.475 254 K N 0.390 120.698 120.400 -0.153 0.000 2.103 254 K HA -0.248 4.071 4.320 -0.001 0.000 0.207 254 K C 1.850 178.404 176.600 -0.076 0.000 1.048 254 K CA 1.836 58.020 56.287 -0.170 0.000 0.930 254 K CB -0.347 32.012 32.500 -0.236 0.000 0.716 254 K HN 0.354 nan 8.250 nan 0.000 0.444 255 E N 0.963 121.127 120.200 -0.060 0.000 2.047 255 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 255 E C 1.843 178.428 176.600 -0.025 0.000 0.987 255 E CA 1.499 57.876 56.400 -0.039 0.000 0.799 255 E CB 0.060 29.738 29.700 -0.037 0.000 0.752 255 E HN 0.061 nan 8.360 nan 0.000 0.449 256 S N 0.755 116.454 115.700 -0.001 0.000 2.359 256 S HA -0.211 4.258 4.470 -0.001 0.000 0.224 256 S C 2.118 176.675 174.600 -0.072 0.000 1.035 256 S CA 1.198 59.390 58.200 -0.013 0.000 1.018 256 S CB -0.494 62.735 63.200 0.048 0.000 0.876 256 S HN 0.538 nan 8.310 nan 0.000 0.448 257 A N 0.862 123.653 122.820 -0.049 0.000 1.940 257 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 257 A C 2.314 179.862 177.584 -0.059 0.000 1.176 257 A CA 2.000 53.999 52.037 -0.063 0.000 0.631 257 A CB -1.053 17.932 19.000 -0.025 0.000 0.814 257 A HN 0.440 nan 8.150 nan 0.000 0.446 258 S N -0.745 114.932 115.700 -0.038 0.000 2.353 258 S HA -0.167 4.303 4.470 -0.001 0.000 0.222 258 S C 1.954 176.555 174.600 0.002 0.000 1.035 258 S CA 1.514 59.706 58.200 -0.014 0.000 1.025 258 S CB -0.502 62.686 63.200 -0.019 0.000 0.902 258 S HN 0.590 nan 8.310 nan 0.000 0.440 259 L N 0.846 122.058 121.223 -0.018 0.000 2.043 259 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 259 L C 2.318 179.136 176.870 -0.088 0.000 1.075 259 L CA 1.840 56.689 54.840 0.014 0.000 0.752 259 L CB -0.319 41.730 42.059 -0.017 0.000 0.891 259 L HN 0.397 nan 8.230 nan 0.000 0.432 260 M N -1.622 117.793 119.600 -0.308 0.000 2.156 260 M HA -0.158 4.321 4.480 -0.001 0.000 0.264 260 M C 2.129 178.301 176.300 -0.214 0.000 1.067 260 M CA 1.444 56.333 55.300 -0.685 0.000 1.131 260 M CB -0.350 31.705 32.600 -0.908 0.000 1.368 260 M HN 0.191 nan 8.290 nan 0.000 0.416 261 V N 1.076 120.973 119.914 -0.028 0.000 2.231 261 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 261 V C 1.865 178.162 176.094 0.338 0.000 1.054 261 V CA 2.200 64.619 62.300 0.199 0.000 1.015 261 V CB -1.037 30.900 31.823 0.189 0.000 0.638 261 V HN 0.429 nan 8.190 nan 0.000 0.444 262 D N -0.194 120.356 120.400 0.250 0.000 2.123 262 D HA -0.204 4.436 4.640 -0.001 0.000 0.196 262 D C 2.263 178.806 176.300 0.405 0.000 0.992 262 D CA 1.531 55.737 54.000 0.343 0.000 0.833 262 D CB -0.374 40.658 40.800 0.386 0.000 0.954 262 D HN 0.266 nan 8.370 nan 0.000 0.455 263 R N 0.616 121.232 120.500 0.193 0.000 2.066 263 R HA -0.048 4.291 4.340 -0.001 0.000 0.232 263 R C 2.180 178.585 176.300 0.175 0.000 1.131 263 R CA 0.618 56.648 56.100 -0.117 0.000 0.955 263 R CB -1.020 29.156 30.300 -0.206 0.000 0.851 263 R HN 0.095 nan 8.270 nan 0.000 0.432 264 I N -0.052 120.679 120.570 0.267 0.000 2.264 264 I HA -0.181 3.989 4.170 -0.001 0.000 0.248 264 I C 1.354 177.504 176.117 0.055 0.000 1.111 264 I CA 1.358 62.771 61.300 0.188 0.000 1.382 264 I CB -0.254 37.784 38.000 0.062 0.000 1.060 264 I HN 0.127 nan 8.210 nan 0.000 0.418 265 F N -0.060 119.968 119.950 0.129 0.000 2.771 265 F HA -0.066 4.460 4.527 -0.000 0.000 0.299 265 F C 2.564 178.408 175.800 0.074 0.000 1.177 265 F CA 0.828 58.885 58.000 0.095 0.000 1.450 265 F CB -0.717 38.324 39.000 0.067 0.000 1.114 265 F HN 0.156 nan 8.300 nan 0.000 0.587 266 S N -1.005 114.778 115.700 0.139 0.000 2.489 266 S HA -0.111 4.358 4.470 -0.001 0.000 0.228 266 S C 1.433 175.915 174.600 -0.196 0.000 0.995 266 S CA 0.591 58.751 58.200 -0.068 0.000 0.934 266 S CB -0.804 62.288 63.200 -0.180 0.000 0.771 266 S HN 0.303 nan 8.310 nan 0.000 0.522 267 F N 1.511 121.484 119.950 0.038 0.000 2.727 267 F HA 0.406 4.933 4.527 -0.000 0.000 0.302 267 F C 0.909 176.708 175.800 -0.003 0.000 1.097 267 F CA -0.232 57.767 58.000 -0.001 0.000 1.330 267 F CB -0.501 38.469 39.000 -0.049 0.000 1.084 267 F HN 0.134 nan 8.300 nan 0.000 0.578 268 E N 0.237 120.533 120.200 0.160 0.000 2.791 268 E HA -0.244 4.106 4.350 -0.001 0.000 0.271 268 E C 0.035 176.677 176.600 0.071 0.000 1.044 268 E CA 0.457 56.923 56.400 0.111 0.000 0.814 268 E CB -1.939 27.815 29.700 0.090 0.000 1.400 268 E HN 0.561 nan 8.360 nan 0.000 0.423 269 I N -2.478 118.115 120.570 0.039 0.000 3.078 269 I HA 0.304 4.474 4.170 -0.001 0.000 0.318 269 I C 0.310 176.367 176.117 -0.101 0.000 1.016 269 I CA -0.436 60.840 61.300 -0.041 0.000 1.130 269 I CB 0.718 38.664 38.000 -0.090 0.000 1.397 269 I HN -0.108 nan 8.210 nan 0.000 0.570 270 N N 1.502 120.111 118.700 -0.150 0.000 2.406 270 N HA 0.532 5.271 4.740 -0.001 0.000 0.251 270 N C -1.171 173.972 175.510 -0.611 0.000 1.069 270 N CA -0.376 52.542 53.050 -0.220 0.000 0.947 270 N CB 1.517 39.977 38.487 -0.044 0.000 1.111 270 N HN 0.539 nan 8.380 nan 0.000 0.497 271 V N 1.708 121.290 119.914 -0.553 0.000 2.888 271 V HA 0.552 4.671 4.120 -0.001 0.000 0.309 271 V C -1.131 174.775 176.094 -0.313 0.000 1.114 271 V CA -0.397 61.540 62.300 -0.606 0.000 0.940 271 V CB 2.180 33.672 31.823 -0.551 0.000 1.021 271 V HN 0.579 nan 8.190 nan 0.000 0.426 272 S N 4.581 120.189 115.700 -0.154 0.000 2.482 272 S HA 0.766 5.235 4.470 -0.001 0.000 0.303 272 S C -0.801 173.757 174.600 -0.070 0.000 1.091 272 S CA -0.603 57.624 58.200 0.044 0.000 1.057 272 S CB 1.804 65.111 63.200 0.178 0.000 1.031 272 S HN 0.754 nan 8.310 nan 0.000 0.485 273 V N 2.234 122.164 119.914 0.026 0.000 2.384 273 V HA 0.721 4.840 4.120 -0.001 0.000 0.287 273 V C 0.254 176.354 176.094 0.010 0.000 1.020 273 V CA -0.743 61.560 62.300 0.006 0.000 0.850 273 V CB 1.013 32.915 31.823 0.133 0.000 0.987 273 V HN 1.008 nan 8.190 nan 0.000 0.436 274 A N 6.513 129.300 122.820 -0.056 0.000 2.306 274 A HA 0.866 5.185 4.320 -0.001 0.000 0.314 274 A C -0.576 177.080 177.584 0.119 0.000 1.164 274 A CA -0.480 51.591 52.037 0.057 0.000 0.822 274 A CB 0.572 19.648 19.000 0.126 0.000 1.130 274 A HN 0.644 nan 8.150 nan 0.000 0.496 275 I N 2.849 123.502 120.570 0.138 0.000 2.447 275 I HA 0.418 4.587 4.170 -0.001 0.000 0.287 275 I C -0.788 175.436 176.117 0.177 0.000 1.023 275 I CA -0.096 61.292 61.300 0.147 0.000 1.083 275 I CB 1.092 39.164 38.000 0.120 0.000 1.245 275 I HN 0.500 nan 8.210 nan 0.000 0.434 276 I N 5.288 125.984 120.570 0.209 0.000 2.512 276 I HA 0.238 4.407 4.170 -0.001 0.000 0.287 276 I C 0.340 176.636 176.117 0.299 0.000 1.069 276 I CA -0.471 60.972 61.300 0.238 0.000 1.056 276 I CB 2.541 40.673 38.000 0.220 0.000 1.229 276 I HN 0.577 nan 8.210 nan 0.000 0.429 277 T N 3.187 117.942 114.554 0.334 0.000 2.922 277 T HA 0.771 5.120 4.350 -0.001 0.000 0.285 277 T C -0.627 174.255 174.700 0.303 0.000 1.005 277 T CA -0.450 61.871 62.100 0.370 0.000 1.061 277 T CB 1.481 70.643 68.868 0.491 0.000 1.007 277 T HN 0.411 nan 8.240 nan 0.000 0.502 278 F N -0.458 119.405 119.950 -0.144 0.000 2.608 278 F HA 0.866 5.392 4.527 -0.001 0.000 0.309 278 F C -0.306 175.170 175.800 -0.541 0.000 1.103 278 F CA -0.866 56.956 58.000 -0.297 0.000 0.954 278 F CB 0.982 39.936 39.000 -0.076 0.000 1.267 278 F HN 0.902 nan 8.300 nan 0.000 0.444 279 A N 1.789 124.363 122.820 -0.409 0.000 2.043 279 A HA 0.418 4.737 4.320 -0.001 0.000 0.183 279 A C 1.228 178.848 177.584 0.061 0.000 1.568 279 A CA 0.480 52.384 52.037 -0.221 0.000 1.796 279 A CB -0.407 18.379 19.000 -0.357 0.000 1.908 279 A HN 0.692 nan 8.150 nan 0.000 0.851 280 S N 0.460 116.191 115.700 0.051 0.000 2.399 280 S HA 0.287 4.757 4.470 -0.001 0.000 0.231 280 S C 0.853 175.525 174.600 0.120 0.000 1.022 280 S CA 1.617 59.871 58.200 0.091 0.000 0.983 280 S CB -0.224 63.020 63.200 0.074 0.000 0.803 280 S HN 1.129 nan 8.310 nan 0.000 0.480 281 E N 1.036 121.326 120.200 0.150 0.000 2.408 281 E HA 0.601 4.951 4.350 -0.001 0.000 0.275 281 E C -3.390 173.344 176.600 0.223 0.000 0.935 281 E CA -2.509 53.987 56.400 0.159 0.000 0.775 281 E CB 0.665 30.449 29.700 0.141 0.000 1.277 281 E HN 0.031 nan 8.360 nan 0.000 0.455 282 P HA 0.339 nan 4.420 nan 0.000 0.280 282 P C -1.001 176.451 177.300 0.254 0.000 1.244 282 P CA -0.188 63.051 63.100 0.231 0.000 0.784 282 P CB 0.930 32.702 31.700 0.121 0.000 0.913 283 K N 2.741 123.330 120.400 0.315 0.000 2.483 283 K HA 0.308 4.628 4.320 -0.001 0.000 0.256 283 K C -0.949 175.765 176.600 0.189 0.000 0.961 283 K CA -0.819 55.599 56.287 0.217 0.000 0.873 283 K CB 1.193 33.791 32.500 0.163 0.000 1.107 283 K HN 0.181 nan 8.250 nan 0.000 0.432 284 V N 7.021 127.020 119.914 0.143 0.000 2.415 284 V HA 0.029 4.149 4.120 -0.001 0.000 0.267 284 V C 1.227 177.390 176.094 0.116 0.000 1.042 284 V CA 0.165 62.545 62.300 0.133 0.000 1.000 284 V CB 0.520 32.411 31.823 0.114 0.000 1.015 284 V HN 0.817 nan 8.190 nan 0.000 0.478 285 L N 3.983 125.283 121.223 0.127 0.000 2.416 285 L HA 0.362 4.701 4.340 -0.001 0.000 0.216 285 L C 0.488 177.414 176.870 0.093 0.000 1.098 285 L CA 0.598 55.503 54.840 0.108 0.000 0.840 285 L CB 0.159 42.292 42.059 0.123 0.000 0.981 285 L HN 0.629 nan 8.230 nan 0.000 0.462 286 M N -0.853 118.809 119.600 0.103 0.000 2.426 286 M HA 0.367 4.846 4.480 -0.001 0.000 0.289 286 M C -1.409 174.955 176.300 0.108 0.000 1.168 286 M CA -0.289 55.067 55.300 0.094 0.000 0.933 286 M CB 2.161 34.813 32.600 0.087 0.000 1.750 286 M HN -0.202 nan 8.290 nan 0.000 0.494 287 S N 2.446 118.205 115.700 0.099 0.000 2.521 287 S HA 0.606 5.075 4.470 -0.001 0.000 0.295 287 S C 0.759 175.419 174.600 0.100 0.000 1.098 287 S CA -0.244 58.025 58.200 0.114 0.000 0.999 287 S CB 1.338 64.599 63.200 0.103 0.000 1.034 287 S HN 1.465 nan 8.310 nan 0.000 0.483 288 V N 4.021 123.999 119.914 0.106 0.000 2.828 288 V HA -0.041 4.078 4.120 -0.001 0.000 0.260 288 V C 1.548 177.705 176.094 0.104 0.000 1.101 288 V CA 1.223 63.578 62.300 0.091 0.000 1.123 288 V CB -0.928 30.946 31.823 0.084 0.000 0.704 288 V HN 0.786 nan 8.190 nan 0.000 0.493 289 L N 0.535 121.820 121.223 0.104 0.000 2.313 289 L HA 0.160 4.499 4.340 -0.001 0.000 0.214 289 L C 1.367 178.275 176.870 0.063 0.000 1.119 289 L CA 0.964 55.852 54.840 0.080 0.000 0.809 289 L CB -1.463 40.638 42.059 0.069 0.000 0.933 289 L HN 0.610 nan 8.230 nan 0.000 0.449 290 N N 0.660 119.399 118.700 0.066 0.000 2.488 290 N HA -0.060 4.679 4.740 -0.001 0.000 0.274 290 N C 0.442 175.991 175.510 0.064 0.000 1.111 290 N CA -0.364 52.722 53.050 0.059 0.000 0.974 290 N CB 1.286 39.808 38.487 0.059 0.000 1.089 290 N HN -0.036 nan 8.380 nan 0.000 0.465 291 D N 2.251 122.684 120.400 0.055 0.000 2.190 291 D HA -0.150 4.490 4.640 -0.001 0.000 0.200 291 D C 0.940 177.282 176.300 0.070 0.000 0.992 291 D CA 1.263 55.299 54.000 0.060 0.000 0.854 291 D CB -0.007 40.821 40.800 0.047 0.000 0.936 291 D HN 0.550 nan 8.370 nan 0.000 0.462 292 N N -0.334 118.402 118.700 0.059 0.000 2.520 292 N HA -0.089 4.650 4.740 -0.001 0.000 0.185 292 N C 1.448 177.002 175.510 0.073 0.000 1.068 292 N CA 0.617 53.699 53.050 0.053 0.000 0.911 292 N CB -0.165 38.346 38.487 0.040 0.000 0.961 292 N HN 0.151 nan 8.380 nan 0.000 0.446 293 S N -0.375 115.382 115.700 0.096 0.000 2.515 293 S HA 0.046 4.515 4.470 -0.001 0.000 0.231 293 S C 1.545 176.269 174.600 0.206 0.000 0.987 293 S CA 0.343 58.619 58.200 0.127 0.000 0.936 293 S CB 0.067 63.329 63.200 0.103 0.000 0.766 293 S HN 0.212 nan 8.310 nan 0.000 0.528 294 R N 0.753 121.375 120.500 0.203 0.000 2.334 294 R HA 0.244 4.583 4.340 -0.001 0.000 0.216 294 R C -0.378 176.095 176.300 0.289 0.000 0.905 294 R CA 0.221 56.486 56.100 0.274 0.000 1.064 294 R CB 0.051 30.477 30.300 0.210 0.000 1.046 294 R HN 0.398 nan 8.270 nan 0.000 0.508 295 D N 0.910 121.388 120.400 0.129 0.000 2.381 295 D HA 0.053 4.692 4.640 -0.001 0.000 0.235 295 D C 0.620 176.763 176.300 -0.260 0.000 1.068 295 D CA -0.272 53.702 54.000 -0.042 0.000 0.832 295 D CB 1.436 42.225 40.800 -0.017 0.000 1.101 295 D HN -0.106 nan 8.370 nan 0.000 0.515 296 M N 3.025 122.239 119.600 -0.642 0.000 2.319 296 M HA -0.123 4.356 4.480 -0.001 0.000 0.265 296 M C 0.731 176.781 176.300 -0.416 0.000 1.068 296 M CA 1.344 56.043 55.300 -1.001 0.000 1.118 296 M CB 0.244 32.005 32.600 -1.400 0.000 1.395 296 M HN 0.268 nan 8.290 nan 0.000 0.435 297 T N 0.573 114.976 114.554 -0.251 0.000 2.812 297 T HA -0.058 4.292 4.350 -0.001 0.000 0.264 297 T C 1.613 176.256 174.700 -0.097 0.000 1.042 297 T CA 1.178 63.192 62.100 -0.143 0.000 1.140 297 T CB -0.211 68.600 68.868 -0.095 0.000 0.870 297 T HN 0.409 nan 8.240 nan 0.000 0.445 298 E N 1.067 121.218 120.200 -0.082 0.000 2.077 298 E HA -0.071 4.279 4.350 -0.001 0.000 0.193 298 E C 2.517 179.105 176.600 -0.020 0.000 0.989 298 E CA 0.678 57.057 56.400 -0.035 0.000 0.800 298 E CB -0.753 28.938 29.700 -0.014 0.000 0.746 298 E HN 0.309 nan 8.360 nan 0.000 0.452 299 V N 1.906 121.798 119.914 -0.037 0.000 2.261 299 V HA -0.244 3.875 4.120 -0.001 0.000 0.246 299 V C 2.417 178.511 176.094 0.001 0.000 1.047 299 V CA 1.355 63.660 62.300 0.008 0.000 1.015 299 V CB -0.401 31.456 31.823 0.057 0.000 0.642 299 V HN 0.206 nan 8.190 nan 0.000 0.446 300 I N 0.382 120.926 120.570 -0.042 0.000 2.286 300 I HA -0.195 3.975 4.170 -0.001 0.000 0.248 300 I C 2.727 178.837 176.117 -0.011 0.000 1.115 300 I CA 2.179 63.463 61.300 -0.026 0.000 1.392 300 I CB -1.259 36.708 38.000 -0.055 0.000 1.065 300 I HN 0.470 nan 8.210 nan 0.000 0.418 301 S N 0.613 116.303 115.700 -0.015 0.000 2.371 301 S HA -0.159 4.311 4.470 -0.001 0.000 0.224 301 S C 2.397 177.009 174.600 0.020 0.000 1.029 301 S CA 1.877 60.077 58.200 -0.001 0.000 0.978 301 S CB -0.368 62.827 63.200 -0.008 0.000 0.833 301 S HN 0.570 nan 8.310 nan 0.000 0.466 302 S N 1.470 117.186 115.700 0.026 0.000 2.387 302 S HA -0.096 4.374 4.470 -0.001 0.000 0.230 302 S C 1.988 176.626 174.600 0.063 0.000 1.035 302 S CA 1.349 59.578 58.200 0.048 0.000 1.014 302 S CB -0.944 62.289 63.200 0.055 0.000 0.836 302 S HN 0.597 nan 8.310 nan 0.000 0.466 303 L N 1.012 122.268 121.223 0.054 0.000 2.027 303 L HA -0.075 4.264 4.340 -0.001 0.000 0.206 303 L C 2.936 179.837 176.870 0.051 0.000 1.074 303 L CA 2.415 57.288 54.840 0.055 0.000 0.745 303 L CB -0.596 41.484 42.059 0.035 0.000 0.898 303 L HN 0.461 nan 8.230 nan 0.000 0.433 304 E N 0.442 120.663 120.200 0.034 0.000 2.204 304 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 304 E C 1.380 178.015 176.600 0.058 0.000 0.989 304 E CA 1.119 57.538 56.400 0.032 0.000 0.824 304 E CB -0.245 29.462 29.700 0.011 0.000 0.756 304 E HN 0.400 nan 8.360 nan 0.000 0.477 305 N N 0.879 119.616 118.700 0.062 0.000 2.485 305 N HA 0.062 4.801 4.740 -0.001 0.000 0.199 305 N C -0.698 174.879 175.510 0.112 0.000 1.236 305 N CA 0.752 53.847 53.050 0.075 0.000 0.852 305 N CB 0.126 38.645 38.487 0.054 0.000 1.018 305 N HN 0.191 nan 8.380 nan 0.000 0.457 306 A N 0.954 123.870 122.820 0.160 0.000 2.347 306 A HA 0.216 4.535 4.320 -0.001 0.000 0.287 306 A C 0.237 178.026 177.584 0.341 0.000 1.199 306 A CA -0.392 51.801 52.037 0.261 0.000 0.851 306 A CB 0.194 19.387 19.000 0.322 0.000 1.118 306 A HN 0.053 nan 8.150 nan 0.000 0.525 307 N N 1.762 120.604 118.700 0.237 0.000 2.424 307 N HA 0.152 4.892 4.740 -0.001 0.000 0.271 307 N C 0.577 176.105 175.510 0.031 0.000 0.985 307 N CA -0.494 52.664 53.050 0.180 0.000 0.921 307 N CB 0.674 39.211 38.487 0.083 0.000 1.149 307 N HN 0.633 nan 8.380 nan 0.000 0.492 308 Y N 4.028 124.145 120.300 -0.305 0.000 2.181 308 Y HA -0.235 4.314 4.550 -0.001 0.000 0.284 308 Y C 1.348 177.095 175.900 -0.255 0.000 1.179 308 Y CA 1.965 59.671 58.100 -0.655 0.000 1.179 308 Y CB 0.315 38.426 38.460 -0.582 0.000 0.973 308 Y HN 0.539 nan 8.280 nan 0.000 0.519 309 K N -0.282 120.106 120.400 -0.020 0.000 2.486 309 K HA -0.088 4.231 4.320 -0.001 0.000 0.194 309 K C 1.167 177.692 176.600 -0.126 0.000 1.033 309 K CA 0.723 56.986 56.287 -0.039 0.000 1.004 309 K CB 0.013 32.543 32.500 0.051 0.000 0.798 309 K HN 0.299 nan 8.250 nan 0.000 0.495 310 D N 0.676 120.967 120.400 -0.182 0.000 2.263 310 D HA -0.108 4.532 4.640 -0.001 0.000 0.208 310 D C 0.697 176.733 176.300 -0.441 0.000 0.971 310 D CA 1.217 55.050 54.000 -0.277 0.000 0.867 310 D CB 0.010 40.620 40.800 -0.318 0.000 0.929 310 D HN 0.374 nan 8.370 nan 0.000 0.492 311 H N -0.400 118.541 119.070 -0.214 0.000 2.537 311 H HA 0.108 4.664 4.556 -0.000 0.000 0.295 311 H C 1.558 176.755 175.328 -0.218 0.000 1.054 311 H CA -0.068 55.843 56.048 -0.227 0.000 1.156 311 H CB 0.264 29.831 29.762 -0.326 0.000 1.468 311 H HN 0.295 nan 8.280 nan 0.000 0.551 312 E N 0.417 120.550 120.200 -0.110 0.000 2.204 312 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 312 E C 0.777 177.358 176.600 -0.032 0.000 0.989 312 E CA 0.896 57.255 56.400 -0.068 0.000 0.824 312 E CB 0.064 29.741 29.700 -0.038 0.000 0.756 312 E HN 0.316 nan 8.360 nan 0.000 0.477 313 N N 0.859 119.542 118.700 -0.028 0.000 2.412 313 N HA 0.076 4.816 4.740 -0.001 0.000 0.184 313 N C 0.003 175.518 175.510 0.008 0.000 1.101 313 N CA 0.996 54.041 53.050 -0.008 0.000 0.881 313 N CB 1.209 39.690 38.487 -0.010 0.000 0.969 313 N HN 0.273 nan 8.380 nan 0.000 0.459 314 G N -0.202 108.609 108.800 0.017 0.000 2.378 314 G HA2 0.248 4.208 3.960 -0.001 0.000 0.291 314 G HA3 0.248 4.208 3.960 -0.001 0.000 0.291 314 G C 0.212 175.125 174.900 0.023 0.000 1.421 314 G CA -0.485 44.635 45.100 0.034 0.000 1.154 314 G HN 0.084 nan 8.290 nan 0.000 0.590 315 T N -0.655 113.899 114.554 -0.001 0.000 3.054 315 T HA 0.372 4.721 4.350 -0.001 0.000 0.255 315 T C 1.441 176.133 174.700 -0.014 0.000 1.035 315 T CA 0.337 62.416 62.100 -0.034 0.000 0.941 315 T CB 0.886 69.743 68.868 -0.018 0.000 1.026 315 T HN 0.710 nan 8.240 nan 0.000 0.533 316 G N 1.240 110.049 108.800 0.015 0.000 2.750 316 G HA2 0.376 4.335 3.960 -0.001 0.000 0.250 316 G HA3 0.376 4.335 3.960 -0.001 0.000 0.250 316 G C -0.482 174.447 174.900 0.049 0.000 1.230 316 G CA -0.304 44.818 45.100 0.038 0.000 0.883 316 G HN 0.303 nan 8.290 nan 0.000 0.573 317 T N 1.217 115.824 114.554 0.088 0.000 3.053 317 T HA 0.192 4.541 4.350 -0.001 0.000 0.363 317 T C 0.199 175.018 174.700 0.198 0.000 1.239 317 T CA -0.486 61.710 62.100 0.160 0.000 1.071 317 T CB 0.341 69.301 68.868 0.153 0.000 1.089 317 T HN 0.447 nan 8.240 nan 0.000 0.527 318 N N 2.219 121.059 118.700 0.232 0.000 2.918 318 N HA 0.125 4.865 4.740 -0.001 0.000 0.247 318 N C 1.170 176.715 175.510 0.059 0.000 1.117 318 N CA -0.275 52.868 53.050 0.155 0.000 1.005 318 N CB 0.538 39.108 38.487 0.137 0.000 1.297 318 N HN 0.344 nan 8.380 nan 0.000 0.513 319 T N 0.823 115.387 114.554 0.016 0.000 2.867 319 T HA -0.156 4.194 4.350 -0.001 0.000 0.268 319 T C 1.477 176.036 174.700 -0.235 0.000 1.057 319 T CA 0.930 62.895 62.100 -0.224 0.000 1.136 319 T CB -0.324 68.480 68.868 -0.107 0.000 0.874 319 T HN 0.622 nan 8.240 nan 0.000 0.466 320 Y N 2.324 122.542 120.300 -0.136 0.000 2.114 320 Y HA -0.075 4.474 4.550 -0.002 0.000 0.284 320 Y C 2.556 178.389 175.900 -0.110 0.000 1.143 320 Y CA 1.208 59.238 58.100 -0.117 0.000 1.135 320 Y CB -0.643 37.770 38.460 -0.078 0.000 0.980 320 Y HN 0.168 nan 8.280 nan 0.000 0.499 321 A N 0.713 123.402 122.820 -0.219 0.000 1.972 321 A HA -0.080 4.240 4.320 -0.001 0.000 0.219 321 A C 2.383 179.809 177.584 -0.264 0.000 1.169 321 A CA 1.658 53.562 52.037 -0.221 0.000 0.635 321 A CB -1.465 17.559 19.000 0.041 0.000 0.810 321 A HN 0.672 nan 8.150 nan 0.000 0.446 322 A N -0.173 122.445 122.820 -0.336 0.000 1.902 322 A HA -0.050 4.269 4.320 -0.001 0.000 0.217 322 A C 2.115 179.503 177.584 -0.327 0.000 1.181 322 A CA 1.541 53.343 52.037 -0.392 0.000 0.623 322 A CB -0.565 17.832 19.000 -1.005 0.000 0.818 322 A HN 0.469 nan 8.150 nan 0.000 0.443 323 L N -0.637 120.354 121.223 -0.387 0.000 2.217 323 L HA -0.110 4.230 4.340 -0.001 0.000 0.211 323 L C 2.339 179.052 176.870 -0.261 0.000 1.107 323 L CA 1.322 55.984 54.840 -0.297 0.000 0.783 323 L CB -0.431 41.457 42.059 -0.284 0.000 0.919 323 L HN 0.552 nan 8.230 nan 0.000 0.442 324 N N -0.781 117.681 118.700 -0.396 0.000 2.331 324 N HA -0.174 4.565 4.740 -0.001 0.000 0.180 324 N C 1.969 177.446 175.510 -0.055 0.000 1.019 324 N CA 1.001 53.899 53.050 -0.252 0.000 0.881 324 N CB 0.090 38.288 38.487 -0.481 0.000 0.972 324 N HN 0.031 nan 8.380 nan 0.000 0.435 325 S N -1.071 114.573 115.700 -0.094 0.000 2.400 325 S HA -0.075 4.394 4.470 -0.001 0.000 0.232 325 S C 1.680 176.274 174.600 -0.011 0.000 1.025 325 S CA 1.160 59.348 58.200 -0.020 0.000 0.993 325 S CB -0.293 62.906 63.200 -0.001 0.000 0.808 325 S HN 0.239 nan 8.310 nan 0.000 0.478 326 V N 0.346 120.221 119.914 -0.064 0.000 2.407 326 V HA -0.044 4.075 4.120 -0.001 0.000 0.245 326 V C 1.876 177.884 176.094 -0.143 0.000 1.041 326 V CA 1.685 63.894 62.300 -0.151 0.000 1.040 326 V CB -0.837 30.792 31.823 -0.323 0.000 0.671 326 V HN 0.666 nan 8.190 nan 0.000 0.455 327 Y N 1.001 121.206 120.300 -0.158 0.000 2.102 327 Y HA -0.298 4.252 4.550 -0.001 0.000 0.280 327 Y C 2.150 178.016 175.900 -0.057 0.000 1.178 327 Y CA 1.964 60.006 58.100 -0.098 0.000 1.146 327 Y CB -0.339 38.083 38.460 -0.063 0.000 0.968 327 Y HN 0.168 nan 8.280 nan 0.000 0.504 328 L N -0.660 120.473 121.223 -0.149 0.000 2.056 328 L HA -0.244 4.095 4.340 -0.001 0.000 0.207 328 L C 2.738 179.517 176.870 -0.151 0.000 1.078 328 L CA 1.685 56.423 54.840 -0.169 0.000 0.749 328 L CB -0.607 41.450 42.059 -0.003 0.000 0.901 328 L HN 0.345 nan 8.230 nan 0.000 0.433 329 M N -0.358 119.209 119.600 -0.055 0.000 2.082 329 M HA -0.294 4.186 4.480 -0.001 0.000 0.258 329 M C 2.399 178.713 176.300 0.022 0.000 1.069 329 M CA 2.001 57.319 55.300 0.030 0.000 1.102 329 M CB -0.037 32.653 32.600 0.150 0.000 1.336 329 M HN 0.209 nan 8.290 nan 0.000 0.404 330 M N -0.651 118.924 119.600 -0.042 0.000 2.117 330 M HA -0.215 4.264 4.480 -0.001 0.000 0.262 330 M C 1.800 177.952 176.300 -0.248 0.000 1.065 330 M CA 1.837 57.145 55.300 0.013 0.000 1.114 330 M CB -0.768 31.802 32.600 -0.049 0.000 1.361 330 M HN 0.382 nan 8.290 nan 0.000 0.408 331 N N 0.811 119.244 118.700 -0.445 0.000 2.084 331 N HA -0.144 4.596 4.740 -0.001 0.000 0.190 331 N C 1.169 176.483 175.510 -0.327 0.000 1.030 331 N CA 1.734 54.507 53.050 -0.461 0.000 0.849 331 N CB -0.191 37.975 38.487 -0.535 0.000 1.012 331 N HN 0.348 nan 8.380 nan 0.000 0.423 332 N N -0.642 117.926 118.700 -0.221 0.000 2.205 332 N HA -0.195 4.545 4.740 -0.001 0.000 0.186 332 N C 1.643 177.065 175.510 -0.146 0.000 1.015 332 N CA 0.806 53.770 53.050 -0.143 0.000 0.862 332 N CB -0.073 38.374 38.487 -0.068 0.000 0.986 332 N HN 0.438 nan 8.380 nan 0.000 0.429 333 Q N 0.564 120.277 119.800 -0.145 0.000 2.089 333 Q HA -0.000 4.339 4.340 -0.001 0.000 0.195 333 Q C 2.140 177.947 176.000 -0.322 0.000 0.963 333 Q CA 0.616 56.378 55.803 -0.068 0.000 0.834 333 Q CB 0.072 28.946 28.738 0.227 0.000 0.906 333 Q HN 0.326 nan 8.270 nan 0.000 0.452 334 M N 0.198 119.263 119.600 -0.892 0.000 2.195 334 M HA -0.249 4.230 4.480 -0.001 0.000 0.260 334 M C 2.124 178.048 176.300 -0.626 0.000 1.066 334 M CA 1.535 56.003 55.300 -1.387 0.000 1.089 334 M CB 0.001 31.521 32.600 -1.800 0.000 1.377 334 M HN 0.083 nan 8.290 nan 0.000 0.411 335 R N 0.077 120.335 120.500 -0.404 0.000 2.062 335 R HA -0.138 4.201 4.340 -0.001 0.000 0.231 335 R C 2.260 178.464 176.300 -0.160 0.000 1.136 335 R CA 1.877 57.833 56.100 -0.240 0.000 0.948 335 R CB -0.773 29.416 30.300 -0.184 0.000 0.845 335 R HN 0.420 nan 8.270 nan 0.000 0.430 336 L N 0.078 121.225 121.223 -0.127 0.000 2.141 336 L HA 0.063 4.402 4.340 -0.001 0.000 0.209 336 L C 2.299 179.145 176.870 -0.040 0.000 1.094 336 L CA 1.732 56.534 54.840 -0.064 0.000 0.763 336 L CB -1.108 40.929 42.059 -0.036 0.000 0.908 336 L HN 0.282 nan 8.230 nan 0.000 0.437 337 L N -0.575 120.622 121.223 -0.043 0.000 2.253 337 L HA 0.494 4.833 4.340 -0.001 0.000 0.205 337 L C 1.331 178.205 176.870 0.007 0.000 1.078 337 L CA 0.631 55.485 54.840 0.023 0.000 0.805 337 L CB -0.344 41.799 42.059 0.141 0.000 0.963 337 L HN 0.640 nan 8.230 nan 0.000 0.459 338 G N 1.198 109.953 108.800 -0.077 0.000 3.338 338 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.686 338 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.686 338 G C 0.304 175.179 174.900 -0.041 0.000 1.053 338 G CA 0.015 45.072 45.100 -0.071 0.000 0.852 338 G HN 0.285 nan 8.290 nan 0.000 0.545 339 M N 0.874 120.402 119.600 -0.120 0.000 2.706 339 M HA 0.059 4.538 4.480 -0.001 0.000 0.251 339 M C 1.592 177.986 176.300 0.156 0.000 1.070 339 M CA 2.202 57.480 55.300 -0.037 0.000 1.073 339 M CB -0.154 32.381 32.600 -0.108 0.000 1.449 339 M HN 0.675 nan 8.290 nan 0.000 0.531 340 E N 1.135 121.395 120.200 0.101 0.000 2.330 340 E HA 0.036 4.385 4.350 -0.001 0.000 0.200 340 E C 0.619 177.277 176.600 0.097 0.000 0.922 340 E CA 0.850 57.301 56.400 0.084 0.000 0.935 340 E CB -0.576 29.148 29.700 0.041 0.000 0.917 340 E HN 0.512 nan 8.360 nan 0.000 0.491 341 T N -0.582 114.040 114.554 0.112 0.000 2.855 341 T HA 0.113 4.463 4.350 -0.001 0.000 0.314 341 T C 1.054 175.833 174.700 0.131 0.000 1.077 341 T CA -0.085 62.081 62.100 0.110 0.000 1.095 341 T CB 0.965 69.898 68.868 0.109 0.000 0.987 341 T HN 0.008 nan 8.240 nan 0.000 0.546 342 M N 2.224 121.877 119.600 0.089 0.000 2.288 342 M HA 0.234 4.713 4.480 -0.001 0.000 0.266 342 M C 2.384 178.727 176.300 0.071 0.000 1.072 342 M CA 1.448 56.789 55.300 0.068 0.000 1.132 342 M CB -1.352 31.278 32.600 0.049 0.000 1.386 342 M HN 0.934 nan 8.290 nan 0.000 0.432 343 A N -0.283 122.590 122.820 0.088 0.000 1.997 343 A HA -0.261 4.058 4.320 -0.001 0.000 0.221 343 A C 2.189 179.858 177.584 0.143 0.000 1.172 343 A CA 2.064 54.154 52.037 0.087 0.000 0.645 343 A CB -1.383 17.671 19.000 0.091 0.000 0.813 343 A HN 0.870 nan 8.150 nan 0.000 0.454 344 W N -0.744 120.573 121.300 0.029 0.000 2.640 344 W HA 0.028 4.688 4.660 -0.001 0.000 0.271 344 W C 1.570 178.144 176.519 0.092 0.000 1.218 344 W CA 0.944 58.321 57.345 0.054 0.000 1.382 344 W CB -0.049 29.433 29.460 0.037 0.000 1.067 344 W HN 0.378 nan 8.180 nan 0.000 0.590 345 Q N 0.932 120.628 119.800 -0.174 0.000 2.331 345 Q HA -0.125 4.215 4.340 -0.001 0.000 0.203 345 Q C 1.854 177.772 176.000 -0.137 0.000 0.944 345 Q CA 1.436 57.082 55.803 -0.261 0.000 0.892 345 Q CB -0.058 28.649 28.738 -0.052 0.000 0.983 345 Q HN 0.622 nan 8.270 nan 0.000 0.482 346 E N 0.558 120.741 120.200 -0.029 0.000 2.435 346 E HA 0.013 4.362 4.350 -0.001 0.000 0.195 346 E C 0.347 176.987 176.600 0.066 0.000 1.029 346 E CA -0.049 56.405 56.400 0.090 0.000 0.865 346 E CB -0.048 29.684 29.700 0.055 0.000 0.833 346 E HN 0.209 nan 8.360 nan 0.000 0.510 347 I N 2.540 123.063 120.570 -0.077 0.000 2.533 347 I HA 0.103 4.272 4.170 -0.001 0.000 0.284 347 I C 0.520 176.530 176.117 -0.179 0.000 1.109 347 I CA -0.006 61.185 61.300 -0.182 0.000 1.412 347 I CB 0.501 38.291 38.000 -0.351 0.000 1.396 347 I HN 0.003 nan 8.210 nan 0.000 0.543 348 R N 4.535 124.883 120.500 -0.253 0.000 2.668 348 R HA 0.622 4.962 4.340 -0.001 0.000 0.279 348 R C -1.136 174.993 176.300 -0.286 0.000 0.976 348 R CA -0.942 55.041 56.100 -0.194 0.000 0.978 348 R CB 1.536 31.662 30.300 -0.290 0.000 1.133 348 R HN 0.535 nan 8.270 nan 0.000 0.484 349 H N -0.414 118.711 119.070 0.092 0.000 2.667 349 H HA 0.545 5.101 4.556 -0.001 0.000 0.353 349 H C -1.205 174.258 175.328 0.224 0.000 1.072 349 H CA -0.500 55.686 56.048 0.230 0.000 1.214 349 H CB 2.224 32.133 29.762 0.244 0.000 1.600 349 H HN 0.699 nan 8.280 nan 0.000 0.527 350 A N 4.049 127.098 122.820 0.382 0.000 2.353 350 A HA 0.584 4.904 4.320 -0.001 0.000 0.299 350 A C -0.912 176.930 177.584 0.430 0.000 1.089 350 A CA -0.541 51.707 52.037 0.351 0.000 0.736 350 A CB 0.545 19.707 19.000 0.272 0.000 1.195 350 A HN 0.658 nan 8.150 nan 0.000 0.447 351 I N 2.784 123.576 120.570 0.369 0.000 2.412 351 I HA 0.468 4.637 4.170 -0.001 0.000 0.296 351 I C -0.636 175.679 176.117 0.330 0.000 0.987 351 I CA -0.467 61.025 61.300 0.321 0.000 1.180 351 I CB 1.698 39.788 38.000 0.151 0.000 1.340 351 I HN 0.495 nan 8.210 nan 0.000 0.455 352 I N 6.970 127.708 120.570 0.279 0.000 2.468 352 I HA 0.329 4.499 4.170 -0.001 0.000 0.285 352 I C -0.923 175.299 176.117 0.176 0.000 1.039 352 I CA -0.553 60.902 61.300 0.259 0.000 1.074 352 I CB 1.684 39.806 38.000 0.204 0.000 1.228 352 I HN 0.300 nan 8.210 nan 0.000 0.436 353 L N 6.975 128.293 121.223 0.157 0.000 2.289 353 L HA 0.487 4.827 4.340 -0.001 0.000 0.285 353 L C -0.486 176.414 176.870 0.050 0.000 1.049 353 L CA -0.225 54.688 54.840 0.122 0.000 0.804 353 L CB 1.213 43.331 42.059 0.099 0.000 1.195 353 L HN 0.428 nan 8.230 nan 0.000 0.428 354 L N 3.276 124.442 121.223 -0.096 0.000 2.294 354 L HA 0.706 5.046 4.340 -0.001 0.000 0.283 354 L C -0.075 176.317 176.870 -0.796 0.000 1.015 354 L CA -0.021 54.536 54.840 -0.472 0.000 0.831 354 L CB 1.645 43.331 42.059 -0.622 0.000 1.217 354 L HN 0.661 nan 8.230 nan 0.000 0.420 355 T N -0.887 113.404 114.554 -0.438 0.000 2.830 355 T HA 0.161 4.510 4.350 -0.001 0.000 0.322 355 T C -0.162 174.630 174.700 0.153 0.000 1.501 355 T CA -0.549 61.493 62.100 -0.097 0.000 1.036 355 T CB 1.391 70.358 68.868 0.165 0.000 1.379 355 T HN 0.667 nan 8.240 nan 0.000 0.493 356 D N 0.961 121.512 120.400 0.251 0.000 2.363 356 D HA 0.231 4.871 4.640 -0.001 0.000 0.220 356 D C 1.508 177.911 176.300 0.171 0.000 0.994 356 D CA 1.055 55.191 54.000 0.227 0.000 0.890 356 D CB -0.467 40.461 40.800 0.213 0.000 0.906 356 D HN 1.334 nan 8.370 nan 0.000 0.530 357 G N 0.440 109.337 108.800 0.161 0.000 2.149 357 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.235 357 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.235 357 G C 0.162 175.129 174.900 0.112 0.000 1.018 357 G CA 0.071 45.248 45.100 0.128 0.000 0.728 357 G HN 0.430 nan 8.290 nan 0.000 0.508 358 K N 1.581 122.057 120.400 0.127 0.000 2.778 358 K HA 0.349 4.668 4.320 -0.001 0.000 0.238 358 K C 1.092 177.753 176.600 0.102 0.000 1.233 358 K CA 0.354 56.702 56.287 0.102 0.000 1.195 358 K CB 0.428 32.986 32.500 0.098 0.000 1.743 358 K HN 0.592 nan 8.250 nan 0.000 0.418 359 S N 1.304 117.064 115.700 0.100 0.000 2.558 359 S HA -0.044 4.425 4.470 -0.001 0.000 0.291 359 S C 0.610 175.253 174.600 0.072 0.000 1.306 359 S CA 0.016 58.275 58.200 0.098 0.000 1.056 359 S CB 0.347 63.592 63.200 0.075 0.000 0.836 359 S HN 0.661 nan 8.310 nan 0.000 0.504 360 N N 1.312 120.056 118.700 0.073 0.000 2.142 360 N HA 0.209 4.948 4.740 -0.001 0.000 0.233 360 N C -0.357 175.180 175.510 0.045 0.000 1.335 360 N CA -0.097 52.985 53.050 0.053 0.000 0.837 360 N CB -0.024 38.495 38.487 0.053 0.000 1.238 360 N HN 0.909 nan 8.380 nan 0.000 0.501 361 M N -4.480 115.152 119.600 0.052 0.000 2.694 361 M HA 0.636 5.115 4.480 -0.001 0.000 0.276 361 M C -0.146 176.188 176.300 0.057 0.000 1.167 361 M CA -0.091 55.236 55.300 0.046 0.000 0.849 361 M CB 1.721 34.352 32.600 0.052 0.000 1.705 361 M HN 0.095 nan 8.290 nan 0.000 0.504 362 G N -0.127 108.696 108.800 0.039 0.000 2.213 362 G HA2 0.332 4.292 3.960 -0.001 0.000 0.236 362 G HA3 0.332 4.292 3.960 -0.001 0.000 0.236 362 G C 0.927 175.789 174.900 -0.064 0.000 0.991 362 G CA 0.299 45.431 45.100 0.055 0.000 0.629 362 G HN 2.787 nan 8.290 nan 0.000 0.517 363 G N -1.116 107.643 108.800 -0.068 0.000 2.655 363 G HA2 0.340 4.300 3.960 -0.001 0.000 0.680 363 G HA3 0.340 4.300 3.960 -0.001 0.000 0.680 363 G C 0.101 174.955 174.900 -0.076 0.000 1.302 363 G CA 0.806 45.822 45.100 -0.140 0.000 0.872 363 G HN 1.987 nan 8.290 nan 0.000 0.540 364 S N 0.534 116.176 115.700 -0.097 0.000 2.525 364 S HA 0.434 4.904 4.470 -0.001 0.000 0.285 364 S C -0.348 174.268 174.600 0.026 0.000 1.283 364 S CA 0.078 58.249 58.200 -0.048 0.000 1.072 364 S CB 0.904 64.061 63.200 -0.071 0.000 0.867 364 S HN 0.446 nan 8.310 nan 0.000 0.492 365 P HA -0.051 nan 4.420 nan 0.000 0.222 365 P C 1.186 178.500 177.300 0.023 0.000 1.147 365 P CA 0.681 63.835 63.100 0.091 0.000 0.790 365 P CB 0.095 31.786 31.700 -0.015 0.000 0.780 366 K N -0.294 120.087 120.400 -0.032 0.000 2.218 366 K HA -0.140 4.179 4.320 -0.001 0.000 0.205 366 K C 1.372 177.903 176.600 -0.115 0.000 1.046 366 K CA 1.548 57.789 56.287 -0.077 0.000 0.933 366 K CB -0.431 32.018 32.500 -0.084 0.000 0.728 366 K HN 0.070 nan 8.250 nan 0.000 0.454 367 T N 0.269 114.763 114.554 -0.101 0.000 2.821 367 T HA -0.061 4.289 4.350 -0.001 0.000 0.267 367 T C 1.790 176.284 174.700 -0.343 0.000 1.046 367 T CA 1.246 63.198 62.100 -0.247 0.000 1.139 367 T CB -0.130 68.606 68.868 -0.220 0.000 0.871 367 T HN 0.415 nan 8.240 nan 0.000 0.454 368 A N 0.769 123.561 122.820 -0.048 0.000 1.970 368 A HA 0.086 4.406 4.320 -0.001 0.000 0.216 368 A C 2.499 179.988 177.584 -0.158 0.000 1.170 368 A CA 0.711 52.647 52.037 -0.167 0.000 0.645 368 A CB -0.664 18.130 19.000 -0.343 0.000 0.816 368 A HN 0.347 nan 8.150 nan 0.000 0.447 369 V N 0.663 120.497 119.914 -0.133 0.000 2.358 369 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 369 V C 2.039 178.078 176.094 -0.091 0.000 1.047 369 V CA 2.221 64.459 62.300 -0.102 0.000 1.035 369 V CB -0.730 31.032 31.823 -0.101 0.000 0.658 369 V HN 0.462 nan 8.190 nan 0.000 0.452 370 D N -0.870 119.449 120.400 -0.136 0.000 2.144 370 D HA -0.128 4.511 4.640 -0.001 0.000 0.200 370 D C 2.059 178.330 176.300 -0.048 0.000 0.978 370 D CA 1.351 55.286 54.000 -0.108 0.000 0.833 370 D CB -0.339 40.379 40.800 -0.137 0.000 0.961 370 D HN 0.607 nan 8.370 nan 0.000 0.470 371 H N -0.060 118.929 119.070 -0.134 0.000 2.353 371 H HA -0.015 4.541 4.556 -0.000 0.000 0.300 371 H C 2.218 177.538 175.328 -0.013 0.000 1.090 371 H CA 0.494 56.402 56.048 -0.234 0.000 1.327 371 H CB 0.200 29.542 29.762 -0.699 0.000 1.383 371 H HN 0.102 nan 8.280 nan 0.000 0.508 372 I N 0.515 121.173 120.570 0.147 0.000 2.202 372 I HA -0.235 3.935 4.170 -0.001 0.000 0.242 372 I C 2.363 178.536 176.117 0.094 0.000 1.091 372 I CA 1.076 62.482 61.300 0.178 0.000 1.368 372 I CB -0.173 37.862 38.000 0.059 0.000 1.058 372 I HN 0.182 nan 8.210 nan 0.000 0.410 373 R N 0.405 120.930 120.500 0.042 0.000 2.139 373 R HA -0.247 4.093 4.340 -0.001 0.000 0.243 373 R C 2.183 178.516 176.300 0.054 0.000 1.145 373 R CA 1.765 57.882 56.100 0.029 0.000 0.976 373 R CB -0.355 29.945 30.300 -0.000 0.000 0.866 373 R HN 0.494 nan 8.270 nan 0.000 0.449 374 E N 0.979 121.228 120.200 0.081 0.000 2.051 374 E HA -0.124 4.225 4.350 -0.001 0.000 0.189 374 E C 1.960 178.632 176.600 0.120 0.000 0.979 374 E CA 0.610 57.063 56.400 0.089 0.000 0.803 374 E CB -0.001 29.756 29.700 0.094 0.000 0.761 374 E HN 0.282 nan 8.360 nan 0.000 0.451 375 I N 0.918 121.598 120.570 0.183 0.000 2.614 375 I HA -0.179 3.991 4.170 -0.001 0.000 0.258 375 I C 1.532 177.783 176.117 0.222 0.000 1.189 375 I CA 0.820 62.237 61.300 0.195 0.000 1.462 375 I CB 0.201 38.332 38.000 0.219 0.000 1.092 375 I HN 0.270 nan 8.210 nan 0.000 0.442 376 L N -0.209 121.105 121.223 0.151 0.000 2.640 376 L HA 0.095 4.434 4.340 -0.001 0.000 0.230 376 L C 0.810 177.708 176.870 0.047 0.000 1.123 376 L CA 0.106 55.007 54.840 0.100 0.000 0.900 376 L CB -0.386 41.679 42.059 0.009 0.000 1.146 376 L HN 0.367 nan 8.230 nan 0.000 0.484 377 N N 2.045 120.780 118.700 0.059 0.000 2.696 377 N HA -0.191 4.549 4.740 -0.001 0.000 0.256 377 N C -0.282 175.221 175.510 -0.011 0.000 1.031 377 N CA -0.268 52.794 53.050 0.021 0.000 0.730 377 N CB -0.287 38.209 38.487 0.014 0.000 0.894 377 N HN 0.112 nan 8.380 nan 0.000 0.544 378 I N 2.735 123.312 120.570 0.011 0.000 2.421 378 I HA 0.078 4.248 4.170 -0.001 0.000 0.291 378 I C 0.930 177.051 176.117 0.006 0.000 1.089 378 I CA 0.226 61.535 61.300 0.016 0.000 1.354 378 I CB -0.340 37.679 38.000 0.031 0.000 1.413 378 I HN 0.379 nan 8.210 nan 0.000 0.513 379 N N 4.681 123.382 118.700 0.002 0.000 2.966 379 N HA 0.256 4.995 4.740 -0.001 0.000 0.314 379 N C 0.353 175.871 175.510 0.013 0.000 1.397 379 N CA -0.811 52.240 53.050 0.002 0.000 0.776 379 N CB 1.397 39.880 38.487 -0.007 0.000 1.576 379 N HN 0.384 nan 8.380 nan 0.000 0.592 380 Q N -0.149 119.656 119.800 0.010 0.000 2.197 380 Q HA -0.148 4.192 4.340 -0.001 0.000 0.207 380 Q C 0.738 176.755 176.000 0.028 0.000 0.984 380 Q CA 1.960 57.772 55.803 0.015 0.000 0.869 380 Q CB 0.001 28.744 28.738 0.008 0.000 0.906 380 Q HN 0.470 nan 8.270 nan 0.000 0.426 381 K N -0.710 119.706 120.400 0.026 0.000 2.459 381 K HA 0.041 4.361 4.320 -0.001 0.000 0.193 381 K C 0.805 177.452 176.600 0.078 0.000 1.030 381 K CA 0.535 56.845 56.287 0.039 0.000 1.026 381 K CB 0.391 32.902 32.500 0.018 0.000 0.809 381 K HN 0.012 nan 8.250 nan 0.000 0.504 382 R N -0.161 120.387 120.500 0.080 0.000 2.629 382 R HA 0.186 4.526 4.340 -0.001 0.000 0.408 382 R C 0.590 177.030 176.300 0.234 0.000 1.057 382 R CA -0.147 56.051 56.100 0.163 0.000 1.119 382 R CB 0.184 30.440 30.300 -0.072 0.000 1.403 382 R HN 0.052 nan 8.270 nan 0.000 0.576 383 N N 1.549 120.332 118.700 0.138 0.000 2.192 383 N HA -0.180 4.560 4.740 -0.001 0.000 0.188 383 N C 0.816 176.386 175.510 0.100 0.000 1.013 383 N CA 1.520 54.624 53.050 0.091 0.000 0.863 383 N CB 0.102 38.615 38.487 0.043 0.000 0.990 383 N HN 0.149 nan 8.380 nan 0.000 0.430 384 D N -1.449 119.017 120.400 0.110 0.000 2.317 384 D HA -0.051 4.589 4.640 -0.001 0.000 0.211 384 D C 0.824 177.058 176.300 -0.111 0.000 0.966 384 D CA 0.534 54.516 54.000 -0.030 0.000 0.876 384 D CB -0.193 40.514 40.800 -0.156 0.000 0.927 384 D HN 0.431 nan 8.370 nan 0.000 0.519 385 Y N -0.131 120.182 120.300 0.021 0.000 2.578 385 Y HA 0.203 4.752 4.550 -0.002 0.000 0.297 385 Y C 0.499 176.461 175.900 0.104 0.000 1.176 385 Y CA 0.026 58.152 58.100 0.044 0.000 1.315 385 Y CB 0.229 38.704 38.460 0.025 0.000 1.031 385 Y HN -0.117 nan 8.280 nan 0.000 0.524 386 L N 0.113 121.442 121.223 0.176 0.000 2.562 386 L HA 0.475 4.815 4.340 -0.001 0.000 0.266 386 L C -1.965 174.959 176.870 0.090 0.000 0.949 386 L CA -0.624 54.306 54.840 0.150 0.000 0.879 386 L CB 1.874 43.993 42.059 0.099 0.000 1.278 386 L HN -0.163 nan 8.230 nan 0.000 0.404 387 D N 5.091 125.572 120.400 0.135 0.000 2.646 387 D HA 0.656 5.296 4.640 -0.001 0.000 0.245 387 D C -0.855 175.501 176.300 0.092 0.000 1.099 387 D CA -0.014 54.049 54.000 0.106 0.000 0.849 387 D CB 2.411 43.403 40.800 0.321 0.000 1.448 387 D HN 0.443 nan 8.370 nan 0.000 0.489 388 I N 2.515 123.034 120.570 -0.086 0.000 2.418 388 I HA 0.328 4.498 4.170 -0.001 0.000 0.287 388 I C -1.017 175.064 176.117 -0.060 0.000 1.008 388 I CA -0.825 60.468 61.300 -0.011 0.000 1.104 388 I CB 0.914 38.871 38.000 -0.072 0.000 1.264 388 I HN 0.271 nan 8.210 nan 0.000 0.438 389 Y N 4.235 124.666 120.300 0.218 0.000 2.409 389 Y HA 0.690 5.240 4.550 0.001 0.000 0.339 389 Y C 0.313 176.304 175.900 0.152 0.000 1.033 389 Y CA -0.884 57.354 58.100 0.231 0.000 1.094 389 Y CB 2.034 40.662 38.460 0.279 0.000 1.210 389 Y HN 0.579 nan 8.280 nan 0.000 0.456 390 A N 4.781 127.759 122.820 0.264 0.000 2.310 390 A HA 0.782 5.102 4.320 -0.001 0.000 0.304 390 A C -1.097 176.628 177.584 0.234 0.000 1.231 390 A CA -0.532 51.608 52.037 0.173 0.000 0.799 390 A CB 0.030 19.061 19.000 0.051 0.000 1.162 390 A HN 0.757 nan 8.150 nan 0.000 0.486 391 I N 2.503 123.211 120.570 0.229 0.000 2.439 391 I HA 0.439 4.608 4.170 -0.001 0.000 0.285 391 I C 0.656 176.899 176.117 0.211 0.000 1.021 391 I CA -0.560 60.910 61.300 0.284 0.000 1.091 391 I CB 2.346 40.526 38.000 0.300 0.000 1.242 391 I HN 0.687 nan 8.210 nan 0.000 0.439 392 G N 5.770 114.730 108.800 0.266 0.000 2.475 392 G HA2 0.463 4.423 3.960 -0.001 0.000 0.322 392 G HA3 0.463 4.423 3.960 -0.001 0.000 0.322 392 G C -0.875 174.203 174.900 0.297 0.000 1.044 392 G CA -0.321 44.945 45.100 0.278 0.000 1.047 392 G HN 0.397 nan 8.290 nan 0.000 0.436 393 V N 3.703 123.839 119.914 0.370 0.000 2.409 393 V HA 0.949 5.068 4.120 -0.001 0.000 0.291 393 V C 0.457 176.688 176.094 0.229 0.000 1.020 393 V CA 1.053 63.523 62.300 0.284 0.000 0.848 393 V CB 0.860 32.826 31.823 0.238 0.000 0.990 393 V HN 1.804 nan 8.190 nan 0.000 0.430 394 G N 3.893 112.771 108.800 0.130 0.000 2.331 394 G HA2 0.306 4.266 3.960 -0.001 0.000 0.479 394 G HA3 0.306 4.266 3.960 -0.001 0.000 0.479 394 G C 0.288 175.216 174.900 0.047 0.000 1.262 394 G CA 0.231 45.362 45.100 0.052 0.000 1.029 394 G HN 1.404 nan 8.290 nan 0.000 0.487 395 K N -0.012 120.395 120.400 0.012 0.000 2.000 395 K HA 0.239 4.558 4.320 -0.001 0.000 0.218 395 K C 2.099 178.719 176.600 0.033 0.000 1.053 395 K CA 2.463 58.758 56.287 0.014 0.000 0.946 395 K CB -1.525 nan 32.500 nan 0.000 0.723 395 K HN 2.169 nan 8.250 nan 0.000 0.446 396 L N 0.304 121.546 121.223 0.032 0.000 2.677 396 L HA -0.021 4.319 4.340 -0.001 0.000 0.320 396 L C -0.137 176.782 176.870 0.081 0.000 1.275 396 L CA 0.146 55.019 54.840 0.055 0.000 0.854 396 L CB -0.245 41.855 42.059 0.068 0.000 1.086 396 L HN 0.526 nan 8.230 nan 0.000 0.533 397 D N 1.945 122.393 120.400 0.080 0.000 2.348 397 D HA 0.424 5.064 4.640 -0.001 0.000 0.253 397 D C -0.645 175.725 176.300 0.117 0.000 1.161 397 D CA -0.206 53.846 54.000 0.087 0.000 0.876 397 D CB 1.282 42.125 40.800 0.071 0.000 1.160 397 D HN 0.451 nan 8.370 nan 0.000 0.459 398 V N 4.086 124.081 119.914 0.135 0.000 2.448 398 V HA 0.158 4.278 4.120 -0.001 0.000 0.295 398 V C -0.000 176.201 176.094 0.178 0.000 1.025 398 V CA -0.988 61.414 62.300 0.170 0.000 0.859 398 V CB 1.684 33.634 31.823 0.212 0.000 0.988 398 V HN 0.559 nan 8.190 nan 0.000 0.431 399 D N 4.191 124.686 120.400 0.158 0.000 2.385 399 D HA -0.059 4.580 4.640 -0.001 0.000 0.260 399 D C 0.840 177.245 176.300 0.175 0.000 1.326 399 D CA 0.032 54.120 54.000 0.147 0.000 1.023 399 D CB 0.309 41.167 40.800 0.097 0.000 1.083 399 D HN 0.749 nan 8.370 nan 0.000 0.517 400 W N 5.207 126.531 121.300 0.040 0.000 2.402 400 W HA -0.133 4.524 4.660 -0.004 0.000 0.286 400 W C 1.540 178.068 176.519 0.014 0.000 1.221 400 W CA 0.340 57.702 57.345 0.029 0.000 1.257 400 W CB 0.108 29.582 29.460 0.024 0.000 1.120 400 W HN 0.417 nan 8.180 nan 0.000 0.551 401 R N 0.635 121.066 120.500 -0.115 0.000 2.092 401 R HA -0.203 4.136 4.340 -0.001 0.000 0.231 401 R C 2.178 178.349 176.300 -0.215 0.000 1.119 401 R CA 1.940 57.912 56.100 -0.214 0.000 0.970 401 R CB -0.368 29.900 30.300 -0.053 0.000 0.864 401 R HN 0.030 nan 8.270 nan 0.000 0.440 402 E N 0.854 120.983 120.200 -0.118 0.000 2.031 402 E HA -0.168 4.182 4.350 -0.001 0.000 0.193 402 E C 1.963 178.479 176.600 -0.141 0.000 0.994 402 E CA 1.415 57.761 56.400 -0.091 0.000 0.800 402 E CB -0.373 29.318 29.700 -0.015 0.000 0.752 402 E HN 0.298 nan 8.360 nan 0.000 0.447 403 L N 0.851 121.978 121.223 -0.160 0.000 1.997 403 L HA -0.268 4.071 4.340 -0.001 0.000 0.216 403 L C 2.677 179.348 176.870 -0.332 0.000 1.074 403 L CA 1.975 56.699 54.840 -0.194 0.000 0.763 403 L CB -0.801 41.166 42.059 -0.153 0.000 0.890 403 L HN 0.381 nan 8.230 nan 0.000 0.434 404 N N -0.132 118.212 118.700 -0.594 0.000 2.166 404 N HA -0.249 4.491 4.740 -0.001 0.000 0.186 404 N C 1.883 177.185 175.510 -0.346 0.000 1.019 404 N CA 1.333 54.012 53.050 -0.619 0.000 0.856 404 N CB 0.133 38.021 38.487 -0.997 0.000 0.993 404 N HN 0.438 nan 8.380 nan 0.000 0.426 405 E N 0.863 120.897 120.200 -0.277 0.000 2.152 405 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 405 E C 2.220 178.727 176.600 -0.154 0.000 0.983 405 E CA 0.292 56.581 56.400 -0.185 0.000 0.818 405 E CB -0.005 29.608 29.700 -0.146 0.000 0.758 405 E HN 0.360 nan 8.360 nan 0.000 0.467 406 L N 1.258 122.394 121.223 -0.144 0.000 1.971 406 L HA -0.101 4.239 4.340 -0.001 0.000 0.215 406 L C 1.765 178.557 176.870 -0.130 0.000 1.072 406 L CA 1.109 55.880 54.840 -0.115 0.000 0.758 406 L CB -1.058 40.954 42.059 -0.078 0.000 0.889 406 L HN 0.157 nan 8.230 nan 0.000 0.433 407 G N -0.620 108.091 108.800 -0.148 0.000 2.636 407 G HA2 0.187 4.147 3.960 -0.001 0.000 0.246 407 G HA3 0.187 4.147 3.960 -0.001 0.000 0.246 407 G C 0.004 174.745 174.900 -0.265 0.000 1.216 407 G CA -0.479 44.523 45.100 -0.163 0.000 0.854 407 G HN 0.189 nan 8.290 nan 0.000 0.572 408 S N -0.071 115.343 115.700 -0.476 0.000 2.572 408 S HA 0.188 4.657 4.470 -0.001 0.000 0.267 408 S C 0.209 174.518 174.600 -0.484 0.000 1.361 408 S CA 0.090 57.917 58.200 -0.621 0.000 1.009 408 S CB 0.631 63.185 63.200 -1.077 0.000 0.888 408 S HN 0.400 nan 8.310 nan 0.000 0.553 409 K N 2.658 122.862 120.400 -0.326 0.000 2.540 409 K HA 0.338 4.658 4.320 -0.001 0.000 0.218 409 K C -0.784 175.733 176.600 -0.138 0.000 1.017 409 K CA -0.168 56.009 56.287 -0.183 0.000 1.029 409 K CB 0.803 33.224 32.500 -0.131 0.000 1.348 409 K HN 0.478 nan 8.250 nan 0.000 0.508 410 K N 1.095 121.440 120.400 -0.091 0.000 2.270 410 K HA 0.311 4.631 4.320 -0.001 0.000 0.255 410 K C -0.728 175.889 176.600 0.029 0.000 0.936 410 K CA -1.027 55.249 56.287 -0.018 0.000 0.809 410 K CB 1.790 34.310 32.500 0.033 0.000 1.131 410 K HN 0.190 nan 8.250 nan 0.000 0.427 411 D N 1.013 121.424 120.400 0.019 0.000 2.472 411 D HA 0.091 4.731 4.640 -0.001 0.000 0.248 411 D C 1.229 177.552 176.300 0.039 0.000 1.174 411 D CA 1.492 55.506 54.000 0.023 0.000 0.883 411 D CB 0.702 41.511 40.800 0.015 0.000 1.149 411 D HN 0.849 nan 8.370 nan 0.000 0.488 412 G N 2.467 111.292 108.800 0.042 0.000 2.175 412 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.244 412 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.244 412 G C 0.015 174.954 174.900 0.065 0.000 0.982 412 G CA 0.363 45.491 45.100 0.047 0.000 0.641 412 G HN 0.643 nan 8.290 nan 0.000 0.527 413 E N -0.898 119.353 120.200 0.085 0.000 2.392 413 E HA 0.716 5.065 4.350 -0.001 0.000 0.279 413 E C -0.662 176.010 176.600 0.120 0.000 0.964 413 E CA -1.349 55.117 56.400 0.109 0.000 0.777 413 E CB 1.338 31.108 29.700 0.115 0.000 1.249 413 E HN 0.246 nan 8.360 nan 0.000 0.449 414 R N 0.542 121.110 120.500 0.113 0.000 2.474 414 R HA 0.418 4.757 4.340 -0.001 0.000 0.295 414 R C -0.439 175.822 176.300 -0.066 0.000 0.980 414 R CA -0.696 55.400 56.100 -0.006 0.000 0.934 414 R CB 0.846 31.062 30.300 -0.140 0.000 1.101 414 R HN 0.642 nan 8.270 nan 0.000 0.469 415 H N -0.462 118.461 119.070 -0.245 0.000 3.078 415 H HA 0.370 4.926 4.556 -0.001 0.000 0.263 415 H C -0.800 174.401 175.328 -0.212 0.000 1.177 415 H CA 0.025 55.932 56.048 -0.235 0.000 1.128 415 H CB 1.524 31.010 29.762 -0.461 0.000 1.623 415 H HN 0.639 nan 8.280 nan 0.000 0.592 416 A N 0.690 123.223 122.820 -0.479 0.000 2.427 416 A HA 0.654 4.974 4.320 -0.001 0.000 0.298 416 A C -1.591 175.687 177.584 -0.510 0.000 1.036 416 A CA -0.465 51.359 52.037 -0.355 0.000 0.701 416 A CB 1.074 19.811 19.000 -0.438 0.000 1.250 416 A HN 0.149 nan 8.150 nan 0.000 0.412 417 F N 1.019 121.187 119.950 0.363 0.000 2.608 417 F HA 0.568 5.095 4.527 0.001 0.000 0.309 417 F C -0.350 175.656 175.800 0.343 0.000 1.103 417 F CA -0.412 57.806 58.000 0.364 0.000 0.954 417 F CB 2.221 41.360 39.000 0.232 0.000 1.267 417 F HN 0.374 nan 8.300 nan 0.000 0.444 418 I N 4.661 125.503 120.570 0.455 0.000 2.354 418 I HA 0.472 4.642 4.170 -0.001 0.000 0.286 418 I C -1.114 175.135 176.117 0.219 0.000 1.007 418 I CA -0.254 61.226 61.300 0.301 0.000 1.167 418 I CB 0.931 39.057 38.000 0.211 0.000 1.320 418 I HN 0.367 nan 8.210 nan 0.000 0.458 419 L N 5.698 127.043 121.223 0.204 0.000 2.401 419 L HA 0.454 4.793 4.340 -0.001 0.000 0.266 419 L C 0.598 177.538 176.870 0.117 0.000 0.991 419 L CA -0.808 54.119 54.840 0.146 0.000 0.818 419 L CB 2.011 44.150 42.059 0.134 0.000 1.321 419 L HN 0.412 nan 8.230 nan 0.000 0.413 420 Q N 0.898 120.747 119.800 0.082 0.000 2.331 420 Q HA 0.082 4.421 4.340 -0.001 0.000 0.203 420 Q C -0.579 175.453 176.000 0.053 0.000 0.944 420 Q CA 0.692 56.532 55.803 0.062 0.000 0.892 420 Q CB 0.180 28.944 28.738 0.043 0.000 0.983 420 Q HN 0.841 nan 8.270 nan 0.000 0.482 421 D N -3.106 117.328 120.400 0.057 0.000 2.692 421 D HA 0.136 4.776 4.640 -0.001 0.000 0.303 421 D C 0.087 176.420 176.300 0.055 0.000 1.278 421 D CA -0.525 53.502 54.000 0.045 0.000 0.852 421 D CB -0.071 40.748 40.800 0.030 0.000 1.375 421 D HN -0.324 nan 8.370 nan 0.000 0.453 422 T N -0.929 113.651 114.554 0.043 0.000 3.007 422 T HA -0.100 4.250 4.350 -0.001 0.000 0.270 422 T C 1.442 176.184 174.700 0.069 0.000 1.107 422 T CA 1.398 63.526 62.100 0.047 0.000 1.118 422 T CB -0.145 68.736 68.868 0.022 0.000 0.889 422 T HN 0.507 nan 8.240 nan 0.000 0.506 423 K N 1.393 121.834 120.400 0.069 0.000 2.167 423 K HA 0.152 4.471 4.320 -0.001 0.000 0.203 423 K C 2.405 179.074 176.600 0.114 0.000 1.052 423 K CA 1.033 57.380 56.287 0.099 0.000 0.956 423 K CB -0.237 32.304 32.500 0.069 0.000 0.735 423 K HN 0.234 nan 8.250 nan 0.000 0.451 424 A N 1.898 124.764 122.820 0.077 0.000 1.970 424 A HA -0.014 4.305 4.320 -0.001 0.000 0.216 424 A C 2.105 179.716 177.584 0.045 0.000 1.170 424 A CA 0.569 52.641 52.037 0.058 0.000 0.645 424 A CB -0.453 18.578 19.000 0.052 0.000 0.816 424 A HN 0.391 nan 8.150 nan 0.000 0.447 425 L N -0.808 120.452 121.223 0.061 0.000 2.046 425 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 425 L C 2.437 179.361 176.870 0.089 0.000 1.077 425 L CA 2.334 57.199 54.840 0.042 0.000 0.747 425 L CB -0.861 41.221 42.059 0.038 0.000 0.896 425 L HN 0.688 nan 8.230 nan 0.000 0.432 426 H N -0.417 118.668 119.070 0.024 0.000 2.265 426 H HA -0.231 4.325 4.556 -0.000 0.000 0.295 426 H C 2.185 177.550 175.328 0.062 0.000 1.084 426 H CA 2.021 58.100 56.048 0.052 0.000 1.261 426 H CB 0.347 30.156 29.762 0.078 0.000 1.360 426 H HN 0.436 nan 8.280 nan 0.000 0.487 427 Q N 0.225 120.000 119.800 -0.042 0.000 2.030 427 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 427 Q C 2.716 178.710 176.000 -0.009 0.000 0.986 427 Q CA 1.231 56.992 55.803 -0.070 0.000 0.843 427 Q CB -0.704 28.036 28.738 0.003 0.000 0.904 427 Q HN 0.366 nan 8.270 nan 0.000 0.420 428 V N 1.069 120.945 119.914 -0.063 0.000 2.332 428 V HA -0.246 3.873 4.120 -0.001 0.000 0.248 428 V C 2.126 178.114 176.094 -0.176 0.000 1.055 428 V CA 1.821 63.994 62.300 -0.210 0.000 1.038 428 V CB -0.732 30.791 31.823 -0.500 0.000 0.651 428 V HN 0.202 nan 8.190 nan 0.000 0.450 429 F N 1.044 120.838 119.950 -0.259 0.000 2.202 429 F HA -0.169 4.357 4.527 -0.001 0.000 0.301 429 F C 2.400 178.060 175.800 -0.233 0.000 1.082 429 F CA 1.655 59.505 58.000 -0.251 0.000 1.313 429 F CB -0.165 38.729 39.000 -0.176 0.000 1.024 429 F HN 0.174 nan 8.300 nan 0.000 0.495 430 E N -0.651 119.418 120.200 -0.218 0.000 2.153 430 E HA -0.200 4.149 4.350 -0.001 0.000 0.194 430 E C 2.050 178.386 176.600 -0.440 0.000 0.988 430 E CA 1.345 57.530 56.400 -0.358 0.000 0.811 430 E CB -0.628 28.847 29.700 -0.376 0.000 0.746 430 E HN 0.608 nan 8.360 nan 0.000 0.466 431 H N -1.107 117.813 119.070 -0.251 0.000 2.551 431 H HA 0.200 4.756 4.556 -0.001 0.000 0.266 431 H C 1.786 176.986 175.328 -0.212 0.000 0.964 431 H CA 0.241 56.174 56.048 -0.191 0.000 1.180 431 H CB 0.261 29.949 29.762 -0.122 0.000 1.408 431 H HN 0.133 nan 8.280 nan 0.000 0.563 432 M N 0.609 120.056 119.600 -0.255 0.000 2.447 432 M HA 0.053 4.533 4.480 -0.001 0.000 0.264 432 M C 0.385 176.453 176.300 -0.387 0.000 1.095 432 M CA 0.589 55.699 55.300 -0.316 0.000 1.125 432 M CB 0.322 32.594 32.600 -0.547 0.000 1.389 432 M HN 0.004 nan 8.290 nan 0.000 0.459 433 L N 0.735 121.650 121.223 -0.514 0.000 2.349 433 L HA 0.181 4.520 4.340 -0.001 0.000 0.275 433 L C -0.157 176.516 176.870 -0.327 0.000 1.115 433 L CA -0.456 54.096 54.840 -0.480 0.000 0.820 433 L CB 0.342 42.047 42.059 -0.590 0.000 1.135 433 L HN -0.082 nan 8.230 nan 0.000 0.445 434 D N 2.336 122.561 120.400 -0.291 0.000 2.460 434 D HA 0.249 4.889 4.640 -0.001 0.000 0.232 434 D C 0.079 176.218 176.300 -0.269 0.000 1.079 434 D CA -0.342 53.523 54.000 -0.223 0.000 0.864 434 D CB 1.698 42.407 40.800 -0.152 0.000 1.048 434 D HN 0.182 nan 8.370 nan 0.000 0.523 435 V N 2.829 122.586 119.914 -0.263 0.000 3.376 435 V HA -0.021 4.099 4.120 -0.001 0.000 0.313 435 V C 2.096 178.098 176.094 -0.154 0.000 1.393 435 V CA 0.702 62.835 62.300 -0.279 0.000 1.125 435 V CB -0.141 31.495 31.823 -0.312 0.000 1.037 435 V HN 0.590 nan 8.190 nan 0.000 0.440 436 S N 0.399 116.027 115.700 -0.120 0.000 2.447 436 S HA -0.083 4.386 4.470 -0.001 0.000 0.233 436 S C 1.530 176.095 174.600 -0.059 0.000 1.006 436 S CA 0.857 59.016 58.200 -0.069 0.000 0.957 436 S CB -0.230 62.936 63.200 -0.056 0.000 0.773 436 S HN 0.652 nan 8.310 nan 0.000 0.507 437 K N 0.230 120.582 120.400 -0.079 0.000 2.373 437 K HA 0.329 4.649 4.320 -0.001 0.000 0.202 437 K C -0.507 176.056 176.600 -0.062 0.000 1.025 437 K CA -0.264 55.985 56.287 -0.063 0.000 1.115 437 K CB 0.194 32.653 32.500 -0.067 0.000 0.858 437 K HN 0.260 nan 8.250 nan 0.000 0.525 438 L N 2.487 123.666 121.223 -0.073 0.000 2.385 438 L HA 0.053 4.393 4.340 -0.001 0.000 0.285 438 L C 0.444 177.306 176.870 -0.013 0.000 1.125 438 L CA 0.757 55.567 54.840 -0.051 0.000 0.890 438 L CB 0.249 42.261 42.059 -0.077 0.000 1.251 438 L HN 0.104 nan 8.230 nan 0.000 0.445 439 T N -1.643 112.907 114.554 -0.005 0.000 3.337 439 T HA 0.286 4.635 4.350 -0.001 0.000 0.299 439 T C 0.086 174.794 174.700 0.014 0.000 0.998 439 T CA -0.259 61.845 62.100 0.007 0.000 0.948 439 T CB -0.571 68.299 68.868 0.004 0.000 1.170 439 T HN 0.579 nan 8.240 nan 0.000 0.508 440 D N 1.040 121.449 120.400 0.015 0.000 2.478 440 D HA 0.312 4.952 4.640 -0.001 0.000 0.269 440 D C 1.155 177.471 176.300 0.026 0.000 1.232 440 D CA -0.285 53.727 54.000 0.020 0.000 1.059 440 D CB 0.375 41.187 40.800 0.019 0.000 1.104 440 D HN 0.087 nan 8.370 nan 0.000 0.566 441 T N -2.452 112.117 114.554 0.025 0.000 3.272 441 T HA 0.087 4.437 4.350 -0.001 0.000 0.250 441 T C 0.953 175.667 174.700 0.023 0.000 1.082 441 T CA -0.599 61.515 62.100 0.024 0.000 0.968 441 T CB -0.893 67.988 68.868 0.022 0.000 1.015 441 T HN 0.443 nan 8.240 nan 0.000 0.563 442 I N 3.170 123.758 120.570 0.031 0.000 2.906 442 I HA 0.030 4.200 4.170 -0.001 0.000 0.302 442 I C 0.907 177.037 176.117 0.021 0.000 1.220 442 I CA -0.572 60.747 61.300 0.031 0.000 1.441 442 I CB 0.018 38.052 38.000 0.057 0.000 1.336 442 I HN 0.603 nan 8.210 nan 0.000 0.565 443 c N 5.253 123.844 118.600 -0.015 0.000 2.459 443 c HA 0.759 5.329 4.570 -0.001 0.000 0.374 443 c C 1.363 175.401 174.090 -0.088 0.000 1.241 443 c CA 0.001 56.299 56.329 -0.053 0.000 2.352 443 c CB 0.176 42.627 42.510 -0.098 0.000 2.490 443 c HN 1.260 nan 8.230 nan 0.000 0.583 444 G N 1.783 110.537 108.800 -0.076 0.000 2.160 444 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.251 444 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.251 444 G C -0.235 174.745 174.900 0.135 0.000 1.008 444 G CA 0.272 45.312 45.100 -0.100 0.000 0.724 444 G HN 1.296 nan 8.290 nan 0.000 0.514 445 V N -0.103 119.921 119.914 0.183 0.000 2.532 445 V HA 0.912 5.032 4.120 -0.001 0.000 0.295 445 V C 0.826 177.096 176.094 0.294 0.000 1.041 445 V CA 0.449 62.864 62.300 0.192 0.000 0.926 445 V CB 1.667 33.579 31.823 0.149 0.000 0.992 445 V HN 1.105 nan 8.190 nan 0.000 0.457 446 G N 2.627 111.622 108.800 0.325 0.000 2.649 446 G HA2 0.321 4.280 3.960 -0.001 0.000 0.290 446 G HA3 0.321 4.280 3.960 -0.001 0.000 0.290 446 G C -1.547 173.457 174.900 0.175 0.000 1.426 446 G CA -0.647 44.598 45.100 0.241 0.000 0.794 446 G HN 0.475 nan 8.290 nan 0.000 0.483 447 N N 0.542 119.260 118.700 0.031 0.000 2.426 447 N HA 0.270 5.009 4.740 -0.001 0.000 0.275 447 N C 0.793 176.310 175.510 0.013 0.000 1.019 447 N CA -0.534 52.497 53.050 -0.031 0.000 0.941 447 N CB 1.342 39.743 38.487 -0.144 0.000 1.123 447 N HN 0.218 nan 8.380 nan 0.000 0.486 448 M N 0.422 120.018 119.600 -0.007 0.000 2.428 448 M HA 0.118 4.597 4.480 -0.001 0.000 0.239 448 M C 0.795 177.041 176.300 -0.089 0.000 1.121 448 M CA -0.060 55.256 55.300 0.027 0.000 1.019 448 M CB -1.298 31.331 32.600 0.048 0.000 1.485 448 M HN 0.250 nan 8.290 nan 0.000 0.484 449 S N 1.181 116.796 115.700 -0.143 0.000 2.531 449 S HA 0.429 4.898 4.470 -0.001 0.000 0.279 449 S C 1.368 175.952 174.600 -0.028 0.000 1.305 449 S CA 0.126 58.268 58.200 -0.097 0.000 1.058 449 S CB 0.842 63.953 63.200 -0.148 0.000 0.899 449 S HN 0.466 nan 8.310 nan 0.000 0.493 450 A N 4.874 127.698 122.820 0.007 0.000 2.178 450 A HA -0.046 4.274 4.320 -0.001 0.000 0.218 450 A C 1.615 179.203 177.584 0.006 0.000 1.157 450 A CA 1.209 53.248 52.037 0.004 0.000 0.689 450 A CB -0.310 18.698 19.000 0.012 0.000 0.787 450 A HN 0.814 nan 8.150 nan 0.000 0.465 451 N N -0.851 117.879 118.700 0.049 0.000 2.197 451 N HA 0.264 5.003 4.740 -0.001 0.000 0.201 451 N C 0.553 176.100 175.510 0.060 0.000 1.148 451 N CA 0.668 53.754 53.050 0.060 0.000 0.883 451 N CB 0.153 38.688 38.487 0.080 0.000 1.012 451 N HN 0.423 nan 8.380 nan 0.000 0.507 452 A N 0.847 123.671 122.820 0.007 0.000 2.327 452 A HA 0.436 4.755 4.320 -0.001 0.000 0.255 452 A C 0.927 178.453 177.584 -0.096 0.000 1.099 452 A CA -0.295 51.701 52.037 -0.067 0.000 0.801 452 A CB 0.144 19.054 19.000 -0.151 0.000 1.062 452 A HN 0.270 nan 8.150 nan 0.000 0.496 453 S N -0.272 115.348 115.700 -0.133 0.000 2.634 453 S HA 0.152 4.622 4.470 -0.001 0.000 0.261 453 S C 0.375 174.849 174.600 -0.209 0.000 1.271 453 S CA 0.136 58.245 58.200 -0.151 0.000 0.985 453 S CB 0.492 63.611 63.200 -0.135 0.000 0.968 453 S HN 0.602 nan 8.310 nan 0.000 0.568 454 D N 0.378 120.654 120.400 -0.206 0.000 2.104 454 D HA -0.119 4.520 4.640 -0.001 0.000 0.194 454 D C 1.926 178.023 176.300 -0.337 0.000 0.994 454 D CA 1.581 55.432 54.000 -0.247 0.000 0.830 454 D CB -0.478 40.194 40.800 -0.214 0.000 0.959 454 D HN 0.674 nan 8.370 nan 0.000 0.452 455 Q N 0.890 120.494 119.800 -0.327 0.000 2.170 455 Q HA -0.138 4.201 4.340 -0.001 0.000 0.203 455 Q C 1.775 177.455 176.000 -0.534 0.000 0.976 455 Q CA 1.321 56.888 55.803 -0.394 0.000 0.858 455 Q CB -0.075 28.509 28.738 -0.258 0.000 0.907 455 Q HN 0.356 nan 8.270 nan 0.000 0.433 456 E N -0.781 119.072 120.200 -0.578 0.000 2.106 456 E HA -0.150 4.200 4.350 -0.001 0.000 0.192 456 E C 1.991 178.364 176.600 -0.379 0.000 0.984 456 E CA 0.866 56.955 56.400 -0.518 0.000 0.806 456 E CB 0.038 29.483 29.700 -0.426 0.000 0.750 456 E HN 0.288 nan 8.360 nan 0.000 0.458 457 R N -0.066 120.208 120.500 -0.377 0.000 2.153 457 R HA -0.020 4.320 4.340 -0.001 0.000 0.218 457 R C 0.919 176.836 176.300 -0.639 0.000 1.072 457 R CA 1.422 57.312 56.100 -0.350 0.000 0.990 457 R CB 0.233 30.375 30.300 -0.264 0.000 0.889 457 R HN 0.061 nan 8.270 nan 0.000 0.452 458 T N -2.398 111.633 114.554 -0.871 0.000 3.428 458 T HA 0.258 4.607 4.350 -0.001 0.000 0.301 458 T C -2.468 171.313 174.700 -1.532 0.000 1.323 458 T CA -1.598 59.485 62.100 -1.694 0.000 1.647 458 T CB 1.606 69.468 68.868 -1.676 0.000 0.871 458 T HN -0.137 nan 8.240 nan 0.000 0.627 459 P HA 0.098 nan 4.420 nan 0.000 0.241 459 P C 0.964 178.058 177.300 -0.344 0.000 1.191 459 P CA 0.124 62.915 63.100 -0.515 0.000 0.771 459 P CB -0.374 31.173 31.700 -0.255 0.000 0.929 460 W N -1.227 119.967 121.300 -0.177 0.000 2.905 460 W HA 0.128 4.788 4.660 -0.000 0.000 0.251 460 W C 0.912 177.369 176.519 -0.103 0.000 1.305 460 W CA -0.327 56.932 57.345 -0.143 0.000 1.465 460 W CB -1.796 27.555 29.460 -0.183 0.000 1.122 460 W HN -0.057 nan 8.180 nan 0.000 0.659 461 H N 2.272 120.952 119.070 -0.649 0.000 2.848 461 H HA 0.296 4.852 4.556 -0.001 0.000 0.317 461 H C -0.206 175.030 175.328 -0.152 0.000 1.046 461 H CA 0.677 56.516 56.048 -0.347 0.000 1.470 461 H CB 1.227 30.672 29.762 -0.529 0.000 1.483 461 H HN 0.025 nan 8.280 nan 0.000 0.548 462 V N 2.668 122.270 119.914 -0.520 0.000 3.040 462 V HA 0.519 4.638 4.120 -0.001 0.000 0.312 462 V C -0.330 175.555 176.094 -0.348 0.000 1.115 462 V CA -0.820 61.301 62.300 -0.298 0.000 0.998 462 V CB 2.084 33.823 31.823 -0.139 0.000 1.042 462 V HN 0.730 nan 8.190 nan 0.000 0.433 463 T N 4.524 118.988 114.554 -0.150 0.000 2.794 463 T HA 0.675 5.024 4.350 -0.001 0.000 0.280 463 T C -0.281 174.399 174.700 -0.033 0.000 0.987 463 T CA -0.183 61.868 62.100 -0.082 0.000 0.993 463 T CB 0.945 69.810 68.868 -0.004 0.000 0.939 463 T HN 0.650 nan 8.240 nan 0.000 0.449 464 I N 3.407 123.950 120.570 -0.046 0.000 2.362 464 I HA 0.398 4.568 4.170 -0.001 0.000 0.289 464 I C -0.403 175.696 176.117 -0.029 0.000 0.994 464 I CA -1.040 60.242 61.300 -0.030 0.000 1.158 464 I CB 1.503 39.455 38.000 -0.081 0.000 1.315 464 I HN 0.403 nan 8.210 nan 0.000 0.451 465 K N 7.346 127.763 120.400 0.029 0.000 2.473 465 K HA 0.443 4.763 4.320 -0.001 0.000 0.246 465 K C -2.607 174.050 176.600 0.096 0.000 1.011 465 K CA -1.395 54.922 56.287 0.051 0.000 0.984 465 K CB 0.937 33.485 32.500 0.081 0.000 1.250 465 K HN 0.227 nan 8.250 nan 0.000 0.454 472 c N 2.319 120.854 118.600 -0.109 0.000 3.236 472 c HA 0.866 5.436 4.570 -0.001 0.000 0.312 472 c C -0.880 173.154 174.090 -0.093 0.000 1.374 472 c CA -0.917 55.327 56.329 -0.141 0.000 1.455 472 c CB 2.045 44.365 42.510 -0.317 0.000 1.834 472 c HN 0.866 nan 8.230 nan 0.000 0.460 473 R N 0.371 120.830 120.500 -0.069 0.000 2.875 473 R HA 0.864 5.204 4.340 -0.001 0.000 0.251 473 R C 0.060 176.309 176.300 -0.084 0.000 1.123 473 R CA -0.382 55.673 56.100 -0.075 0.000 1.064 473 R CB 0.850 31.183 30.300 0.054 0.000 1.205 473 R HN 1.077 nan 8.270 nan 0.000 0.503 474 G N -1.397 107.338 108.800 -0.109 0.000 2.645 474 G HA2 0.635 4.594 3.960 -0.001 0.000 0.292 474 G HA3 0.635 4.594 3.960 -0.001 0.000 0.292 474 G C -1.860 173.048 174.900 0.014 0.000 1.415 474 G CA -0.223 44.862 45.100 -0.026 0.000 0.785 474 G HN 0.573 nan 8.290 nan 0.000 0.483 475 A N -0.076 122.798 122.820 0.090 0.000 2.381 475 A HA 0.711 5.030 4.320 -0.001 0.000 0.299 475 A C -0.398 177.256 177.584 0.117 0.000 1.049 475 A CA -0.534 51.606 52.037 0.171 0.000 0.715 475 A CB 1.058 20.153 19.000 0.159 0.000 1.222 475 A HN 0.736 nan 8.150 nan 0.000 0.428 476 L N 3.130 124.425 121.223 0.119 0.000 2.513 476 L HA 0.130 4.469 4.340 -0.001 0.000 0.272 476 L C 1.023 177.944 176.870 0.085 0.000 1.187 476 L CA 0.307 55.197 54.840 0.083 0.000 0.895 476 L CB 0.522 42.613 42.059 0.054 0.000 1.147 476 L HN 0.865 nan 8.230 nan 0.000 0.483 477 I N -0.692 119.925 120.570 0.079 0.000 4.403 477 I HA 0.260 4.430 4.170 -0.001 0.000 0.331 477 I C 0.657 176.796 176.117 0.036 0.000 1.327 477 I CA -0.131 61.191 61.300 0.035 0.000 1.175 477 I CB 0.724 38.748 38.000 0.040 0.000 1.165 477 I HN 0.549 nan 8.210 nan 0.000 0.413 478 S N 0.659 116.411 115.700 0.086 0.000 2.790 478 S HA 0.270 4.740 4.470 -0.001 0.000 0.292 478 S C -0.131 174.513 174.600 0.074 0.000 1.197 478 S CA 0.091 58.344 58.200 0.089 0.000 0.851 478 S CB 0.984 64.269 63.200 0.142 0.000 1.217 478 S HN 0.264 nan 8.310 nan 0.000 0.526 479 D N -0.664 119.777 120.400 0.069 0.000 2.363 479 D HA 0.099 4.739 4.640 -0.001 0.000 0.226 479 D C 0.953 177.253 176.300 -0.000 0.000 1.020 479 D CA 0.692 54.709 54.000 0.028 0.000 0.892 479 D CB 0.000 40.819 40.800 0.031 0.000 0.900 479 D HN 0.583 nan 8.370 nan 0.000 0.531 480 Q N -1.866 117.959 119.800 0.041 0.000 2.046 480 Q HA 0.173 4.513 4.340 -0.001 0.000 0.226 480 Q C -0.848 175.060 176.000 -0.154 0.000 0.755 480 Q CA -0.336 55.422 55.803 -0.075 0.000 0.924 480 Q CB 1.005 29.686 28.738 -0.096 0.000 1.188 480 Q HN 0.124 nan 8.270 nan 0.000 0.450 481 W N 0.194 121.476 121.300 -0.030 0.000 2.689 481 W HA 0.629 5.289 4.660 -0.001 0.000 0.340 481 W C -0.750 175.763 176.519 -0.010 0.000 1.060 481 W CA -0.584 56.756 57.345 -0.008 0.000 1.218 481 W CB 1.684 31.149 29.460 0.007 0.000 1.410 481 W HN -0.320 nan 8.180 nan 0.000 0.528 482 V N 4.168 124.254 119.914 0.287 0.000 2.638 482 V HA 0.413 4.533 4.120 -0.001 0.000 0.306 482 V C -1.119 175.103 176.094 0.214 0.000 1.052 482 V CA -1.020 61.381 62.300 0.169 0.000 0.885 482 V CB 1.730 33.598 31.823 0.075 0.000 0.999 482 V HN 0.346 nan 8.190 nan 0.000 0.424 483 L N 4.549 125.872 121.223 0.167 0.000 2.325 483 L HA 0.935 5.274 4.340 -0.001 0.000 0.278 483 L C -0.069 176.875 176.870 0.123 0.000 1.023 483 L CA 0.985 55.929 54.840 0.173 0.000 0.811 483 L CB 1.896 44.044 42.059 0.148 0.000 1.249 483 L HN 0.848 nan 8.230 nan 0.000 0.431 484 T N 2.637 117.262 114.554 0.118 0.000 2.648 484 T HA 0.787 5.137 4.350 -0.001 0.000 0.304 484 T C -1.591 173.093 174.700 -0.026 0.000 1.312 484 T CA -0.034 62.087 62.100 0.036 0.000 1.023 484 T CB 0.970 69.849 68.868 0.019 0.000 1.612 484 T HN 0.913 nan 8.240 nan 0.000 0.487 485 A N 0.586 123.298 122.820 -0.180 0.000 2.301 485 A HA 0.753 5.073 4.320 -0.001 0.000 0.312 485 A C 1.421 178.757 177.584 -0.414 0.000 1.182 485 A CA 0.246 52.097 52.037 -0.310 0.000 0.826 485 A CB 0.540 19.272 19.000 -0.446 0.000 1.134 485 A HN 1.216 nan 8.150 nan 0.000 0.501 486 A N 1.398 123.970 122.820 -0.412 0.000 1.940 486 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 486 A C 1.739 179.011 177.584 -0.520 0.000 1.176 486 A CA 1.836 53.646 52.037 -0.380 0.000 0.631 486 A CB -1.051 17.635 19.000 -0.523 0.000 0.814 486 A HN 1.101 nan 8.150 nan 0.000 0.446 487 H N -2.124 116.499 119.070 -0.744 0.000 2.567 487 H HA -0.011 4.544 4.556 -0.001 0.000 0.276 487 H C 1.481 176.665 175.328 -0.240 0.000 1.016 487 H CA 1.070 56.903 56.048 -0.359 0.000 1.186 487 H CB -0.609 29.117 29.762 -0.060 0.000 1.351 487 H HN 0.426 nan 8.280 nan 0.000 0.605 488 c N 0.480 118.611 118.600 -0.781 0.000 2.514 488 c HA 0.186 4.756 4.570 -0.001 0.000 0.271 488 c C 0.870 174.429 174.090 -0.885 0.000 1.399 488 c CA -0.099 55.683 56.329 -0.913 0.000 1.765 488 c CB -1.145 40.558 42.510 -1.345 0.000 1.893 488 c HN 0.361 nan 8.230 nan 0.000 0.531 497 L N 0.249 121.392 121.223 -0.133 0.000 2.664 497 L HA 0.478 4.817 4.340 -0.001 0.000 0.233 497 L C 0.598 177.596 176.870 0.213 0.000 1.113 497 L CA -0.269 54.596 54.840 0.043 0.000 0.896 497 L CB -1.228 40.874 42.059 0.071 0.000 1.163 497 L HN 0.531 nan 8.230 nan 0.000 0.497 498 W N 1.808 123.137 121.300 0.048 0.000 2.264 498 W HA 0.535 5.195 4.660 -0.001 0.000 0.331 498 W C 0.403 176.960 176.519 0.065 0.000 1.364 498 W CA -0.555 56.835 57.345 0.075 0.000 1.253 498 W CB 0.100 29.600 29.460 0.068 0.000 1.215 498 W HN 0.173 nan 8.180 nan 0.000 0.561 499 R N 1.755 122.431 120.500 0.293 0.000 2.740 499 R HA 0.661 5.001 4.340 -0.001 0.000 0.282 499 R C -1.144 175.258 176.300 0.170 0.000 0.969 499 R CA -1.338 54.880 56.100 0.197 0.000 0.918 499 R CB 1.780 32.166 30.300 0.143 0.000 1.175 499 R HN 0.172 nan 8.270 nan 0.000 0.464 500 V N 2.489 122.507 119.914 0.173 0.000 2.487 500 V HA 0.337 4.456 4.120 -0.001 0.000 0.298 500 V C 0.040 176.234 176.094 0.166 0.000 1.028 500 V CA -0.965 61.415 62.300 0.134 0.000 0.860 500 V CB 1.960 33.845 31.823 0.104 0.000 0.991 500 V HN 0.619 nan 8.190 nan 0.000 0.427 501 N N 3.692 122.458 118.700 0.111 0.000 2.425 501 N HA 0.491 5.231 4.740 -0.001 0.000 0.268 501 N C -0.934 174.627 175.510 0.084 0.000 0.991 501 N CA -0.146 52.984 53.050 0.133 0.000 0.931 501 N CB 1.882 40.431 38.487 0.105 0.000 1.130 501 N HN 0.417 nan 8.380 nan 0.000 0.493 502 V N 1.455 121.451 119.914 0.137 0.000 2.966 502 V HA 0.494 4.614 4.120 -0.001 0.000 0.317 502 V C 1.272 177.412 176.094 0.076 0.000 1.070 502 V CA -0.852 61.473 62.300 0.042 0.000 1.008 502 V CB 1.558 33.331 31.823 -0.082 0.000 1.070 502 V HN 0.710 nan 8.190 nan 0.000 0.457 503 G N 0.645 109.464 108.800 0.033 0.000 2.544 503 G HA2 0.368 4.328 3.960 -0.001 0.000 0.242 503 G HA3 0.368 4.328 3.960 -0.001 0.000 0.242 503 G C -0.713 174.250 174.900 0.105 0.000 1.247 503 G CA 0.162 45.306 45.100 0.073 0.000 0.840 503 G HN 0.704 nan 8.290 nan 0.000 0.578 504 D N 1.435 121.882 120.400 0.079 0.000 2.966 504 D HA 0.234 4.873 4.640 -0.001 0.000 0.222 504 D C -2.145 173.971 176.300 -0.308 0.000 1.292 504 D CA -1.396 52.590 54.000 -0.023 0.000 0.907 504 D CB 2.634 43.447 40.800 0.021 0.000 1.621 504 D HN 0.018 nan 8.370 nan 0.000 0.557 505 P HA -0.078 nan 4.420 nan 0.000 0.222 505 P C 1.073 178.092 177.300 -0.468 0.000 1.147 505 P CA 0.704 63.258 63.100 -0.910 0.000 0.790 505 P CB 0.434 31.892 31.700 -0.403 0.000 0.780 506 K N -0.433 119.826 120.400 -0.235 0.000 2.217 506 K HA 0.083 4.403 4.320 -0.001 0.000 0.202 506 K C 0.694 177.254 176.600 -0.067 0.000 1.051 506 K CA 0.869 57.089 56.287 -0.112 0.000 0.952 506 K CB -0.385 32.084 32.500 -0.050 0.000 0.736 506 K HN 0.246 nan 8.250 nan 0.000 0.453 507 S N -0.049 115.606 115.700 -0.075 0.000 2.546 507 S HA 0.171 4.641 4.470 -0.001 0.000 0.272 507 S C 0.526 175.057 174.600 -0.116 0.000 1.140 507 S CA -0.995 57.206 58.200 0.001 0.000 0.920 507 S CB 1.861 65.175 63.200 0.189 0.000 1.083 507 S HN 0.190 nan 8.310 nan 0.000 0.476 508 Q N 0.502 120.106 119.800 -0.326 0.000 2.515 508 Q HA -0.085 4.255 4.340 -0.001 0.000 0.215 508 Q C 0.432 176.148 176.000 -0.472 0.000 0.983 508 Q CA 1.405 56.924 55.803 -0.474 0.000 0.905 508 Q CB -0.596 27.713 28.738 -0.715 0.000 0.961 508 Q HN 0.879 nan 8.270 nan 0.000 0.503 509 W N 1.083 122.392 121.300 0.016 0.000 2.737 509 W HA 0.315 4.974 4.660 -0.001 0.000 0.262 509 W C 1.217 177.751 176.519 0.025 0.000 1.282 509 W CA 0.381 57.736 57.345 0.016 0.000 1.386 509 W CB 0.207 29.670 29.460 0.006 0.000 1.099 509 W HN 0.461 nan 8.180 nan 0.000 0.621 510 G N 1.305 110.210 108.800 0.175 0.000 2.632 510 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.224 510 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.224 510 G C -0.689 174.298 174.900 0.146 0.000 1.341 510 G CA -0.113 45.067 45.100 0.133 0.000 0.880 510 G HN 0.114 nan 8.290 nan 0.000 0.566 511 K N 0.022 120.520 120.400 0.163 0.000 2.468 511 K HA 0.518 4.838 4.320 -0.001 0.000 0.252 511 K C -0.825 175.896 176.600 0.201 0.000 0.932 511 K CA -0.789 55.582 56.287 0.140 0.000 0.794 511 K CB 1.491 34.078 32.500 0.146 0.000 1.241 511 K HN 0.450 nan 8.250 nan 0.000 0.428 512 E N 2.798 123.023 120.200 0.042 0.000 2.266 512 E HA 0.324 4.674 4.350 -0.001 0.000 0.277 512 E C -0.961 175.581 176.600 -0.097 0.000 1.018 512 E CA -0.163 56.276 56.400 0.065 0.000 0.840 512 E CB 0.819 30.523 29.700 0.007 0.000 1.082 512 E HN 0.358 nan 8.360 nan 0.000 0.395 513 F N 0.850 120.815 119.950 0.025 0.000 2.599 513 F HA 0.400 4.927 4.527 -0.001 0.000 0.311 513 F C -0.012 175.804 175.800 0.027 0.000 1.076 513 F CA -0.818 57.191 58.000 0.016 0.000 0.937 513 F CB 1.249 40.253 39.000 0.007 0.000 1.282 513 F HN 0.114 nan 8.300 nan 0.000 0.460 514 L N 2.867 124.191 121.223 0.169 0.000 2.352 514 L HA 0.549 4.889 4.340 -0.001 0.000 0.269 514 L C -0.765 176.172 176.870 0.111 0.000 1.034 514 L CA -1.116 53.793 54.840 0.114 0.000 0.806 514 L CB 1.518 43.603 42.059 0.043 0.000 1.244 514 L HN 0.358 nan 8.230 nan 0.000 0.447 515 I N 0.866 121.492 120.570 0.092 0.000 2.428 515 I HA 0.042 4.211 4.170 -0.001 0.000 0.289 515 I C 1.143 177.242 176.117 -0.029 0.000 1.019 515 I CA 0.367 61.697 61.300 0.049 0.000 1.351 515 I CB 1.127 39.227 38.000 0.166 0.000 1.412 515 I HN 0.711 nan 8.210 nan 0.000 0.513 516 E N 4.906 125.054 120.200 -0.087 0.000 2.307 516 E HA 0.138 4.488 4.350 -0.001 0.000 0.195 516 E C 0.208 176.742 176.600 -0.110 0.000 0.975 516 E CA 0.321 56.660 56.400 -0.102 0.000 0.878 516 E CB 0.629 30.256 29.700 -0.121 0.000 0.845 516 E HN 0.538 nan 8.360 nan 0.000 0.488 517 K N -0.238 120.085 120.400 -0.129 0.000 2.569 517 K HA 0.564 4.883 4.320 -0.001 0.000 0.259 517 K C -2.117 174.449 176.600 -0.057 0.000 0.932 517 K CA -0.439 55.790 56.287 -0.096 0.000 0.833 517 K CB 2.086 34.516 32.500 -0.118 0.000 1.340 517 K HN 0.050 nan 8.250 nan 0.000 0.429 518 A N 2.677 125.512 122.820 0.025 0.000 2.381 518 A HA 0.612 4.931 4.320 -0.001 0.000 0.299 518 A C -1.395 176.254 177.584 0.109 0.000 1.049 518 A CA -0.655 51.436 52.037 0.089 0.000 0.715 518 A CB 1.453 20.572 19.000 0.199 0.000 1.222 518 A HN 0.288 nan 8.150 nan 0.000 0.428 519 V N 3.707 123.713 119.914 0.155 0.000 2.334 519 V HA 0.420 4.539 4.120 -0.001 0.000 0.281 519 V C -0.309 175.947 176.094 0.270 0.000 1.016 519 V CA -0.155 62.222 62.300 0.129 0.000 0.832 519 V CB 0.750 32.519 31.823 -0.090 0.000 0.999 519 V HN 0.726 nan 8.190 nan 0.000 0.439 520 I N 3.098 123.821 120.570 0.254 0.000 2.339 520 I HA 0.304 4.474 4.170 -0.001 0.000 0.290 520 I C 0.848 177.130 176.117 0.275 0.000 0.994 520 I CA -0.227 61.220 61.300 0.246 0.000 1.191 520 I CB 1.869 39.996 38.000 0.211 0.000 1.343 520 I HN 0.644 nan 8.210 nan 0.000 0.458 521 S N 8.098 123.853 115.700 0.092 0.000 2.593 521 S HA 0.053 4.523 4.470 -0.001 0.000 0.300 521 S C -1.161 173.520 174.600 0.136 0.000 1.267 521 S CA -0.731 57.442 58.200 -0.045 0.000 1.065 521 S CB 0.514 63.366 63.200 -0.581 0.000 0.807 521 S HN 0.512 nan 8.310 nan 0.000 0.499 522 P HA 0.173 nan 4.420 nan 0.000 0.249 522 P C 1.083 178.458 177.300 0.125 0.000 1.229 522 P CA 0.356 63.557 63.100 0.169 0.000 0.788 522 P CB -0.209 31.600 31.700 0.181 0.000 1.072 523 G N -0.470 108.389 108.800 0.098 0.000 2.712 523 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.212 523 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.212 523 G C 0.132 175.089 174.900 0.096 0.000 1.142 523 G CA -0.294 44.855 45.100 0.083 0.000 0.789 523 G HN 0.264 nan 8.290 nan 0.000 0.535 524 F N 1.641 121.578 119.950 -0.022 0.000 2.495 524 F HA 0.435 4.962 4.527 -0.001 0.000 0.365 524 F C -0.463 175.329 175.800 -0.013 0.000 1.090 524 F CA -0.564 57.417 58.000 -0.031 0.000 1.235 524 F CB 1.026 40.003 39.000 -0.038 0.000 1.119 524 F HN 0.019 nan 8.300 nan 0.000 0.562 525 D N 5.387 125.186 120.400 -1.003 0.000 2.300 525 D HA 0.009 4.649 4.640 -0.001 0.000 0.218 525 D C -0.035 175.732 176.300 -0.888 0.000 1.326 525 D CA -0.373 53.163 54.000 -0.773 0.000 0.942 525 D CB 0.974 41.612 40.800 -0.270 0.000 1.495 525 D HN 0.375 nan 8.370 nan 0.000 0.545 526 V N 3.821 123.020 119.914 -1.191 0.000 2.490 526 V HA -0.007 4.113 4.120 -0.001 0.000 0.250 526 V C 1.192 176.868 176.094 -0.697 0.000 1.061 526 V CA 1.550 63.209 62.300 -1.068 0.000 1.064 526 V CB -0.398 30.793 31.823 -1.052 0.000 0.670 526 V HN 0.552 nan 8.190 nan 0.000 0.461 527 F N -0.314 119.486 119.950 -0.251 0.000 2.660 527 F HA 0.413 4.940 4.527 -0.001 0.000 0.297 527 F C 1.906 177.632 175.800 -0.125 0.000 1.132 527 F CA 0.270 58.181 58.000 -0.149 0.000 1.372 527 F CB -0.320 38.617 39.000 -0.104 0.000 1.003 527 F HN 0.180 nan 8.300 nan 0.000 0.524 528 A N 0.465 123.265 122.820 -0.033 0.000 2.019 528 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 528 A C 2.001 179.539 177.584 -0.076 0.000 1.164 528 A CA 1.244 53.254 52.037 -0.045 0.000 0.644 528 A CB -0.219 18.748 19.000 -0.054 0.000 0.805 528 A HN 0.344 nan 8.150 nan 0.000 0.449 529 K N -1.120 119.228 120.400 -0.087 0.000 2.387 529 K HA 0.137 4.456 4.320 -0.001 0.000 0.203 529 K C 1.389 177.962 176.600 -0.045 0.000 1.030 529 K CA 0.054 56.266 56.287 -0.126 0.000 1.099 529 K CB 0.461 32.807 32.500 -0.256 0.000 0.863 529 K HN 0.420 nan 8.250 nan 0.000 0.529 530 K N 1.583 121.990 120.400 0.011 0.000 2.009 530 K HA -0.121 4.199 4.320 -0.001 0.000 0.210 530 K C 1.395 177.990 176.600 -0.009 0.000 1.049 530 K CA 1.560 57.865 56.287 0.030 0.000 0.929 530 K CB 0.119 32.657 32.500 0.063 0.000 0.714 530 K HN 0.012 nan 8.250 nan 0.000 0.440 531 N N 0.867 119.553 118.700 -0.023 0.000 2.519 531 N HA -0.123 4.616 4.740 -0.001 0.000 0.186 531 N C 0.746 176.239 175.510 -0.028 0.000 1.062 531 N CA 0.934 53.966 53.050 -0.030 0.000 0.910 531 N CB 0.163 38.630 38.487 -0.032 0.000 0.958 531 N HN 0.404 nan 8.380 nan 0.000 0.445 532 Q N -1.070 118.711 119.800 -0.031 0.000 2.219 532 Q HA 0.260 4.600 4.340 -0.001 0.000 0.209 532 Q C 0.298 176.286 176.000 -0.020 0.000 0.854 532 Q CA -0.011 55.772 55.803 -0.033 0.000 0.960 532 Q CB 0.836 29.543 28.738 -0.053 0.000 1.116 532 Q HN 0.371 nan 8.270 nan 0.000 0.500 533 G N 1.211 110.009 108.800 -0.003 0.000 2.163 533 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.213 533 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.213 533 G C -0.016 174.924 174.900 0.067 0.000 0.991 533 G CA -0.498 44.615 45.100 0.022 0.000 0.653 533 G HN 0.279 nan 8.290 nan 0.000 0.518 534 I N 1.499 122.106 120.570 0.062 0.000 2.388 534 I HA 0.315 4.484 4.170 -0.001 0.000 0.281 534 I C 1.130 177.335 176.117 0.147 0.000 1.046 534 I CA -0.923 60.469 61.300 0.154 0.000 1.187 534 I CB 1.250 39.273 38.000 0.038 0.000 1.351 534 I HN -0.071 nan 8.210 nan 0.000 0.472 535 L N 4.652 125.975 121.223 0.166 0.000 2.395 535 L HA 0.199 4.538 4.340 -0.001 0.000 0.218 535 L C 0.570 177.525 176.870 0.141 0.000 1.130 535 L CA 1.059 55.964 54.840 0.108 0.000 0.826 535 L CB -0.807 41.274 42.059 0.036 0.000 0.941 535 L HN 0.508 nan 8.230 nan 0.000 0.451 536 E N -1.427 118.834 120.200 0.102 0.000 2.278 536 E HA 0.311 4.660 4.350 -0.001 0.000 0.272 536 E C -1.603 174.895 176.600 -0.170 0.000 0.890 536 E CA -0.444 55.895 56.400 -0.101 0.000 0.770 536 E CB 2.347 31.995 29.700 -0.086 0.000 1.212 536 E HN -0.157 nan 8.360 nan 0.000 0.415 537 F N 2.592 122.188 119.950 -0.591 0.000 2.518 537 F HA 0.369 4.895 4.527 -0.001 0.000 0.323 537 F C -1.014 174.418 175.800 -0.614 0.000 1.129 537 F CA -0.596 57.103 58.000 -0.502 0.000 0.920 537 F CB 0.812 39.629 39.000 -0.304 0.000 1.160 537 F HN 0.497 nan 8.300 nan 0.000 0.440 538 Y N 3.697 123.492 120.300 -0.842 0.000 2.584 538 Y HA 0.328 4.878 4.550 -0.001 0.000 0.254 538 Y C 1.423 177.263 175.900 -0.101 0.000 1.177 538 Y CA -0.330 57.632 58.100 -0.231 0.000 1.216 538 Y CB 0.285 38.684 38.460 -0.100 0.000 1.172 538 Y HN 0.723 nan 8.280 nan 0.000 0.529 539 G N 0.307 108.644 108.800 -0.771 0.000 2.368 539 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.233 539 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.233 539 G C 0.188 175.092 174.900 0.006 0.000 1.267 539 G CA 0.247 45.132 45.100 -0.359 0.000 0.873 539 G HN 0.540 nan 8.290 nan 0.000 0.539 540 D N -0.012 120.370 120.400 -0.031 0.000 2.751 540 D HA -0.162 4.477 4.640 -0.001 0.000 0.233 540 D C 0.210 176.500 176.300 -0.016 0.000 1.149 540 D CA 1.480 55.446 54.000 -0.057 0.000 0.682 540 D CB -0.519 40.263 40.800 -0.030 0.000 1.068 540 D HN 0.592 nan 8.370 nan 0.000 0.429 541 D N 0.783 121.192 120.400 0.014 0.000 2.545 541 D HA 0.388 5.028 4.640 -0.001 0.000 0.227 541 D C -0.112 176.048 176.300 -0.233 0.000 1.150 541 D CA -0.004 53.883 54.000 -0.188 0.000 1.046 541 D CB -0.255 40.615 40.800 0.117 0.000 1.098 541 D HN 0.426 nan 8.370 nan 0.000 0.502 542 I N 1.067 121.430 120.570 -0.346 0.000 2.692 542 I HA 0.650 4.820 4.170 -0.001 0.000 0.293 542 I C -1.725 174.197 176.117 -0.325 0.000 1.200 542 I CA -0.543 60.545 61.300 -0.353 0.000 1.036 542 I CB 1.634 39.339 38.000 -0.493 0.000 1.258 542 I HN 0.251 nan 8.210 nan 0.000 0.421 543 A N 7.177 129.992 122.820 -0.009 0.000 2.572 543 A HA 0.851 5.170 4.320 -0.001 0.000 0.295 543 A C -2.124 175.693 177.584 0.388 0.000 1.072 543 A CA -0.529 51.658 52.037 0.250 0.000 0.691 543 A CB 1.768 20.933 19.000 0.274 0.000 1.291 543 A HN 0.620 nan 8.150 nan 0.000 0.404 544 L N 0.918 122.407 121.223 0.443 0.000 2.362 544 L HA 0.635 4.974 4.340 -0.001 0.000 0.271 544 L C -1.416 175.665 176.870 0.352 0.000 1.002 544 L CA -0.903 54.193 54.840 0.427 0.000 0.818 544 L CB 1.985 44.304 42.059 0.434 0.000 1.298 544 L HN 0.541 nan 8.230 nan 0.000 0.420 545 L N 3.018 124.420 121.223 0.298 0.000 2.349 545 L HA 0.393 4.733 4.340 -0.001 0.000 0.278 545 L C -0.234 176.505 176.870 -0.218 0.000 0.996 545 L CA -0.418 54.458 54.840 0.059 0.000 0.825 545 L CB 1.577 43.672 42.059 0.061 0.000 1.243 545 L HN 0.405 nan 8.230 nan 0.000 0.412 546 K N 4.356 124.354 120.400 -0.669 0.000 2.284 546 K HA 0.448 4.768 4.320 -0.001 0.000 0.287 546 K C -0.422 175.887 176.600 -0.485 0.000 1.081 546 K CA -0.420 55.200 56.287 -1.111 0.000 0.910 546 K CB 0.375 32.034 32.500 -1.402 0.000 1.088 546 K HN 0.543 nan 8.250 nan 0.000 0.478 547 L N 3.367 124.382 121.223 -0.346 0.000 2.483 547 L HA -0.018 4.322 4.340 -0.001 0.000 0.275 547 L C 1.554 178.375 176.870 -0.082 0.000 1.220 547 L CA -0.056 54.704 54.840 -0.133 0.000 0.833 547 L CB 0.579 42.555 42.059 -0.138 0.000 1.102 547 L HN 0.844 nan 8.230 nan 0.000 0.490 548 A N 2.163 125.004 122.820 0.035 0.000 2.014 548 A HA -0.056 4.264 4.320 -0.001 0.000 0.218 548 A C 0.745 178.358 177.584 0.049 0.000 1.163 548 A CA 0.896 52.944 52.037 0.019 0.000 0.652 548 A CB -0.165 18.847 19.000 0.021 0.000 0.808 548 A HN 0.839 nan 8.150 nan 0.000 0.449 549 Q N -1.184 118.707 119.800 0.153 0.000 2.484 549 Q HA 0.602 4.941 4.340 -0.001 0.000 0.285 549 Q C -1.192 174.912 176.000 0.174 0.000 1.097 549 Q CA -1.149 54.742 55.803 0.147 0.000 0.802 549 Q CB 1.232 30.058 28.738 0.146 0.000 1.444 549 Q HN 0.116 nan 8.270 nan 0.000 0.429 550 K N 0.612 121.079 120.400 0.111 0.000 2.355 550 K HA 0.241 4.560 4.320 -0.001 0.000 0.270 550 K C -0.475 176.199 176.600 0.123 0.000 1.003 550 K CA -0.373 55.956 56.287 0.069 0.000 0.957 550 K CB 0.787 33.320 32.500 0.055 0.000 0.939 550 K HN 0.313 nan 8.250 nan 0.000 0.482 551 V N 3.532 123.442 119.914 -0.006 0.000 2.649 551 V HA 0.068 4.187 4.120 -0.001 0.000 0.292 551 V C 0.146 176.273 176.094 0.055 0.000 1.055 551 V CA -0.563 61.730 62.300 -0.011 0.000 1.023 551 V CB 1.122 32.824 31.823 -0.202 0.000 0.992 551 V HN 0.578 nan 8.190 nan 0.000 0.480 552 K N 4.919 125.376 120.400 0.096 0.000 2.258 552 K HA 0.447 4.767 4.320 -0.001 0.000 0.284 552 K C -0.232 176.395 176.600 0.046 0.000 1.051 552 K CA -0.272 56.054 56.287 0.064 0.000 0.923 552 K CB 0.733 33.273 32.500 0.066 0.000 1.046 552 K HN 0.493 nan 8.250 nan 0.000 0.474 553 M N 1.428 121.048 119.600 0.033 0.000 2.233 553 M HA 0.219 4.698 4.480 -0.001 0.000 0.350 553 M C 0.585 176.904 176.300 0.031 0.000 1.176 553 M CA 0.032 55.349 55.300 0.030 0.000 1.150 553 M CB 0.485 33.102 32.600 0.027 0.000 1.530 553 M HN 0.804 nan 8.290 nan 0.000 0.459 554 S N 0.052 115.774 115.700 0.036 0.000 2.656 554 S HA 0.275 4.744 4.470 -0.001 0.000 0.265 554 S C 0.539 175.171 174.600 0.054 0.000 1.132 554 S CA -0.103 58.123 58.200 0.043 0.000 0.819 554 S CB 0.604 63.833 63.200 0.048 0.000 1.119 554 S HN 0.760 nan 8.310 nan 0.000 0.476 555 T N -1.370 113.229 114.554 0.075 0.000 2.996 555 T HA -0.056 4.293 4.350 -0.001 0.000 0.271 555 T C 0.985 175.675 174.700 -0.015 0.000 1.126 555 T CA 2.045 64.174 62.100 0.049 0.000 1.103 555 T CB -0.687 68.237 68.868 0.093 0.000 0.870 555 T HN 0.779 nan 8.240 nan 0.000 0.528 556 H N 0.398 119.426 119.070 -0.070 0.000 3.241 556 H HA 0.699 5.255 4.556 -0.001 0.000 0.260 556 H C 0.510 175.784 175.328 -0.090 0.000 1.084 556 H CA 0.132 56.125 56.048 -0.092 0.000 1.203 556 H CB 0.934 30.655 29.762 -0.069 0.000 1.524 556 H HN 0.520 nan 8.280 nan 0.000 0.521 557 A N 1.126 123.976 122.820 0.050 0.000 2.411 557 A HA 0.754 5.074 4.320 -0.001 0.000 0.285 557 A C -0.678 176.913 177.584 0.012 0.000 1.129 557 A CA -0.635 51.407 52.037 0.009 0.000 0.736 557 A CB 1.125 20.138 19.000 0.022 0.000 1.186 557 A HN 0.222 nan 8.150 nan 0.000 0.445 558 R N 2.281 122.792 120.500 0.018 0.000 2.643 558 R HA 0.504 4.844 4.340 -0.001 0.000 0.269 558 R C -3.197 173.161 176.300 0.097 0.000 1.037 558 R CA -1.822 54.311 56.100 0.056 0.000 0.894 558 R CB 2.537 32.881 30.300 0.074 0.000 1.238 558 R HN 0.401 nan 8.270 nan 0.000 0.459 559 P HA 0.119 nan 4.420 nan 0.000 0.272 559 P C -0.364 176.970 177.300 0.056 0.000 1.230 559 P CA -0.303 62.837 63.100 0.066 0.000 0.788 559 P CB 0.640 32.350 31.700 0.017 0.000 0.949 560 I N 1.381 121.927 120.570 -0.040 0.000 2.764 560 I HA 0.149 4.318 4.170 -0.001 0.000 0.294 560 I C -0.303 175.645 176.117 -0.281 0.000 1.045 560 I CA -0.402 60.690 61.300 -0.347 0.000 1.340 560 I CB 0.606 38.098 38.000 -0.846 0.000 1.436 560 I HN 0.333 nan 8.210 nan 0.000 0.567 561 c N 6.751 125.123 118.600 -0.381 0.000 2.601 561 c HA 0.399 4.969 4.570 -0.001 0.000 0.409 561 c C -0.049 173.960 174.090 -0.136 0.000 1.293 561 c CA -0.684 55.484 56.329 -0.269 0.000 2.101 561 c CB 0.034 42.305 42.510 -0.398 0.000 2.639 561 c HN 0.424 nan 8.230 nan 0.000 0.592 562 L N 5.892 127.074 121.223 -0.069 0.000 2.309 562 L HA 0.545 4.884 4.340 -0.001 0.000 0.282 562 L C -1.723 175.175 176.870 0.046 0.000 1.036 562 L CA -1.988 52.826 54.840 -0.044 0.000 0.806 562 L CB 0.817 42.819 42.059 -0.094 0.000 1.220 562 L HN 0.461 nan 8.230 nan 0.000 0.429 563 P HA 0.072 nan 4.420 nan 0.000 0.272 563 P C 0.046 177.475 177.300 0.215 0.000 1.240 563 P CA -0.177 63.013 63.100 0.150 0.000 0.791 563 P CB 0.491 32.157 31.700 -0.057 0.000 0.978 564 c N -1.833 117.068 118.600 0.502 0.000 4.475 564 c HA -0.100 4.469 4.570 -0.001 0.000 0.280 564 c C 0.901 175.055 174.090 0.107 0.000 1.338 564 c CA 1.036 57.484 56.329 0.197 0.000 1.893 564 c CB -3.365 39.287 42.510 0.236 0.000 1.299 564 c HN 0.893 nan 8.230 nan 0.000 0.767 565 T N -3.747 110.844 114.554 0.062 0.000 2.932 565 T HA 0.704 5.053 4.350 -0.001 0.000 0.289 565 T C 0.526 175.255 174.700 0.048 0.000 1.039 565 T CA -0.377 61.665 62.100 -0.098 0.000 1.024 565 T CB 1.567 70.288 68.868 -0.245 0.000 1.090 565 T HN 0.079 nan 8.240 nan 0.000 0.496 566 M N 0.610 120.213 119.600 0.005 0.000 2.175 566 M HA 0.020 4.499 4.480 -0.001 0.000 0.264 566 M C 1.918 178.256 176.300 0.064 0.000 1.063 566 M CA 1.698 57.025 55.300 0.045 0.000 1.119 566 M CB -0.637 31.973 32.600 0.017 0.000 1.377 566 M HN 0.842 nan 8.290 nan 0.000 0.415 567 E N -0.053 120.165 120.200 0.030 0.000 2.058 567 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 567 E C 1.992 178.643 176.600 0.086 0.000 0.997 567 E CA 1.762 58.182 56.400 0.035 0.000 0.801 567 E CB -0.554 29.139 29.700 -0.013 0.000 0.746 567 E HN 0.588 nan 8.360 nan 0.000 0.450 568 A N 1.072 123.970 122.820 0.129 0.000 1.902 568 A HA -0.285 4.035 4.320 -0.001 0.000 0.217 568 A C 2.090 179.777 177.584 0.172 0.000 1.181 568 A CA 1.770 53.957 52.037 0.251 0.000 0.623 568 A CB -0.843 18.310 19.000 0.256 0.000 0.818 568 A HN 0.297 nan 8.150 nan 0.000 0.443 569 N N -0.486 118.368 118.700 0.256 0.000 2.061 569 N HA -0.209 4.531 4.740 -0.001 0.000 0.193 569 N C 1.776 177.355 175.510 0.116 0.000 1.030 569 N CA 1.899 55.092 53.050 0.239 0.000 0.856 569 N CB -0.184 38.461 38.487 0.264 0.000 1.023 569 N HN 0.395 nan 8.380 nan 0.000 0.424 570 L N 1.284 122.570 121.223 0.104 0.000 2.044 570 L HA 0.049 4.389 4.340 -0.001 0.000 0.205 570 L C 2.360 179.280 176.870 0.085 0.000 1.075 570 L CA 1.766 56.654 54.840 0.080 0.000 0.747 570 L CB -1.051 41.050 42.059 0.070 0.000 0.903 570 L HN 0.135 nan 8.230 nan 0.000 0.435 571 A N -0.392 122.497 122.820 0.115 0.000 1.986 571 A HA -0.188 4.132 4.320 -0.001 0.000 0.220 571 A C 2.185 179.865 177.584 0.160 0.000 1.171 571 A CA 2.149 54.278 52.037 0.155 0.000 0.640 571 A CB -0.964 18.158 19.000 0.204 0.000 0.811 571 A HN 0.529 nan 8.150 nan 0.000 0.451 572 L N -2.344 118.926 121.223 0.078 0.000 2.558 572 L HA 0.119 4.459 4.340 -0.001 0.000 0.225 572 L C 0.742 177.587 176.870 -0.042 0.000 1.128 572 L CA 0.039 54.839 54.840 -0.067 0.000 0.868 572 L CB -0.104 41.790 42.059 -0.275 0.000 1.006 572 L HN 0.358 nan 8.230 nan 0.000 0.454 573 R N 0.652 121.156 120.500 0.006 0.000 3.336 573 R HA -0.139 4.201 4.340 -0.001 0.000 0.260 573 R C -0.299 175.999 176.300 -0.003 0.000 1.032 573 R CA 0.301 56.404 56.100 0.004 0.000 0.693 573 R CB -1.161 29.130 30.300 -0.014 0.000 1.134 573 R HN 0.235 nan 8.270 nan 0.000 0.433 574 R N 0.029 120.540 120.500 0.018 0.000 2.674 574 R HA 0.435 4.775 4.340 -0.001 0.000 0.266 574 R C -2.117 174.207 176.300 0.039 0.000 1.016 574 R CA -2.290 53.826 56.100 0.027 0.000 1.062 574 R CB 0.260 30.601 30.300 0.068 0.000 1.142 574 R HN -0.100 nan 8.270 nan 0.000 0.517 575 P HA 0.032 nan 4.420 nan 0.000 0.268 575 P C 0.534 177.852 177.300 0.030 0.000 1.208 575 P CA -0.123 62.990 63.100 0.022 0.000 0.777 575 P CB 0.614 32.320 31.700 0.011 0.000 0.875 576 Q N 1.485 121.299 119.800 0.024 0.000 2.181 576 Q HA -0.085 4.254 4.340 -0.001 0.000 0.205 576 Q C 1.719 177.726 176.000 0.013 0.000 0.980 576 Q CA 1.898 57.715 55.803 0.024 0.000 0.862 576 Q CB -0.668 28.082 28.738 0.022 0.000 0.905 576 Q HN 0.693 nan 8.270 nan 0.000 0.429 577 G N 0.584 109.387 108.800 0.005 0.000 3.383 577 G HA2 0.121 4.081 3.960 -0.001 0.000 0.251 577 G HA3 0.121 4.081 3.960 -0.001 0.000 0.251 577 G C 0.022 174.912 174.900 -0.017 0.000 1.203 577 G CA -0.259 44.838 45.100 -0.005 0.000 0.852 577 G HN 0.047 nan 8.290 nan 0.000 0.531 578 S N 0.563 116.252 115.700 -0.019 0.000 2.563 578 S HA 0.337 4.807 4.470 -0.001 0.000 0.284 578 S C 0.965 175.498 174.600 -0.112 0.000 1.331 578 S CA 0.241 58.411 58.200 -0.049 0.000 1.047 578 S CB 0.967 64.153 63.200 -0.024 0.000 0.859 578 S HN 0.611 nan 8.310 nan 0.000 0.514 579 T N -1.797 112.689 114.554 -0.113 0.000 2.922 579 T HA 0.281 4.631 4.350 -0.001 0.000 0.281 579 T C 1.208 175.812 174.700 -0.161 0.000 1.005 579 T CA -0.753 61.283 62.100 -0.105 0.000 0.982 579 T CB 0.770 69.608 68.868 -0.050 0.000 1.158 579 T HN 0.588 nan 8.240 nan 0.000 0.566 580 c N 0.271 118.831 118.600 -0.067 0.000 2.440 580 c HA 0.052 4.622 4.570 -0.001 0.000 0.278 580 c C 2.913 177.055 174.090 0.087 0.000 1.295 580 c CA 1.230 57.588 56.329 0.048 0.000 1.738 580 c CB -1.425 41.163 42.510 0.130 0.000 1.987 580 c HN 1.082 nan 8.230 nan 0.000 0.492 581 R N 1.424 121.931 120.500 0.011 0.000 2.091 581 R HA -0.101 4.238 4.340 -0.001 0.000 0.238 581 R C 1.709 177.978 176.300 -0.052 0.000 1.136 581 R CA 2.459 58.535 56.100 -0.042 0.000 0.959 581 R CB -0.942 29.334 30.300 -0.041 0.000 0.856 581 R HN 0.530 nan 8.270 nan 0.000 0.437 582 D N -0.516 119.872 120.400 -0.019 0.000 2.117 582 D HA -0.155 4.485 4.640 -0.001 0.000 0.197 582 D C 1.793 178.153 176.300 0.100 0.000 0.987 582 D CA 1.316 55.325 54.000 0.015 0.000 0.829 582 D CB -0.468 40.345 40.800 0.022 0.000 0.961 582 D HN 0.371 nan 8.370 nan 0.000 0.460 583 H N 0.866 119.934 119.070 -0.004 0.000 2.352 583 H HA -0.072 4.483 4.556 -0.001 0.000 0.299 583 H C 2.024 177.315 175.328 -0.060 0.000 1.097 583 H CA 1.261 57.333 56.048 0.040 0.000 1.311 583 H CB -0.277 29.614 29.762 0.215 0.000 1.377 583 H HN 0.345 nan 8.280 nan 0.000 0.504 584 E N 0.146 120.227 120.200 -0.199 0.000 2.051 584 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 584 E C 1.804 178.152 176.600 -0.419 0.000 0.991 584 E CA 1.022 56.919 56.400 -0.838 0.000 0.799 584 E CB 0.171 29.244 29.700 -1.045 0.000 0.748 584 E HN 0.380 nan 8.360 nan 0.000 0.449 585 N N 0.796 119.354 118.700 -0.237 0.000 2.069 585 N HA -0.210 4.529 4.740 -0.001 0.000 0.191 585 N C 1.756 177.188 175.510 -0.130 0.000 1.031 585 N CA 1.373 54.330 53.050 -0.156 0.000 0.852 585 N CB -0.495 37.931 38.487 -0.102 0.000 1.018 585 N HN 0.212 nan 8.380 nan 0.000 0.423 586 E N 0.882 121.016 120.200 -0.110 0.000 2.070 586 E HA -0.073 4.277 4.350 -0.001 0.000 0.197 586 E C 1.893 178.398 176.600 -0.158 0.000 1.004 586 E CA 1.112 57.435 56.400 -0.128 0.000 0.805 586 E CB -0.222 29.390 29.700 -0.146 0.000 0.744 586 E HN 0.344 nan 8.360 nan 0.000 0.451 587 L N -0.974 120.156 121.223 -0.154 0.000 2.253 587 L HA 0.160 4.499 4.340 -0.001 0.000 0.205 587 L C 1.016 177.836 176.870 -0.083 0.000 1.078 587 L CA 0.320 55.084 54.840 -0.127 0.000 0.805 587 L CB 0.273 42.315 42.059 -0.028 0.000 0.963 587 L HN 0.108 nan 8.230 nan 0.000 0.459 588 L N -0.038 121.117 121.223 -0.113 0.000 3.168 588 L HA 0.185 4.524 4.340 -0.001 0.000 0.277 588 L C 1.056 177.865 176.870 -0.101 0.000 1.308 588 L CA -0.110 54.675 54.840 -0.093 0.000 0.976 588 L CB -0.031 41.959 42.059 -0.115 0.000 1.383 588 L HN 0.272 nan 8.230 nan 0.000 0.572 589 N N -0.675 117.969 118.700 -0.093 0.000 2.300 589 N HA -0.048 4.691 4.740 -0.001 0.000 0.179 589 N C 0.583 176.058 175.510 -0.058 0.000 1.016 589 N CA 0.127 53.128 53.050 -0.082 0.000 0.876 589 N CB 0.273 38.711 38.487 -0.081 0.000 0.979 589 N HN 0.289 nan 8.380 nan 0.000 0.432 590 K N 0.623 120.994 120.400 -0.048 0.000 2.126 590 K HA 0.110 4.430 4.320 -0.001 0.000 0.257 590 K C 0.508 177.098 176.600 -0.016 0.000 1.007 590 K CA -0.280 55.987 56.287 -0.033 0.000 0.928 590 K CB 1.055 33.534 32.500 -0.035 0.000 1.013 590 K HN 0.100 nan 8.250 nan 0.000 0.473 591 Q N -0.034 119.762 119.800 -0.006 0.000 2.378 591 Q HA -0.030 4.309 4.340 -0.001 0.000 0.205 591 Q C 0.047 176.060 176.000 0.022 0.000 0.954 591 Q CA 0.661 56.474 55.803 0.015 0.000 0.901 591 Q CB 0.460 29.209 28.738 0.018 0.000 0.981 591 Q HN 0.303 nan 8.270 nan 0.000 0.483 592 S N -0.010 115.693 115.700 0.004 0.000 2.779 592 S HA 0.405 4.875 4.470 -0.001 0.000 0.293 592 S C -1.208 173.383 174.600 -0.016 0.000 1.150 592 S CA -0.684 57.517 58.200 0.001 0.000 1.057 592 S CB 1.185 64.381 63.200 -0.007 0.000 1.021 592 S HN -0.067 nan 8.310 nan 0.000 0.485 593 V N 7.346 127.251 119.914 -0.015 0.000 2.334 593 V HA 0.442 4.561 4.120 -0.001 0.000 0.281 593 V C -2.320 173.733 176.094 -0.067 0.000 1.016 593 V CA -2.088 60.191 62.300 -0.035 0.000 0.832 593 V CB 1.176 32.987 31.823 -0.020 0.000 0.999 593 V HN 0.657 nan 8.190 nan 0.000 0.439 594 P HA 0.325 nan 4.420 nan 0.000 0.264 594 P C -0.260 176.888 177.300 -0.253 0.000 1.193 594 P CA 0.548 63.553 63.100 -0.160 0.000 0.763 594 P CB 0.817 32.433 31.700 -0.141 0.000 0.810 595 A N 3.126 125.718 122.820 -0.379 0.000 2.524 595 A HA 0.807 5.127 4.320 -0.001 0.000 0.289 595 A C -1.255 175.826 177.584 -0.838 0.000 1.248 595 A CA -0.408 51.312 52.037 -0.528 0.000 0.712 595 A CB 1.268 20.121 19.000 -0.244 0.000 1.312 595 A HN 0.583 nan 8.150 nan 0.000 0.441 596 H N -1.201 117.557 119.070 -0.521 0.000 2.928 596 H HA 0.698 5.253 4.556 -0.000 0.000 0.371 596 H C -1.566 173.457 175.328 -0.507 0.000 1.186 596 H CA -0.195 55.441 56.048 -0.686 0.000 1.134 596 H CB 1.772 30.807 29.762 -1.212 0.000 1.824 596 H HN 0.780 nan 8.280 nan 0.000 0.554 597 F N -1.388 118.504 119.950 -0.097 0.000 2.626 597 F HA 0.613 5.139 4.527 -0.000 0.000 0.311 597 F C -1.444 174.462 175.800 0.177 0.000 1.088 597 F CA -1.113 56.956 58.000 0.115 0.000 0.949 597 F CB 0.632 39.657 39.000 0.042 0.000 1.322 597 F HN 0.138 nan 8.300 nan 0.000 0.461 598 V N 2.984 123.083 119.914 0.308 0.000 2.407 598 V HA 0.663 4.783 4.120 -0.001 0.000 0.278 598 V C 0.705 176.860 176.094 0.102 0.000 1.037 598 V CA -0.446 61.845 62.300 -0.016 0.000 0.900 598 V CB 0.799 32.372 31.823 -0.417 0.000 0.983 598 V HN 1.165 nan 8.190 nan 0.000 0.459 599 A N 4.716 127.527 122.820 -0.016 0.000 2.475 599 A HA 0.309 4.629 4.320 -0.001 0.000 0.239 599 A C 1.333 178.958 177.584 0.069 0.000 1.087 599 A CA -0.065 52.018 52.037 0.078 0.000 0.779 599 A CB 0.062 19.064 19.000 0.003 0.000 1.036 599 A HN 0.907 nan 8.150 nan 0.000 0.506 600 L N 0.512 121.795 121.223 0.100 0.000 2.043 600 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 600 L C 2.381 179.284 176.870 0.055 0.000 1.075 600 L CA 2.015 56.908 54.840 0.089 0.000 0.752 600 L CB -0.644 41.459 42.059 0.073 0.000 0.891 600 L HN 1.001 nan 8.230 nan 0.000 0.432 601 N N 0.116 118.829 118.700 0.022 0.000 2.520 601 N HA -0.078 4.661 4.740 -0.001 0.000 0.185 601 N C 1.286 176.765 175.510 -0.052 0.000 1.068 601 N CA 1.238 54.282 53.050 -0.009 0.000 0.911 601 N CB -0.033 38.446 38.487 -0.013 0.000 0.961 601 N HN 0.354 nan 8.380 nan 0.000 0.446 602 G N -1.728 107.022 108.800 -0.083 0.000 2.184 602 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.206 602 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.206 602 G C -0.134 174.641 174.900 -0.207 0.000 0.995 602 G CA 0.117 45.115 45.100 -0.170 0.000 0.651 602 G HN 0.442 nan 8.290 nan 0.000 0.511 603 S N 0.335 115.945 115.700 -0.151 0.000 2.572 603 S HA 0.420 4.889 4.470 -0.001 0.000 0.279 603 S C 0.431 174.917 174.600 -0.190 0.000 1.341 603 S CA 0.180 58.289 58.200 -0.153 0.000 1.043 603 S CB 1.423 64.554 63.200 -0.114 0.000 0.887 603 S HN 0.554 nan 8.310 nan 0.000 0.516 604 K N 3.251 123.542 120.400 -0.181 0.000 2.262 604 K HA 0.399 4.718 4.320 -0.001 0.000 0.282 604 K C -0.851 175.609 176.600 -0.233 0.000 1.066 604 K CA -0.280 55.895 56.287 -0.187 0.000 0.901 604 K CB 0.162 32.567 32.500 -0.158 0.000 1.089 604 K HN 0.497 nan 8.250 nan 0.000 0.476 605 L N 2.938 123.922 121.223 -0.398 0.000 2.331 605 L HA 0.466 4.806 4.340 -0.001 0.000 0.268 605 L C -0.202 176.473 176.870 -0.324 0.000 1.015 605 L CA -1.402 53.165 54.840 -0.455 0.000 0.807 605 L CB 1.495 43.059 42.059 -0.825 0.000 1.293 605 L HN 0.652 nan 8.230 nan 0.000 0.451 606 N N 1.570 120.157 118.700 -0.188 0.000 2.314 606 N HA 0.721 5.461 4.740 -0.001 0.000 0.304 606 N C -1.019 174.449 175.510 -0.070 0.000 1.073 606 N CA -0.414 52.581 53.050 -0.092 0.000 0.822 606 N CB 2.487 40.958 38.487 -0.027 0.000 1.280 606 N HN 0.551 nan 8.380 nan 0.000 0.489 607 I N -1.868 118.641 120.570 -0.101 0.000 3.095 607 I HA 0.607 4.777 4.170 -0.001 0.000 0.310 607 I C -1.396 174.673 176.117 -0.080 0.000 1.196 607 I CA -0.996 60.290 61.300 -0.024 0.000 0.985 607 I CB 2.555 40.603 38.000 0.079 0.000 1.250 607 I HN 0.217 nan 8.210 nan 0.000 0.446 608 N N 3.355 122.031 118.700 -0.040 0.000 2.399 608 N HA 0.574 5.313 4.740 -0.001 0.000 0.280 608 N C -1.336 174.170 175.510 -0.006 0.000 1.008 608 N CA -0.587 52.437 53.050 -0.043 0.000 0.894 608 N CB 2.271 40.737 38.487 -0.036 0.000 1.273 608 N HN 0.449 nan 8.380 nan 0.000 0.486 609 L N 2.392 123.619 121.223 0.007 0.000 2.331 609 L HA 0.341 4.681 4.340 -0.001 0.000 0.278 609 L C 0.179 177.095 176.870 0.077 0.000 1.106 609 L CA -0.426 54.454 54.840 0.067 0.000 0.824 609 L CB 0.391 42.499 42.059 0.083 0.000 1.142 609 L HN 0.285 nan 8.230 nan 0.000 0.443 610 K N 5.028 125.497 120.400 0.115 0.000 2.213 610 K HA 0.619 4.938 4.320 -0.001 0.000 0.270 610 K C -0.537 176.219 176.600 0.261 0.000 1.002 610 K CA -0.411 55.955 56.287 0.132 0.000 0.868 610 K CB 1.900 34.446 32.500 0.075 0.000 1.093 610 K HN 0.420 nan 8.250 nan 0.000 0.454 611 M N 0.599 120.313 119.600 0.189 0.000 2.591 611 M HA 0.422 4.901 4.480 -0.001 0.000 0.306 611 M C 0.921 177.304 176.300 0.138 0.000 1.190 611 M CA -0.490 54.903 55.300 0.156 0.000 0.889 611 M CB 1.136 33.769 32.600 0.054 0.000 1.728 611 M HN 0.780 nan 8.290 nan 0.000 0.458 612 G N 1.281 110.141 108.800 0.099 0.000 2.561 612 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.289 612 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.289 612 G C 0.562 175.550 174.900 0.146 0.000 1.169 612 G CA 0.247 45.392 45.100 0.075 0.000 0.980 612 G HN 0.531 nan 8.290 nan 0.000 0.550 613 V N 1.589 121.565 119.914 0.103 0.000 2.809 613 V HA 0.010 4.129 4.120 -0.001 0.000 0.256 613 V C 2.486 178.653 176.094 0.121 0.000 1.080 613 V CA 2.728 65.093 62.300 0.108 0.000 1.102 613 V CB -0.291 31.569 31.823 0.062 0.000 0.705 613 V HN 0.644 nan 8.190 nan 0.000 0.475 614 E N -1.366 118.905 120.200 0.118 0.000 2.358 614 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 614 E C 1.819 178.501 176.600 0.136 0.000 1.010 614 E CA 0.711 57.167 56.400 0.094 0.000 0.856 614 E CB -0.053 29.685 29.700 0.062 0.000 0.795 614 E HN 0.807 nan 8.360 nan 0.000 0.504 615 W N 1.592 122.906 121.300 0.024 0.000 2.381 615 W HA -0.141 4.518 4.660 -0.001 0.000 0.301 615 W C 2.051 178.603 176.519 0.055 0.000 1.205 615 W CA 1.734 59.106 57.345 0.045 0.000 1.285 615 W CB -0.118 29.373 29.460 0.053 0.000 1.133 615 W HN -0.128 nan 8.180 nan 0.000 0.521 616 T N -0.179 114.539 114.554 0.272 0.000 2.708 616 T HA -0.249 4.101 4.350 -0.001 0.000 0.266 616 T C 1.993 176.665 174.700 -0.048 0.000 1.037 616 T CA 2.347 64.516 62.100 0.115 0.000 1.146 616 T CB -0.805 68.187 68.868 0.206 0.000 0.865 616 T HN 0.321 nan 8.240 nan 0.000 0.435 617 S N 0.535 116.224 115.700 -0.018 0.000 2.387 617 S HA -0.102 4.368 4.470 -0.001 0.000 0.226 617 S C 2.378 176.926 174.600 -0.086 0.000 1.026 617 S CA 0.831 59.008 58.200 -0.037 0.000 0.972 617 S CB -1.220 61.974 63.200 -0.010 0.000 0.814 617 S HN 0.604 nan 8.310 nan 0.000 0.477 618 c N 2.191 120.717 118.600 -0.124 0.000 2.413 618 c HA 0.112 4.681 4.570 -0.001 0.000 0.276 618 c C 3.085 177.058 174.090 -0.195 0.000 1.248 618 c CA 1.124 57.352 56.329 -0.169 0.000 1.742 618 c CB -1.702 40.685 42.510 -0.204 0.000 2.017 618 c HN 0.703 nan 8.230 nan 0.000 0.481 619 A N -0.475 122.158 122.820 -0.311 0.000 2.021 619 A HA -0.041 4.279 4.320 -0.001 0.000 0.216 619 A C 2.238 179.719 177.584 -0.172 0.000 1.163 619 A CA 1.277 53.127 52.037 -0.311 0.000 0.676 619 A CB -0.728 17.763 19.000 -0.849 0.000 0.818 619 A HN 0.705 nan 8.150 nan 0.000 0.453 620 E N 0.904 121.023 120.200 -0.135 0.000 2.114 620 E HA -0.201 4.149 4.350 -0.001 0.000 0.199 620 E C 2.061 178.650 176.600 -0.018 0.000 1.008 620 E CA 2.169 58.530 56.400 -0.064 0.000 0.810 620 E CB -0.464 29.210 29.700 -0.042 0.000 0.739 620 E HN 0.619 nan 8.360 nan 0.000 0.456 621 V N 0.270 120.183 119.914 -0.003 0.000 2.794 621 V HA -0.215 3.904 4.120 -0.001 0.000 0.260 621 V C 2.522 178.671 176.094 0.092 0.000 1.103 621 V CA 1.867 64.186 62.300 0.033 0.000 1.125 621 V CB -1.508 30.324 31.823 0.015 0.000 0.702 621 V HN 0.236 nan 8.190 nan 0.000 0.494 622 V N 0.377 120.358 119.914 0.111 0.000 2.720 622 V HA -0.131 3.988 4.120 -0.001 0.000 0.256 622 V C 2.666 178.879 176.094 0.200 0.000 1.082 622 V CA 1.996 64.420 62.300 0.206 0.000 1.101 622 V CB -1.451 30.424 31.823 0.087 0.000 0.693 622 V HN 0.813 nan 8.190 nan 0.000 0.479 623 S N -0.049 115.711 115.700 0.100 0.000 2.500 623 S HA -0.209 4.260 4.470 -0.001 0.000 0.239 623 S C 1.820 176.478 174.600 0.097 0.000 0.989 623 S CA 1.469 59.724 58.200 0.091 0.000 0.951 623 S CB -0.635 62.593 63.200 0.047 0.000 0.759 623 S HN 0.774 nan 8.310 nan 0.000 0.523 624 Q N 0.348 120.207 119.800 0.099 0.000 2.432 624 Q HA 0.146 4.486 4.340 -0.001 0.000 0.205 624 Q C 0.320 176.372 176.000 0.087 0.000 0.945 624 Q CA 0.630 56.479 55.803 0.076 0.000 0.924 624 Q CB 0.074 28.846 28.738 0.056 0.000 1.016 624 Q HN 0.546 nan 8.270 nan 0.000 0.503 625 E N 1.012 121.299 120.200 0.144 0.000 2.079 625 E HA 0.044 4.393 4.350 -0.001 0.000 0.252 625 E C 0.068 176.711 176.600 0.071 0.000 0.992 625 E CA -0.064 56.400 56.400 0.106 0.000 0.829 625 E CB 0.238 30.043 29.700 0.174 0.000 1.158 625 E HN -0.167 nan 8.360 nan 0.000 0.435 626 K N 1.911 122.329 120.400 0.030 0.000 2.379 626 K HA 0.087 4.407 4.320 -0.001 0.000 0.194 626 K C 0.992 177.578 176.600 -0.023 0.000 1.031 626 K CA 0.434 56.738 56.287 0.028 0.000 1.037 626 K CB 0.382 32.900 32.500 0.030 0.000 0.824 626 K HN 0.345 nan 8.250 nan 0.000 0.516 627 T N 1.200 115.712 114.554 -0.071 0.000 2.896 627 T HA -0.053 4.296 4.350 -0.001 0.000 0.263 627 T C 1.725 176.325 174.700 -0.167 0.000 1.050 627 T CA 0.955 63.000 62.100 -0.091 0.000 1.140 627 T CB 0.004 68.826 68.868 -0.077 0.000 0.877 627 T HN 0.018 nan 8.240 nan 0.000 0.457 628 M N 0.276 119.656 119.600 -0.366 0.000 2.394 628 M HA 0.319 4.799 4.480 -0.001 0.000 0.266 628 M C -0.337 175.679 176.300 -0.473 0.000 1.098 628 M CA 1.028 55.962 55.300 -0.611 0.000 1.149 628 M CB 0.160 32.066 32.600 -1.155 0.000 1.369 628 M HN 0.131 nan 8.290 nan 0.000 0.450 629 F N 0.019 119.979 119.950 0.017 0.000 2.542 629 F HA 0.390 4.917 4.527 -0.001 0.000 0.323 629 F C -1.737 174.065 175.800 0.003 0.000 1.411 629 F CA -1.768 56.234 58.000 0.004 0.000 1.124 629 F CB 0.153 39.160 39.000 0.012 0.000 1.331 629 F HN 0.049 nan 8.300 nan 0.000 0.560 630 P HA -0.155 nan 4.420 nan 0.000 0.222 630 P C 0.270 177.607 177.300 0.061 0.000 1.147 630 P CA 1.288 64.425 63.100 0.061 0.000 0.790 630 P CB 0.314 32.029 31.700 0.026 0.000 0.780 631 N N -0.118 118.624 118.700 0.069 0.000 2.813 631 N HA 0.204 4.944 4.740 -0.001 0.000 0.282 631 N C -1.440 174.092 175.510 0.035 0.000 1.748 631 N CA -0.564 52.510 53.050 0.040 0.000 0.860 631 N CB -0.498 37.999 38.487 0.018 0.000 1.204 631 N HN -0.141 nan 8.380 nan 0.000 0.490 632 L N 2.114 123.366 121.223 0.049 0.000 2.283 632 L HA 0.447 4.786 4.340 -0.001 0.000 0.281 632 L C 1.504 178.379 176.870 0.010 0.000 1.033 632 L CA -0.131 54.721 54.840 0.019 0.000 0.848 632 L CB 0.578 42.659 42.059 0.037 0.000 1.226 632 L HN 0.436 nan 8.230 nan 0.000 0.429 633 T N 0.329 114.880 114.554 -0.006 0.000 2.732 633 T HA -0.013 4.337 4.350 -0.001 0.000 0.261 633 T C 0.582 175.281 174.700 -0.002 0.000 1.040 633 T CA 0.755 62.854 62.100 -0.003 0.000 1.145 633 T CB -0.119 68.744 68.868 -0.008 0.000 0.866 633 T HN 0.503 nan 8.240 nan 0.000 0.427 634 D N 0.167 120.561 120.400 -0.010 0.000 2.391 634 D HA 0.364 5.003 4.640 -0.001 0.000 0.245 634 D C 1.261 177.552 176.300 -0.015 0.000 1.069 634 D CA -0.684 53.315 54.000 -0.001 0.000 0.831 634 D CB 2.181 42.986 40.800 0.010 0.000 1.204 634 D HN -0.043 nan 8.370 nan 0.000 0.503 635 V N 4.547 124.453 119.914 -0.014 0.000 2.353 635 V HA -0.312 3.808 4.120 -0.001 0.000 0.260 635 V C 2.195 178.276 176.094 -0.021 0.000 1.091 635 V CA 1.778 64.053 62.300 -0.041 0.000 1.088 635 V CB -0.351 31.450 31.823 -0.036 0.000 0.672 635 V HN 0.566 nan 8.190 nan 0.000 0.455 636 R N -0.242 120.288 120.500 0.051 0.000 2.307 636 R HA -0.016 4.323 4.340 -0.001 0.000 0.199 636 R C 1.898 178.260 176.300 0.104 0.000 1.000 636 R CA 0.377 56.552 56.100 0.126 0.000 1.023 636 R CB -0.463 29.927 30.300 0.150 0.000 0.908 636 R HN 0.603 nan 8.270 nan 0.000 0.473 637 E N 0.530 120.739 120.200 0.014 0.000 2.274 637 E HA -0.081 4.269 4.350 -0.001 0.000 0.194 637 E C 1.896 178.494 176.600 -0.003 0.000 0.996 637 E CA 1.160 57.533 56.400 -0.045 0.000 0.840 637 E CB 0.171 29.803 29.700 -0.113 0.000 0.772 637 E HN 0.315 nan 8.360 nan 0.000 0.491 638 V N -2.525 117.371 119.914 -0.030 0.000 2.911 638 V HA 0.135 4.255 4.120 -0.001 0.000 0.237 638 V C 1.182 177.289 176.094 0.022 0.000 1.156 638 V CA -0.113 62.144 62.300 -0.072 0.000 1.180 638 V CB 0.079 31.499 31.823 -0.671 0.000 0.932 638 V HN -0.108 nan 8.190 nan 0.000 0.483 639 V N 4.229 124.115 119.914 -0.047 0.000 2.247 639 V HA 0.441 4.561 4.120 -0.001 0.000 0.262 639 V C 0.739 177.065 176.094 0.387 0.000 1.096 639 V CA 0.406 62.696 62.300 -0.016 0.000 0.895 639 V CB -0.491 31.089 31.823 -0.405 0.000 1.141 639 V HN 0.739 nan 8.190 nan 0.000 0.478 640 T N -0.166 114.748 114.554 0.601 0.000 2.788 640 T HA 0.165 4.514 4.350 -0.001 0.000 0.280 640 T C 1.156 176.167 174.700 0.519 0.000 0.984 640 T CA 0.064 62.471 62.100 0.512 0.000 0.972 640 T CB 0.958 70.098 68.868 0.454 0.000 1.039 640 T HN 0.626 nan 8.240 nan 0.000 0.530 641 D N -0.508 120.025 120.400 0.221 0.000 2.354 641 D HA -0.184 4.456 4.640 -0.001 0.000 0.216 641 D C 1.575 177.882 176.300 0.011 0.000 0.970 641 D CA 1.016 55.015 54.000 -0.002 0.000 0.905 641 D CB -0.481 40.264 40.800 -0.092 0.000 0.903 641 D HN 0.726 nan 8.370 nan 0.000 0.508 642 Q N -1.145 118.661 119.800 0.010 0.000 2.435 642 Q HA 0.063 4.402 4.340 -0.001 0.000 0.207 642 Q C -0.254 175.539 176.000 -0.345 0.000 0.956 642 Q CA 0.337 56.001 55.803 -0.231 0.000 0.917 642 Q CB 0.080 28.556 28.738 -0.437 0.000 0.997 642 Q HN 0.340 nan 8.270 nan 0.000 0.497 643 F N 0.325 120.441 119.950 0.276 0.000 2.458 643 F HA 0.322 4.848 4.527 -0.001 0.000 0.336 643 F C 0.074 176.165 175.800 0.485 0.000 1.114 643 F CA -1.043 57.165 58.000 0.346 0.000 0.987 643 F CB 0.909 40.115 39.000 0.343 0.000 1.130 643 F HN -0.186 nan 8.300 nan 0.000 0.458 644 L N 2.385 123.934 121.223 0.543 0.000 2.473 644 L HA 0.218 4.557 4.340 -0.001 0.000 0.268 644 L C -0.045 177.085 176.870 0.433 0.000 1.215 644 L CA -0.147 55.026 54.840 0.554 0.000 0.823 644 L CB 0.475 42.810 42.059 0.460 0.000 1.099 644 L HN 0.673 nan 8.230 nan 0.000 0.483 645 c N 1.997 120.781 118.600 0.307 0.000 2.397 645 c HA 0.753 5.323 4.570 -0.001 0.000 0.325 645 c C 0.098 174.151 174.090 -0.062 0.000 1.201 645 c CA -0.178 56.102 56.329 -0.081 0.000 1.377 645 c CB 0.381 42.723 42.510 -0.279 0.000 2.038 645 c HN 0.955 nan 8.230 nan 0.000 0.457 646 S N 3.137 118.725 115.700 -0.186 0.000 2.840 646 S HA 0.914 5.384 4.470 -0.001 0.000 0.307 646 S C 0.323 174.784 174.600 -0.232 0.000 1.180 646 S CA 0.258 58.402 58.200 -0.094 0.000 0.846 646 S CB 1.185 64.441 63.200 0.092 0.000 1.233 646 S HN 2.403 nan 8.310 nan 0.000 0.548 647 G N 0.263 108.988 108.800 -0.125 0.000 2.184 647 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.206 647 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.206 647 G C 0.214 175.051 174.900 -0.106 0.000 0.995 647 G CA 0.358 45.383 45.100 -0.125 0.000 0.651 647 G HN 1.710 nan 8.290 nan 0.000 0.511 648 T N -1.359 113.136 114.554 -0.099 0.000 2.868 648 T HA 0.587 4.936 4.350 -0.001 0.000 0.292 648 T C 0.991 175.661 174.700 -0.051 0.000 1.028 648 T CA 1.099 63.152 62.100 -0.079 0.000 1.059 648 T CB 1.526 70.350 68.868 -0.073 0.000 0.991 648 T HN 1.042 nan 8.240 nan 0.000 0.531 649 Q N 0.242 120.015 119.800 -0.046 0.000 1.918 649 Q HA -0.228 4.111 4.340 -0.001 0.000 0.390 649 Q C 0.915 176.899 176.000 -0.026 0.000 0.761 649 Q CA 1.662 57.444 55.803 -0.035 0.000 0.885 649 Q CB -1.299 27.421 28.738 -0.029 0.000 3.219 649 Q HN 0.831 nan 8.270 nan 0.000 0.778 650 E N 1.487 121.676 120.200 -0.018 0.000 2.494 650 E HA 0.098 4.447 4.350 -0.001 0.000 0.193 650 E C -0.511 176.091 176.600 0.004 0.000 1.074 650 E CA 0.319 56.715 56.400 -0.008 0.000 0.867 650 E CB -0.249 29.446 29.700 -0.008 0.000 0.924 650 E HN 0.257 nan 8.360 nan 0.000 0.502 651 D N 2.035 122.437 120.400 0.003 0.000 2.443 651 D HA -0.026 4.614 4.640 -0.001 0.000 0.234 651 D C 0.714 177.058 176.300 0.072 0.000 1.172 651 D CA 0.536 54.554 54.000 0.030 0.000 0.878 651 D CB 0.748 41.565 40.800 0.028 0.000 1.204 651 D HN -0.101 nan 8.370 nan 0.000 0.453 652 E N -0.018 120.259 120.200 0.129 0.000 2.342 652 E HA 0.359 4.709 4.350 -0.001 0.000 0.257 652 E C -0.451 176.319 176.600 0.284 0.000 1.150 652 E CA -0.239 56.291 56.400 0.217 0.000 0.926 652 E CB 0.888 30.722 29.700 0.224 0.000 1.074 652 E HN 0.132 nan 8.360 nan 0.000 0.449 653 S N 1.460 117.299 115.700 0.231 0.000 2.532 653 S HA 0.439 4.908 4.470 -0.001 0.000 0.299 653 S C -2.524 172.017 174.600 -0.098 0.000 1.105 653 S CA -1.369 56.845 58.200 0.023 0.000 1.018 653 S CB 1.732 64.957 63.200 0.042 0.000 1.021 653 S HN 0.201 nan 8.310 nan 0.000 0.483 654 P HA 0.228 nan 4.420 nan 0.000 0.269 654 P C -0.602 176.581 177.300 -0.194 0.000 1.209 654 P CA -0.356 62.424 63.100 -0.533 0.000 0.776 654 P CB 0.229 31.517 31.700 -0.687 0.000 0.876 655 c N 2.514 121.063 118.600 -0.085 0.000 2.403 655 c HA 0.225 4.795 4.570 -0.001 0.000 0.361 655 c C 2.362 176.429 174.090 -0.038 0.000 1.274 655 c CA -0.376 55.920 56.329 -0.056 0.000 2.433 655 c CB 0.297 42.803 42.510 -0.007 0.000 2.323 655 c HN 0.687 nan 8.230 nan 0.000 0.614 656 K N 0.786 121.170 120.400 -0.028 0.000 2.026 656 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 656 K C 1.830 178.446 176.600 0.027 0.000 1.048 656 K CA 1.968 58.255 56.287 0.001 0.000 0.929 656 K CB -0.645 31.856 32.500 0.002 0.000 0.713 656 K HN 0.922 nan 8.250 nan 0.000 0.439 657 G N 0.421 109.235 108.800 0.024 0.000 2.679 657 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.212 657 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.212 657 G C 0.845 175.772 174.900 0.044 0.000 1.137 657 G CA 0.168 45.284 45.100 0.027 0.000 0.787 657 G HN 0.441 nan 8.290 nan 0.000 0.534 658 E N 0.483 120.716 120.200 0.056 0.000 2.371 658 E HA 0.068 4.417 4.350 -0.001 0.000 0.194 658 E C 1.058 177.700 176.600 0.071 0.000 1.012 658 E CA -0.265 56.194 56.400 0.097 0.000 0.860 658 E CB 0.185 29.956 29.700 0.118 0.000 0.811 658 E HN 0.209 nan 8.360 nan 0.000 0.502 659 S N -0.034 115.690 115.700 0.040 0.000 2.571 659 S HA 0.084 4.554 4.470 -0.001 0.000 0.298 659 S C 1.299 175.879 174.600 -0.033 0.000 1.280 659 S CA 0.884 59.113 58.200 0.047 0.000 1.052 659 S CB 0.499 63.799 63.200 0.166 0.000 0.799 659 S HN 0.594 nan 8.310 nan 0.000 0.501 660 G N 1.902 110.682 108.800 -0.034 0.000 2.212 660 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.266 660 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.266 660 G C 0.417 175.337 174.900 0.033 0.000 0.978 660 G CA 0.124 45.187 45.100 -0.063 0.000 0.632 660 G HN 1.159 nan 8.290 nan 0.000 0.537 661 G N 0.129 108.992 108.800 0.104 0.000 2.572 661 G HA2 0.674 4.634 3.960 -0.001 0.000 0.261 661 G HA3 0.674 4.634 3.960 -0.001 0.000 0.261 661 G C 0.632 175.681 174.900 0.249 0.000 1.197 661 G CA 0.484 45.711 45.100 0.213 0.000 0.870 661 G HN 1.589 nan 8.290 nan 0.000 0.548 662 A N -0.059 122.959 122.820 0.331 0.000 2.546 662 A HA 0.381 4.700 4.320 -0.001 0.000 0.243 662 A C 0.299 178.139 177.584 0.427 0.000 1.063 662 A CA -0.034 52.195 52.037 0.321 0.000 0.757 662 A CB 0.211 19.338 19.000 0.213 0.000 0.991 662 A HN 0.782 nan 8.150 nan 0.000 0.503 663 V N 4.756 124.819 119.914 0.249 0.000 2.348 663 V HA 0.479 4.598 4.120 -0.001 0.000 0.270 663 V C -0.213 176.010 176.094 0.215 0.000 1.037 663 V CA 0.096 62.479 62.300 0.138 0.000 0.872 663 V CB -0.546 31.198 31.823 -0.133 0.000 1.002 663 V HN 0.749 nan 8.190 nan 0.000 0.464 664 F N 5.520 125.526 119.950 0.093 0.000 2.631 664 F HA 0.983 5.510 4.527 -0.001 0.000 0.328 664 F C -0.884 175.019 175.800 0.172 0.000 1.067 664 F CA -1.526 56.525 58.000 0.084 0.000 0.969 664 F CB 1.493 40.479 39.000 -0.024 0.000 1.332 664 F HN 0.326 nan 8.300 nan 0.000 0.490 665 L N -1.340 120.120 121.223 0.395 0.000 2.322 665 L HA 0.722 5.061 4.340 -0.001 0.000 0.252 665 L C -1.219 175.954 176.870 0.504 0.000 1.055 665 L CA -1.043 53.998 54.840 0.335 0.000 0.849 665 L CB 1.774 43.905 42.059 0.119 0.000 1.446 665 L HN 0.839 nan 8.230 nan 0.000 0.416 666 E N 0.521 120.911 120.200 0.316 0.000 2.210 666 E HA 0.689 5.039 4.350 -0.001 0.000 0.266 666 E C -1.477 175.139 176.600 0.028 0.000 0.883 666 E CA -0.817 55.632 56.400 0.081 0.000 0.761 666 E CB 1.957 31.677 29.700 0.032 0.000 1.156 666 E HN 0.686 nan 8.360 nan 0.000 0.412 667 R N 2.968 123.489 120.500 0.035 0.000 2.535 667 R HA 0.247 4.586 4.340 -0.001 0.000 0.274 667 R C -0.810 175.459 176.300 -0.052 0.000 1.090 667 R CA -0.421 55.653 56.100 -0.043 0.000 0.930 667 R CB 0.789 31.030 30.300 -0.099 0.000 1.223 667 R HN 0.576 nan 8.270 nan 0.000 0.441 668 R N 4.841 125.215 120.500 -0.210 0.000 3.301 668 R HA -0.226 4.113 4.340 -0.001 0.000 0.249 668 R C -0.774 175.440 176.300 -0.143 0.000 0.964 668 R CA 1.111 57.069 56.100 -0.236 0.000 0.653 668 R CB -2.084 28.163 30.300 -0.087 0.000 1.043 668 R HN 0.793 nan 8.270 nan 0.000 0.454 669 F N -2.742 117.120 119.950 -0.146 0.000 3.034 669 F HA -0.320 4.207 4.527 0.000 0.000 0.286 669 F C 0.895 176.458 175.800 -0.396 0.000 0.804 669 F CA 1.374 59.229 58.000 -0.241 0.000 1.161 669 F CB -0.928 37.968 39.000 -0.174 0.000 1.317 669 F HN 0.319 nan 8.300 nan 0.000 0.453 670 R N -0.679 119.663 120.500 -0.264 0.000 2.888 670 R HA 0.753 5.092 4.340 -0.001 0.000 0.266 670 R C -0.926 174.998 176.300 -0.626 0.000 1.020 670 R CA -0.806 55.064 56.100 -0.383 0.000 0.963 670 R CB 1.306 31.467 30.300 -0.233 0.000 1.197 670 R HN -0.060 nan 8.270 nan 0.000 0.481 671 F N 1.042 120.679 119.950 -0.522 0.000 2.493 671 F HA 0.493 5.019 4.527 -0.001 0.000 0.329 671 F C -0.491 174.711 175.800 -0.997 0.000 1.126 671 F CA -0.606 57.104 58.000 -0.483 0.000 0.937 671 F CB 1.197 39.905 39.000 -0.486 0.000 1.146 671 F HN 0.242 nan 8.300 nan 0.000 0.442 672 F N 1.279 121.248 119.950 0.032 0.000 2.507 672 F HA 0.402 4.929 4.527 -0.001 0.000 0.325 672 F C -0.065 175.718 175.800 -0.028 0.000 1.116 672 F CA -1.005 56.965 58.000 -0.050 0.000 0.930 672 F CB 1.810 40.793 39.000 -0.027 0.000 1.146 672 F HN 0.353 nan 8.300 nan 0.000 0.447 673 Q N 2.377 122.180 119.800 0.005 0.000 2.314 673 Q HA 0.399 4.739 4.340 -0.001 0.000 0.257 673 Q C 0.261 176.273 176.000 0.020 0.000 0.975 673 Q CA -0.370 55.435 55.803 0.003 0.000 0.933 673 Q CB 1.432 30.107 28.738 -0.104 0.000 1.195 673 Q HN 0.804 nan 8.270 nan 0.000 0.426 674 V N 0.852 120.810 119.914 0.072 0.000 3.565 674 V HA 0.571 4.691 4.120 -0.001 0.000 0.260 674 V C 0.526 176.654 176.094 0.056 0.000 1.231 674 V CA 0.706 63.036 62.300 0.052 0.000 1.100 674 V CB 0.348 32.305 31.823 0.224 0.000 0.807 674 V HN 0.645 nan 8.190 nan 0.000 0.454 675 G N 0.605 109.451 108.800 0.075 0.000 2.600 675 G HA2 0.652 4.611 3.960 -0.001 0.000 0.293 675 G HA3 0.652 4.611 3.960 -0.001 0.000 0.293 675 G C -1.914 173.051 174.900 0.107 0.000 1.408 675 G CA -0.321 44.844 45.100 0.108 0.000 0.782 675 G HN 0.808 nan 8.290 nan 0.000 0.482 676 L N -2.007 119.300 121.223 0.140 0.000 2.422 676 L HA 0.848 5.187 4.340 -0.001 0.000 0.264 676 L C -0.236 176.752 176.870 0.198 0.000 0.984 676 L CA -1.320 53.604 54.840 0.139 0.000 0.819 676 L CB 1.783 43.901 42.059 0.098 0.000 1.330 676 L HN 0.403 nan 8.230 nan 0.000 0.410 677 V N 1.843 121.865 119.914 0.178 0.000 2.540 677 V HA 0.178 4.297 4.120 -0.001 0.000 0.297 677 V C 0.939 177.146 176.094 0.188 0.000 1.024 677 V CA 1.052 63.475 62.300 0.206 0.000 1.105 677 V CB 0.421 32.291 31.823 0.078 0.000 0.938 677 V HN 1.068 nan 8.190 nan 0.000 0.482 678 S N 4.662 120.481 115.700 0.199 0.000 3.334 678 S HA 0.346 4.815 4.470 -0.001 0.000 0.224 678 S C -0.125 174.480 174.600 0.009 0.000 0.959 678 S CA 0.019 58.374 58.200 0.258 0.000 0.815 678 S CB 0.573 64.053 63.200 0.468 0.000 0.861 678 S HN 0.889 nan 8.310 nan 0.000 0.596 679 W N 0.040 121.130 121.300 -0.350 0.000 2.959 679 W HA 0.653 5.313 4.660 -0.001 0.000 0.358 679 W C -0.442 175.934 176.519 -0.238 0.000 1.228 679 W CA -0.453 56.596 57.345 -0.493 0.000 1.183 679 W CB 0.276 29.123 29.460 -1.022 0.000 1.467 679 W HN 0.532 nan 8.180 nan 0.000 0.578 680 G N -0.515 108.269 108.800 -0.027 0.000 2.561 680 G HA2 0.441 4.401 3.960 -0.001 0.000 0.310 680 G HA3 0.441 4.401 3.960 -0.001 0.000 0.310 680 G C -1.082 173.904 174.900 0.142 0.000 1.292 680 G CA -0.708 44.286 45.100 -0.176 0.000 0.811 680 G HN 0.507 nan 8.290 nan 0.000 0.482 681 L N -0.728 120.539 121.223 0.072 0.000 2.616 681 L HA 0.412 4.752 4.340 -0.001 0.000 0.229 681 L C -0.001 176.979 176.870 0.183 0.000 1.110 681 L CA 0.225 55.176 54.840 0.184 0.000 0.884 681 L CB 0.361 42.530 42.059 0.184 0.000 1.115 681 L HN 0.467 nan 8.230 nan 0.000 0.481 682 Y N 0.319 120.608 120.300 -0.019 0.000 2.401 682 Y HA 0.374 4.923 4.550 -0.001 0.000 0.330 682 Y C -0.908 174.976 175.900 -0.027 0.000 1.071 682 Y CA -1.179 56.910 58.100 -0.018 0.000 1.049 682 Y CB 1.344 39.787 38.460 -0.028 0.000 1.239 682 Y HN -0.139 nan 8.280 nan 0.000 0.437 683 N N 8.076 126.416 118.700 -0.599 0.000 2.609 683 N HA 0.372 5.112 4.740 -0.001 0.000 0.234 683 N C -2.443 172.644 175.510 -0.705 0.000 1.001 683 N CA -2.693 50.062 53.050 -0.492 0.000 0.926 683 N CB 1.604 39.941 38.487 -0.250 0.000 1.130 683 N HN 0.405 nan 8.380 nan 0.000 0.510 684 P HA -0.037 nan 4.420 nan 0.000 0.223 684 P C 0.477 177.694 177.300 -0.139 0.000 1.144 684 P CA 0.932 63.856 63.100 -0.293 0.000 0.783 684 P CB 0.280 31.968 31.700 -0.020 0.000 0.771 685 c N -2.569 115.955 118.600 -0.128 0.000 2.799 685 c HA 0.241 4.811 4.570 -0.001 0.000 0.267 685 c C 1.305 175.358 174.090 -0.062 0.000 1.257 685 c CA -0.614 55.680 56.329 -0.058 0.000 1.702 685 c CB -1.536 40.958 42.510 -0.026 0.000 1.934 685 c HN 0.158 nan 8.230 nan 0.000 0.594 693 S N 1.538 117.253 115.700 0.025 0.000 2.449 693 S HA 0.650 5.120 4.470 -0.001 0.000 0.310 693 S C -0.293 174.327 174.600 0.032 0.000 1.096 693 S CA -0.674 57.542 58.200 0.027 0.000 1.095 693 S CB 2.218 65.432 63.200 0.024 0.000 1.007 693 S HN 0.082 nan 8.310 nan 0.000 0.474 694 R N 1.716 122.241 120.500 0.041 0.000 2.513 694 R HA 0.400 4.740 4.340 -0.001 0.000 0.301 694 R C -0.983 175.361 176.300 0.074 0.000 0.968 694 R CA -0.811 55.321 56.100 0.054 0.000 0.872 694 R CB 1.932 32.275 30.300 0.071 0.000 1.177 694 R HN 0.529 nan 8.270 nan 0.000 0.444 695 K N 2.533 122.989 120.400 0.093 0.000 2.144 695 K HA 0.345 4.664 4.320 -0.001 0.000 0.270 695 K C -0.029 176.710 176.600 0.233 0.000 1.005 695 K CA -0.780 55.593 56.287 0.144 0.000 0.932 695 K CB 0.992 33.589 32.500 0.162 0.000 1.021 695 K HN 0.185 nan 8.250 nan 0.000 0.462 696 R N 1.158 121.753 120.500 0.157 0.000 2.349 696 R HA 0.312 4.651 4.340 -0.001 0.000 0.299 696 R C -0.131 176.145 176.300 -0.040 0.000 1.027 696 R CA -0.616 55.541 56.100 0.096 0.000 0.958 696 R CB 1.419 31.737 30.300 0.031 0.000 1.047 696 R HN 0.775 nan 8.270 nan 0.000 0.468 697 A N 5.075 127.680 122.820 -0.358 0.000 2.466 697 A HA 0.258 4.577 4.320 -0.001 0.000 0.238 697 A C -1.728 175.693 177.584 -0.273 0.000 1.074 697 A CA -0.961 50.678 52.037 -0.663 0.000 0.774 697 A CB -0.470 17.904 19.000 -1.043 0.000 1.015 697 A HN 0.459 nan 8.150 nan 0.000 0.498 698 P HA 0.130 nan 4.420 nan 0.000 0.268 698 P C 0.286 177.515 177.300 -0.119 0.000 1.204 698 P CA -0.114 62.919 63.100 -0.113 0.000 0.768 698 P CB 0.529 32.184 31.700 -0.074 0.000 0.842 699 R N 1.518 121.966 120.500 -0.085 0.000 2.303 699 R HA -0.092 4.247 4.340 -0.001 0.000 0.225 699 R C 1.813 178.073 176.300 -0.066 0.000 1.114 699 R CA 1.699 57.753 56.100 -0.076 0.000 1.007 699 R CB -0.266 30.002 30.300 -0.054 0.000 0.861 699 R HN 0.624 nan 8.270 nan 0.000 0.471 700 S N -0.043 115.621 115.700 -0.060 0.000 2.524 700 S HA 0.003 4.472 4.470 -0.001 0.000 0.216 700 S C 0.771 175.342 174.600 -0.049 0.000 0.987 700 S CA -0.326 57.847 58.200 -0.045 0.000 0.909 700 S CB 0.217 63.397 63.200 -0.032 0.000 0.781 700 S HN 0.101 nan 8.310 nan 0.000 0.521 701 K N 1.636 121.992 120.400 -0.074 0.000 2.451 701 K HA 0.269 4.589 4.320 -0.001 0.000 0.280 701 K C -1.302 175.263 176.600 -0.058 0.000 1.020 701 K CA -0.051 56.191 56.287 -0.074 0.000 1.008 701 K CB 0.508 32.932 32.500 -0.127 0.000 0.917 701 K HN 0.109 nan 8.250 nan 0.000 0.478 702 V N 7.677 127.574 119.914 -0.027 0.000 2.444 702 V HA 0.376 4.496 4.120 -0.001 0.000 0.294 702 V C -1.972 174.129 176.094 0.012 0.000 1.022 702 V CA -1.537 60.758 62.300 -0.007 0.000 0.850 702 V CB 1.391 33.214 31.823 -0.000 0.000 0.992 702 V HN 0.936 nan 8.190 nan 0.000 0.426 703 P HA 0.530 nan 4.420 nan 0.000 0.283 703 P C -2.863 174.435 177.300 -0.003 0.000 1.278 703 P CA -2.129 60.989 63.100 0.030 0.000 0.834 703 P CB 0.921 32.669 31.700 0.079 0.000 1.150 704 P HA 0.225 nan 4.420 nan 0.000 0.273 704 P C -2.510 174.756 177.300 -0.057 0.000 1.250 704 P CA -1.400 61.655 63.100 -0.074 0.000 0.793 704 P CB -1.382 30.274 31.700 -0.073 0.000 1.011 705 P HA 0.290 nan 4.420 nan 0.000 0.267 705 P C -0.263 176.973 177.300 -0.107 0.000 1.200 705 P CA 0.494 63.588 63.100 -0.010 0.000 0.772 705 P CB 0.269 31.999 31.700 0.049 0.000 0.855 706 R N 1.503 121.885 120.500 -0.198 0.000 2.604 706 R HA 0.420 4.760 4.340 -0.001 0.000 0.261 706 R C -1.975 173.809 176.300 -0.859 0.000 1.080 706 R CA -0.355 55.456 56.100 -0.481 0.000 0.917 706 R CB 1.179 31.233 30.300 -0.411 0.000 1.252 706 R HN 0.351 nan 8.270 nan 0.000 0.456 707 D N 3.337 122.976 120.400 -1.268 0.000 2.787 707 D HA 0.395 5.034 4.640 -0.001 0.000 0.246 707 D C -0.900 174.349 176.300 -1.753 0.000 1.150 707 D CA -0.125 53.145 54.000 -1.216 0.000 0.864 707 D CB 1.664 42.115 40.800 -0.582 0.000 1.481 707 D HN 0.199 nan 8.370 nan 0.000 0.509 708 F N 1.112 120.343 119.950 -1.199 0.000 2.507 708 F HA 0.324 4.851 4.527 -0.001 0.000 0.328 708 F C 0.124 175.488 175.800 -0.727 0.000 1.136 708 F CA -0.711 56.616 58.000 -1.121 0.000 0.930 708 F CB 1.328 39.284 39.000 -1.739 0.000 1.166 708 F HN 0.163 nan 8.300 nan 0.000 0.436 709 H N 2.786 122.008 119.070 0.253 0.000 2.495 709 H HA 0.450 5.006 4.556 -0.001 0.000 0.348 709 H C -0.353 175.167 175.328 0.320 0.000 1.113 709 H CA -1.072 55.124 56.048 0.247 0.000 1.195 709 H CB 1.592 31.428 29.762 0.123 0.000 1.521 709 H HN 0.376 nan 8.280 nan 0.000 0.509 710 I N 2.484 123.232 120.570 0.296 0.000 2.662 710 I HA -0.102 4.068 4.170 -0.001 0.000 0.285 710 I C 0.622 176.791 176.117 0.086 0.000 1.161 710 I CA 0.588 61.904 61.300 0.026 0.000 1.415 710 I CB -0.426 37.567 38.000 -0.011 0.000 1.385 710 I HN 0.752 nan 8.210 nan 0.000 0.552 711 N N 6.363 125.091 118.700 0.046 0.000 2.422 711 N HA 0.149 4.888 4.740 -0.001 0.000 0.264 711 N C 1.026 176.576 175.510 0.066 0.000 1.063 711 N CA -0.639 52.483 53.050 0.120 0.000 0.959 711 N CB 0.920 39.501 38.487 0.156 0.000 1.087 711 N HN 0.537 nan 8.380 nan 0.000 0.483 712 L N 3.189 124.421 121.223 0.016 0.000 2.201 712 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 712 L C 1.178 177.981 176.870 -0.112 0.000 1.105 712 L CA 0.814 55.605 54.840 -0.081 0.000 0.775 712 L CB -0.349 41.604 42.059 -0.177 0.000 0.913 712 L HN 0.667 nan 8.230 nan 0.000 0.440 713 F N -0.050 119.939 119.950 0.064 0.000 2.451 713 F HA -0.097 4.430 4.527 -0.001 0.000 0.299 713 F C 2.342 178.156 175.800 0.024 0.000 1.101 713 F CA 0.707 58.737 58.000 0.050 0.000 1.436 713 F CB -0.288 38.732 39.000 0.033 0.000 1.074 713 F HN -0.031 nan 8.300 nan 0.000 0.553 714 R N -0.588 120.012 120.500 0.166 0.000 2.300 714 R HA 0.164 4.503 4.340 -0.001 0.000 0.199 714 R C 1.002 177.333 176.300 0.052 0.000 0.920 714 R CA 0.490 56.636 56.100 0.077 0.000 1.046 714 R CB -0.106 30.205 30.300 0.018 0.000 0.984 714 R HN 0.226 nan 8.270 nan 0.000 0.493 715 M N 0.558 120.196 119.600 0.063 0.000 2.576 715 M HA 0.197 4.677 4.480 -0.001 0.000 0.322 715 M C 0.950 177.331 176.300 0.134 0.000 1.184 715 M CA -0.004 55.347 55.300 0.085 0.000 0.967 715 M CB 0.654 33.297 32.600 0.072 0.000 1.372 715 M HN -0.149 nan 8.290 nan 0.000 0.509 716 Q N 0.463 120.315 119.800 0.085 0.000 2.079 716 Q HA -0.026 4.313 4.340 -0.001 0.000 0.200 716 Q C -0.650 175.318 176.000 -0.054 0.000 0.974 716 Q CA 1.462 57.279 55.803 0.022 0.000 0.840 716 Q CB -1.397 27.354 28.738 0.021 0.000 0.898 716 Q HN 0.332 nan 8.270 nan 0.000 0.430 717 P HA -0.188 nan 4.420 nan 0.000 0.215 717 P C 1.023 178.329 177.300 0.010 0.000 1.157 717 P CA 1.193 64.281 63.100 -0.020 0.000 0.874 717 P CB -0.377 31.339 31.700 0.026 0.000 0.790 718 W N -0.432 120.840 121.300 -0.047 0.000 2.409 718 W HA -0.100 4.559 4.660 -0.001 0.000 0.299 718 W C 1.845 178.394 176.519 0.051 0.000 1.203 718 W CA 0.825 58.191 57.345 0.035 0.000 1.298 718 W CB -0.855 28.657 29.460 0.088 0.000 1.127 718 W HN -0.224 nan 8.180 nan 0.000 0.528 719 L N 1.171 122.532 121.223 0.230 0.000 1.989 719 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 719 L C 2.477 179.199 176.870 -0.246 0.000 1.071 719 L CA 1.988 56.864 54.840 0.059 0.000 0.749 719 L CB -1.568 40.610 42.059 0.198 0.000 0.890 719 L HN 0.001 nan 8.230 nan 0.000 0.431 720 R N -0.943 119.245 120.500 -0.519 0.000 2.105 720 R HA -0.224 4.116 4.340 -0.001 0.000 0.239 720 R C 2.170 178.191 176.300 -0.466 0.000 1.135 720 R CA 1.525 57.168 56.100 -0.761 0.000 0.967 720 R CB -0.392 29.456 30.300 -0.753 0.000 0.861 720 R HN 0.548 nan 8.270 nan 0.000 0.442 721 Q N 0.115 119.642 119.800 -0.455 0.000 2.124 721 Q HA -0.200 4.139 4.340 -0.001 0.000 0.202 721 Q C 0.962 176.509 176.000 -0.756 0.000 0.977 721 Q CA 1.827 57.291 55.803 -0.565 0.000 0.850 721 Q CB 0.052 28.433 28.738 -0.595 0.000 0.901 721 Q HN 0.569 nan 8.270 nan 0.000 0.429 722 H N -1.136 117.630 119.070 -0.507 0.000 2.595 722 H HA 0.245 4.800 4.556 -0.001 0.000 0.265 722 H C 0.656 175.668 175.328 -0.525 0.000 0.953 722 H CA 0.492 56.217 56.048 -0.538 0.000 1.197 722 H CB 0.724 30.023 29.762 -0.772 0.000 1.438 722 H HN 0.157 nan 8.280 nan 0.000 0.531 723 L N -0.684 120.346 121.223 -0.321 0.000 3.135 723 L HA 0.305 4.644 4.340 -0.001 0.000 0.279 723 L C 2.065 178.948 176.870 0.021 0.000 1.200 723 L CA 0.032 54.731 54.840 -0.236 0.000 1.016 723 L CB 0.823 42.797 42.059 -0.142 0.000 1.391 723 L HN 0.271 nan 8.230 nan 0.000 0.588 724 G N -0.190 108.587 108.800 -0.037 0.000 2.448 724 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.219 724 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.219 724 G C 0.869 175.801 174.900 0.053 0.000 1.127 724 G CA 0.773 45.906 45.100 0.056 0.000 0.766 724 G HN 0.262 nan 8.290 nan 0.000 0.552 725 D N -0.635 119.755 120.400 -0.016 0.000 2.369 725 D HA 0.163 4.802 4.640 -0.001 0.000 0.211 725 D C 2.068 178.362 176.300 -0.011 0.000 1.077 725 D CA 0.003 54.000 54.000 -0.006 0.000 0.842 725 D CB 1.063 41.859 40.800 -0.006 0.000 0.947 725 D HN 0.251 nan 8.370 nan 0.000 0.509 726 V N -0.053 119.829 119.914 -0.053 0.000 2.922 726 V HA 0.186 4.305 4.120 -0.001 0.000 0.242 726 V C 0.914 176.967 176.094 -0.068 0.000 1.094 726 V CA 0.590 62.846 62.300 -0.072 0.000 1.106 726 V CB 0.772 32.440 31.823 -0.257 0.000 0.799 726 V HN 0.033 nan 8.190 nan 0.000 0.474 727 L N 0.321 121.487 121.223 -0.095 0.000 2.333 727 L HA 0.546 4.886 4.340 -0.001 0.000 0.263 727 L C -0.662 176.097 176.870 -0.185 0.000 1.014 727 L CA -0.540 54.180 54.840 -0.200 0.000 0.820 727 L CB 1.949 43.762 42.059 -0.411 0.000 1.352 727 L HN 0.147 nan 8.230 nan 0.000 0.421 728 N N 2.080 120.649 118.700 -0.219 0.000 2.678 728 N HA 0.297 5.037 4.740 -0.001 0.000 0.231 728 N C -0.941 174.470 175.510 -0.165 0.000 1.038 728 N CA -0.246 52.738 53.050 -0.110 0.000 0.932 728 N CB 0.654 39.112 38.487 -0.048 0.000 1.176 728 N HN 0.268 nan 8.380 nan 0.000 0.511 729 F N 1.212 121.148 119.950 -0.023 0.000 2.518 729 F HA 0.101 4.627 4.527 -0.001 0.000 0.359 729 F C 1.705 177.491 175.800 -0.024 0.000 1.118 729 F CA -0.248 57.738 58.000 -0.023 0.000 1.287 729 F CB 0.582 39.560 39.000 -0.037 0.000 1.132 729 F HN 0.125 nan 8.300 nan 0.000 0.587 730 L N 0.000 121.309 121.223 0.144 0.000 2.949 730 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 730 L CA 0.000 54.870 54.840 0.051 0.000 0.813 730 L CB 0.000 42.032 42.059 -0.046 0.000 0.961 730 L HN 0.000 nan 8.230 nan 0.000 0.502