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 1v0e_1_B DATA FIRST_RESID 245 DATA SEQUENCE SAKGDGVTDD TAALTSALND TPVGQKINGN GKTYKVTSLP DISRFINTRF DATA SEQUENCE VYERIPGQPL YYASEEFVQG ELFKITDTPY YNAWPQDKAF VYENVIYAPY DATA SEQUENCE MGSDRHGVSR LHVSWVKSGD DGQTWSTPEW LTDLHPDYPT VNYHCMSMGV DATA SEQUENCE CRNRLFAMIE TRTLAKNALT NCALWDRPMS RSLHLTGGIT KAANQRYATI DATA SEQUENCE HVPDHGLFVG DFVNFSNSAV TGVSGDMTVA TVIDKDNFTV LTPNQQTSDL DATA SEQUENCE NNAGKNWHMG TSFHKSPWRK TDLGLIPSVT EVHSFATIDN NGFAMGYHQG DATA SEQUENCE DVAPREVGLF YFPDAFNSPS NYVRRQIPSE YEPDASEPCI KYYDGVLYLI DATA SEQUENCE TRGTRGDRLG SSLHRSRDIG QTWESLRFPH NVHHTTLPFA KVGDDLIMFG DATA SEQUENCE SERAENEWEA GAPDDRYKAS YPRTFYARLN VNNWNADDIE WVNITDQIYQ DATA SEQUENCE GGIVNSGVGV GSVVVKDNYI YYMFGGEDHF NPWTYGDNSA KDPFKSDGHP DATA SEQUENCE SDLYCYKMKI GPDNRVSRDF RYGAVPNRAV PVFFDTNGVR TVPAPMEFTG DATA SEQUENCE DLGLGHVTIR ASTSSNIRSE VLMEGEYGFI GKSIPTDNPA GQRIIFCGGE DATA SEQUENCE GTSSTTGAQI TLYGANNTDS RRIVYNGDEH LFQSADVKPY NDNVTALGGP DATA SEQUENCE SNRFTTAYLG SNPIVT 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 245 S HA 0.000 nan 4.470 nan 0.000 0.327 245 S C 0.000 174.657 174.600 0.095 0.000 1.055 245 S CA 0.000 58.241 58.200 0.068 0.000 1.107 245 S CB 0.000 63.238 63.200 0.063 0.000 0.593 246 A N 2.267 125.169 122.820 0.135 0.000 2.462 246 A HA 0.542 4.862 4.320 -0.001 0.000 0.243 246 A C 1.154 178.860 177.584 0.203 0.000 1.076 246 A CA -0.393 51.767 52.037 0.204 0.000 0.773 246 A CB 0.169 19.350 19.000 0.302 0.000 1.010 246 A HN 0.779 nan 8.150 nan 0.000 0.493 247 K N 1.854 122.345 120.400 0.151 0.000 2.137 247 K HA 0.051 4.371 4.320 -0.001 0.000 0.202 247 K C 1.281 177.865 176.600 -0.028 0.000 1.052 247 K CA 0.942 57.268 56.287 0.064 0.000 0.961 247 K CB -0.488 32.032 32.500 0.033 0.000 0.741 247 K HN 1.639 nan 8.250 nan 0.000 0.452 248 G N 4.107 112.818 108.800 -0.149 0.000 2.366 248 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.299 248 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.299 248 G C -0.066 174.597 174.900 -0.394 0.000 1.020 248 G CA 0.873 45.532 45.100 -0.735 0.000 1.026 248 G HN 0.486 nan 8.290 nan 0.000 0.512 249 D N -1.623 118.655 120.400 -0.203 0.000 2.431 249 D HA 0.373 5.013 4.640 -0.001 0.000 0.213 249 D C 1.780 178.032 176.300 -0.081 0.000 1.130 249 D CA 0.330 54.262 54.000 -0.114 0.000 0.834 249 D CB -0.352 40.414 40.800 -0.057 0.000 0.985 249 D HN 1.401 nan 8.370 nan 0.000 0.504 250 G N 0.256 108.998 108.800 -0.097 0.000 2.189 250 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.267 250 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.267 250 G C 0.988 175.893 174.900 0.007 0.000 0.975 250 G CA 1.434 46.520 45.100 -0.023 0.000 0.644 250 G HN 0.939 nan 8.290 nan 0.000 0.537 251 V N -4.072 115.841 119.914 -0.002 0.000 3.103 251 V HA 0.419 4.538 4.120 -0.001 0.000 0.229 251 V C 1.258 177.362 176.094 0.016 0.000 1.304 251 V CA 1.234 63.539 62.300 0.010 0.000 1.298 251 V CB -0.211 31.616 31.823 0.007 0.000 1.093 251 V HN 0.303 nan 8.190 nan 0.000 0.489 252 T N 3.201 117.765 114.554 0.016 0.000 2.928 252 T HA 0.168 4.517 4.350 -0.001 0.000 0.305 252 T C -0.277 174.451 174.700 0.046 0.000 1.035 252 T CA 0.659 62.776 62.100 0.028 0.000 1.145 252 T CB 0.491 69.377 68.868 0.029 0.000 0.963 252 T HN 0.571 nan 8.240 nan 0.000 0.545 253 D N 1.949 122.376 120.400 0.045 0.000 2.346 253 D HA 0.039 4.679 4.640 -0.001 0.000 0.260 253 D C 0.244 176.587 176.300 0.071 0.000 1.252 253 D CA -0.276 53.757 54.000 0.055 0.000 0.895 253 D CB 0.467 41.291 40.800 0.039 0.000 1.097 253 D HN 0.325 nan 8.370 nan 0.000 0.489 254 D N 2.385 122.847 120.400 0.104 0.000 2.340 254 D HA 0.006 4.646 4.640 -0.001 0.000 0.217 254 D C 1.433 177.791 176.300 0.096 0.000 1.081 254 D CA 0.184 54.265 54.000 0.134 0.000 0.842 254 D CB 0.509 41.463 40.800 0.255 0.000 0.934 254 D HN 0.398 nan 8.370 nan 0.000 0.511 255 T N 0.396 114.984 114.554 0.055 0.000 2.635 255 T HA -0.205 4.145 4.350 -0.001 0.000 0.267 255 T C 2.037 176.745 174.700 0.014 0.000 1.040 255 T CA 1.719 63.826 62.100 0.012 0.000 1.156 255 T CB -0.086 68.775 68.868 -0.011 0.000 0.863 255 T HN 0.229 nan 8.240 nan 0.000 0.430 256 A N 1.375 124.208 122.820 0.021 0.000 1.902 256 A HA 0.183 4.503 4.320 -0.001 0.000 0.217 256 A C 2.665 180.266 177.584 0.028 0.000 1.181 256 A CA 1.870 53.918 52.037 0.018 0.000 0.623 256 A CB -1.151 17.859 19.000 0.017 0.000 0.818 256 A HN 0.520 nan 8.150 nan 0.000 0.443 257 A N -0.702 122.145 122.820 0.045 0.000 1.902 257 A HA -0.015 4.305 4.320 -0.001 0.000 0.217 257 A C 1.999 179.619 177.584 0.060 0.000 1.181 257 A CA 1.697 53.767 52.037 0.055 0.000 0.623 257 A CB -0.492 18.553 19.000 0.076 0.000 0.818 257 A HN 0.383 nan 8.150 nan 0.000 0.443 258 L N -0.268 120.999 121.223 0.073 0.000 2.056 258 L HA -0.101 4.239 4.340 -0.001 0.000 0.207 258 L C 2.695 179.615 176.870 0.083 0.000 1.078 258 L CA 2.323 57.226 54.840 0.105 0.000 0.749 258 L CB -1.637 40.489 42.059 0.112 0.000 0.901 258 L HN 0.363 nan 8.230 nan 0.000 0.433 259 T N -1.075 113.502 114.554 0.038 0.000 2.708 259 T HA -0.198 4.151 4.350 -0.001 0.000 0.266 259 T C 2.135 176.839 174.700 0.006 0.000 1.037 259 T CA 1.763 63.869 62.100 0.011 0.000 1.146 259 T CB -0.245 68.619 68.868 -0.008 0.000 0.865 259 T HN 0.511 nan 8.240 nan 0.000 0.435 260 S N 1.711 117.418 115.700 0.011 0.000 2.356 260 S HA -0.095 4.374 4.470 -0.001 0.000 0.223 260 S C 2.422 177.022 174.600 -0.001 0.000 1.032 260 S CA 1.495 59.698 58.200 0.004 0.000 1.005 260 S CB -0.715 62.491 63.200 0.010 0.000 0.867 260 S HN 0.485 nan 8.310 nan 0.000 0.449 261 A N 2.090 124.915 122.820 0.008 0.000 1.869 261 A HA -0.091 4.229 4.320 -0.001 0.000 0.218 261 A C 2.406 179.965 177.584 -0.042 0.000 1.203 261 A CA 2.066 54.098 52.037 -0.009 0.000 0.638 261 A CB -1.324 17.682 19.000 0.010 0.000 0.831 261 A HN 0.614 nan 8.150 nan 0.000 0.450 262 L N -0.549 120.649 121.223 -0.041 0.000 2.079 262 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 262 L C 2.311 179.145 176.870 -0.061 0.000 1.081 262 L CA 1.859 56.651 54.840 -0.079 0.000 0.752 262 L CB -0.650 41.376 42.059 -0.055 0.000 0.896 262 L HN 0.514 nan 8.230 nan 0.000 0.433 263 N N -0.591 118.087 118.700 -0.038 0.000 2.309 263 N HA -0.163 4.577 4.740 -0.001 0.000 0.182 263 N C 0.692 176.183 175.510 -0.033 0.000 1.018 263 N CA 0.923 53.954 53.050 -0.033 0.000 0.876 263 N CB 0.054 38.528 38.487 -0.023 0.000 0.972 263 N HN 0.293 nan 8.380 nan 0.000 0.434 264 D N -0.469 119.911 120.400 -0.033 0.000 2.349 264 D HA 0.015 4.654 4.640 -0.001 0.000 0.214 264 D C 0.276 176.554 176.300 -0.037 0.000 1.063 264 D CA 0.448 54.431 54.000 -0.029 0.000 0.847 264 D CB 0.353 41.140 40.800 -0.020 0.000 0.933 264 D HN 0.216 nan 8.370 nan 0.000 0.513 265 T N -1.667 112.856 114.554 -0.053 0.000 2.863 265 T HA 0.606 4.956 4.350 -0.001 0.000 0.285 265 T C -2.869 171.792 174.700 -0.065 0.000 1.009 265 T CA -2.186 59.877 62.100 -0.062 0.000 0.989 265 T CB 2.342 71.159 68.868 -0.085 0.000 1.004 265 T HN -0.349 nan 8.240 nan 0.000 0.455 266 P HA 0.068 nan 4.420 nan 0.000 0.265 266 P C 1.550 178.810 177.300 -0.065 0.000 1.187 266 P CA -0.454 62.615 63.100 -0.052 0.000 0.766 266 P CB 0.448 32.123 31.700 -0.042 0.000 0.820 267 V N 1.108 120.987 119.914 -0.058 0.000 2.568 267 V HA -0.130 3.989 4.120 -0.001 0.000 0.253 267 V C 1.893 177.949 176.094 -0.063 0.000 1.072 267 V CA 2.117 64.379 62.300 -0.064 0.000 1.084 267 V CB -1.799 29.994 31.823 -0.050 0.000 0.676 267 V HN 0.668 nan 8.190 nan 0.000 0.469 268 G N -0.480 108.289 108.800 -0.051 0.000 2.777 268 G HA2 0.002 3.962 3.960 -0.001 0.000 0.211 268 G HA3 0.002 3.962 3.960 -0.001 0.000 0.211 268 G C 0.754 175.624 174.900 -0.049 0.000 1.149 268 G CA 0.209 45.283 45.100 -0.043 0.000 0.785 268 G HN 0.590 nan 8.290 nan 0.000 0.536 269 Q N 1.380 121.142 119.800 -0.064 0.000 2.313 269 Q HA 0.221 4.561 4.340 -0.001 0.000 0.266 269 Q C -0.267 175.677 176.000 -0.093 0.000 0.989 269 Q CA -0.015 55.745 55.803 -0.070 0.000 0.890 269 Q CB 0.602 29.294 28.738 -0.078 0.000 1.200 269 Q HN -0.126 nan 8.270 nan 0.000 0.396 270 K N 5.258 125.617 120.400 -0.068 0.000 2.284 270 K HA 0.264 4.584 4.320 -0.001 0.000 0.287 270 K C -0.467 176.083 176.600 -0.084 0.000 1.081 270 K CA -0.174 56.073 56.287 -0.067 0.000 0.910 270 K CB 0.236 32.727 32.500 -0.016 0.000 1.088 270 K HN 0.694 nan 8.250 nan 0.000 0.478 271 I N 2.907 123.371 120.570 -0.178 0.000 2.436 271 I HA -0.016 4.154 4.170 -0.001 0.000 0.289 271 I C 0.847 176.959 176.117 -0.008 0.000 1.083 271 I CA -0.309 60.884 61.300 -0.177 0.000 1.372 271 I CB 0.194 37.917 38.000 -0.462 0.000 1.408 271 I HN 0.307 nan 8.210 nan 0.000 0.516 272 N N 5.359 124.081 118.700 0.038 0.000 2.411 272 N HA 0.135 4.875 4.740 -0.001 0.000 0.259 272 N C 0.869 176.465 175.510 0.143 0.000 1.103 272 N CA 0.020 53.129 53.050 0.098 0.000 0.954 272 N CB 1.771 40.301 38.487 0.072 0.000 1.085 272 N HN 0.759 nan 8.380 nan 0.000 0.485 273 G N 2.256 111.174 108.800 0.196 0.000 2.920 273 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.208 273 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.208 273 G C 0.448 175.538 174.900 0.315 0.000 1.159 273 G CA -0.243 45.008 45.100 0.251 0.000 0.784 273 G HN 0.790 nan 8.290 nan 0.000 0.535 274 N N -0.683 118.143 118.700 0.210 0.000 2.747 274 N HA -0.200 4.540 4.740 -0.001 0.000 0.249 274 N C 1.477 177.080 175.510 0.155 0.000 1.107 274 N CA 1.592 54.734 53.050 0.155 0.000 0.707 274 N CB -1.432 37.136 38.487 0.135 0.000 1.054 274 N HN 1.033 nan 8.380 nan 0.000 0.555 275 G N -1.204 107.731 108.800 0.225 0.000 2.184 275 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.264 275 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.264 275 G C 0.154 175.251 174.900 0.328 0.000 0.975 275 G CA 1.036 46.296 45.100 0.267 0.000 0.642 275 G HN 0.541 nan 8.290 nan 0.000 0.536 276 K N 0.274 120.791 120.400 0.194 0.000 2.090 276 K HA 0.595 4.915 4.320 -0.001 0.000 0.249 276 K C 0.001 176.471 176.600 -0.217 0.000 0.995 276 K CA -0.165 56.082 56.287 -0.068 0.000 0.914 276 K CB 0.888 33.217 32.500 -0.284 0.000 1.057 276 K HN 0.074 nan 8.250 nan 0.000 0.462 277 T N 1.690 116.037 114.554 -0.346 0.000 2.794 277 T HA 0.351 4.700 4.350 -0.001 0.000 0.280 277 T C -1.145 173.288 174.700 -0.445 0.000 0.987 277 T CA -0.494 61.441 62.100 -0.276 0.000 0.993 277 T CB 0.231 69.061 68.868 -0.063 0.000 0.939 277 T HN 0.263 nan 8.240 nan 0.000 0.449 278 Y N 1.994 122.219 120.300 -0.124 0.000 2.328 278 Y HA 0.404 4.953 4.550 -0.000 0.000 0.336 278 Y C 0.531 176.480 175.900 0.081 0.000 0.960 278 Y CA -1.025 57.064 58.100 -0.019 0.000 1.134 278 Y CB 1.278 39.717 38.460 -0.035 0.000 1.166 278 Y HN 0.346 nan 8.280 nan 0.000 0.464 279 K N 4.247 124.745 120.400 0.162 0.000 2.276 279 K HA 0.571 4.891 4.320 -0.001 0.000 0.283 279 K C -0.979 175.707 176.600 0.143 0.000 1.044 279 K CA -0.245 56.118 56.287 0.127 0.000 0.944 279 K CB 0.684 33.222 32.500 0.064 0.000 1.012 279 K HN 0.638 nan 8.250 nan 0.000 0.472 280 V N 0.358 120.347 119.914 0.124 0.000 3.007 280 V HA 0.386 4.506 4.120 -0.001 0.000 0.311 280 V C 0.556 176.708 176.094 0.097 0.000 1.120 280 V CA -0.515 61.817 62.300 0.053 0.000 0.980 280 V CB 1.428 33.197 31.823 -0.091 0.000 1.033 280 V HN 0.836 nan 8.190 nan 0.000 0.429 281 T N -1.581 113.004 114.554 0.052 0.000 3.060 281 T HA 0.345 4.695 4.350 -0.001 0.000 0.249 281 T C 0.648 175.413 174.700 0.109 0.000 1.079 281 T CA 0.470 62.641 62.100 0.119 0.000 1.013 281 T CB -0.045 68.857 68.868 0.057 0.000 0.975 281 T HN 0.790 nan 8.240 nan 0.000 0.518 282 S N 0.276 115.879 115.700 -0.162 0.000 2.533 282 S HA 0.545 5.014 4.470 -0.001 0.000 0.271 282 S C -0.815 173.362 174.600 -0.705 0.000 1.143 282 S CA -0.886 57.054 58.200 -0.433 0.000 0.891 282 S CB 1.450 64.509 63.200 -0.236 0.000 1.105 282 S HN 0.350 nan 8.310 nan 0.000 0.468 283 L N 4.569 125.168 121.223 -1.040 0.000 2.455 283 L HA 0.272 4.611 4.340 -0.001 0.000 0.272 283 L C -1.440 175.042 176.870 -0.646 0.000 1.174 283 L CA -0.975 53.302 54.840 -0.939 0.000 0.869 283 L CB -0.078 41.398 42.059 -0.970 0.000 1.130 283 L HN 0.466 nan 8.230 nan 0.000 0.474 284 P HA 0.077 nan 4.420 nan 0.000 0.312 284 P C -0.827 176.306 177.300 -0.278 0.000 1.308 284 P CA -0.565 62.298 63.100 -0.395 0.000 0.743 284 P CB 0.474 31.971 31.700 -0.339 0.000 1.364 285 D N -0.163 120.199 120.400 -0.063 0.000 2.441 285 D HA 0.061 4.700 4.640 -0.001 0.000 0.243 285 D C 1.339 177.738 176.300 0.165 0.000 1.257 285 D CA 0.054 54.057 54.000 0.005 0.000 1.027 285 D CB -0.791 40.015 40.800 0.010 0.000 1.084 285 D HN 0.165 nan 8.370 nan 0.000 0.514 286 I N 1.558 122.155 120.570 0.046 0.000 2.315 286 I HA -0.339 3.831 4.170 -0.001 0.000 0.251 286 I C 2.395 178.691 176.117 0.299 0.000 1.125 286 I CA 1.110 62.528 61.300 0.196 0.000 1.392 286 I CB -0.261 37.776 38.000 0.061 0.000 1.065 286 I HN 0.349 nan 8.210 nan 0.000 0.424 287 S N 1.117 116.905 115.700 0.146 0.000 2.440 287 S HA -0.188 4.282 4.470 -0.001 0.000 0.238 287 S C 1.921 176.572 174.600 0.085 0.000 1.010 287 S CA 0.935 59.193 58.200 0.098 0.000 0.972 287 S CB -0.447 62.772 63.200 0.031 0.000 0.774 287 S HN 0.478 nan 8.310 nan 0.000 0.501 288 R N -0.398 120.143 120.500 0.069 0.000 2.310 288 R HA 0.332 4.672 4.340 -0.001 0.000 0.202 288 R C -0.718 175.437 176.300 -0.241 0.000 0.933 288 R CA 0.013 56.041 56.100 -0.121 0.000 1.054 288 R CB 0.009 30.158 30.300 -0.252 0.000 0.985 288 R HN 0.399 nan 8.270 nan 0.000 0.489 289 F N 0.995 120.978 119.950 0.055 0.000 2.458 289 F HA 0.459 4.986 4.527 -0.001 0.000 0.330 289 F C 0.440 176.280 175.800 0.065 0.000 1.082 289 F CA -1.495 56.542 58.000 0.062 0.000 0.995 289 F CB 1.196 40.262 39.000 0.110 0.000 1.170 289 F HN -0.190 nan 8.300 nan 0.000 0.478 290 I N -0.593 120.119 120.570 0.237 0.000 2.740 290 I HA 0.593 4.762 4.170 -0.001 0.000 0.303 290 I C 0.035 176.280 176.117 0.214 0.000 1.044 290 I CA -1.169 60.245 61.300 0.191 0.000 1.064 290 I CB 1.812 39.883 38.000 0.118 0.000 1.249 290 I HN 0.653 nan 8.210 nan 0.000 0.433 291 N N 1.681 120.523 118.700 0.236 0.000 2.721 291 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 291 N C -1.069 174.677 175.510 0.394 0.000 1.072 291 N CA 1.320 54.547 53.050 0.294 0.000 0.710 291 N CB -0.887 37.701 38.487 0.170 0.000 0.993 291 N HN 0.961 nan 8.380 nan 0.000 0.547 292 T N 0.425 115.145 114.554 0.277 0.000 2.893 292 T HA 0.531 4.880 4.350 -0.001 0.000 0.291 292 T C -0.176 174.198 174.700 -0.543 0.000 1.028 292 T CA -0.702 61.356 62.100 -0.070 0.000 0.995 292 T CB 2.200 70.889 68.868 -0.299 0.000 1.051 292 T HN 0.310 nan 8.240 nan 0.000 0.470 293 R N 1.397 121.420 120.500 -0.796 0.000 2.670 293 R HA 0.659 4.999 4.340 -0.001 0.000 0.289 293 R C -1.597 174.299 176.300 -0.673 0.000 0.965 293 R CA -0.645 54.923 56.100 -0.887 0.000 0.899 293 R CB 0.925 30.560 30.300 -1.108 0.000 1.173 293 R HN 0.465 nan 8.270 nan 0.000 0.456 294 F N 3.060 122.977 119.950 -0.054 0.000 2.450 294 F HA 0.412 4.938 4.527 -0.001 0.000 0.332 294 F C -0.108 175.732 175.800 0.067 0.000 1.093 294 F CA -0.835 57.173 58.000 0.014 0.000 1.003 294 F CB 1.964 40.923 39.000 -0.067 0.000 1.151 294 F HN 0.088 nan 8.300 nan 0.000 0.474 295 V N 1.740 121.751 119.914 0.161 0.000 2.483 295 V HA 0.584 4.704 4.120 -0.001 0.000 0.295 295 V C -1.229 174.932 176.094 0.112 0.000 1.035 295 V CA -1.186 61.047 62.300 -0.112 0.000 0.896 295 V CB 1.386 33.036 31.823 -0.287 0.000 0.986 295 V HN 0.798 nan 8.190 nan 0.000 0.447 296 Y N 1.536 121.807 120.300 -0.049 0.000 2.480 296 Y HA 0.487 5.036 4.550 -0.000 0.000 0.329 296 Y C -0.604 175.299 175.900 0.006 0.000 1.127 296 Y CA -0.612 57.479 58.100 -0.015 0.000 1.037 296 Y CB 2.111 40.532 38.460 -0.064 0.000 1.320 296 Y HN 0.758 nan 8.280 nan 0.000 0.446 297 E N 6.377 126.273 120.200 -0.506 0.000 2.167 297 E HA 0.214 4.564 4.350 -0.001 0.000 0.247 297 E C 0.612 176.720 176.600 -0.820 0.000 0.961 297 E CA -0.453 55.646 56.400 -0.501 0.000 0.797 297 E CB 1.071 30.619 29.700 -0.252 0.000 1.182 297 E HN 0.663 nan 8.360 nan 0.000 0.437 298 R N 2.448 122.369 120.500 -0.964 0.000 2.083 298 R HA -0.086 4.253 4.340 -0.001 0.000 0.237 298 R C 0.525 176.664 176.300 -0.270 0.000 1.137 298 R CA 1.070 56.792 56.100 -0.630 0.000 0.951 298 R CB 0.290 30.462 30.300 -0.214 0.000 0.851 298 R HN 0.344 nan 8.270 nan 0.000 0.434 299 I N 2.491 122.937 120.570 -0.206 0.000 2.336 299 I HA 0.298 4.467 4.170 -0.001 0.000 0.292 299 I C -2.266 173.752 176.117 -0.164 0.000 0.991 299 I CA -3.417 57.800 61.300 -0.139 0.000 1.227 299 I CB 1.031 38.971 38.000 -0.100 0.000 1.366 299 I HN -0.067 nan 8.210 nan 0.000 0.466 300 P HA 0.186 nan 4.420 nan 0.000 0.264 300 P C 0.854 178.089 177.300 -0.108 0.000 1.193 300 P CA 0.608 63.643 63.100 -0.108 0.000 0.763 300 P CB 0.604 32.263 31.700 -0.069 0.000 0.810 301 G N 2.301 111.038 108.800 -0.105 0.000 2.175 301 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.244 301 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.244 301 G C 0.042 174.824 174.900 -0.197 0.000 0.982 301 G CA -0.322 44.723 45.100 -0.092 0.000 0.641 301 G HN 0.590 nan 8.290 nan 0.000 0.527 302 Q N 0.918 120.568 119.800 -0.251 0.000 3.064 302 Q HA 0.265 4.604 4.340 -0.001 0.000 0.258 302 Q C -2.737 173.153 176.000 -0.183 0.000 0.972 302 Q CA -1.672 53.918 55.803 -0.355 0.000 0.761 302 Q CB 2.488 30.979 28.738 -0.412 0.000 1.281 302 Q HN 0.375 nan 8.270 nan 0.000 0.455 303 P HA 0.109 nan 4.420 nan 0.000 0.271 303 P C -0.606 176.629 177.300 -0.109 0.000 1.216 303 P CA 0.214 63.226 63.100 -0.147 0.000 0.771 303 P CB 1.160 32.771 31.700 -0.149 0.000 0.864 304 L N 3.141 124.274 121.223 -0.149 0.000 2.309 304 L HA 0.516 4.855 4.340 -0.001 0.000 0.261 304 L C -0.304 176.382 176.870 -0.306 0.000 1.021 304 L CA -1.168 53.605 54.840 -0.110 0.000 0.823 304 L CB 1.427 43.431 42.059 -0.092 0.000 1.366 304 L HN 0.290 nan 8.230 nan 0.000 0.423 305 Y N -0.226 119.959 120.300 -0.191 0.000 2.446 305 Y HA 0.560 5.110 4.550 -0.001 0.000 0.338 305 Y C -1.022 174.643 175.900 -0.392 0.000 1.055 305 Y CA -0.744 57.274 58.100 -0.137 0.000 1.101 305 Y CB 1.447 39.835 38.460 -0.119 0.000 1.221 305 Y HN 0.199 nan 8.280 nan 0.000 0.460 306 Y N 0.600 120.992 120.300 0.152 0.000 2.329 306 Y HA 0.658 5.208 4.550 -0.001 0.000 0.328 306 Y C -0.253 175.669 175.900 0.035 0.000 0.992 306 Y CA -1.282 56.879 58.100 0.103 0.000 1.151 306 Y CB 1.648 40.188 38.460 0.134 0.000 1.150 306 Y HN 0.705 nan 8.280 nan 0.000 0.450 307 A N 2.414 125.306 122.820 0.119 0.000 2.289 307 A HA 0.597 4.917 4.320 -0.001 0.000 0.298 307 A C 0.313 177.984 177.584 0.145 0.000 1.208 307 A CA -0.499 51.568 52.037 0.050 0.000 0.845 307 A CB 0.231 19.340 19.000 0.182 0.000 1.125 307 A HN 0.757 nan 8.150 nan 0.000 0.517 308 S N 2.560 118.331 115.700 0.119 0.000 2.608 308 S HA 0.267 4.737 4.470 -0.001 0.000 0.261 308 S C 0.111 174.843 174.600 0.220 0.000 1.314 308 S CA -0.539 57.781 58.200 0.199 0.000 0.992 308 S CB 0.306 63.634 63.200 0.214 0.000 0.935 308 S HN 0.671 nan 8.310 nan 0.000 0.564 309 E N 1.020 121.337 120.200 0.196 0.000 2.437 309 E HA 0.041 4.391 4.350 -0.001 0.000 0.263 309 E C 0.759 177.469 176.600 0.184 0.000 1.030 309 E CA 0.620 57.123 56.400 0.172 0.000 0.934 309 E CB 0.031 29.807 29.700 0.126 0.000 0.943 309 E HN 0.841 nan 8.360 nan 0.000 0.444 310 E N -0.024 120.274 120.200 0.163 0.000 3.975 310 E HA -0.322 4.027 4.350 -0.001 0.000 0.342 310 E C 0.900 177.589 176.600 0.149 0.000 0.677 310 E CA 0.867 57.345 56.400 0.131 0.000 1.238 310 E CB -1.467 28.292 29.700 0.098 0.000 1.665 310 E HN 0.533 nan 8.360 nan 0.000 0.429 311 F N 1.588 121.589 119.950 0.086 0.000 2.134 311 F HA -0.098 4.429 4.527 -0.001 0.000 0.299 311 F C 1.317 177.167 175.800 0.084 0.000 1.097 311 F CA 1.639 59.684 58.000 0.076 0.000 1.264 311 F CB 0.346 39.389 39.000 0.072 0.000 1.001 311 F HN 0.003 nan 8.300 nan 0.000 0.479 312 V N 0.018 120.029 119.914 0.162 0.000 2.667 312 V HA 0.398 4.517 4.120 -0.001 0.000 0.308 312 V C -0.545 175.597 176.094 0.080 0.000 1.048 312 V CA -0.839 61.504 62.300 0.071 0.000 0.928 312 V CB 1.626 33.560 31.823 0.185 0.000 1.004 312 V HN 0.150 nan 8.190 nan 0.000 0.444 313 Q N 3.261 123.079 119.800 0.030 0.000 2.402 313 Q HA 0.627 4.966 4.340 -0.001 0.000 0.238 313 Q C 0.163 176.205 176.000 0.071 0.000 1.126 313 Q CA 0.372 56.201 55.803 0.043 0.000 0.904 313 Q CB 1.047 29.794 28.738 0.015 0.000 1.357 313 Q HN 1.148 nan 8.270 nan 0.000 0.491 314 G N 1.876 110.710 108.800 0.058 0.000 2.646 314 G HA2 0.512 4.472 3.960 -0.001 0.000 0.291 314 G HA3 0.512 4.472 3.960 -0.001 0.000 0.291 314 G C -1.822 172.929 174.900 -0.248 0.000 1.445 314 G CA -0.462 44.584 45.100 -0.090 0.000 0.814 314 G HN 0.422 nan 8.290 nan 0.000 0.495 315 E N -0.513 119.290 120.200 -0.661 0.000 2.378 315 E HA 0.444 4.794 4.350 -0.001 0.000 0.283 315 E C -1.887 174.392 176.600 -0.534 0.000 0.979 315 E CA -0.785 55.345 56.400 -0.451 0.000 0.795 315 E CB 2.467 31.967 29.700 -0.333 0.000 1.221 315 E HN 0.489 nan 8.360 nan 0.000 0.428 316 L N 4.159 125.238 121.223 -0.241 0.000 2.334 316 L HA 0.593 4.932 4.340 -0.001 0.000 0.277 316 L C -1.576 175.164 176.870 -0.216 0.000 1.075 316 L CA 0.175 55.025 54.840 0.017 0.000 0.804 316 L CB 0.554 42.743 42.059 0.218 0.000 1.174 316 L HN 0.501 nan 8.230 nan 0.000 0.438 317 F N 3.331 123.318 119.950 0.060 0.000 2.546 317 F HA 0.487 5.013 4.527 -0.001 0.000 0.320 317 F C 0.000 175.759 175.800 -0.070 0.000 1.076 317 F CA -0.771 57.227 58.000 -0.003 0.000 0.928 317 F CB 1.624 40.620 39.000 -0.006 0.000 1.189 317 F HN 0.331 nan 8.300 nan 0.000 0.465 318 K N 3.491 123.886 120.400 -0.008 0.000 2.227 318 K HA 0.443 4.763 4.320 -0.001 0.000 0.280 318 K C 0.428 176.762 176.600 -0.444 0.000 1.041 318 K CA -0.259 55.758 56.287 -0.449 0.000 0.905 318 K CB 0.757 32.996 32.500 -0.434 0.000 1.068 318 K HN 0.836 nan 8.250 nan 0.000 0.470 319 I N 0.103 120.253 120.570 -0.699 0.000 4.323 319 I HA 0.163 4.333 4.170 -0.001 0.000 0.328 319 I C 0.129 175.922 176.117 -0.540 0.000 1.310 319 I CA -0.319 60.510 61.300 -0.785 0.000 1.186 319 I CB 0.933 38.018 38.000 -1.524 0.000 1.130 319 I HN 0.464 nan 8.210 nan 0.000 0.411 320 T N -1.823 112.409 114.554 -0.537 0.000 2.916 320 T HA 0.586 4.936 4.350 -0.001 0.000 0.292 320 T C -1.025 173.492 174.700 -0.305 0.000 1.055 320 T CA -0.457 61.429 62.100 -0.357 0.000 1.009 320 T CB 2.512 71.140 68.868 -0.400 0.000 1.118 320 T HN 0.132 nan 8.240 nan 0.000 0.497 321 D N 0.662 120.966 120.400 -0.160 0.000 2.752 321 D HA 0.338 4.978 4.640 -0.001 0.000 0.242 321 D C -1.209 175.082 176.300 -0.016 0.000 1.295 321 D CA -0.033 53.903 54.000 -0.107 0.000 0.846 321 D CB 0.781 41.523 40.800 -0.097 0.000 1.454 321 D HN 0.650 nan 8.370 nan 0.000 0.535 322 T N 1.764 116.330 114.554 0.020 0.000 2.900 322 T HA 0.436 4.785 4.350 -0.001 0.000 0.295 322 T C -2.013 172.743 174.700 0.094 0.000 1.044 322 T CA -1.416 60.757 62.100 0.121 0.000 0.995 322 T CB 2.362 71.367 68.868 0.228 0.000 1.072 322 T HN -0.078 nan 8.240 nan 0.000 0.473 323 P HA 0.065 nan 4.420 nan 0.000 0.229 323 P C -0.132 177.100 177.300 -0.114 0.000 1.160 323 P CA 0.513 63.545 63.100 -0.114 0.000 0.777 323 P CB -0.057 31.477 31.700 -0.275 0.000 0.814 324 Y N -1.554 118.802 120.300 0.093 0.000 2.426 324 Y HA 0.022 4.571 4.550 -0.000 0.000 0.344 324 Y C 0.977 177.011 175.900 0.224 0.000 1.256 324 Y CA -0.432 57.784 58.100 0.194 0.000 1.451 324 Y CB -0.090 38.536 38.460 0.277 0.000 1.342 324 Y HN -0.112 nan 8.280 nan 0.000 0.600 325 Y N 3.157 123.633 120.300 0.294 0.000 2.674 325 Y HA 0.087 4.637 4.550 -0.000 0.000 0.354 325 Y C -0.661 175.347 175.900 0.181 0.000 1.089 325 Y CA -0.622 57.560 58.100 0.137 0.000 1.444 325 Y CB -0.740 37.712 38.460 -0.013 0.000 1.187 325 Y HN 0.461 nan 8.280 nan 0.000 0.523 326 N N 4.799 123.593 118.700 0.157 0.000 2.469 326 N HA 0.704 5.443 4.740 -0.001 0.000 0.253 326 N C -0.922 174.539 175.510 -0.083 0.000 0.970 326 N CA -0.340 52.809 53.050 0.164 0.000 0.940 326 N CB 1.173 39.643 38.487 -0.029 0.000 1.128 326 N HN 0.615 nan 8.380 nan 0.000 0.503 327 A N 1.345 124.155 122.820 -0.017 0.000 2.524 327 A HA 0.579 4.899 4.320 -0.001 0.000 0.303 327 A C -1.332 176.246 177.584 -0.010 0.000 1.195 327 A CA -0.728 51.052 52.037 -0.427 0.000 0.651 327 A CB 0.733 18.955 19.000 -1.296 0.000 1.323 327 A HN 0.692 nan 8.150 nan 0.000 0.479 328 W N -2.425 118.965 121.300 0.149 0.000 5.820 328 W HA -0.107 4.553 4.660 -0.001 0.000 0.415 328 W C -2.289 174.330 176.519 0.167 0.000 1.627 328 W CA 0.214 57.645 57.345 0.142 0.000 0.991 328 W CB -2.244 27.262 29.460 0.076 0.000 2.842 328 W HN 0.543 nan 8.180 nan 0.000 1.416 329 P HA -0.175 nan 4.420 nan 0.000 0.222 329 P C 1.139 178.598 177.300 0.264 0.000 1.147 329 P CA 1.686 64.942 63.100 0.259 0.000 0.790 329 P CB 0.134 31.928 31.700 0.156 0.000 0.780 330 Q N 1.001 120.989 119.800 0.314 0.000 2.308 330 Q HA -0.041 4.298 4.340 -0.001 0.000 0.313 330 Q C -0.504 175.601 176.000 0.176 0.000 1.075 330 Q CA 0.343 56.337 55.803 0.319 0.000 0.995 330 Q CB -0.221 28.841 28.738 0.540 0.000 1.107 330 Q HN -0.054 nan 8.270 nan 0.000 0.380 331 D N 2.808 123.171 120.400 -0.062 0.000 2.432 331 D HA 0.228 4.868 4.640 -0.001 0.000 0.265 331 D C -0.554 175.790 176.300 0.074 0.000 1.160 331 D CA -0.537 53.459 54.000 -0.007 0.000 0.911 331 D CB 0.602 41.290 40.800 -0.186 0.000 1.052 331 D HN 0.656 nan 8.370 nan 0.000 0.508 332 K N 0.844 121.336 120.400 0.154 0.000 2.481 332 K HA 0.364 4.684 4.320 -0.001 0.000 0.210 332 K C 0.505 177.276 176.600 0.285 0.000 1.161 332 K CA -0.429 55.972 56.287 0.189 0.000 1.023 332 K CB 1.350 33.968 32.500 0.197 0.000 0.971 332 K HN 0.283 nan 8.250 nan 0.000 0.577 333 A N 1.832 124.795 122.820 0.237 0.000 2.407 333 A HA 0.498 4.818 4.320 -0.001 0.000 0.248 333 A C -0.212 177.533 177.584 0.267 0.000 1.082 333 A CA 0.042 52.190 52.037 0.184 0.000 0.785 333 A CB -0.262 18.821 19.000 0.139 0.000 1.020 333 A HN 0.276 nan 8.150 nan 0.000 0.489 334 F N -0.158 119.838 119.950 0.077 0.000 2.686 334 F HA 0.634 5.161 4.527 -0.000 0.000 0.311 334 F C -0.806 175.052 175.800 0.097 0.000 1.128 334 F CA -1.346 56.684 58.000 0.051 0.000 0.946 334 F CB 1.217 40.186 39.000 -0.051 0.000 1.336 334 F HN 0.623 nan 8.300 nan 0.000 0.457 335 V N 1.893 121.956 119.914 0.248 0.000 2.513 335 V HA 0.728 4.847 4.120 -0.001 0.000 0.299 335 V C -2.258 174.065 176.094 0.382 0.000 1.035 335 V CA -0.601 61.813 62.300 0.190 0.000 0.889 335 V CB 1.528 33.379 31.823 0.047 0.000 0.988 335 V HN 0.987 nan 8.190 nan 0.000 0.440 336 Y N 4.159 124.595 120.300 0.227 0.000 2.354 336 Y HA 0.446 4.996 4.550 -0.001 0.000 0.330 336 Y C 0.291 176.268 175.900 0.128 0.000 1.011 336 Y CA -0.618 57.592 58.100 0.184 0.000 1.099 336 Y CB 1.538 40.096 38.460 0.163 0.000 1.179 336 Y HN 0.953 nan 8.280 nan 0.000 0.442 337 E N 5.068 124.996 120.200 -0.454 0.000 2.197 337 E HA -0.408 3.941 4.350 -0.001 0.000 0.184 337 E C 0.007 176.528 176.600 -0.132 0.000 1.439 337 E CA 1.308 57.508 56.400 -0.333 0.000 0.688 337 E CB -1.087 28.344 29.700 -0.448 0.000 1.090 337 E HN 0.984 nan 8.360 nan 0.000 0.341 338 N N -2.499 116.144 118.700 -0.094 0.000 2.900 338 N HA -0.210 4.530 4.740 -0.001 0.000 0.240 338 N C -0.471 174.950 175.510 -0.148 0.000 0.953 338 N CA 1.261 54.255 53.050 -0.095 0.000 0.950 338 N CB -0.386 38.049 38.487 -0.087 0.000 1.102 338 N HN 0.198 nan 8.380 nan 0.000 0.593 339 V N 1.537 121.372 119.914 -0.132 0.000 2.427 339 V HA 0.427 4.546 4.120 -0.001 0.000 0.286 339 V C 0.516 176.407 176.094 -0.339 0.000 1.034 339 V CA -0.550 61.567 62.300 -0.306 0.000 0.893 339 V CB 1.554 33.148 31.823 -0.381 0.000 0.982 339 V HN 0.090 nan 8.190 nan 0.000 0.452 340 I N 5.159 125.398 120.570 -0.552 0.000 2.325 340 I HA 0.334 4.504 4.170 -0.001 0.000 0.291 340 I C -0.924 174.808 176.117 -0.641 0.000 1.019 340 I CA -0.275 60.718 61.300 -0.512 0.000 1.302 340 I CB 0.617 38.240 38.000 -0.629 0.000 1.401 340 I HN 0.492 nan 8.210 nan 0.000 0.485 341 Y N 4.646 124.558 120.300 -0.647 0.000 2.331 341 Y HA 0.574 5.123 4.550 -0.000 0.000 0.338 341 Y C 0.360 176.025 175.900 -0.391 0.000 0.992 341 Y CA -0.849 56.782 58.100 -0.782 0.000 1.121 341 Y CB 1.862 39.327 38.460 -1.659 0.000 1.184 341 Y HN 0.574 nan 8.280 nan 0.000 0.469 342 A N 6.219 129.060 122.820 0.036 0.000 2.786 342 A HA 0.584 4.903 4.320 -0.001 0.000 0.346 342 A C -2.915 174.874 177.584 0.341 0.000 1.265 342 A CA -1.775 50.351 52.037 0.147 0.000 0.858 342 A CB -0.158 18.873 19.000 0.051 0.000 1.118 342 A HN 0.395 nan 8.150 nan 0.000 0.482 343 P HA 0.516 nan 4.420 nan 0.000 0.274 343 P C -0.711 176.856 177.300 0.445 0.000 1.231 343 P CA 0.129 63.513 63.100 0.474 0.000 0.790 343 P CB 0.399 32.366 31.700 0.445 0.000 0.951 344 Y N -1.796 118.626 120.300 0.202 0.000 2.871 344 Y HA 0.688 5.237 4.550 -0.001 0.000 0.331 344 Y C -1.525 174.479 175.900 0.173 0.000 1.378 344 Y CA -1.410 56.799 58.100 0.182 0.000 1.079 344 Y CB 0.840 39.387 38.460 0.146 0.000 1.441 344 Y HN 0.060 nan 8.280 nan 0.000 0.446 345 M N 1.706 121.514 119.600 0.347 0.000 2.253 345 M HA 0.549 5.029 4.480 -0.001 0.000 0.314 345 M C -0.427 176.119 176.300 0.409 0.000 1.019 345 M CA -0.779 54.629 55.300 0.180 0.000 0.932 345 M CB 2.278 34.942 32.600 0.108 0.000 1.606 345 M HN 0.931 nan 8.290 nan 0.000 0.430 346 G N 1.833 110.721 108.800 0.147 0.000 2.377 346 G HA2 0.582 4.542 3.960 -0.001 0.000 0.316 346 G HA3 0.582 4.542 3.960 -0.001 0.000 0.316 346 G C -0.263 174.689 174.900 0.088 0.000 1.115 346 G CA -0.270 44.978 45.100 0.246 0.000 0.952 346 G HN 0.775 nan 8.290 nan 0.000 0.441 347 S N 0.767 116.648 115.700 0.302 0.000 3.081 347 S HA 0.630 5.100 4.470 -0.001 0.000 0.316 347 S C 0.239 175.014 174.600 0.291 0.000 1.089 347 S CA 0.040 58.360 58.200 0.200 0.000 0.897 347 S CB 1.873 65.129 63.200 0.094 0.000 1.358 347 S HN 0.419 nan 8.310 nan 0.000 0.678 348 D N -0.651 119.809 120.400 0.101 0.000 2.469 348 D HA 0.251 4.891 4.640 -0.001 0.000 0.213 348 D C 0.490 176.610 176.300 -0.300 0.000 1.135 348 D CA -0.273 53.655 54.000 -0.119 0.000 0.834 348 D CB 0.082 40.926 40.800 0.073 0.000 1.009 348 D HN 0.786 nan 8.370 nan 0.000 0.507 349 R N -1.740 118.625 120.500 -0.226 0.000 2.789 349 R HA 0.257 4.597 4.340 -0.001 0.000 0.279 349 R C -1.507 174.650 176.300 -0.239 0.000 1.010 349 R CA -0.787 55.141 56.100 -0.287 0.000 0.855 349 R CB -0.202 30.042 30.300 -0.093 0.000 1.312 349 R HN -0.193 nan 8.270 nan 0.000 0.479 350 H N -0.160 118.746 119.070 -0.274 0.000 3.330 350 H HA 0.512 5.067 4.556 -0.001 0.000 0.260 350 H C 0.335 175.561 175.328 -0.170 0.000 1.439 350 H CA 1.677 57.659 56.048 -0.110 0.000 1.540 350 H CB 0.338 30.117 29.762 0.027 0.000 1.698 350 H HN 0.872 nan 8.280 nan 0.000 0.516 351 G N -0.062 108.609 108.800 -0.214 0.000 2.341 351 G HA2 0.098 4.058 3.960 -0.001 0.000 0.293 351 G HA3 0.098 4.058 3.960 -0.001 0.000 0.293 351 G C 0.034 174.826 174.900 -0.179 0.000 1.298 351 G CA -0.239 44.758 45.100 -0.172 0.000 0.868 351 G HN 0.527 nan 8.290 nan 0.000 0.540 352 V N -1.979 117.858 119.914 -0.129 0.000 3.542 352 V HA 0.527 4.647 4.120 -0.001 0.000 0.296 352 V C 1.201 177.280 176.094 -0.024 0.000 1.364 352 V CA 0.902 63.145 62.300 -0.094 0.000 1.118 352 V CB 0.041 31.810 31.823 -0.091 0.000 0.972 352 V HN 1.284 nan 8.190 nan 0.000 0.430 353 S N 1.693 117.385 115.700 -0.013 0.000 2.546 353 S HA 0.255 4.724 4.470 -0.001 0.000 0.290 353 S C 1.148 175.813 174.600 0.108 0.000 1.290 353 S CA 0.354 58.602 58.200 0.081 0.000 1.069 353 S CB -0.351 62.872 63.200 0.038 0.000 0.846 353 S HN 0.761 nan 8.310 nan 0.000 0.495 354 R N -0.128 120.484 120.500 0.187 0.000 3.863 354 R HA -0.186 4.154 4.340 -0.001 0.000 0.313 354 R C -0.350 175.822 176.300 -0.213 0.000 1.202 354 R CA 0.569 56.677 56.100 0.012 0.000 0.852 354 R CB -1.969 28.456 30.300 0.208 0.000 1.292 354 R HN 0.481 nan 8.270 nan 0.000 0.519 355 L N 1.945 123.006 121.223 -0.269 0.000 2.305 355 L HA 0.314 4.653 4.340 -0.001 0.000 0.281 355 L C -0.058 176.441 176.870 -0.617 0.000 1.085 355 L CA -0.064 54.585 54.840 -0.318 0.000 0.813 355 L CB 0.610 42.565 42.059 -0.175 0.000 1.157 355 L HN 0.064 nan 8.230 nan 0.000 0.436 356 H N 4.496 123.302 119.070 -0.440 0.000 2.547 356 H HA 0.353 4.909 4.556 -0.001 0.000 0.342 356 H C -0.656 174.462 175.328 -0.349 0.000 1.048 356 H CA -0.748 54.989 56.048 -0.518 0.000 1.204 356 H CB 2.112 31.232 29.762 -1.070 0.000 1.493 356 H HN 0.413 nan 8.280 nan 0.000 0.511 357 V N 3.548 123.360 119.914 -0.171 0.000 2.529 357 V HA 0.078 4.198 4.120 -0.001 0.000 0.292 357 V C 0.483 176.460 176.094 -0.194 0.000 1.028 357 V CA 0.445 62.626 62.300 -0.198 0.000 1.074 357 V CB 0.609 32.297 31.823 -0.224 0.000 0.958 357 V HN 0.740 nan 8.190 nan 0.000 0.481 358 S N 3.552 119.053 115.700 -0.331 0.000 2.667 358 S HA 0.856 5.326 4.470 -0.001 0.000 0.292 358 S C -1.227 173.231 174.600 -0.237 0.000 1.126 358 S CA -0.669 57.312 58.200 -0.365 0.000 0.881 358 S CB 2.187 65.011 63.200 -0.627 0.000 1.132 358 S HN 0.867 nan 8.310 nan 0.000 0.492 359 W N 0.380 121.667 121.300 -0.022 0.000 3.118 359 W HA 0.770 5.430 4.660 -0.001 0.000 0.328 359 W C -1.583 175.104 176.519 0.280 0.000 1.239 359 W CA -1.463 55.993 57.345 0.185 0.000 1.176 359 W CB -0.372 29.200 29.460 0.186 0.000 1.433 359 W HN 0.601 nan 8.180 nan 0.000 0.562 360 V N -0.131 120.145 119.914 0.603 0.000 2.919 360 V HA 0.832 4.951 4.120 -0.001 0.000 0.316 360 V C -0.531 175.669 176.094 0.175 0.000 1.077 360 V CA -1.621 60.897 62.300 0.363 0.000 0.977 360 V CB 1.693 33.693 31.823 0.295 0.000 1.039 360 V HN 0.643 nan 8.190 nan 0.000 0.441 361 K N 1.147 121.538 120.400 -0.015 0.000 2.435 361 K HA 0.730 5.049 4.320 -0.001 0.000 0.251 361 K C -1.020 175.202 176.600 -0.631 0.000 0.954 361 K CA -0.553 55.456 56.287 -0.464 0.000 0.820 361 K CB 2.215 34.211 32.500 -0.839 0.000 1.292 361 K HN 0.783 nan 8.250 nan 0.000 0.436 362 S N -0.144 114.881 115.700 -1.125 0.000 2.502 362 S HA 0.502 4.972 4.470 -0.001 0.000 0.304 362 S C 0.250 174.369 174.600 -0.801 0.000 1.097 362 S CA -0.561 56.871 58.200 -1.279 0.000 1.045 362 S CB 1.136 63.050 63.200 -2.144 0.000 1.019 362 S HN 0.789 nan 8.310 nan 0.000 0.481 363 G N 2.018 110.482 108.800 -0.560 0.000 3.393 363 G HA2 0.205 4.164 3.960 -0.001 0.000 0.255 363 G HA3 0.205 4.164 3.960 -0.001 0.000 0.255 363 G C -0.133 174.597 174.900 -0.284 0.000 1.097 363 G CA -0.221 44.657 45.100 -0.371 0.000 0.780 363 G HN 0.779 nan 8.290 nan 0.000 0.540 364 D N -0.838 119.360 120.400 -0.337 0.000 2.908 364 D HA 0.167 4.807 4.640 -0.001 0.000 0.361 364 D C -0.149 175.989 176.300 -0.270 0.000 1.416 364 D CA -0.798 53.079 54.000 -0.205 0.000 0.796 364 D CB -0.216 40.561 40.800 -0.039 0.000 1.185 364 D HN -0.053 nan 8.370 nan 0.000 0.451 365 D N 0.153 120.352 120.400 -0.336 0.000 2.870 365 D HA -0.117 4.522 4.640 -0.001 0.000 0.228 365 D C 1.323 177.435 176.300 -0.314 0.000 1.147 365 D CA 1.658 55.492 54.000 -0.277 0.000 0.757 365 D CB -1.451 39.260 40.800 -0.148 0.000 1.091 365 D HN 0.780 nan 8.370 nan 0.000 0.429 366 G N -0.685 107.776 108.800 -0.566 0.000 2.176 366 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.232 366 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.232 366 G C 0.929 175.383 174.900 -0.744 0.000 0.986 366 G CA 0.575 45.337 45.100 -0.563 0.000 0.643 366 G HN 0.461 nan 8.290 nan 0.000 0.522 367 Q N -0.512 118.915 119.800 -0.623 0.000 2.167 367 Q HA 0.083 4.423 4.340 -0.001 0.000 0.202 367 Q C 0.688 176.578 176.000 -0.184 0.000 0.970 367 Q CA 1.519 57.047 55.803 -0.458 0.000 0.855 367 Q CB 0.214 28.665 28.738 -0.478 0.000 0.911 367 Q HN 0.436 nan 8.270 nan 0.000 0.438 368 T N -0.529 113.864 114.554 -0.268 0.000 2.956 368 T HA 0.421 4.771 4.350 -0.001 0.000 0.312 368 T C -1.957 172.497 174.700 -0.410 0.000 1.151 368 T CA -0.598 61.438 62.100 -0.106 0.000 1.024 368 T CB 0.998 69.915 68.868 0.083 0.000 1.140 368 T HN 0.094 nan 8.240 nan 0.000 0.473 369 W N 1.618 122.818 121.300 -0.167 0.000 2.882 369 W HA 0.635 5.295 4.660 -0.001 0.000 0.345 369 W C 0.507 176.944 176.519 -0.136 0.000 1.125 369 W CA -0.716 56.523 57.345 -0.177 0.000 1.167 369 W CB 1.144 30.490 29.460 -0.191 0.000 1.431 369 W HN 0.702 nan 8.180 nan 0.000 0.543 370 S N -0.519 115.229 115.700 0.079 0.000 2.681 370 S HA 0.518 4.988 4.470 -0.001 0.000 0.270 370 S C -0.020 174.619 174.600 0.065 0.000 1.209 370 S CA -0.717 57.496 58.200 0.022 0.000 0.988 370 S CB 0.639 63.821 63.200 -0.029 0.000 1.006 370 S HN 0.338 nan 8.310 nan 0.000 0.558 371 T N 3.552 118.126 114.554 0.033 0.000 2.902 371 T HA 0.272 4.621 4.350 -0.001 0.000 0.301 371 T C -2.341 172.400 174.700 0.069 0.000 1.012 371 T CA -0.342 61.774 62.100 0.027 0.000 1.151 371 T CB -0.224 68.632 68.868 -0.021 0.000 0.946 371 T HN 0.489 nan 8.240 nan 0.000 0.542 372 P HA 0.103 nan 4.420 nan 0.000 0.264 372 P C -0.286 177.020 177.300 0.011 0.000 1.183 372 P CA 0.051 63.246 63.100 0.158 0.000 0.763 372 P CB 0.463 32.291 31.700 0.214 0.000 0.807 373 E N 2.567 122.821 120.200 0.091 0.000 2.199 373 E HA 0.228 4.578 4.350 -0.001 0.000 0.269 373 E C -1.037 175.544 176.600 -0.032 0.000 0.899 373 E CA -0.768 55.616 56.400 -0.028 0.000 0.772 373 E CB 0.693 30.458 29.700 0.110 0.000 1.155 373 E HN 0.280 nan 8.360 nan 0.000 0.408 374 W N 5.804 127.016 121.300 -0.147 0.000 2.335 374 W HA 0.218 4.878 4.660 -0.001 0.000 0.306 374 W C 0.612 177.049 176.519 -0.137 0.000 1.216 374 W CA -0.605 56.627 57.345 -0.188 0.000 1.237 374 W CB 0.416 29.717 29.460 -0.264 0.000 1.243 374 W HN 0.690 nan 8.180 nan 0.000 0.493 375 L N 2.261 123.505 121.223 0.036 0.000 2.354 375 L HA 0.039 4.379 4.340 -0.001 0.000 0.212 375 L C 1.297 178.259 176.870 0.154 0.000 1.091 375 L CA 0.818 55.684 54.840 0.044 0.000 0.828 375 L CB -0.466 41.508 42.059 -0.142 0.000 0.973 375 L HN 0.276 nan 8.230 nan 0.000 0.461 376 T N -3.811 110.780 114.554 0.062 0.000 2.912 376 T HA 0.420 4.769 4.350 -0.001 0.000 0.288 376 T C -0.490 174.323 174.700 0.189 0.000 1.030 376 T CA -0.962 61.168 62.100 0.050 0.000 1.020 376 T CB 2.403 71.169 68.868 -0.169 0.000 1.056 376 T HN -0.179 nan 8.240 nan 0.000 0.480 377 D N 0.831 121.359 120.400 0.215 0.000 2.423 377 D HA 0.340 4.980 4.640 -0.001 0.000 0.255 377 D C 0.495 176.858 176.300 0.105 0.000 1.174 377 D CA -0.528 53.590 54.000 0.197 0.000 1.008 377 D CB 0.954 41.859 40.800 0.175 0.000 1.101 377 D HN 0.497 nan 8.370 nan 0.000 0.516 378 L N 1.307 122.469 121.223 -0.103 0.000 2.490 378 L HA -0.021 4.319 4.340 -0.001 0.000 0.274 378 L C 1.180 178.025 176.870 -0.042 0.000 1.201 378 L CA 0.048 54.730 54.840 -0.263 0.000 0.869 378 L CB 0.117 41.839 42.059 -0.561 0.000 1.123 378 L HN 0.338 nan 8.230 nan 0.000 0.484 379 H N 5.887 124.799 119.070 -0.263 0.000 2.972 379 H HA 0.008 4.563 4.556 -0.001 0.000 0.343 379 H C -1.698 173.582 175.328 -0.080 0.000 1.054 379 H CA -1.336 54.492 56.048 -0.365 0.000 1.412 379 H CB 1.343 30.669 29.762 -0.726 0.000 1.385 379 H HN 0.365 nan 8.280 nan 0.000 0.600 380 P HA -0.159 nan 4.420 nan 0.000 0.217 380 P C 0.360 177.784 177.300 0.206 0.000 1.148 380 P CA 1.486 64.627 63.100 0.067 0.000 0.834 380 P CB 0.322 31.999 31.700 -0.038 0.000 0.783 381 D N -2.968 117.691 120.400 0.432 0.000 2.358 381 D HA 0.020 4.659 4.640 -0.001 0.000 0.224 381 D C 0.363 176.688 176.300 0.043 0.000 1.123 381 D CA -0.386 53.714 54.000 0.166 0.000 0.833 381 D CB -0.651 40.200 40.800 0.083 0.000 0.946 381 D HN 0.207 nan 8.370 nan 0.000 0.505 382 Y N 3.082 123.367 120.300 -0.024 0.000 2.702 382 Y HA 0.029 4.579 4.550 -0.001 0.000 0.336 382 Y C -1.232 174.640 175.900 -0.048 0.000 1.235 382 Y CA -0.802 57.250 58.100 -0.079 0.000 1.492 382 Y CB 0.863 39.281 38.460 -0.069 0.000 1.308 382 Y HN -0.064 nan 8.280 nan 0.000 0.589 383 P HA 0.130 nan 4.420 nan 0.000 0.254 383 P C 0.356 177.320 177.300 -0.559 0.000 1.620 383 P CA 0.198 62.694 63.100 -1.007 0.000 1.050 383 P CB 0.371 31.589 31.700 -0.803 0.000 1.539 384 T N -0.575 113.773 114.554 -0.342 0.000 2.851 384 T HA 0.044 4.394 4.350 -0.001 0.000 0.262 384 T C 1.097 175.617 174.700 -0.299 0.000 1.043 384 T CA 1.150 63.092 62.100 -0.264 0.000 1.140 384 T CB -0.091 68.666 68.868 -0.185 0.000 0.872 384 T HN 0.152 nan 8.240 nan 0.000 0.446 385 V N -1.092 118.606 119.914 -0.360 0.000 3.130 385 V HA 0.744 4.864 4.120 -0.001 0.000 0.310 385 V C -1.108 174.748 176.094 -0.397 0.000 1.158 385 V CA -1.230 60.826 62.300 -0.407 0.000 1.029 385 V CB 2.303 33.806 31.823 -0.533 0.000 1.057 385 V HN 0.346 nan 8.190 nan 0.000 0.436 386 N N -0.658 117.839 118.700 -0.340 0.000 3.046 386 N HA 0.461 5.200 4.740 -0.001 0.000 0.243 386 N C -1.777 173.584 175.510 -0.248 0.000 1.452 386 N CA -0.615 52.279 53.050 -0.260 0.000 0.882 386 N CB 1.998 40.494 38.487 0.014 0.000 1.425 386 N HN 0.700 nan 8.380 nan 0.000 0.517 387 Y N 0.636 120.910 120.300 -0.043 0.000 2.281 387 Y HA 0.339 4.889 4.550 -0.001 0.000 0.337 387 Y C 0.617 176.461 175.900 -0.094 0.000 1.304 387 Y CA 0.251 58.284 58.100 -0.113 0.000 1.465 387 Y CB 0.346 38.672 38.460 -0.223 0.000 1.350 387 Y HN 0.339 nan 8.280 nan 0.000 0.575 388 H N -0.168 118.866 119.070 -0.061 0.000 3.112 388 H HA 0.407 4.962 4.556 -0.001 0.000 0.347 388 H C -1.903 173.331 175.328 -0.157 0.000 1.188 388 H CA -0.837 55.126 56.048 -0.142 0.000 1.240 388 H CB 1.850 31.523 29.762 -0.149 0.000 1.920 388 H HN 0.818 nan 8.280 nan 0.000 0.535 389 C N 6.275 125.315 119.300 -0.433 0.000 2.871 389 C HA 0.450 4.910 4.460 -0.001 0.000 0.378 389 C C -0.015 174.847 174.990 -0.213 0.000 1.052 389 C CA -0.382 58.490 59.018 -0.242 0.000 1.250 389 C CB 0.373 27.973 27.740 -0.234 0.000 1.689 389 C HN 0.950 nan 8.230 nan 0.000 0.506 390 M N 3.404 122.983 119.600 -0.034 0.000 2.414 390 M HA 0.241 4.720 4.480 -0.001 0.000 0.357 390 M C 0.215 176.555 176.300 0.068 0.000 1.059 390 M CA 0.291 55.631 55.300 0.067 0.000 0.959 390 M CB 0.760 33.508 32.600 0.246 0.000 1.522 390 M HN 0.621 nan 8.290 nan 0.000 0.551 391 S N 1.670 117.415 115.700 0.074 0.000 2.733 391 S HA 0.764 5.234 4.470 -0.001 0.000 0.294 391 S C -1.087 173.555 174.600 0.070 0.000 1.149 391 S CA -0.503 57.772 58.200 0.125 0.000 1.034 391 S CB 1.178 64.506 63.200 0.213 0.000 1.015 391 S HN 0.401 nan 8.310 nan 0.000 0.486 392 M N 4.692 124.292 119.600 -0.001 0.000 2.465 392 M HA 0.698 5.178 4.480 -0.001 0.000 0.284 392 M C -0.863 175.028 176.300 -0.681 0.000 1.212 392 M CA -0.112 55.048 55.300 -0.232 0.000 0.910 392 M CB 1.804 34.389 32.600 -0.025 0.000 1.725 392 M HN 0.855 nan 8.290 nan 0.000 0.477 393 G N 1.514 109.481 108.800 -1.388 0.000 2.430 393 G HA2 0.565 4.525 3.960 -0.001 0.000 0.300 393 G HA3 0.565 4.525 3.960 -0.001 0.000 0.300 393 G C -2.385 171.651 174.900 -1.441 0.000 1.330 393 G CA -0.573 43.462 45.100 -1.776 0.000 0.813 393 G HN 0.638 nan 8.290 nan 0.000 0.487 394 V N -0.506 118.873 119.914 -0.891 0.000 2.555 394 V HA 0.654 4.774 4.120 -0.001 0.000 0.302 394 V C -0.572 175.558 176.094 0.060 0.000 1.038 394 V CA -0.619 61.423 62.300 -0.430 0.000 0.887 394 V CB 1.405 32.936 31.823 -0.487 0.000 0.991 394 V HN 1.032 nan 8.190 nan 0.000 0.434 395 C N 6.002 125.479 119.300 0.294 0.000 2.446 395 C HA 0.645 5.105 4.460 -0.001 0.000 0.329 395 C C 0.668 176.000 174.990 0.571 0.000 1.166 395 C CA -0.798 58.504 59.018 0.473 0.000 1.341 395 C CB 0.328 28.406 27.740 0.564 0.000 1.970 395 C HN 1.027 nan 8.230 nan 0.000 0.452 396 R N 4.217 124.938 120.500 0.368 0.000 3.225 396 R HA -0.225 4.115 4.340 -0.001 0.000 0.245 396 R C 0.539 176.984 176.300 0.242 0.000 0.928 396 R CA 1.472 57.707 56.100 0.226 0.000 0.632 396 R CB -1.871 28.397 30.300 -0.054 0.000 1.038 396 R HN 1.081 nan 8.270 nan 0.000 0.461 397 N N -1.773 117.045 118.700 0.197 0.000 2.800 397 N HA -0.233 4.507 4.740 -0.001 0.000 0.250 397 N C -0.833 174.643 175.510 -0.057 0.000 1.078 397 N CA 1.524 54.629 53.050 0.091 0.000 0.804 397 N CB -0.397 38.178 38.487 0.147 0.000 1.135 397 N HN 0.550 nan 8.380 nan 0.000 0.565 398 R N 0.258 120.756 120.500 -0.004 0.000 2.670 398 R HA 0.522 4.862 4.340 -0.001 0.000 0.289 398 R C -0.834 175.309 176.300 -0.262 0.000 0.965 398 R CA -1.025 54.959 56.100 -0.193 0.000 0.899 398 R CB 1.746 31.855 30.300 -0.317 0.000 1.173 398 R HN 0.022 nan 8.270 nan 0.000 0.456 399 L N 2.764 123.778 121.223 -0.347 0.000 2.331 399 L HA 0.392 4.731 4.340 -0.001 0.000 0.278 399 L C -1.339 175.347 176.870 -0.307 0.000 1.106 399 L CA 0.489 55.131 54.840 -0.329 0.000 0.824 399 L CB 0.234 42.227 42.059 -0.110 0.000 1.142 399 L HN 0.417 nan 8.230 nan 0.000 0.443 400 F N 4.209 123.967 119.950 -0.320 0.000 2.495 400 F HA 0.787 5.313 4.527 -0.001 0.000 0.327 400 F C 0.204 175.859 175.800 -0.240 0.000 1.103 400 F CA -0.344 57.533 58.000 -0.206 0.000 0.949 400 F CB 2.007 40.807 39.000 -0.334 0.000 1.142 400 F HN 0.625 nan 8.300 nan 0.000 0.457 401 A N 3.230 126.098 122.820 0.081 0.000 2.486 401 A HA 0.733 5.053 4.320 -0.001 0.000 0.300 401 A C -1.398 176.151 177.584 -0.057 0.000 1.048 401 A CA -0.756 51.260 52.037 -0.035 0.000 0.696 401 A CB 1.508 20.444 19.000 -0.106 0.000 1.278 401 A HN 0.692 nan 8.150 nan 0.000 0.405 402 M N 3.731 123.299 119.600 -0.052 0.000 2.151 402 M HA 0.384 4.864 4.480 -0.001 0.000 0.349 402 M C -1.160 175.014 176.300 -0.210 0.000 1.284 402 M CA -0.708 54.551 55.300 -0.068 0.000 1.173 402 M CB -0.430 32.197 32.600 0.046 0.000 1.469 402 M HN 0.458 nan 8.290 nan 0.000 0.439 403 I N 4.954 125.262 120.570 -0.435 0.000 2.301 403 I HA 0.231 4.401 4.170 -0.001 0.000 0.292 403 I C 0.179 176.103 176.117 -0.321 0.000 1.046 403 I CA -0.083 60.820 61.300 -0.662 0.000 1.282 403 I CB 0.177 37.157 38.000 -1.700 0.000 1.409 403 I HN 0.662 nan 8.210 nan 0.000 0.484 404 E N 4.076 124.200 120.200 -0.127 0.000 2.277 404 E HA 0.408 4.758 4.350 -0.001 0.000 0.274 404 E C -0.424 176.215 176.600 0.066 0.000 1.022 404 E CA -0.497 55.897 56.400 -0.010 0.000 0.853 404 E CB 1.426 31.141 29.700 0.025 0.000 1.086 404 E HN 0.404 nan 8.360 nan 0.000 0.397 405 T N 2.856 117.436 114.554 0.044 0.000 2.771 405 T HA 0.448 4.798 4.350 -0.001 0.000 0.281 405 T C -0.349 174.287 174.700 -0.107 0.000 0.982 405 T CA -0.689 61.405 62.100 -0.010 0.000 0.978 405 T CB 0.629 69.511 68.868 0.023 0.000 0.930 405 T HN 0.283 nan 8.240 nan 0.000 0.447 406 R N 1.130 121.532 120.500 -0.164 0.000 2.795 406 R HA 0.581 4.920 4.340 -0.001 0.000 0.275 406 R C -0.100 176.077 176.300 -0.204 0.000 0.981 406 R CA -1.038 54.949 56.100 -0.189 0.000 0.917 406 R CB 1.489 31.644 30.300 -0.241 0.000 1.202 406 R HN 0.712 nan 8.270 nan 0.000 0.469 407 T N -0.466 113.979 114.554 -0.182 0.000 2.919 407 T HA 0.127 4.477 4.350 -0.001 0.000 0.302 407 T C 1.258 175.854 174.700 -0.174 0.000 1.031 407 T CA -0.564 61.429 62.100 -0.180 0.000 1.127 407 T CB 0.670 69.453 68.868 -0.142 0.000 0.952 407 T HN 0.361 nan 8.240 nan 0.000 0.540 408 L N 2.654 123.761 121.223 -0.193 0.000 2.141 408 L HA 0.086 4.426 4.340 -0.001 0.000 0.209 408 L C 2.902 179.693 176.870 -0.131 0.000 1.094 408 L CA 1.961 56.695 54.840 -0.176 0.000 0.763 408 L CB -1.118 40.796 42.059 -0.242 0.000 0.908 408 L HN 0.984 nan 8.230 nan 0.000 0.437 409 A N -0.628 122.119 122.820 -0.122 0.000 1.877 409 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 409 A C 2.094 179.635 177.584 -0.070 0.000 1.186 409 A CA 1.910 53.894 52.037 -0.087 0.000 0.620 409 A CB -0.180 18.772 19.000 -0.080 0.000 0.822 409 A HN 0.376 nan 8.150 nan 0.000 0.443 410 K N -2.389 117.963 120.400 -0.079 0.000 2.517 410 K HA 0.155 4.475 4.320 -0.001 0.000 0.210 410 K C 0.173 176.724 176.600 -0.082 0.000 1.166 410 K CA 0.210 56.458 56.287 -0.065 0.000 1.030 410 K CB 0.763 33.231 32.500 -0.054 0.000 0.974 410 K HN 0.300 nan 8.250 nan 0.000 0.585 411 N N 1.149 119.781 118.700 -0.112 0.000 2.725 411 N HA -0.193 4.546 4.740 -0.001 0.000 0.249 411 N C -0.978 174.438 175.510 -0.156 0.000 1.103 411 N CA 0.843 53.801 53.050 -0.153 0.000 0.707 411 N CB -1.070 37.325 38.487 -0.154 0.000 1.043 411 N HN 0.354 nan 8.380 nan 0.000 0.553 412 A N 0.318 123.062 122.820 -0.127 0.000 2.409 412 A HA 0.437 4.756 4.320 -0.001 0.000 0.262 412 A C 0.556 178.065 177.584 -0.126 0.000 1.113 412 A CA -0.408 51.563 52.037 -0.109 0.000 0.790 412 A CB 0.396 19.345 19.000 -0.084 0.000 1.046 412 A HN 0.440 nan 8.150 nan 0.000 0.496 413 L N 2.913 124.066 121.223 -0.117 0.000 2.453 413 L HA 0.362 4.702 4.340 -0.001 0.000 0.272 413 L C 0.983 177.805 176.870 -0.081 0.000 1.182 413 L CA 1.338 56.112 54.840 -0.111 0.000 0.858 413 L CB 0.878 42.880 42.059 -0.095 0.000 1.120 413 L HN 0.740 nan 8.230 nan 0.000 0.474 414 T N 3.637 118.146 114.554 -0.076 0.000 3.010 414 T HA 0.247 4.597 4.350 -0.001 0.000 0.252 414 T C -0.014 174.668 174.700 -0.030 0.000 0.963 414 T CA -0.036 62.027 62.100 -0.061 0.000 0.952 414 T CB -0.049 68.764 68.868 -0.092 0.000 1.182 414 T HN 0.707 nan 8.240 nan 0.000 0.495 415 N N -0.115 118.574 118.700 -0.018 0.000 2.636 415 N HA 0.284 5.024 4.740 -0.001 0.000 0.261 415 N C -1.962 173.553 175.510 0.010 0.000 1.195 415 N CA -0.340 52.718 53.050 0.013 0.000 0.902 415 N CB 1.748 40.270 38.487 0.059 0.000 1.627 415 N HN 0.110 nan 8.380 nan 0.000 0.491 416 C N 1.776 121.079 119.300 0.004 0.000 2.379 416 C HA 0.930 5.389 4.460 -0.001 0.000 0.323 416 C C 0.126 175.136 174.990 0.033 0.000 1.262 416 C CA -0.424 58.588 59.018 -0.010 0.000 1.581 416 C CB 0.173 27.873 27.740 -0.066 0.000 2.221 416 C HN 0.710 nan 8.230 nan 0.000 0.497 417 A N 2.542 125.385 122.820 0.038 0.000 2.393 417 A HA 0.774 5.094 4.320 -0.001 0.000 0.306 417 A C -1.236 176.421 177.584 0.121 0.000 1.050 417 A CA -0.456 51.661 52.037 0.134 0.000 0.724 417 A CB 0.918 20.095 19.000 0.295 0.000 1.248 417 A HN 0.854 nan 8.150 nan 0.000 0.424 418 L N 2.451 123.791 121.223 0.196 0.000 2.278 418 L HA 0.630 4.970 4.340 -0.001 0.000 0.287 418 L C -1.399 175.691 176.870 0.368 0.000 1.072 418 L CA -0.058 54.904 54.840 0.204 0.000 0.819 418 L CB -0.017 42.141 42.059 0.165 0.000 1.176 418 L HN 0.632 nan 8.230 nan 0.000 0.435 419 W N 3.995 125.243 121.300 -0.086 0.000 2.520 419 W HA 0.518 5.177 4.660 -0.001 0.000 0.323 419 W C -0.498 176.037 176.519 0.027 0.000 1.062 419 W CA -1.194 56.075 57.345 -0.126 0.000 1.215 419 W CB 1.270 30.392 29.460 -0.563 0.000 1.340 419 W HN 0.669 nan 8.180 nan 0.000 0.516 420 D N 0.671 121.236 120.400 0.276 0.000 2.596 420 D HA 0.772 5.411 4.640 -0.001 0.000 0.234 420 D C -1.147 175.089 176.300 -0.107 0.000 1.181 420 D CA -1.061 52.881 54.000 -0.098 0.000 0.856 420 D CB 2.167 42.395 40.800 -0.952 0.000 1.498 420 D HN 0.309 nan 8.370 nan 0.000 0.446 421 R N 0.410 120.688 120.500 -0.371 0.000 2.594 421 R HA 0.420 4.760 4.340 -0.001 0.000 0.265 421 R C -2.909 173.140 176.300 -0.418 0.000 1.070 421 R CA -1.986 53.777 56.100 -0.561 0.000 0.909 421 R CB 2.228 31.794 30.300 -1.224 0.000 1.243 421 R HN 0.411 nan 8.270 nan 0.000 0.455 422 P HA 0.092 nan 4.420 nan 0.000 0.275 422 P C -0.551 176.687 177.300 -0.104 0.000 1.227 422 P CA -0.226 62.730 63.100 -0.239 0.000 0.781 422 P CB 0.700 32.272 31.700 -0.213 0.000 0.906 423 M N 1.212 120.732 119.600 -0.132 0.000 2.242 423 M HA 0.133 4.613 4.480 -0.001 0.000 0.344 423 M C 0.716 177.037 176.300 0.035 0.000 1.140 423 M CA 0.199 55.422 55.300 -0.127 0.000 1.160 423 M CB -0.271 31.979 32.600 -0.584 0.000 1.491 423 M HN 0.275 nan 8.290 nan 0.000 0.459 424 S N 3.654 119.417 115.700 0.106 0.000 2.531 424 S HA 0.444 4.914 4.470 -0.001 0.000 0.279 424 S C 0.029 174.735 174.600 0.177 0.000 1.305 424 S CA -0.420 57.863 58.200 0.139 0.000 1.058 424 S CB 0.463 63.758 63.200 0.157 0.000 0.899 424 S HN 0.484 nan 8.310 nan 0.000 0.493 425 R N 1.271 121.846 120.500 0.126 0.000 2.707 425 R HA 0.526 4.866 4.340 -0.001 0.000 0.272 425 R C -1.351 174.958 176.300 0.016 0.000 1.011 425 R CA -0.682 55.473 56.100 0.092 0.000 0.893 425 R CB 1.800 32.157 30.300 0.096 0.000 1.233 425 R HN 0.470 nan 8.270 nan 0.000 0.464 426 S N 1.996 117.669 115.700 -0.045 0.000 2.454 426 S HA 0.545 5.015 4.470 -0.001 0.000 0.306 426 S C -0.644 173.746 174.600 -0.350 0.000 1.100 426 S CA -0.748 57.358 58.200 -0.158 0.000 1.087 426 S CB 0.790 63.924 63.200 -0.109 0.000 1.019 426 S HN 0.273 nan 8.310 nan 0.000 0.480 427 L N 4.271 125.232 121.223 -0.436 0.000 2.362 427 L HA 0.519 4.859 4.340 -0.001 0.000 0.275 427 L C -0.683 175.781 176.870 -0.676 0.000 0.998 427 L CA -0.784 53.760 54.840 -0.494 0.000 0.820 427 L CB 1.360 43.234 42.059 -0.309 0.000 1.270 427 L HN 0.616 nan 8.230 nan 0.000 0.415 428 H N 5.213 124.172 119.070 -0.184 0.000 2.638 428 H HA 0.547 5.103 4.556 -0.001 0.000 0.303 428 H C -0.677 174.424 175.328 -0.377 0.000 1.034 428 H CA -0.366 55.528 56.048 -0.257 0.000 1.225 428 H CB 1.556 31.286 29.762 -0.052 0.000 1.394 428 H HN 0.384 nan 8.280 nan 0.000 0.477 429 L N 1.505 122.364 121.223 -0.606 0.000 2.301 429 L HA 0.521 4.861 4.340 -0.001 0.000 0.264 429 L C 0.171 176.798 176.870 -0.405 0.000 1.016 429 L CA -0.799 53.704 54.840 -0.561 0.000 0.821 429 L CB 2.347 43.900 42.059 -0.842 0.000 1.346 429 L HN 0.373 nan 8.230 nan 0.000 0.429 430 T N 0.716 115.228 114.554 -0.070 0.000 2.840 430 T HA 0.623 4.973 4.350 -0.001 0.000 0.287 430 T C 0.086 174.953 174.700 0.280 0.000 0.991 430 T CA 0.069 62.244 62.100 0.124 0.000 0.964 430 T CB 1.502 70.412 68.868 0.069 0.000 0.954 430 T HN 1.050 nan 8.240 nan 0.000 0.438 431 G N 1.898 110.947 108.800 0.416 0.000 2.752 431 G HA2 0.229 4.188 3.960 -0.001 0.000 0.234 431 G HA3 0.229 4.188 3.960 -0.001 0.000 0.234 431 G C 0.744 175.882 174.900 0.396 0.000 1.367 431 G CA 0.264 45.543 45.100 0.299 0.000 0.879 431 G HN 1.967 nan 8.290 nan 0.000 0.563 432 G N -2.174 106.742 108.800 0.192 0.000 2.179 432 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.220 432 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.220 432 G C 0.325 175.255 174.900 0.051 0.000 0.990 432 G CA 0.580 45.804 45.100 0.206 0.000 0.646 432 G HN 1.549 nan 8.290 nan 0.000 0.517 433 I N 2.576 123.068 120.570 -0.131 0.000 2.339 433 I HA 0.533 4.702 4.170 -0.001 0.000 0.290 433 I C 0.468 176.467 176.117 -0.197 0.000 0.994 433 I CA -0.270 60.866 61.300 -0.273 0.000 1.191 433 I CB 1.787 39.455 38.000 -0.554 0.000 1.343 433 I HN 0.227 nan 8.210 nan 0.000 0.458 434 T N 2.463 116.921 114.554 -0.161 0.000 2.907 434 T HA 0.544 4.894 4.350 -0.001 0.000 0.292 434 T C -0.671 173.956 174.700 -0.121 0.000 1.043 434 T CA -1.005 61.023 62.100 -0.121 0.000 1.003 434 T CB 2.558 71.377 68.868 -0.082 0.000 1.084 434 T HN 0.596 nan 8.240 nan 0.000 0.483 435 K N 1.382 121.722 120.400 -0.100 0.000 2.668 435 K HA 0.610 4.930 4.320 -0.001 0.000 0.246 435 K C -0.358 176.209 176.600 -0.055 0.000 0.976 435 K CA -0.691 55.547 56.287 -0.082 0.000 0.902 435 K CB 1.331 33.766 32.500 -0.108 0.000 1.172 435 K HN 0.963 nan 8.250 nan 0.000 0.452 436 A N 2.811 125.611 122.820 -0.033 0.000 2.498 436 A HA 0.465 4.785 4.320 -0.001 0.000 0.239 436 A C 0.320 177.893 177.584 -0.019 0.000 1.068 436 A CA 0.179 52.203 52.037 -0.023 0.000 0.766 436 A CB 0.263 19.256 19.000 -0.011 0.000 1.003 436 A HN 0.869 nan 8.150 nan 0.000 0.497 437 A N 2.447 125.255 122.820 -0.020 0.000 2.520 437 A HA 0.384 4.704 4.320 -0.001 0.000 0.235 437 A C 0.946 178.524 177.584 -0.009 0.000 1.065 437 A CA 0.423 52.449 52.037 -0.018 0.000 0.764 437 A CB -0.294 18.696 19.000 -0.018 0.000 1.002 437 A HN 1.393 nan 8.150 nan 0.000 0.502 438 N N -1.170 117.524 118.700 -0.011 0.000 2.782 438 N HA -0.186 4.554 4.740 -0.001 0.000 0.251 438 N C -0.261 175.253 175.510 0.008 0.000 1.101 438 N CA 1.777 54.824 53.050 -0.004 0.000 0.764 438 N CB -1.600 36.886 38.487 -0.003 0.000 1.122 438 N HN 1.047 nan 8.380 nan 0.000 0.561 439 Q N -2.093 117.714 119.800 0.012 0.000 2.630 439 Q HA 0.576 4.916 4.340 -0.001 0.000 0.295 439 Q C -0.079 175.931 176.000 0.017 0.000 0.944 439 Q CA -0.858 54.969 55.803 0.042 0.000 0.766 439 Q CB 0.773 29.565 28.738 0.090 0.000 1.471 439 Q HN 0.003 nan 8.270 nan 0.000 0.416 440 R N -0.584 119.917 120.500 0.002 0.000 2.437 440 R HA 0.276 4.616 4.340 -0.001 0.000 0.257 440 R C -0.444 175.719 176.300 -0.228 0.000 0.927 440 R CA -0.017 55.996 56.100 -0.146 0.000 1.078 440 R CB 0.505 30.660 30.300 -0.241 0.000 1.161 440 R HN 0.492 nan 8.270 nan 0.000 0.529 441 Y N 0.827 121.094 120.300 -0.056 0.000 2.310 441 Y HA 0.426 4.975 4.550 -0.001 0.000 0.326 441 Y C 0.510 176.351 175.900 -0.099 0.000 1.151 441 Y CA -0.844 57.217 58.100 -0.065 0.000 1.195 441 Y CB 1.187 39.624 38.460 -0.038 0.000 1.210 441 Y HN -0.045 nan 8.280 nan 0.000 0.483 442 A N 1.709 124.532 122.820 0.005 0.000 2.318 442 A HA 0.564 4.883 4.320 -0.001 0.000 0.324 442 A C -0.146 177.373 177.584 -0.108 0.000 1.170 442 A CA -0.664 51.311 52.037 -0.104 0.000 0.810 442 A CB 0.576 19.431 19.000 -0.241 0.000 1.198 442 A HN 0.692 nan 8.150 nan 0.000 0.484 443 T N 2.001 116.482 114.554 -0.121 0.000 2.837 443 T HA 0.583 4.932 4.350 -0.001 0.000 0.285 443 T C -0.311 174.245 174.700 -0.240 0.000 0.984 443 T CA -0.507 61.498 62.100 -0.158 0.000 1.049 443 T CB 0.034 68.853 68.868 -0.083 0.000 0.947 443 T HN 0.378 nan 8.240 nan 0.000 0.472 444 I N 5.056 125.374 120.570 -0.420 0.000 2.362 444 I HA 0.265 4.434 4.170 -0.001 0.000 0.289 444 I C 0.353 176.299 176.117 -0.285 0.000 0.994 444 I CA -0.802 60.232 61.300 -0.443 0.000 1.158 444 I CB 1.094 38.596 38.000 -0.831 0.000 1.315 444 I HN 0.839 nan 8.210 nan 0.000 0.451 445 H N 6.648 125.667 119.070 -0.084 0.000 2.761 445 H HA 0.498 5.053 4.556 -0.001 0.000 0.284 445 H C -1.551 173.863 175.328 0.144 0.000 1.105 445 H CA -0.279 55.791 56.048 0.036 0.000 1.352 445 H CB 1.216 31.014 29.762 0.060 0.000 1.423 445 H HN 0.342 nan 8.280 nan 0.000 0.464 446 V N 8.560 128.398 119.914 -0.127 0.000 2.445 446 V HA 0.184 4.304 4.120 -0.001 0.000 0.283 446 V C -2.308 173.773 176.094 -0.022 0.000 1.014 446 V CA -1.644 60.657 62.300 0.003 0.000 0.852 446 V CB 1.488 33.476 31.823 0.276 0.000 1.021 446 V HN 0.779 nan 8.190 nan 0.000 0.435 447 P HA 0.118 nan 4.420 nan 0.000 0.264 447 P C 0.048 177.333 177.300 -0.025 0.000 1.193 447 P CA 0.503 63.535 63.100 -0.113 0.000 0.763 447 P CB 0.220 31.875 31.700 -0.076 0.000 0.810 448 D N 1.145 121.502 120.400 -0.071 0.000 2.708 448 D HA -0.210 4.429 4.640 -0.001 0.000 0.236 448 D C 1.248 177.474 176.300 -0.123 0.000 1.146 448 D CA 0.810 54.724 54.000 -0.144 0.000 0.662 448 D CB -1.215 39.539 40.800 -0.077 0.000 1.059 448 D HN 0.718 nan 8.370 nan 0.000 0.428 449 H N -0.865 118.213 119.070 0.014 0.000 2.387 449 H HA -0.008 4.548 4.556 -0.001 0.000 0.299 449 H C 1.810 177.122 175.328 -0.026 0.000 1.090 449 H CA 1.495 57.565 56.048 0.036 0.000 1.332 449 H CB -0.210 29.640 29.762 0.147 0.000 1.386 449 H HN 0.395 nan 8.280 nan 0.000 0.516 450 G N 1.233 109.890 108.800 -0.238 0.000 2.153 450 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.252 450 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.252 450 G C 0.058 174.869 174.900 -0.148 0.000 0.994 450 G CA 0.513 45.562 45.100 -0.084 0.000 0.698 450 G HN 0.404 nan 8.290 nan 0.000 0.521 451 L N -0.780 120.508 121.223 0.107 0.000 2.375 451 L HA 0.837 5.177 4.340 -0.001 0.000 0.268 451 L C 0.351 177.164 176.870 -0.095 0.000 1.058 451 L CA -1.155 53.590 54.840 -0.159 0.000 0.803 451 L CB 0.848 42.726 42.059 -0.301 0.000 1.212 451 L HN -0.035 nan 8.230 nan 0.000 0.451 452 F N -0.487 119.482 119.950 0.032 0.000 2.618 452 F HA 0.436 4.962 4.527 -0.001 0.000 0.332 452 F C 0.144 175.940 175.800 -0.007 0.000 1.061 452 F CA -1.339 56.687 58.000 0.044 0.000 0.974 452 F CB 1.185 40.202 39.000 0.028 0.000 1.310 452 F HN -0.075 nan 8.300 nan 0.000 0.491 453 V N 1.763 121.821 119.914 0.240 0.000 2.584 453 V HA 0.294 4.413 4.120 -0.001 0.000 0.303 453 V C 0.971 177.124 176.094 0.097 0.000 1.035 453 V CA 1.705 64.084 62.300 0.130 0.000 1.172 453 V CB -0.105 31.778 31.823 0.100 0.000 0.896 453 V HN 1.090 nan 8.190 nan 0.000 0.486 454 G N 3.697 112.535 108.800 0.063 0.000 2.213 454 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.236 454 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.236 454 G C -0.030 174.885 174.900 0.025 0.000 0.991 454 G CA 0.029 45.154 45.100 0.042 0.000 0.629 454 G HN 0.670 nan 8.290 nan 0.000 0.517 455 D N 0.017 120.419 120.400 0.004 0.000 2.399 455 D HA 0.422 5.062 4.640 -0.001 0.000 0.241 455 D C 0.424 176.723 176.300 -0.003 0.000 1.133 455 D CA -0.297 53.688 54.000 -0.025 0.000 0.890 455 D CB 0.510 41.252 40.800 -0.097 0.000 1.201 455 D HN 0.170 nan 8.370 nan 0.000 0.432 456 F N 2.318 122.207 119.950 -0.102 0.000 2.495 456 F HA 0.263 4.790 4.527 -0.000 0.000 0.365 456 F C -0.083 175.664 175.800 -0.087 0.000 1.090 456 F CA -0.247 57.713 58.000 -0.067 0.000 1.235 456 F CB 0.454 39.418 39.000 -0.060 0.000 1.119 456 F HN 0.053 nan 8.300 nan 0.000 0.562 457 V N 4.567 124.067 119.914 -0.690 0.000 2.733 457 V HA 0.435 4.554 4.120 -0.001 0.000 0.306 457 V C -1.179 174.434 176.094 -0.802 0.000 1.084 457 V CA -1.022 60.941 62.300 -0.562 0.000 0.905 457 V CB 1.428 33.087 31.823 -0.273 0.000 1.010 457 V HN 0.880 nan 8.190 nan 0.000 0.424 458 N N 3.250 121.585 118.700 -0.609 0.000 2.362 458 N HA 0.593 5.332 4.740 -0.001 0.000 0.298 458 N C -1.886 173.417 175.510 -0.344 0.000 1.048 458 N CA -0.358 52.496 53.050 -0.327 0.000 0.858 458 N CB 1.929 40.442 38.487 0.044 0.000 1.218 458 N HN 0.644 nan 8.380 nan 0.000 0.488 459 F N 0.716 120.719 119.950 0.089 0.000 2.495 459 F HA 0.398 4.924 4.527 -0.001 0.000 0.327 459 F C 0.245 176.155 175.800 0.183 0.000 1.103 459 F CA -0.547 57.561 58.000 0.180 0.000 0.949 459 F CB 2.060 41.122 39.000 0.104 0.000 1.142 459 F HN 0.228 nan 8.300 nan 0.000 0.457 460 S N 2.670 118.636 115.700 0.443 0.000 2.557 460 S HA 0.333 4.803 4.470 -0.001 0.000 0.291 460 S C -0.377 174.480 174.600 0.429 0.000 1.116 460 S CA -1.067 57.352 58.200 0.364 0.000 0.992 460 S CB 1.311 64.695 63.200 0.307 0.000 1.028 460 S HN 0.762 nan 8.310 nan 0.000 0.484 461 N N 0.965 119.842 118.700 0.295 0.000 2.747 461 N HA -0.192 4.548 4.740 -0.001 0.000 0.249 461 N C 1.143 176.786 175.510 0.222 0.000 1.107 461 N CA 0.970 54.172 53.050 0.254 0.000 0.707 461 N CB -1.520 37.155 38.487 0.313 0.000 1.054 461 N HN 0.806 nan 8.380 nan 0.000 0.555 462 S N -0.328 115.450 115.700 0.129 0.000 2.419 462 S HA 0.127 4.597 4.470 -0.001 0.000 0.233 462 S C 1.491 175.990 174.600 -0.167 0.000 1.016 462 S CA 1.424 59.556 58.200 -0.114 0.000 0.974 462 S CB -0.072 62.974 63.200 -0.256 0.000 0.786 462 S HN 1.325 nan 8.310 nan 0.000 0.492 463 A N -0.685 122.095 122.820 -0.066 0.000 2.847 463 A HA -0.096 4.224 4.320 -0.001 0.000 0.263 463 A C 0.276 177.791 177.584 -0.115 0.000 1.391 463 A CA 0.888 52.887 52.037 -0.064 0.000 0.866 463 A CB -2.390 16.590 19.000 -0.033 0.000 1.057 463 A HN 1.018 nan 8.150 nan 0.000 0.673 464 V N 0.989 120.803 119.914 -0.166 0.000 2.443 464 V HA 0.401 4.521 4.120 -0.001 0.000 0.293 464 V C 0.699 176.692 176.094 -0.167 0.000 1.021 464 V CA -0.040 62.149 62.300 -0.185 0.000 0.848 464 V CB 1.570 33.232 31.823 -0.269 0.000 0.998 464 V HN 0.490 nan 8.190 nan 0.000 0.424 465 T N 4.203 118.682 114.554 -0.124 0.000 2.800 465 T HA 0.309 4.659 4.350 -0.001 0.000 0.283 465 T C 1.332 175.954 174.700 -0.130 0.000 0.999 465 T CA 1.538 63.575 62.100 -0.105 0.000 1.176 465 T CB 0.115 68.934 68.868 -0.082 0.000 0.973 465 T HN 1.512 nan 8.240 nan 0.000 0.519 466 G N 2.429 111.156 108.800 -0.121 0.000 2.217 466 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.246 466 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.246 466 G C 0.227 175.016 174.900 -0.185 0.000 0.990 466 G CA -0.149 44.870 45.100 -0.134 0.000 0.627 466 G HN 0.780 nan 8.290 nan 0.000 0.522 467 V N 1.626 121.390 119.914 -0.250 0.000 2.304 467 V HA 0.720 4.840 4.120 -0.001 0.000 0.262 467 V C 0.329 176.283 176.094 -0.232 0.000 1.061 467 V CA 0.526 62.576 62.300 -0.416 0.000 0.872 467 V CB 0.889 32.321 31.823 -0.651 0.000 1.077 467 V HN 0.735 nan 8.190 nan 0.000 0.480 468 S N 3.342 118.995 115.700 -0.078 0.000 2.556 468 S HA 0.705 5.174 4.470 -0.001 0.000 0.280 468 S C -0.027 174.649 174.600 0.126 0.000 1.141 468 S CA 0.563 58.806 58.200 0.072 0.000 0.883 468 S CB 1.434 64.647 63.200 0.022 0.000 1.103 468 S HN 1.835 nan 8.310 nan 0.000 0.453 469 G N 3.650 112.550 108.800 0.167 0.000 2.601 469 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.252 469 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.252 469 G C -1.196 173.767 174.900 0.105 0.000 1.294 469 G CA 0.159 45.336 45.100 0.128 0.000 0.912 469 G HN 0.812 nan 8.290 nan 0.000 0.574 470 D N 1.429 121.861 120.400 0.053 0.000 2.358 470 D HA 0.550 5.190 4.640 -0.001 0.000 0.258 470 D C 0.966 177.208 176.300 -0.096 0.000 1.223 470 D CA 0.775 54.727 54.000 -0.079 0.000 0.886 470 D CB 0.609 41.475 40.800 0.109 0.000 1.120 470 D HN 0.512 nan 8.370 nan 0.000 0.482 471 M N 0.485 119.960 119.600 -0.209 0.000 2.791 471 M HA 0.458 4.938 4.480 -0.001 0.000 0.286 471 M C 0.090 176.301 176.300 -0.148 0.000 1.238 471 M CA -0.873 54.386 55.300 -0.068 0.000 0.762 471 M CB 2.213 34.881 32.600 0.114 0.000 1.758 471 M HN 0.229 nan 8.290 nan 0.000 0.447 472 T N -1.665 112.876 114.554 -0.021 0.000 2.906 472 T HA 0.644 4.994 4.350 -0.001 0.000 0.295 472 T C -0.550 174.187 174.700 0.062 0.000 1.075 472 T CA -0.905 61.189 62.100 -0.011 0.000 1.005 472 T CB 1.290 70.169 68.868 0.018 0.000 1.136 472 T HN 0.364 nan 8.240 nan 0.000 0.498 473 V N 2.595 122.523 119.914 0.022 0.000 2.493 473 V HA 0.381 4.501 4.120 -0.001 0.000 0.292 473 V C 1.557 177.728 176.094 0.129 0.000 1.016 473 V CA 0.540 62.880 62.300 0.068 0.000 1.097 473 V CB -0.200 31.555 31.823 -0.113 0.000 0.947 473 V HN 1.208 nan 8.190 nan 0.000 0.479 474 A N 4.761 127.704 122.820 0.206 0.000 1.861 474 A HA 0.223 4.542 4.320 -0.001 0.000 0.212 474 A C 1.140 178.826 177.584 0.169 0.000 1.199 474 A CA 1.272 53.438 52.037 0.214 0.000 0.613 474 A CB 0.032 19.247 19.000 0.358 0.000 0.846 474 A HN 0.884 nan 8.150 nan 0.000 0.446 475 T N -3.026 111.631 114.554 0.171 0.000 2.883 475 T HA 0.557 4.907 4.350 -0.001 0.000 0.301 475 T C -0.861 173.956 174.700 0.194 0.000 1.158 475 T CA -0.103 62.073 62.100 0.127 0.000 1.007 475 T CB 1.341 70.229 68.868 0.034 0.000 1.186 475 T HN 1.009 nan 8.240 nan 0.000 0.499 476 V N 0.612 120.644 119.914 0.197 0.000 2.417 476 V HA 0.613 4.733 4.120 -0.001 0.000 0.291 476 V C 0.701 176.921 176.094 0.211 0.000 1.024 476 V CA -0.782 61.683 62.300 0.275 0.000 0.861 476 V CB 0.701 32.739 31.823 0.359 0.000 0.985 476 V HN 0.983 nan 8.190 nan 0.000 0.436 477 I N 2.663 123.361 120.570 0.214 0.000 2.494 477 I HA 0.176 4.346 4.170 -0.001 0.000 0.250 477 I C 0.721 176.930 176.117 0.154 0.000 1.112 477 I CA 1.357 62.744 61.300 0.144 0.000 1.438 477 I CB 0.186 38.256 38.000 0.116 0.000 1.111 477 I HN 1.041 nan 8.210 nan 0.000 0.431 478 D N -1.487 119.041 120.400 0.212 0.000 2.792 478 D HA 0.010 4.649 4.640 -0.001 0.000 0.335 478 D C 0.293 176.710 176.300 0.195 0.000 1.353 478 D CA -0.690 53.412 54.000 0.170 0.000 0.839 478 D CB 0.284 41.157 40.800 0.122 0.000 1.396 478 D HN -0.026 nan 8.370 nan 0.000 0.479 479 K N -0.936 119.501 120.400 0.062 0.000 2.281 479 K HA -0.093 4.227 4.320 -0.001 0.000 0.203 479 K C -0.131 176.387 176.600 -0.136 0.000 1.046 479 K CA 1.488 57.701 56.287 -0.123 0.000 0.938 479 K CB -0.228 32.182 32.500 -0.150 0.000 0.737 479 K HN 0.248 nan 8.250 nan 0.000 0.458 480 D N -0.095 120.377 120.400 0.121 0.000 2.433 480 D HA 0.111 4.751 4.640 -0.001 0.000 0.211 480 D C -0.728 175.756 176.300 0.307 0.000 1.114 480 D CA 0.046 54.147 54.000 0.168 0.000 0.837 480 D CB 0.353 41.229 40.800 0.126 0.000 0.984 480 D HN 0.261 nan 8.370 nan 0.000 0.505 481 N N -0.002 118.958 118.700 0.433 0.000 2.369 481 N HA 0.442 5.181 4.740 -0.001 0.000 0.287 481 N C -1.153 174.517 175.510 0.267 0.000 1.067 481 N CA -0.790 52.410 53.050 0.251 0.000 0.888 481 N CB 2.053 40.657 38.487 0.194 0.000 1.616 481 N HN -0.100 nan 8.380 nan 0.000 0.482 482 F N -1.467 118.468 119.950 -0.023 0.000 2.675 482 F HA 0.862 5.389 4.527 -0.001 0.000 0.324 482 F C -0.359 175.449 175.800 0.014 0.000 1.106 482 F CA -0.965 57.009 58.000 -0.043 0.000 0.970 482 F CB 1.149 40.018 39.000 -0.219 0.000 1.385 482 F HN 0.324 nan 8.300 nan 0.000 0.489 483 T N -0.268 114.428 114.554 0.236 0.000 2.924 483 T HA 0.802 5.151 4.350 -0.001 0.000 0.291 483 T C -0.824 174.062 174.700 0.311 0.000 1.045 483 T CA -0.428 61.764 62.100 0.153 0.000 1.015 483 T CB 1.538 70.492 68.868 0.142 0.000 1.103 483 T HN 1.477 nan 8.240 nan 0.000 0.496 484 V N -0.100 119.934 119.914 0.200 0.000 2.914 484 V HA 0.823 4.943 4.120 -0.001 0.000 0.314 484 V C -0.739 175.398 176.094 0.071 0.000 1.084 484 V CA -1.340 61.062 62.300 0.171 0.000 0.963 484 V CB 1.447 33.330 31.823 0.100 0.000 1.025 484 V HN 0.979 nan 8.190 nan 0.000 0.432 485 L N 4.052 125.256 121.223 -0.031 0.000 2.265 485 L HA 0.711 5.051 4.340 -0.001 0.000 0.288 485 L C 0.604 177.322 176.870 -0.254 0.000 1.058 485 L CA 0.720 55.350 54.840 -0.350 0.000 0.809 485 L CB 1.048 42.871 42.059 -0.392 0.000 1.179 485 L HN 1.181 nan 8.230 nan 0.000 0.429 486 T N 2.144 116.528 114.554 -0.283 0.000 2.881 486 T HA 0.555 4.905 4.350 -0.001 0.000 0.278 486 T C -1.948 172.642 174.700 -0.183 0.000 0.982 486 T CA -1.650 60.329 62.100 -0.202 0.000 0.989 486 T CB 1.240 69.995 68.868 -0.189 0.000 1.058 486 T HN 0.536 nan 8.240 nan 0.000 0.529 487 P HA 0.157 nan 4.420 nan 0.000 0.241 487 P C -0.011 177.232 177.300 -0.095 0.000 1.191 487 P CA 0.237 63.276 63.100 -0.102 0.000 0.771 487 P CB -0.055 31.601 31.700 -0.073 0.000 0.929 488 N N -0.950 117.688 118.700 -0.104 0.000 2.934 488 N HA 0.274 5.014 4.740 -0.001 0.000 0.253 488 N C -1.343 174.118 175.510 -0.083 0.000 1.466 488 N CA -0.806 52.196 53.050 -0.081 0.000 0.858 488 N CB 1.606 40.054 38.487 -0.066 0.000 1.459 488 N HN -0.112 nan 8.380 nan 0.000 0.532 489 Q N -0.382 119.381 119.800 -0.061 0.000 2.495 489 Q HA 0.484 4.824 4.340 -0.001 0.000 0.287 489 Q C -1.498 174.477 176.000 -0.042 0.000 1.078 489 Q CA -0.839 54.933 55.803 -0.051 0.000 0.793 489 Q CB 2.639 31.354 28.738 -0.038 0.000 1.459 489 Q HN 0.602 nan 8.270 nan 0.000 0.422 490 Q N 0.097 119.874 119.800 -0.038 0.000 2.451 490 Q HA 0.324 4.664 4.340 -0.001 0.000 0.281 490 Q C -0.112 175.871 176.000 -0.027 0.000 1.099 490 Q CA -0.235 55.548 55.803 -0.034 0.000 0.806 490 Q CB 2.554 31.268 28.738 -0.041 0.000 1.419 490 Q HN 0.939 nan 8.270 nan 0.000 0.427 491 T N -3.066 111.474 114.554 -0.023 0.000 3.129 491 T HA 0.088 4.438 4.350 -0.001 0.000 0.251 491 T C 0.576 175.265 174.700 -0.020 0.000 1.117 491 T CA 0.215 62.304 62.100 -0.019 0.000 1.034 491 T CB -0.038 68.820 68.868 -0.016 0.000 0.968 491 T HN 0.426 nan 8.240 nan 0.000 0.526 492 S N 0.003 115.688 115.700 -0.024 0.000 2.599 492 S HA 0.583 5.052 4.470 -0.001 0.000 0.287 492 S C -1.477 173.105 174.600 -0.030 0.000 1.105 492 S CA -1.038 57.148 58.200 -0.024 0.000 0.899 492 S CB 1.707 64.894 63.200 -0.023 0.000 1.100 492 S HN 0.055 nan 8.310 nan 0.000 0.482 493 D N 1.007 121.389 120.400 -0.030 0.000 2.399 493 D HA 0.427 5.066 4.640 -0.001 0.000 0.241 493 D C -0.394 175.879 176.300 -0.045 0.000 1.133 493 D CA 0.234 54.212 54.000 -0.037 0.000 0.890 493 D CB 0.489 41.269 40.800 -0.033 0.000 1.201 493 D HN 0.485 nan 8.370 nan 0.000 0.432 494 L N 2.305 123.493 121.223 -0.059 0.000 2.346 494 L HA 0.475 4.814 4.340 -0.001 0.000 0.274 494 L C 0.049 176.871 176.870 -0.081 0.000 1.007 494 L CA -0.801 53.996 54.840 -0.072 0.000 0.818 494 L CB 1.555 43.561 42.059 -0.090 0.000 1.284 494 L HN 0.221 nan 8.230 nan 0.000 0.424 495 N N 1.511 120.164 118.700 -0.078 0.000 2.578 495 N HA 0.087 4.827 4.740 -0.001 0.000 0.282 495 N C -0.840 174.626 175.510 -0.073 0.000 1.119 495 N CA -0.471 52.532 53.050 -0.078 0.000 0.948 495 N CB 1.235 39.690 38.487 -0.053 0.000 1.546 495 N HN 0.646 nan 8.380 nan 0.000 0.525 496 N N 2.219 120.859 118.700 -0.101 0.000 2.322 496 N HA 0.101 4.841 4.740 -0.001 0.000 0.216 496 N C -0.028 175.477 175.510 -0.008 0.000 1.144 496 N CA -0.290 52.711 53.050 -0.082 0.000 0.830 496 N CB -0.162 38.218 38.487 -0.179 0.000 1.034 496 N HN 0.508 nan 8.380 nan 0.000 0.484 497 A N -0.141 122.680 122.820 0.002 0.000 2.584 497 A HA 0.410 4.729 4.320 -0.001 0.000 0.239 497 A C 1.604 179.214 177.584 0.044 0.000 1.043 497 A CA 0.651 52.707 52.037 0.033 0.000 0.756 497 A CB -0.888 18.120 19.000 0.013 0.000 0.963 497 A HN 1.032 nan 8.150 nan 0.000 0.511 498 G N 1.631 110.471 108.800 0.068 0.000 2.205 498 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.261 498 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.261 498 G C 0.245 175.191 174.900 0.078 0.000 0.980 498 G CA 0.661 45.798 45.100 0.062 0.000 0.632 498 G HN 0.780 nan 8.290 nan 0.000 0.533 499 K N 1.187 121.651 120.400 0.107 0.000 2.159 499 K HA 0.421 4.741 4.320 -0.001 0.000 0.266 499 K C -0.154 176.577 176.600 0.218 0.000 0.975 499 K CA -0.785 55.578 56.287 0.127 0.000 0.865 499 K CB 0.951 33.509 32.500 0.097 0.000 1.087 499 K HN 0.222 nan 8.250 nan 0.000 0.446 500 N N 3.318 122.108 118.700 0.151 0.000 2.499 500 N HA 0.332 5.071 4.740 -0.001 0.000 0.281 500 N C -0.205 175.384 175.510 0.132 0.000 1.098 500 N CA -0.222 52.882 53.050 0.089 0.000 0.979 500 N CB 1.047 39.529 38.487 -0.008 0.000 1.121 500 N HN 0.564 nan 8.380 nan 0.000 0.466 501 W N 0.475 121.644 121.300 -0.218 0.000 2.961 501 W HA 0.452 5.111 4.660 -0.001 0.000 0.368 501 W C -1.523 174.727 176.519 -0.448 0.000 1.213 501 W CA -0.609 56.596 57.345 -0.233 0.000 1.173 501 W CB 0.270 29.731 29.460 0.002 0.000 1.487 501 W HN 0.398 nan 8.180 nan 0.000 0.585 502 H N 0.873 120.071 119.070 0.214 0.000 2.717 502 H HA 0.672 5.227 4.556 -0.001 0.000 0.366 502 H C -0.534 174.815 175.328 0.036 0.000 1.132 502 H CA -0.810 55.213 56.048 -0.042 0.000 1.180 502 H CB 2.897 32.711 29.762 0.087 0.000 1.678 502 H HN 0.288 nan 8.280 nan 0.000 0.537 503 M N 1.581 121.113 119.600 -0.113 0.000 2.602 503 M HA 0.558 5.037 4.480 -0.001 0.000 0.312 503 M C 0.043 176.277 176.300 -0.110 0.000 1.181 503 M CA 0.022 55.252 55.300 -0.117 0.000 0.910 503 M CB 2.024 34.547 32.600 -0.129 0.000 1.723 503 M HN 0.947 nan 8.290 nan 0.000 0.459 504 G N 0.775 109.535 108.800 -0.066 0.000 4.278 504 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.160 504 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.160 504 G C -0.197 174.732 174.900 0.049 0.000 2.002 504 G CA 0.196 45.227 45.100 -0.115 0.000 1.013 504 G HN 0.819 nan 8.290 nan 0.000 0.315 505 T N -1.392 113.229 114.554 0.110 0.000 2.940 505 T HA 0.724 5.074 4.350 -0.001 0.000 0.288 505 T C -0.542 174.271 174.700 0.188 0.000 1.045 505 T CA 0.241 62.453 62.100 0.187 0.000 1.018 505 T CB 2.179 71.089 68.868 0.071 0.000 1.151 505 T HN 1.378 nan 8.240 nan 0.000 0.529 506 S N 0.469 116.254 115.700 0.142 0.000 2.689 506 S HA 0.347 4.817 4.470 -0.001 0.000 0.274 506 S C 0.038 174.612 174.600 -0.043 0.000 1.176 506 S CA -0.822 57.361 58.200 -0.029 0.000 1.014 506 S CB 0.600 63.528 63.200 -0.454 0.000 1.071 506 S HN 0.735 nan 8.310 nan 0.000 0.478 507 F N 5.099 124.932 119.950 -0.196 0.000 2.095 507 F HA -0.104 4.423 4.527 -0.001 0.000 0.298 507 F C 2.105 177.615 175.800 -0.484 0.000 1.104 507 F CA 2.044 59.812 58.000 -0.388 0.000 1.232 507 F CB -0.069 38.681 39.000 -0.417 0.000 0.987 507 F HN 0.827 nan 8.300 nan 0.000 0.475 508 H N -0.270 118.793 119.070 -0.012 0.000 2.462 508 H HA 0.025 4.581 4.556 -0.001 0.000 0.292 508 H C 1.381 176.565 175.328 -0.239 0.000 1.049 508 H CA 1.031 57.007 56.048 -0.121 0.000 1.334 508 H CB -0.073 29.690 29.762 0.001 0.000 1.404 508 H HN 0.272 nan 8.280 nan 0.000 0.544 509 K N 1.203 121.482 120.400 -0.202 0.000 2.387 509 K HA 0.190 4.509 4.320 -0.001 0.000 0.198 509 K C 0.240 176.768 176.600 -0.121 0.000 1.022 509 K CA 0.039 56.201 56.287 -0.208 0.000 1.128 509 K CB 0.830 33.056 32.500 -0.456 0.000 0.853 509 K HN -0.026 nan 8.250 nan 0.000 0.523 510 S N 2.412 117.979 115.700 -0.222 0.000 2.501 510 S HA 0.419 4.889 4.470 -0.001 0.000 0.301 510 S C -2.516 171.874 174.600 -0.350 0.000 1.096 510 S CA -1.259 56.814 58.200 -0.211 0.000 1.063 510 S CB 2.148 65.215 63.200 -0.221 0.000 1.042 510 S HN 0.042 nan 8.310 nan 0.000 0.494 511 P HA 0.211 nan 4.420 nan 0.000 0.276 511 P C -1.018 176.087 177.300 -0.325 0.000 1.244 511 P CA -0.647 62.300 63.100 -0.255 0.000 0.801 511 P CB 0.457 32.083 31.700 -0.123 0.000 1.006 512 W N 1.399 122.485 121.300 -0.357 0.000 2.181 512 W HA 0.213 4.873 4.660 -0.001 0.000 0.335 512 W C 1.463 177.788 176.519 -0.323 0.000 1.310 512 W CA -0.111 56.998 57.345 -0.393 0.000 1.226 512 W CB 0.288 29.398 29.460 -0.584 0.000 1.155 512 W HN 0.252 nan 8.180 nan 0.000 0.565 513 R N 3.536 124.057 120.500 0.035 0.000 2.221 513 R HA 0.267 4.606 4.340 -0.001 0.000 0.327 513 R C -0.789 175.464 176.300 -0.079 0.000 1.033 513 R CA -0.479 55.610 56.100 -0.018 0.000 0.887 513 R CB 0.357 30.688 30.300 0.051 0.000 1.057 513 R HN 0.430 nan 8.270 nan 0.000 0.455 514 K N 3.046 123.335 120.400 -0.185 0.000 2.358 514 K HA 0.272 4.591 4.320 -0.001 0.000 0.260 514 K C -1.127 175.445 176.600 -0.046 0.000 0.956 514 K CA -0.632 55.516 56.287 -0.231 0.000 0.834 514 K CB 2.369 34.531 32.500 -0.565 0.000 1.102 514 K HN 0.433 nan 8.250 nan 0.000 0.431 515 T N 1.755 116.352 114.554 0.073 0.000 2.788 515 T HA 0.078 4.428 4.350 -0.001 0.000 0.296 515 T C -0.779 173.998 174.700 0.128 0.000 1.009 515 T CA -0.632 61.523 62.100 0.091 0.000 0.949 515 T CB 0.748 69.689 68.868 0.122 0.000 0.946 515 T HN 0.399 nan 8.240 nan 0.000 0.453 516 D N 3.227 123.684 120.400 0.096 0.000 2.339 516 D HA 0.124 4.764 4.640 -0.001 0.000 0.256 516 D C 0.649 177.008 176.300 0.098 0.000 1.214 516 D CA -0.301 53.759 54.000 0.100 0.000 0.877 516 D CB 0.753 41.596 40.800 0.072 0.000 1.111 516 D HN 0.471 nan 8.370 nan 0.000 0.478 517 L N 3.228 124.510 121.223 0.099 0.000 2.607 517 L HA 0.288 4.628 4.340 -0.001 0.000 0.228 517 L C 1.577 178.481 176.870 0.057 0.000 1.123 517 L CA -0.046 54.854 54.840 0.101 0.000 0.890 517 L CB -0.474 41.632 42.059 0.078 0.000 1.103 517 L HN 0.627 nan 8.230 nan 0.000 0.468 518 G N 1.250 110.078 108.800 0.046 0.000 2.645 518 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.246 518 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.246 518 G C -0.660 174.243 174.900 0.005 0.000 1.322 518 G CA -0.319 44.798 45.100 0.028 0.000 0.898 518 G HN 0.035 nan 8.290 nan 0.000 0.573 519 L N 1.259 122.481 121.223 -0.001 0.000 2.358 519 L HA 0.540 4.880 4.340 -0.001 0.000 0.274 519 L C 0.967 177.822 176.870 -0.024 0.000 1.136 519 L CA -0.636 54.194 54.840 -0.017 0.000 0.970 519 L CB -0.330 41.721 42.059 -0.013 0.000 1.314 519 L HN 0.438 nan 8.230 nan 0.000 0.427 520 I N 6.574 127.106 120.570 -0.063 0.000 2.821 520 I HA -0.019 4.151 4.170 -0.001 0.000 0.294 520 I C -1.582 174.514 176.117 -0.034 0.000 1.210 520 I CA -1.238 60.006 61.300 -0.093 0.000 1.430 520 I CB -0.056 37.757 38.000 -0.313 0.000 1.356 520 I HN 0.443 nan 8.210 nan 0.000 0.563 521 P HA -0.079 nan 4.420 nan 0.000 0.265 521 P C 0.270 177.605 177.300 0.058 0.000 1.187 521 P CA 0.281 63.402 63.100 0.036 0.000 0.766 521 P CB 0.475 32.205 31.700 0.050 0.000 0.820 522 S N 0.665 116.403 115.700 0.063 0.000 3.524 522 S HA -0.119 4.350 4.470 -0.001 0.000 0.377 522 S C -0.401 174.282 174.600 0.140 0.000 0.949 522 S CA 0.464 58.722 58.200 0.096 0.000 1.264 522 S CB -1.950 61.318 63.200 0.114 0.000 0.918 522 S HN 0.206 nan 8.310 nan 0.000 0.517 523 V N 2.281 122.252 119.914 0.096 0.000 2.638 523 V HA 0.540 4.660 4.120 -0.001 0.000 0.306 523 V C 1.080 177.189 176.094 0.024 0.000 1.052 523 V CA -0.142 62.233 62.300 0.125 0.000 0.885 523 V CB 2.030 33.911 31.823 0.096 0.000 0.999 523 V HN 0.604 nan 8.190 nan 0.000 0.424 524 T N 2.355 116.871 114.554 -0.063 0.000 3.046 524 T HA 0.252 4.601 4.350 -0.001 0.000 0.242 524 T C 0.267 174.871 174.700 -0.159 0.000 1.018 524 T CA 0.523 62.521 62.100 -0.170 0.000 1.131 524 T CB 0.311 68.991 68.868 -0.312 0.000 0.904 524 T HN 0.659 nan 8.240 nan 0.000 0.459 525 E N 0.408 120.511 120.200 -0.161 0.000 2.335 525 E HA 0.472 4.822 4.350 -0.001 0.000 0.280 525 E C -1.741 174.984 176.600 0.208 0.000 0.918 525 E CA -0.398 56.021 56.400 0.032 0.000 0.765 525 E CB 3.018 32.782 29.700 0.105 0.000 1.218 525 E HN -0.082 nan 8.360 nan 0.000 0.425 526 V N 2.641 122.714 119.914 0.265 0.000 2.481 526 V HA 0.414 4.534 4.120 -0.001 0.000 0.286 526 V C -0.579 175.754 176.094 0.398 0.000 1.042 526 V CA -0.333 62.186 62.300 0.365 0.000 0.928 526 V CB 1.181 33.182 31.823 0.297 0.000 0.986 526 V HN 0.680 nan 8.190 nan 0.000 0.462 527 H N 2.729 121.984 119.070 0.310 0.000 3.026 527 H HA 0.569 5.125 4.556 -0.001 0.000 0.352 527 H C -0.535 174.973 175.328 0.298 0.000 1.090 527 H CA 0.660 56.880 56.048 0.285 0.000 1.268 527 H CB 1.565 31.502 29.762 0.293 0.000 1.816 527 H HN 0.889 nan 8.280 nan 0.000 0.518 528 S N 2.727 118.347 115.700 -0.134 0.000 3.461 528 S HA -0.130 4.340 4.470 -0.001 0.000 0.820 528 S C -1.497 173.262 174.600 0.266 0.000 1.142 528 S CA 0.256 58.482 58.200 0.044 0.000 1.078 528 S CB -0.614 62.682 63.200 0.160 0.000 0.674 528 S HN 0.790 nan 8.310 nan 0.000 0.333 529 F N 1.953 121.956 119.950 0.088 0.000 2.588 529 F HA 0.657 5.183 4.527 -0.000 0.000 0.314 529 F C -0.590 175.271 175.800 0.101 0.000 1.134 529 F CA 0.378 58.426 58.000 0.081 0.000 0.961 529 F CB 1.473 40.457 39.000 -0.027 0.000 1.239 529 F HN 0.939 nan 8.300 nan 0.000 0.448 530 A N 4.070 126.814 122.820 -0.127 0.000 2.375 530 A HA 0.567 4.886 4.320 -0.001 0.000 0.291 530 A C -0.688 176.836 177.584 -0.100 0.000 1.160 530 A CA -0.592 51.459 52.037 0.023 0.000 0.747 530 A CB 0.688 19.754 19.000 0.110 0.000 1.170 530 A HN 0.653 nan 8.150 nan 0.000 0.458 531 T N 3.610 118.230 114.554 0.111 0.000 2.853 531 T HA 0.153 4.502 4.350 -0.001 0.000 0.298 531 T C 1.328 176.087 174.700 0.098 0.000 0.978 531 T CA 0.038 62.242 62.100 0.173 0.000 1.152 531 T CB 0.214 69.260 68.868 0.296 0.000 0.914 531 T HN 0.444 nan 8.240 nan 0.000 0.539 532 I N 2.132 122.709 120.570 0.011 0.000 2.556 532 I HA 0.163 4.332 4.170 -0.001 0.000 0.251 532 I C 1.072 177.206 176.117 0.029 0.000 1.105 532 I CA 0.959 62.115 61.300 -0.241 0.000 1.436 532 I CB -0.569 37.209 38.000 -0.369 0.000 1.139 532 I HN 0.757 nan 8.210 nan 0.000 0.438 533 D N -2.358 118.105 120.400 0.106 0.000 3.145 533 D HA 0.012 4.652 4.640 -0.001 0.000 0.345 533 D C 0.348 176.734 176.300 0.143 0.000 1.391 533 D CA -0.527 53.554 54.000 0.136 0.000 0.930 533 D CB 0.056 40.924 40.800 0.113 0.000 1.451 533 D HN -0.280 nan 8.370 nan 0.000 0.555 534 N N -1.187 117.573 118.700 0.100 0.000 2.453 534 N HA -0.019 4.721 4.740 -0.001 0.000 0.183 534 N C 0.412 175.936 175.510 0.024 0.000 1.041 534 N CA 1.037 54.117 53.050 0.050 0.000 0.900 534 N CB -0.108 38.380 38.487 0.002 0.000 0.961 534 N HN 0.307 nan 8.380 nan 0.000 0.443 535 N N -1.318 117.438 118.700 0.093 0.000 2.294 535 N HA 0.214 4.953 4.740 -0.001 0.000 0.186 535 N C 0.545 176.196 175.510 0.236 0.000 1.107 535 N CA 0.549 53.685 53.050 0.142 0.000 0.884 535 N CB 1.443 39.978 38.487 0.080 0.000 1.030 535 N HN 0.191 nan 8.380 nan 0.000 0.482 536 G N 0.180 109.075 108.800 0.160 0.000 2.427 536 G HA2 0.502 4.461 3.960 -0.001 0.000 0.306 536 G HA3 0.502 4.461 3.960 -0.001 0.000 0.306 536 G C -2.037 172.898 174.900 0.058 0.000 1.280 536 G CA -0.713 44.351 45.100 -0.060 0.000 0.837 536 G HN 0.078 nan 8.290 nan 0.000 0.482 537 F N -2.489 117.477 119.950 0.026 0.000 2.807 537 F HA 0.889 5.416 4.527 -0.000 0.000 0.316 537 F C -0.468 175.337 175.800 0.008 0.000 1.162 537 F CA -1.268 56.631 58.000 -0.168 0.000 0.910 537 F CB 0.993 39.616 39.000 -0.627 0.000 1.314 537 F HN 1.276 nan 8.300 nan 0.000 0.454 538 A N 1.940 124.864 122.820 0.174 0.000 2.356 538 A HA 0.937 5.257 4.320 -0.001 0.000 0.323 538 A C -1.207 176.504 177.584 0.211 0.000 1.119 538 A CA -0.947 51.259 52.037 0.282 0.000 0.790 538 A CB 1.649 20.753 19.000 0.173 0.000 1.273 538 A HN 0.829 nan 8.150 nan 0.000 0.452 539 M N 1.189 121.027 119.600 0.396 0.000 2.464 539 M HA 0.481 4.961 4.480 -0.001 0.000 0.308 539 M C 0.427 176.986 176.300 0.431 0.000 1.127 539 M CA -0.421 55.110 55.300 0.385 0.000 0.913 539 M CB 2.433 35.318 32.600 0.476 0.000 1.689 539 M HN 0.879 nan 8.290 nan 0.000 0.445 540 G N 1.403 110.440 108.800 0.395 0.000 2.537 540 G HA2 0.587 4.546 3.960 -0.001 0.000 0.273 540 G HA3 0.587 4.546 3.960 -0.001 0.000 0.273 540 G C -1.589 173.597 174.900 0.476 0.000 1.189 540 G CA -0.085 45.247 45.100 0.388 0.000 0.881 540 G HN 0.778 nan 8.290 nan 0.000 0.535 541 Y N -0.811 119.610 120.300 0.202 0.000 2.638 541 Y HA 0.726 5.276 4.550 -0.001 0.000 0.335 541 Y C -0.808 175.206 175.900 0.189 0.000 1.155 541 Y CA -1.532 56.690 58.100 0.204 0.000 1.046 541 Y CB 1.070 39.645 38.460 0.191 0.000 1.303 541 Y HN 1.017 nan 8.280 nan 0.000 0.460 542 H N -0.311 118.750 119.070 -0.015 0.000 2.985 542 H HA 0.624 5.180 4.556 -0.001 0.000 0.360 542 H C -1.712 173.707 175.328 0.152 0.000 1.221 542 H CA -1.083 54.864 56.048 -0.168 0.000 1.121 542 H CB 2.188 31.883 29.762 -0.111 0.000 1.854 542 H HN 0.733 nan 8.280 nan 0.000 0.551 543 Q N 1.345 121.200 119.800 0.091 0.000 2.327 543 Q HA 0.400 4.740 4.340 -0.001 0.000 0.270 543 Q C -0.630 175.470 176.000 0.166 0.000 1.022 543 Q CA -0.322 55.532 55.803 0.085 0.000 0.773 543 Q CB 1.679 30.519 28.738 0.170 0.000 1.251 543 Q HN 1.119 nan 8.270 nan 0.000 0.457 544 G N 3.272 112.171 108.800 0.164 0.000 3.979 544 G HA2 0.087 4.046 3.960 -0.001 0.000 0.287 544 G HA3 0.087 4.046 3.960 -0.001 0.000 0.287 544 G C 0.207 175.170 174.900 0.106 0.000 1.011 544 G CA -0.146 45.068 45.100 0.190 0.000 0.818 544 G HN 0.545 nan 8.290 nan 0.000 0.470 545 D N 0.244 120.684 120.400 0.068 0.000 2.201 545 D HA 0.065 4.704 4.640 -0.001 0.000 0.209 545 D C 1.422 177.744 176.300 0.037 0.000 0.961 545 D CA 1.092 55.117 54.000 0.042 0.000 0.861 545 D CB 0.881 41.693 40.800 0.022 0.000 0.997 545 D HN 0.344 nan 8.370 nan 0.000 0.486 546 V N -2.121 117.817 119.914 0.040 0.000 3.126 546 V HA 0.825 4.945 4.120 -0.001 0.000 0.314 546 V C -0.476 175.642 176.094 0.039 0.000 1.138 546 V CA -1.411 60.909 62.300 0.034 0.000 1.034 546 V CB 1.532 33.373 31.823 0.029 0.000 1.075 546 V HN 0.024 nan 8.190 nan 0.000 0.442 547 A N 1.975 124.814 122.820 0.031 0.000 2.340 547 A HA 0.854 5.173 4.320 -0.001 0.000 0.268 547 A C -1.937 175.667 177.584 0.033 0.000 1.100 547 A CA -1.093 50.962 52.037 0.030 0.000 0.803 547 A CB -0.477 18.536 19.000 0.021 0.000 1.043 547 A HN 0.920 nan 8.150 nan 0.000 0.488 548 P HA 0.419 nan 4.420 nan 0.000 0.286 548 P C -0.411 176.917 177.300 0.047 0.000 1.261 548 P CA -0.821 62.299 63.100 0.035 0.000 0.821 548 P CB 0.690 32.407 31.700 0.029 0.000 1.013 549 R N 1.395 121.920 120.500 0.043 0.000 2.623 549 R HA 0.114 4.454 4.340 -0.001 0.000 0.271 549 R C -0.181 176.146 176.300 0.045 0.000 1.043 549 R CA 0.394 56.526 56.100 0.055 0.000 1.083 549 R CB 0.272 30.597 30.300 0.041 0.000 0.974 549 R HN 0.486 nan 8.270 nan 0.000 0.436 550 E N 2.132 122.365 120.200 0.056 0.000 2.288 550 E HA 0.439 4.789 4.350 -0.001 0.000 0.268 550 E C -1.395 175.129 176.600 -0.125 0.000 0.885 550 E CA -1.053 55.351 56.400 0.007 0.000 0.767 550 E CB 2.646 32.416 29.700 0.116 0.000 1.220 550 E HN 0.226 nan 8.360 nan 0.000 0.427 551 V N 1.127 120.895 119.914 -0.244 0.000 2.686 551 V HA 0.810 4.930 4.120 -0.001 0.000 0.306 551 V C 0.160 175.953 176.094 -0.502 0.000 1.065 551 V CA -0.358 61.698 62.300 -0.406 0.000 0.894 551 V CB 1.674 33.362 31.823 -0.225 0.000 1.004 551 V HN 0.925 nan 8.190 nan 0.000 0.424 552 G N 3.304 111.669 108.800 -0.725 0.000 2.512 552 G HA2 0.690 4.649 3.960 -0.001 0.000 0.186 552 G HA3 0.690 4.649 3.960 -0.001 0.000 0.186 552 G C -1.792 173.076 174.900 -0.054 0.000 1.189 552 G CA 0.107 45.035 45.100 -0.287 0.000 0.994 552 G HN 1.283 nan 8.290 nan 0.000 0.506 553 L N -2.988 118.345 121.223 0.182 0.000 2.479 553 L HA 0.926 5.265 4.340 -0.001 0.000 0.255 553 L C -1.707 175.157 176.870 -0.010 0.000 1.026 553 L CA -1.078 53.892 54.840 0.215 0.000 0.842 553 L CB 1.727 43.948 42.059 0.269 0.000 1.444 553 L HN 0.373 nan 8.230 nan 0.000 0.409 554 F N 1.501 121.637 119.950 0.310 0.000 2.426 554 F HA 0.525 5.051 4.527 -0.001 0.000 0.348 554 F C -0.630 175.303 175.800 0.223 0.000 1.124 554 F CA -0.354 57.730 58.000 0.140 0.000 1.008 554 F CB 1.522 40.495 39.000 -0.045 0.000 1.139 554 F HN 0.478 nan 8.300 nan 0.000 0.452 555 Y N 4.287 124.665 120.300 0.129 0.000 2.326 555 Y HA 0.499 5.049 4.550 -0.001 0.000 0.337 555 Y C -1.503 174.327 175.900 -0.118 0.000 1.023 555 Y CA -2.188 55.934 58.100 0.036 0.000 1.143 555 Y CB 0.565 39.012 38.460 -0.022 0.000 1.183 555 Y HN 0.451 nan 8.280 nan 0.000 0.485 556 F N 9.052 128.749 119.950 -0.422 0.000 2.307 556 F HA 0.346 4.873 4.527 -0.001 0.000 0.369 556 F C -1.566 173.669 175.800 -0.942 0.000 1.076 556 F CA -1.926 55.675 58.000 -0.664 0.000 1.149 556 F CB 1.198 39.677 39.000 -0.868 0.000 1.410 556 F HN 0.448 nan 8.300 nan 0.000 0.481 557 P HA -0.145 nan 4.420 nan 0.000 0.217 557 P C 0.142 177.266 177.300 -0.294 0.000 1.151 557 P CA 1.347 63.940 63.100 -0.846 0.000 0.828 557 P CB 0.489 31.770 31.700 -0.698 0.000 0.788 558 D N -0.985 119.298 120.400 -0.195 0.000 2.405 558 D HA 0.370 5.010 4.640 -0.001 0.000 0.264 558 D C 0.672 176.990 176.300 0.031 0.000 1.240 558 D CA -0.670 53.321 54.000 -0.014 0.000 0.893 558 D CB 0.525 41.335 40.800 0.016 0.000 1.198 558 D HN -0.145 nan 8.370 nan 0.000 0.514 559 A N 2.268 125.081 122.820 -0.012 0.000 2.168 559 A HA 0.020 4.339 4.320 -0.001 0.000 0.215 559 A C 1.250 178.882 177.584 0.081 0.000 1.152 559 A CA 0.642 52.624 52.037 -0.091 0.000 0.716 559 A CB -0.387 18.282 19.000 -0.553 0.000 0.794 559 A HN 0.463 nan 8.150 nan 0.000 0.465 560 F N -0.346 119.742 119.950 0.229 0.000 2.188 560 F HA 0.057 4.584 4.527 -0.001 0.000 0.289 560 F C 2.125 178.027 175.800 0.170 0.000 1.082 560 F CA 1.577 59.791 58.000 0.357 0.000 1.282 560 F CB -0.447 38.766 39.000 0.354 0.000 1.060 560 F HN 0.193 nan 8.300 nan 0.000 0.493 561 N N -1.163 117.704 118.700 0.278 0.000 2.333 561 N HA -0.020 4.720 4.740 -0.001 0.000 0.178 561 N C -0.114 175.428 175.510 0.054 0.000 1.018 561 N CA 0.925 54.050 53.050 0.124 0.000 0.882 561 N CB 0.117 38.667 38.487 0.105 0.000 0.984 561 N HN -0.058 nan 8.380 nan 0.000 0.434 562 S N 0.645 116.383 115.700 0.064 0.000 2.128 562 S HA 0.204 4.674 4.470 -0.001 0.000 0.157 562 S C -2.155 172.488 174.600 0.071 0.000 1.650 562 S CA -0.907 57.313 58.200 0.032 0.000 1.269 562 S CB 1.249 64.447 63.200 -0.004 0.000 1.227 562 S HN 0.166 nan 8.310 nan 0.000 0.405 563 P HA -0.090 nan 4.420 nan 0.000 0.222 563 P C 1.362 178.836 177.300 0.290 0.000 1.147 563 P CA 0.930 64.142 63.100 0.186 0.000 0.790 563 P CB -0.047 31.747 31.700 0.158 0.000 0.780 564 S N -1.945 113.860 115.700 0.175 0.000 2.527 564 S HA -0.028 4.442 4.470 -0.001 0.000 0.222 564 S C 1.001 175.640 174.600 0.065 0.000 0.985 564 S CA -0.319 57.985 58.200 0.173 0.000 0.921 564 S CB -0.991 62.250 63.200 0.068 0.000 0.772 564 S HN 0.131 nan 8.310 nan 0.000 0.529 565 N N 1.050 119.742 118.700 -0.014 0.000 2.437 565 N HA 0.307 5.047 4.740 -0.001 0.000 0.243 565 N C -1.334 173.949 175.510 -0.378 0.000 1.041 565 N CA -0.520 52.388 53.050 -0.237 0.000 0.940 565 N CB 0.542 38.922 38.487 -0.178 0.000 1.133 565 N HN 0.529 nan 8.380 nan 0.000 0.506 566 Y N 0.694 120.671 120.300 -0.537 0.000 2.605 566 Y HA 0.700 5.250 4.550 -0.001 0.000 0.343 566 Y C -1.072 174.603 175.900 -0.375 0.000 1.036 566 Y CA -1.259 56.353 58.100 -0.814 0.000 1.065 566 Y CB 1.012 38.600 38.460 -1.452 0.000 1.288 566 Y HN 0.021 nan 8.280 nan 0.000 0.481 567 V N 2.501 122.396 119.914 -0.031 0.000 2.638 567 V HA 0.549 4.668 4.120 -0.001 0.000 0.306 567 V C -0.890 175.362 176.094 0.263 0.000 1.052 567 V CA -0.993 61.356 62.300 0.081 0.000 0.885 567 V CB 1.702 33.539 31.823 0.024 0.000 0.999 567 V HN 0.982 nan 8.190 nan 0.000 0.424 568 R N 5.810 126.468 120.500 0.264 0.000 2.340 568 R HA 0.552 4.892 4.340 -0.001 0.000 0.300 568 R C -0.773 175.593 176.300 0.110 0.000 1.069 568 R CA -0.516 55.672 56.100 0.146 0.000 0.984 568 R CB 0.580 30.975 30.300 0.158 0.000 1.003 568 R HN 0.710 nan 8.270 nan 0.000 0.459 569 R N 3.819 124.386 120.500 0.110 0.000 2.575 569 R HA 0.244 4.584 4.340 -0.001 0.000 0.293 569 R C -0.938 175.505 176.300 0.237 0.000 0.983 569 R CA -0.802 55.404 56.100 0.177 0.000 0.887 569 R CB 2.314 32.717 30.300 0.173 0.000 1.184 569 R HN 0.707 nan 8.270 nan 0.000 0.445 570 Q N 1.967 121.911 119.800 0.241 0.000 2.301 570 Q HA 0.515 4.854 4.340 -0.001 0.000 0.267 570 Q C 0.503 176.594 176.000 0.151 0.000 1.035 570 Q CA -0.893 54.998 55.803 0.146 0.000 0.856 570 Q CB 2.686 31.485 28.738 0.101 0.000 1.337 570 Q HN 0.597 nan 8.270 nan 0.000 0.450 571 I N -1.638 118.798 120.570 -0.223 0.000 3.138 571 I HA 0.396 4.565 4.170 -0.001 0.000 0.288 571 I C -2.268 173.693 176.117 -0.261 0.000 1.148 571 I CA -2.280 58.603 61.300 -0.695 0.000 1.315 571 I CB 0.119 37.436 38.000 -1.138 0.000 1.426 571 I HN 0.319 nan 8.210 nan 0.000 0.615 572 P HA 0.027 nan 4.420 nan 0.000 0.268 572 P C 0.548 177.890 177.300 0.069 0.000 1.205 572 P CA -0.059 63.088 63.100 0.078 0.000 0.771 572 P CB 0.862 32.702 31.700 0.234 0.000 0.858 573 S N 2.321 118.048 115.700 0.046 0.000 2.400 573 S HA -0.258 4.212 4.470 -0.001 0.000 0.232 573 S C 1.608 176.186 174.600 -0.036 0.000 1.025 573 S CA 1.471 59.675 58.200 0.008 0.000 0.993 573 S CB -1.043 62.164 63.200 0.011 0.000 0.808 573 S HN 0.687 nan 8.310 nan 0.000 0.478 574 E N -0.046 120.099 120.200 -0.092 0.000 2.333 574 E HA -0.179 4.171 4.350 -0.001 0.000 0.198 574 E C 1.093 177.471 176.600 -0.371 0.000 1.007 574 E CA 0.961 57.205 56.400 -0.260 0.000 0.845 574 E CB -0.433 29.042 29.700 -0.375 0.000 0.766 574 E HN 0.772 nan 8.360 nan 0.000 0.507 575 Y N 0.701 120.988 120.300 -0.022 0.000 2.462 575 Y HA 0.243 4.793 4.550 -0.001 0.000 0.261 575 Y C 1.618 177.485 175.900 -0.054 0.000 1.146 575 Y CA 0.086 58.179 58.100 -0.011 0.000 1.283 575 Y CB 0.513 39.008 38.460 0.058 0.000 1.090 575 Y HN 0.065 nan 8.280 nan 0.000 0.526 576 E N 0.451 120.667 120.200 0.027 0.000 2.112 576 E HA -0.037 4.313 4.350 -0.001 0.000 0.190 576 E C -1.745 174.849 176.600 -0.010 0.000 0.979 576 E CA -0.078 56.315 56.400 -0.012 0.000 0.814 576 E CB -0.939 28.746 29.700 -0.026 0.000 0.762 576 E HN 0.232 nan 8.360 nan 0.000 0.460 577 P HA -0.039 nan 4.420 nan 0.000 0.266 577 P C -0.853 176.438 177.300 -0.015 0.000 1.195 577 P CA 0.647 63.737 63.100 -0.017 0.000 0.768 577 P CB 0.334 32.015 31.700 -0.032 0.000 0.838 578 D N -0.991 119.400 120.400 -0.014 0.000 2.837 578 D HA -0.179 4.461 4.640 -0.001 0.000 0.230 578 D C -0.137 176.148 176.300 -0.025 0.000 1.152 578 D CA 1.338 55.327 54.000 -0.019 0.000 0.736 578 D CB -1.354 39.428 40.800 -0.029 0.000 1.084 578 D HN 0.521 nan 8.370 nan 0.000 0.429 579 A N -0.076 122.722 122.820 -0.038 0.000 2.435 579 A HA 0.816 5.136 4.320 -0.001 0.000 0.304 579 A C 0.152 177.637 177.584 -0.164 0.000 1.064 579 A CA 0.313 52.312 52.037 -0.063 0.000 0.727 579 A CB 2.315 21.302 19.000 -0.021 0.000 1.284 579 A HN 0.434 nan 8.150 nan 0.000 0.415 580 S N 0.246 115.798 115.700 -0.247 0.000 2.672 580 S HA 0.611 5.081 4.470 -0.001 0.000 0.271 580 S C -0.722 173.670 174.600 -0.346 0.000 1.171 580 S CA -0.295 57.560 58.200 -0.576 0.000 0.817 580 S CB 0.370 62.994 63.200 -0.959 0.000 1.150 580 S HN 1.040 nan 8.310 nan 0.000 0.478 581 E N 1.041 121.034 120.200 -0.344 0.000 2.197 581 E HA -0.128 4.222 4.350 -0.001 0.000 0.184 581 E C -2.385 174.122 176.600 -0.155 0.000 1.439 581 E CA 0.609 56.787 56.400 -0.369 0.000 0.688 581 E CB -1.407 27.930 29.700 -0.605 0.000 1.090 581 E HN 0.531 nan 8.360 nan 0.000 0.341 582 P HA 0.039 nan 4.420 nan 0.000 0.275 582 P C -0.107 177.495 177.300 0.503 0.000 1.227 582 P CA -0.304 62.950 63.100 0.256 0.000 0.781 582 P CB 0.919 32.720 31.700 0.168 0.000 0.906 583 C N 4.706 124.311 119.300 0.509 0.000 2.330 583 C HA 0.630 5.089 4.460 -0.001 0.000 0.344 583 C C 0.845 176.187 174.990 0.586 0.000 1.273 583 C CA -0.238 59.108 59.018 0.546 0.000 1.879 583 C CB -0.933 27.173 27.740 0.609 0.000 2.376 583 C HN 0.487 nan 8.230 nan 0.000 0.534 584 I N 1.094 121.926 120.570 0.438 0.000 2.545 584 I HA 0.873 5.043 4.170 -0.001 0.000 0.292 584 I C -0.760 175.546 176.117 0.316 0.000 1.040 584 I CA -0.596 60.983 61.300 0.466 0.000 1.068 584 I CB 1.677 39.911 38.000 0.391 0.000 1.251 584 I HN 0.379 nan 8.210 nan 0.000 0.424 585 K N 3.383 124.039 120.400 0.427 0.000 2.495 585 K HA 0.584 4.904 4.320 -0.001 0.000 0.268 585 K C -2.079 174.788 176.600 0.444 0.000 1.008 585 K CA -0.735 55.713 56.287 0.267 0.000 0.882 585 K CB 2.261 34.797 32.500 0.060 0.000 1.443 585 K HN 0.606 nan 8.250 nan 0.000 0.447 586 Y N 1.384 121.682 120.300 -0.004 0.000 2.346 586 Y HA 0.507 5.056 4.550 -0.001 0.000 0.332 586 Y C -1.914 173.894 175.900 -0.153 0.000 0.985 586 Y CA -0.584 57.544 58.100 0.046 0.000 1.112 586 Y CB 0.980 39.441 38.460 0.001 0.000 1.170 586 Y HN 0.538 nan 8.280 nan 0.000 0.447 587 Y N 3.970 124.244 120.300 -0.043 0.000 2.406 587 Y HA 0.277 4.827 4.550 -0.001 0.000 0.340 587 Y C -0.154 175.615 175.900 -0.218 0.000 0.975 587 Y CA -1.483 56.589 58.100 -0.047 0.000 1.056 587 Y CB 1.620 40.179 38.460 0.165 0.000 1.210 587 Y HN 0.632 nan 8.280 nan 0.000 0.448 588 D N 2.923 123.287 120.400 -0.060 0.000 2.686 588 D HA -0.192 4.448 4.640 -0.001 0.000 0.235 588 D C 1.210 177.394 176.300 -0.192 0.000 1.160 588 D CA 1.917 55.877 54.000 -0.067 0.000 0.645 588 D CB -0.822 40.002 40.800 0.039 0.000 1.039 588 D HN 1.171 nan 8.370 nan 0.000 0.423 589 G N -1.819 106.706 108.800 -0.457 0.000 2.155 589 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.257 589 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.257 589 G C 0.305 175.016 174.900 -0.314 0.000 0.983 589 G CA 0.374 45.277 45.100 -0.329 0.000 0.676 589 G HN 0.602 nan 8.290 nan 0.000 0.528 590 V N 0.763 120.398 119.914 -0.465 0.000 2.487 590 V HA 0.671 4.791 4.120 -0.001 0.000 0.298 590 V C 0.040 175.989 176.094 -0.241 0.000 1.028 590 V CA -0.963 61.137 62.300 -0.333 0.000 0.860 590 V CB 1.754 33.337 31.823 -0.399 0.000 0.991 590 V HN 0.373 nan 8.190 nan 0.000 0.427 591 L N 6.290 127.480 121.223 -0.056 0.000 2.265 591 L HA 0.567 4.907 4.340 -0.001 0.000 0.288 591 L C -1.035 175.899 176.870 0.108 0.000 1.058 591 L CA 0.176 55.137 54.840 0.201 0.000 0.809 591 L CB 0.546 42.709 42.059 0.174 0.000 1.179 591 L HN 0.533 nan 8.230 nan 0.000 0.429 592 Y N 5.355 125.977 120.300 0.536 0.000 2.387 592 Y HA 0.664 5.214 4.550 -0.001 0.000 0.336 592 Y C -0.377 175.915 175.900 0.653 0.000 1.067 592 Y CA -0.544 57.913 58.100 0.593 0.000 1.114 592 Y CB 1.813 40.660 38.460 0.646 0.000 1.208 592 Y HN 0.531 nan 8.280 nan 0.000 0.458 593 L N 4.804 126.421 121.223 0.656 0.000 2.470 593 L HA 0.686 5.026 4.340 -0.001 0.000 0.268 593 L C -1.775 175.312 176.870 0.362 0.000 0.964 593 L CA -0.396 54.740 54.840 0.493 0.000 0.839 593 L CB 1.307 43.526 42.059 0.266 0.000 1.276 593 L HN 0.611 nan 8.230 nan 0.000 0.403 594 I N 3.615 124.409 120.570 0.373 0.000 2.436 594 I HA 0.395 4.565 4.170 -0.001 0.000 0.289 594 I C 0.196 176.475 176.117 0.269 0.000 1.010 594 I CA -0.554 60.918 61.300 0.287 0.000 1.098 594 I CB 2.292 40.443 38.000 0.252 0.000 1.266 594 I HN 0.614 nan 8.210 nan 0.000 0.434 595 T N 2.773 117.451 114.554 0.205 0.000 2.902 595 T HA 0.403 4.753 4.350 -0.001 0.000 0.280 595 T C -0.043 174.709 174.700 0.088 0.000 0.992 595 T CA -0.819 61.355 62.100 0.123 0.000 1.015 595 T CB 2.022 70.942 68.868 0.087 0.000 1.044 595 T HN 0.570 nan 8.240 nan 0.000 0.520 596 R N 0.531 121.042 120.500 0.018 0.000 2.312 596 R HA 0.484 4.824 4.340 -0.001 0.000 0.311 596 R C 0.382 176.665 176.300 -0.027 0.000 1.004 596 R CA -0.487 55.603 56.100 -0.016 0.000 0.902 596 R CB 0.670 30.946 30.300 -0.040 0.000 1.073 596 R HN 0.958 nan 8.270 nan 0.000 0.457 597 G N 1.073 109.855 108.800 -0.030 0.000 2.432 597 G HA2 0.093 4.053 3.960 -0.001 0.000 0.257 597 G HA3 0.093 4.053 3.960 -0.001 0.000 0.257 597 G C 0.937 175.852 174.900 0.025 0.000 1.238 597 G CA -0.305 44.785 45.100 -0.017 0.000 0.838 597 G HN 0.754 nan 8.290 nan 0.000 0.547 598 T N -1.541 113.025 114.554 0.020 0.000 3.044 598 T HA 0.218 4.568 4.350 -0.001 0.000 0.250 598 T C 0.813 175.571 174.700 0.096 0.000 1.081 598 T CA -0.106 62.049 62.100 0.091 0.000 1.040 598 T CB -0.007 68.885 68.868 0.041 0.000 0.962 598 T HN 0.715 nan 8.240 nan 0.000 0.506 599 R N -0.699 119.756 120.500 -0.075 0.000 2.668 599 R HA 0.634 4.973 4.340 -0.001 0.000 0.272 599 R C 0.851 176.797 176.300 -0.590 0.000 1.019 599 R CA -0.848 55.104 56.100 -0.247 0.000 0.894 599 R CB 0.908 31.136 30.300 -0.121 0.000 1.228 599 R HN -0.036 nan 8.270 nan 0.000 0.460 600 G N 0.579 108.744 108.800 -1.059 0.000 2.598 600 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.215 600 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.215 600 G C 0.444 175.044 174.900 -0.499 0.000 1.131 600 G CA 0.700 45.037 45.100 -1.271 0.000 0.785 600 G HN 0.803 nan 8.290 nan 0.000 0.539 601 D N -0.863 119.343 120.400 -0.323 0.000 2.368 601 D HA 0.121 4.761 4.640 -0.001 0.000 0.218 601 D C 0.848 177.068 176.300 -0.134 0.000 1.112 601 D CA -0.237 53.656 54.000 -0.179 0.000 0.834 601 D CB 0.394 41.119 40.800 -0.125 0.000 0.953 601 D HN 0.140 nan 8.370 nan 0.000 0.505 602 R N -0.125 120.285 120.500 -0.151 0.000 2.808 602 R HA 0.356 4.696 4.340 -0.001 0.000 0.272 602 R C -0.743 175.499 176.300 -0.097 0.000 0.995 602 R CA -1.265 54.773 56.100 -0.103 0.000 0.917 602 R CB 1.491 31.741 30.300 -0.083 0.000 1.217 602 R HN -0.060 nan 8.270 nan 0.000 0.471 603 L N 1.650 122.832 121.223 -0.068 0.000 2.615 603 L HA 0.015 4.354 4.340 -0.001 0.000 0.284 603 L C 1.207 178.059 176.870 -0.029 0.000 1.237 603 L CA 1.054 55.867 54.840 -0.045 0.000 0.905 603 L CB -0.132 41.903 42.059 -0.041 0.000 1.149 603 L HN 0.892 nan 8.230 nan 0.000 0.499 604 G N 1.855 110.649 108.800 -0.010 0.000 3.019 604 G HA2 0.323 4.283 3.960 -0.001 0.000 0.152 604 G HA3 0.323 4.283 3.960 -0.001 0.000 0.152 604 G C -0.334 174.605 174.900 0.065 0.000 1.320 604 G CA -0.438 44.658 45.100 -0.005 0.000 1.013 604 G HN 0.543 nan 8.290 nan 0.000 0.593 605 S N 0.105 115.843 115.700 0.062 0.000 2.573 605 S HA 0.355 4.825 4.470 -0.001 0.000 0.297 605 S C 0.430 175.226 174.600 0.327 0.000 1.280 605 S CA 0.440 58.742 58.200 0.170 0.000 1.061 605 S CB 0.211 63.461 63.200 0.082 0.000 0.812 605 S HN 0.982 nan 8.310 nan 0.000 0.500 606 S N 3.274 119.104 115.700 0.217 0.000 2.570 606 S HA 0.708 5.178 4.470 -0.001 0.000 0.286 606 S C -0.925 173.511 174.600 -0.272 0.000 1.099 606 S CA -1.009 57.135 58.200 -0.094 0.000 0.913 606 S CB 1.267 64.406 63.200 -0.102 0.000 1.085 606 S HN 0.615 nan 8.310 nan 0.000 0.480 607 L N 2.689 123.472 121.223 -0.733 0.000 2.329 607 L HA 0.633 4.973 4.340 -0.001 0.000 0.279 607 L C -1.154 175.283 176.870 -0.722 0.000 1.014 607 L CA -0.492 54.018 54.840 -0.550 0.000 0.814 607 L CB 1.255 42.892 42.059 -0.704 0.000 1.257 607 L HN 0.882 nan 8.230 nan 0.000 0.424 608 H N 3.874 123.012 119.070 0.114 0.000 2.851 608 H HA 0.523 5.078 4.556 -0.001 0.000 0.372 608 H C -1.109 174.533 175.328 0.524 0.000 1.158 608 H CA -0.887 55.299 56.048 0.230 0.000 1.159 608 H CB 2.300 31.885 29.762 -0.295 0.000 1.757 608 H HN 0.575 nan 8.280 nan 0.000 0.546 609 R N 0.075 120.907 120.500 0.553 0.000 2.673 609 R HA 0.685 5.024 4.340 -0.001 0.000 0.281 609 R C -1.213 175.126 176.300 0.065 0.000 0.991 609 R CA -0.963 55.224 56.100 0.144 0.000 0.896 609 R CB 2.121 32.149 30.300 -0.453 0.000 1.201 609 R HN 0.439 nan 8.270 nan 0.000 0.457 610 S N 0.672 116.246 115.700 -0.210 0.000 2.547 610 S HA 0.405 4.875 4.470 -0.001 0.000 0.281 610 S C -0.243 174.153 174.600 -0.339 0.000 1.118 610 S CA -0.942 56.987 58.200 -0.451 0.000 0.947 610 S CB 1.343 63.900 63.200 -1.071 0.000 1.053 610 S HN 0.784 nan 8.310 nan 0.000 0.482 611 R N 1.780 122.112 120.500 -0.281 0.000 2.393 611 R HA 0.184 4.524 4.340 -0.001 0.000 0.244 611 R C -0.567 175.636 176.300 -0.162 0.000 0.920 611 R CA 0.224 56.212 56.100 -0.187 0.000 1.076 611 R CB -0.015 30.191 30.300 -0.157 0.000 1.119 611 R HN 0.644 nan 8.270 nan 0.000 0.524 612 D N -0.305 119.950 120.400 -0.241 0.000 2.819 612 D HA 0.089 4.729 4.640 -0.001 0.000 0.326 612 D C 0.226 176.354 176.300 -0.286 0.000 1.408 612 D CA -0.602 53.268 54.000 -0.216 0.000 0.811 612 D CB -0.415 40.274 40.800 -0.186 0.000 1.148 612 D HN 0.096 nan 8.370 nan 0.000 0.457 613 I N 0.288 120.662 120.570 -0.327 0.000 6.697 613 I HA -0.274 3.896 4.170 -0.001 0.000 0.126 613 I C 1.241 177.118 176.117 -0.400 0.000 1.764 613 I CA 0.733 61.790 61.300 -0.406 0.000 2.245 613 I CB -1.758 35.875 38.000 -0.612 0.000 3.404 613 I HN 0.529 nan 8.210 nan 0.000 0.228 614 G N 0.426 108.819 108.800 -0.677 0.000 2.175 614 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.244 614 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.244 614 G C 0.584 175.164 174.900 -0.534 0.000 0.982 614 G CA 0.507 45.099 45.100 -0.847 0.000 0.641 614 G HN 0.586 nan 8.290 nan 0.000 0.527 615 Q N -0.097 119.461 119.800 -0.402 0.000 2.079 615 Q HA 0.113 4.453 4.340 -0.001 0.000 0.200 615 Q C 1.558 177.425 176.000 -0.222 0.000 0.974 615 Q CA 1.628 57.307 55.803 -0.207 0.000 0.840 615 Q CB 0.029 28.684 28.738 -0.137 0.000 0.898 615 Q HN 0.812 nan 8.270 nan 0.000 0.430 616 T N -3.036 111.294 114.554 -0.374 0.000 2.906 616 T HA 0.572 4.921 4.350 -0.001 0.000 0.295 616 T C -1.438 173.020 174.700 -0.403 0.000 1.075 616 T CA -0.892 61.066 62.100 -0.237 0.000 1.005 616 T CB 1.418 70.221 68.868 -0.109 0.000 1.136 616 T HN 0.217 nan 8.240 nan 0.000 0.498 617 W N -0.263 121.034 121.300 -0.004 0.000 3.083 617 W HA 0.641 5.301 4.660 -0.001 0.000 0.333 617 W C -0.421 176.104 176.519 0.009 0.000 1.217 617 W CA -0.762 56.586 57.345 0.005 0.000 1.170 617 W CB 1.918 31.408 29.460 0.050 0.000 1.437 617 W HN 0.830 nan 8.180 nan 0.000 0.557 618 E N 1.290 121.649 120.200 0.266 0.000 2.187 618 E HA 0.652 5.001 4.350 -0.001 0.000 0.268 618 E C -1.015 175.785 176.600 0.333 0.000 0.896 618 E CA -0.315 56.183 56.400 0.163 0.000 0.766 618 E CB 1.629 31.241 29.700 -0.148 0.000 1.142 618 E HN 0.332 nan 8.360 nan 0.000 0.408 619 S N 3.559 119.441 115.700 0.304 0.000 2.568 619 S HA 0.645 5.115 4.470 -0.001 0.000 0.293 619 S C -1.075 173.464 174.600 -0.101 0.000 1.089 619 S CA -0.882 57.310 58.200 -0.014 0.000 0.945 619 S CB 1.370 64.380 63.200 -0.317 0.000 1.077 619 S HN 0.523 nan 8.310 nan 0.000 0.485 620 L N 0.543 121.452 121.223 -0.523 0.000 2.466 620 L HA 0.747 5.087 4.340 -0.001 0.000 0.258 620 L C -1.416 175.112 176.870 -0.570 0.000 0.973 620 L CA -0.850 53.687 54.840 -0.504 0.000 0.826 620 L CB 2.153 43.767 42.059 -0.740 0.000 1.372 620 L HN 0.665 nan 8.230 nan 0.000 0.409 621 R N 1.922 122.239 120.500 -0.306 0.000 2.346 621 R HA 0.585 4.925 4.340 -0.001 0.000 0.311 621 R C -1.094 175.027 176.300 -0.298 0.000 0.983 621 R CA -0.350 55.635 56.100 -0.193 0.000 0.880 621 R CB 1.092 31.399 30.300 0.013 0.000 1.100 621 R HN 0.581 nan 8.270 nan 0.000 0.453 622 F N 5.986 125.873 119.950 -0.106 0.000 2.529 622 F HA 0.198 4.725 4.527 -0.000 0.000 0.365 622 F C -1.222 174.538 175.800 -0.067 0.000 1.102 622 F CA -1.190 56.774 58.000 -0.061 0.000 1.271 622 F CB 0.468 39.498 39.000 0.051 0.000 1.120 622 F HN 0.421 nan 8.300 nan 0.000 0.579 623 P HA -0.023 nan 4.420 nan 0.000 0.269 623 P C -0.620 176.640 177.300 -0.067 0.000 1.215 623 P CA 0.207 63.215 63.100 -0.152 0.000 0.780 623 P CB 0.398 31.932 31.700 -0.276 0.000 0.898 624 H N 0.100 119.189 119.070 0.032 0.000 2.886 624 H HA -0.156 4.400 4.556 -0.001 0.000 0.294 624 H C -0.133 175.152 175.328 -0.071 0.000 1.246 624 H CA 0.755 56.796 56.048 -0.012 0.000 1.142 624 H CB -2.650 27.119 29.762 0.011 0.000 1.358 624 H HN 0.740 nan 8.280 nan 0.000 0.406 625 N N -1.550 117.148 118.700 -0.002 0.000 2.714 625 N HA -0.170 4.570 4.740 -0.001 0.000 0.253 625 N C -0.081 175.372 175.510 -0.095 0.000 1.024 625 N CA 0.360 53.371 53.050 -0.064 0.000 0.726 625 N CB -0.585 37.828 38.487 -0.124 0.000 0.908 625 N HN 0.120 nan 8.380 nan 0.000 0.542 626 V N 1.962 121.760 119.914 -0.194 0.000 2.617 626 V HA 0.012 4.131 4.120 -0.001 0.000 0.304 626 V C 0.884 176.756 176.094 -0.369 0.000 1.040 626 V CA 0.552 62.528 62.300 -0.539 0.000 1.149 626 V CB 0.154 31.592 31.823 -0.642 0.000 0.914 626 V HN 0.460 nan 8.190 nan 0.000 0.487 627 H N 2.666 121.345 119.070 -0.653 0.000 3.017 627 H HA 0.420 4.975 4.556 -0.001 0.000 0.346 627 H C 0.309 175.432 175.328 -0.341 0.000 1.286 627 H CA -0.405 55.373 56.048 -0.450 0.000 1.120 627 H CB 1.001 30.457 29.762 -0.511 0.000 1.860 627 H HN 0.746 nan 8.280 nan 0.000 0.542 628 H N -1.651 117.338 119.070 -0.135 0.000 3.898 628 H HA -0.170 4.385 4.556 -0.001 0.000 0.171 628 H C -0.203 175.083 175.328 -0.070 0.000 0.920 628 H CA 1.389 57.381 56.048 -0.094 0.000 1.238 628 H CB -0.746 28.948 29.762 -0.113 0.000 0.997 628 H HN 0.819 nan 8.280 nan 0.000 0.380 629 T N 1.072 115.617 114.554 -0.015 0.000 2.863 629 T HA 0.425 4.774 4.350 -0.001 0.000 0.285 629 T C 0.380 175.115 174.700 0.057 0.000 1.009 629 T CA 0.014 62.141 62.100 0.046 0.000 0.989 629 T CB 1.439 70.327 68.868 0.035 0.000 1.004 629 T HN 0.331 nan 8.240 nan 0.000 0.455 630 T N 2.476 117.127 114.554 0.161 0.000 2.828 630 T HA 0.543 4.893 4.350 -0.001 0.000 0.290 630 T C 0.260 175.101 174.700 0.235 0.000 1.019 630 T CA -0.768 61.456 62.100 0.207 0.000 1.031 630 T CB 0.372 69.436 68.868 0.326 0.000 1.001 630 T HN 0.506 nan 8.240 nan 0.000 0.531 631 L N 2.121 123.511 121.223 0.278 0.000 2.556 631 L HA 0.338 4.678 4.340 -0.001 0.000 0.243 631 L C -2.261 174.900 176.870 0.485 0.000 1.331 631 L CA -2.088 52.932 54.840 0.300 0.000 0.927 631 L CB 1.104 43.271 42.059 0.180 0.000 1.219 631 L HN 0.510 nan 8.230 nan 0.000 0.490 632 P HA 0.233 nan 4.420 nan 0.000 0.272 632 P C -0.866 176.795 177.300 0.602 0.000 1.223 632 P CA 0.184 63.596 63.100 0.519 0.000 0.784 632 P CB 0.938 32.902 31.700 0.441 0.000 0.923 633 F N -1.550 118.613 119.950 0.355 0.000 2.773 633 F HA 0.806 5.333 4.527 -0.001 0.000 0.314 633 F C -1.891 174.114 175.800 0.342 0.000 1.160 633 F CA -1.324 56.878 58.000 0.336 0.000 0.920 633 F CB 0.737 39.892 39.000 0.259 0.000 1.323 633 F HN 0.515 nan 8.300 nan 0.000 0.457 634 A N 1.338 124.395 122.820 0.395 0.000 2.532 634 A HA 0.761 5.081 4.320 -0.001 0.000 0.290 634 A C -1.733 175.988 177.584 0.228 0.000 1.143 634 A CA -1.097 51.124 52.037 0.306 0.000 0.728 634 A CB 2.063 21.242 19.000 0.300 0.000 1.317 634 A HN 0.897 nan 8.150 nan 0.000 0.414 635 K N 0.981 121.284 120.400 -0.161 0.000 2.265 635 K HA 0.609 4.929 4.320 -0.001 0.000 0.267 635 K C -1.739 174.670 176.600 -0.319 0.000 0.994 635 K CA -0.301 55.713 56.287 -0.456 0.000 0.860 635 K CB 1.255 33.082 32.500 -1.121 0.000 1.099 635 K HN 0.407 nan 8.250 nan 0.000 0.448 636 V N 4.738 124.573 119.914 -0.133 0.000 2.376 636 V HA 0.414 4.533 4.120 -0.001 0.000 0.287 636 V C 0.782 176.837 176.094 -0.064 0.000 1.015 636 V CA 0.102 62.367 62.300 -0.058 0.000 0.834 636 V CB 0.549 32.376 31.823 0.007 0.000 1.001 636 V HN 1.175 nan 8.190 nan 0.000 0.428 637 G N 5.130 113.896 108.800 -0.057 0.000 2.596 637 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.295 637 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.295 637 G C 0.486 175.350 174.900 -0.061 0.000 1.240 637 G CA 0.736 45.809 45.100 -0.044 0.000 0.985 637 G HN 0.628 nan 8.290 nan 0.000 0.555 638 D N 1.666 122.041 120.400 -0.042 0.000 2.347 638 D HA 0.172 4.812 4.640 -0.001 0.000 0.215 638 D C 0.457 176.726 176.300 -0.052 0.000 0.976 638 D CA 0.915 54.895 54.000 -0.034 0.000 0.884 638 D CB -0.061 40.729 40.800 -0.016 0.000 0.915 638 D HN 0.339 nan 8.370 nan 0.000 0.526 639 D N 0.256 120.616 120.400 -0.067 0.000 2.198 639 D HA 0.169 4.809 4.640 -0.001 0.000 0.245 639 D C -0.113 176.136 176.300 -0.086 0.000 1.079 639 D CA -0.571 53.387 54.000 -0.070 0.000 0.854 639 D CB 1.386 42.155 40.800 -0.052 0.000 1.148 639 D HN -0.147 nan 8.370 nan 0.000 0.456 640 L N 2.944 124.109 121.223 -0.097 0.000 2.361 640 L HA 0.294 4.634 4.340 -0.001 0.000 0.278 640 L C 0.062 176.934 176.870 0.003 0.000 1.113 640 L CA 0.041 54.848 54.840 -0.055 0.000 0.849 640 L CB 0.331 42.288 42.059 -0.170 0.000 1.155 640 L HN 0.298 nan 8.230 nan 0.000 0.452 641 I N 5.821 126.463 120.570 0.120 0.000 2.330 641 I HA 0.379 4.549 4.170 -0.001 0.000 0.289 641 I C 0.110 176.350 176.117 0.204 0.000 1.001 641 I CA -0.338 61.031 61.300 0.114 0.000 1.193 641 I CB 0.826 38.918 38.000 0.154 0.000 1.345 641 I HN 0.577 nan 8.210 nan 0.000 0.461 642 M N 4.480 124.109 119.600 0.049 0.000 2.456 642 M HA 0.653 5.132 4.480 -0.001 0.000 0.324 642 M C -1.810 174.470 176.300 -0.033 0.000 1.124 642 M CA -0.432 54.973 55.300 0.174 0.000 0.959 642 M CB 2.316 35.024 32.600 0.180 0.000 1.692 642 M HN 0.186 nan 8.290 nan 0.000 0.444 643 F N 0.456 120.427 119.950 0.035 0.000 2.532 643 F HA 0.887 5.414 4.527 -0.001 0.000 0.321 643 F C 0.424 176.073 175.800 -0.251 0.000 1.089 643 F CA -0.355 57.455 58.000 -0.317 0.000 0.926 643 F CB 2.567 40.829 39.000 -1.229 0.000 1.168 643 F HN 0.859 nan 8.300 nan 0.000 0.459 644 G N 0.355 109.176 108.800 0.035 0.000 2.690 644 G HA2 0.608 4.567 3.960 -0.001 0.000 0.293 644 G HA3 0.608 4.567 3.960 -0.001 0.000 0.293 644 G C -1.827 173.228 174.900 0.258 0.000 1.399 644 G CA -0.858 44.359 45.100 0.195 0.000 0.890 644 G HN 0.535 nan 8.290 nan 0.000 0.485 645 S N 0.080 116.004 115.700 0.373 0.000 2.571 645 S HA 0.426 4.896 4.470 -0.001 0.000 0.284 645 S C -0.211 174.621 174.600 0.386 0.000 1.128 645 S CA -0.865 57.522 58.200 0.312 0.000 0.970 645 S CB 1.703 65.071 63.200 0.279 0.000 1.039 645 S HN 0.888 nan 8.310 nan 0.000 0.485 646 E N 2.604 123.056 120.200 0.421 0.000 2.398 646 E HA 0.204 4.554 4.350 -0.001 0.000 0.263 646 E C 0.311 177.013 176.600 0.169 0.000 1.046 646 E CA -0.630 55.967 56.400 0.327 0.000 0.908 646 E CB 0.582 30.502 29.700 0.365 0.000 0.963 646 E HN 0.322 nan 8.360 nan 0.000 0.431 647 R N 1.173 121.729 120.500 0.094 0.000 2.161 647 R HA 0.179 4.519 4.340 -0.001 0.000 0.213 647 R C 0.286 176.507 176.300 -0.132 0.000 1.055 647 R CA 0.953 57.060 56.100 0.010 0.000 0.996 647 R CB -0.356 29.928 30.300 -0.028 0.000 0.901 647 R HN 0.626 nan 8.270 nan 0.000 0.456 648 A N 0.537 123.264 122.820 -0.154 0.000 2.587 648 A HA 0.366 4.685 4.320 -0.001 0.000 0.293 648 A C -1.059 176.515 177.584 -0.016 0.000 1.087 648 A CA -0.724 51.170 52.037 -0.238 0.000 0.692 648 A CB 1.480 20.110 19.000 -0.615 0.000 1.291 648 A HN 0.105 nan 8.150 nan 0.000 0.407 649 E N 0.502 120.734 120.200 0.053 0.000 2.413 649 E HA 0.164 4.513 4.350 -0.001 0.000 0.263 649 E C -0.047 176.623 176.600 0.117 0.000 1.015 649 E CA 0.732 57.201 56.400 0.115 0.000 0.916 649 E CB -0.104 29.688 29.700 0.154 0.000 0.947 649 E HN 0.662 nan 8.360 nan 0.000 0.440 650 N N 2.599 121.391 118.700 0.153 0.000 2.776 650 N HA -0.196 4.544 4.740 -0.001 0.000 0.250 650 N C -0.225 175.371 175.510 0.144 0.000 1.112 650 N CA 0.763 53.906 53.050 0.154 0.000 0.733 650 N CB -0.513 38.048 38.487 0.124 0.000 1.097 650 N HN 0.604 nan 8.380 nan 0.000 0.558 651 E N -0.883 119.411 120.200 0.155 0.000 2.476 651 E HA -0.013 4.337 4.350 -0.001 0.000 0.199 651 E C 1.172 177.830 176.600 0.096 0.000 1.021 651 E CA -0.220 56.262 56.400 0.137 0.000 0.907 651 E CB 0.114 29.885 29.700 0.118 0.000 0.974 651 E HN 0.459 nan 8.360 nan 0.000 0.489 652 W N 2.418 123.674 121.300 -0.073 0.000 2.418 652 W HA -0.041 4.618 4.660 -0.001 0.000 0.292 652 W C 0.015 176.438 176.519 -0.161 0.000 1.213 652 W CA 0.893 58.102 57.345 -0.226 0.000 1.283 652 W CB 0.291 29.636 29.460 -0.192 0.000 1.119 652 W HN -0.091 nan 8.180 nan 0.000 0.542 653 E N 0.678 120.965 120.200 0.146 0.000 2.390 653 E HA 0.269 4.618 4.350 -0.001 0.000 0.261 653 E C 0.236 176.861 176.600 0.041 0.000 1.076 653 E CA 0.047 56.485 56.400 0.064 0.000 0.905 653 E CB 0.681 30.412 29.700 0.052 0.000 0.984 653 E HN 0.067 nan 8.360 nan 0.000 0.427 654 A N 1.881 124.693 122.820 -0.012 0.000 2.546 654 A HA 0.380 4.700 4.320 -0.001 0.000 0.243 654 A C 1.410 178.959 177.584 -0.059 0.000 1.063 654 A CA 0.645 52.654 52.037 -0.046 0.000 0.757 654 A CB -0.774 18.240 19.000 0.023 0.000 0.991 654 A HN 0.885 nan 8.150 nan 0.000 0.503 655 G N 0.959 109.691 108.800 -0.112 0.000 2.205 655 G HA2 0.095 4.055 3.960 -0.001 0.000 0.261 655 G HA3 0.095 4.055 3.960 -0.001 0.000 0.261 655 G C 0.645 175.515 174.900 -0.051 0.000 0.980 655 G CA 0.551 45.602 45.100 -0.082 0.000 0.632 655 G HN 2.288 nan 8.290 nan 0.000 0.533 656 A N 1.894 124.701 122.820 -0.022 0.000 2.454 656 A HA 0.617 4.937 4.320 -0.001 0.000 0.260 656 A C -0.958 176.645 177.584 0.031 0.000 1.106 656 A CA -0.311 51.743 52.037 0.028 0.000 0.780 656 A CB 0.266 19.313 19.000 0.079 0.000 1.044 656 A HN 0.335 nan 8.150 nan 0.000 0.498 657 P HA 0.181 nan 4.420 nan 0.000 0.275 657 P C -0.828 176.522 177.300 0.084 0.000 1.228 657 P CA -0.459 62.670 63.100 0.047 0.000 0.786 657 P CB 0.598 32.323 31.700 0.041 0.000 0.927 658 D N 1.247 121.711 120.400 0.106 0.000 2.525 658 D HA 0.032 4.672 4.640 -0.001 0.000 0.235 658 D C 0.004 176.344 176.300 0.067 0.000 1.137 658 D CA 1.153 55.215 54.000 0.103 0.000 0.868 658 D CB 0.021 40.880 40.800 0.098 0.000 1.180 658 D HN 0.316 nan 8.370 nan 0.000 0.465 659 D N 1.681 122.100 120.400 0.031 0.000 2.405 659 D HA 0.162 4.802 4.640 -0.001 0.000 0.264 659 D C -0.555 175.754 176.300 0.015 0.000 1.240 659 D CA -0.605 53.425 54.000 0.051 0.000 0.893 659 D CB 0.261 41.098 40.800 0.062 0.000 1.198 659 D HN 0.027 nan 8.370 nan 0.000 0.514 660 R N 1.155 121.687 120.500 0.054 0.000 2.893 660 R HA 0.427 4.767 4.340 -0.001 0.000 0.245 660 R C 0.159 176.615 176.300 0.259 0.000 1.192 660 R CA -0.756 55.361 56.100 0.028 0.000 1.077 660 R CB 0.062 30.235 30.300 -0.212 0.000 1.253 660 R HN 0.487 nan 8.270 nan 0.000 0.505 661 Y N -1.296 119.205 120.300 0.334 0.000 4.490 661 Y HA -0.349 4.201 4.550 -0.001 0.000 0.233 661 Y C 0.099 176.088 175.900 0.147 0.000 1.101 661 Y CA 1.388 59.605 58.100 0.194 0.000 2.010 661 Y CB -1.371 37.161 38.460 0.121 0.000 1.622 661 Y HN 0.533 nan 8.280 nan 0.000 0.675 662 K N -0.557 120.026 120.400 0.306 0.000 2.543 662 K HA 0.879 5.198 4.320 -0.001 0.000 0.255 662 K C -0.561 176.136 176.600 0.161 0.000 0.934 662 K CA -0.539 55.862 56.287 0.190 0.000 0.810 662 K CB 1.950 34.554 32.500 0.173 0.000 1.315 662 K HN 0.138 nan 8.250 nan 0.000 0.433 663 A N 1.806 124.655 122.820 0.049 0.000 2.540 663 A HA 0.424 4.744 4.320 -0.001 0.000 0.239 663 A C 0.046 177.690 177.584 0.100 0.000 1.061 663 A CA 0.636 52.678 52.037 0.007 0.000 0.758 663 A CB -0.321 18.694 19.000 0.026 0.000 0.991 663 A HN 1.010 nan 8.150 nan 0.000 0.502 664 S N 0.878 116.620 115.700 0.069 0.000 2.672 664 S HA 0.628 5.098 4.470 -0.001 0.000 0.271 664 S C -1.262 173.262 174.600 -0.126 0.000 1.171 664 S CA -0.642 57.617 58.200 0.098 0.000 0.817 664 S CB 0.624 63.948 63.200 0.206 0.000 1.150 664 S HN 0.564 nan 8.310 nan 0.000 0.478 665 Y N 1.881 122.238 120.300 0.096 0.000 2.919 665 Y HA 0.440 4.990 4.550 -0.001 0.000 0.341 665 Y C -2.448 173.472 175.900 0.033 0.000 1.045 665 Y CA -2.022 56.103 58.100 0.042 0.000 1.218 665 Y CB 1.105 39.578 38.460 0.023 0.000 1.137 665 Y HN 0.422 nan 8.280 nan 0.000 0.577 666 P HA 0.045 nan 4.420 nan 0.000 0.268 666 P C -0.376 176.940 177.300 0.027 0.000 1.204 666 P CA 0.014 63.163 63.100 0.082 0.000 0.768 666 P CB 0.907 32.650 31.700 0.073 0.000 0.842 667 R N 1.322 121.794 120.500 -0.046 0.000 2.441 667 R HA 0.418 4.758 4.340 -0.001 0.000 0.284 667 R C 0.410 176.441 176.300 -0.450 0.000 1.070 667 R CA -0.090 55.809 56.100 -0.334 0.000 1.047 667 R CB 0.363 30.299 30.300 -0.607 0.000 1.016 667 R HN 0.397 nan 8.270 nan 0.000 0.477 668 T N 3.368 117.614 114.554 -0.513 0.000 2.823 668 T HA 0.518 4.868 4.350 -0.001 0.000 0.279 668 T C -0.859 173.436 174.700 -0.675 0.000 0.998 668 T CA -0.330 61.529 62.100 -0.403 0.000 0.994 668 T CB 0.489 69.246 68.868 -0.185 0.000 0.960 668 T HN 0.239 nan 8.240 nan 0.000 0.448 669 F N 2.117 121.864 119.950 -0.338 0.000 2.593 669 F HA 0.689 5.216 4.527 -0.000 0.000 0.320 669 F C -0.383 175.347 175.800 -0.117 0.000 1.060 669 F CA -1.194 56.617 58.000 -0.314 0.000 0.940 669 F CB 1.535 40.160 39.000 -0.625 0.000 1.268 669 F HN 0.601 nan 8.300 nan 0.000 0.475 670 Y N 0.414 120.677 120.300 -0.061 0.000 2.609 670 Y HA 0.936 5.486 4.550 -0.001 0.000 0.342 670 Y C -1.491 174.293 175.900 -0.193 0.000 1.058 670 Y CA -1.843 56.053 58.100 -0.341 0.000 1.055 670 Y CB 1.371 39.208 38.460 -1.039 0.000 1.292 670 Y HN 0.836 nan 8.280 nan 0.000 0.476 671 A N 2.710 125.152 122.820 -0.629 0.000 2.587 671 A HA 0.858 5.178 4.320 -0.001 0.000 0.293 671 A C -1.483 175.771 177.584 -0.550 0.000 1.087 671 A CA -1.316 50.190 52.037 -0.886 0.000 0.692 671 A CB 1.735 19.932 19.000 -1.339 0.000 1.291 671 A HN 0.837 nan 8.150 nan 0.000 0.407 672 R N -0.026 120.184 120.500 -0.482 0.000 2.514 672 R HA 0.698 5.037 4.340 -0.001 0.000 0.301 672 R C -1.443 174.690 176.300 -0.278 0.000 0.962 672 R CA -0.531 55.411 56.100 -0.265 0.000 0.882 672 R CB 2.064 32.263 30.300 -0.170 0.000 1.143 672 R HN 0.620 nan 8.270 nan 0.000 0.452 673 L N 2.310 123.410 121.223 -0.205 0.000 2.406 673 L HA 0.387 4.726 4.340 -0.001 0.000 0.272 673 L C -0.952 175.847 176.870 -0.119 0.000 0.980 673 L CA -0.727 53.998 54.840 -0.193 0.000 0.831 673 L CB 1.827 43.748 42.059 -0.229 0.000 1.253 673 L HN 0.554 nan 8.230 nan 0.000 0.406 674 N N 3.362 122.008 118.700 -0.090 0.000 2.442 674 N HA 0.044 4.783 4.740 -0.001 0.000 0.265 674 N C 1.059 176.600 175.510 0.052 0.000 1.138 674 N CA 0.121 53.153 53.050 -0.030 0.000 0.956 674 N CB 1.828 40.296 38.487 -0.032 0.000 1.067 674 N HN 0.659 nan 8.380 nan 0.000 0.474 675 V N 1.844 121.822 119.914 0.107 0.000 2.759 675 V HA -0.103 4.017 4.120 -0.001 0.000 0.256 675 V C 1.151 177.394 176.094 0.250 0.000 1.080 675 V CA 1.488 63.962 62.300 0.290 0.000 1.101 675 V CB -0.657 31.333 31.823 0.278 0.000 0.698 675 V HN 0.575 nan 8.190 nan 0.000 0.477 676 N N 1.101 119.877 118.700 0.128 0.000 2.467 676 N HA 0.031 4.771 4.740 -0.001 0.000 0.184 676 N C 1.103 176.670 175.510 0.095 0.000 1.106 676 N CA 0.722 53.825 53.050 0.088 0.000 0.892 676 N CB -0.113 38.400 38.487 0.043 0.000 0.969 676 N HN 0.511 nan 8.380 nan 0.000 0.454 677 N N -0.396 118.368 118.700 0.107 0.000 2.220 677 N HA -0.034 4.705 4.740 -0.001 0.000 0.195 677 N C -0.373 175.210 175.510 0.120 0.000 1.123 677 N CA -0.072 53.023 53.050 0.075 0.000 0.874 677 N CB 0.014 38.504 38.487 0.005 0.000 0.995 677 N HN 0.278 nan 8.380 nan 0.000 0.498 678 W N 2.991 124.253 121.300 -0.063 0.000 7.971 678 W HA -0.256 4.404 4.660 -0.001 0.000 0.418 678 W C -0.421 176.033 176.519 -0.107 0.000 1.641 678 W CA 0.872 58.169 57.345 -0.079 0.000 1.271 678 W CB -1.084 28.346 29.460 -0.049 0.000 2.860 678 W HN 0.114 nan 8.180 nan 0.000 1.718 679 N N 0.632 119.153 118.700 -0.298 0.000 2.371 679 N HA 0.422 5.161 4.740 -0.001 0.000 0.280 679 N C -0.220 175.073 175.510 -0.362 0.000 1.084 679 N CA 0.330 53.194 53.050 -0.309 0.000 0.892 679 N CB 1.653 40.051 38.487 -0.150 0.000 1.653 679 N HN -0.053 nan 8.380 nan 0.000 0.480 680 A N 2.351 124.928 122.820 -0.406 0.000 2.430 680 A HA 0.180 4.499 4.320 -0.001 0.000 0.243 680 A C 0.832 178.299 177.584 -0.196 0.000 1.254 680 A CA -0.026 51.805 52.037 -0.344 0.000 0.914 680 A CB 0.081 18.773 19.000 -0.512 0.000 0.998 680 A HN 0.723 nan 8.150 nan 0.000 0.515 681 D N 1.111 121.408 120.400 -0.171 0.000 2.158 681 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 681 D C 0.209 176.467 176.300 -0.070 0.000 0.995 681 D CA 1.300 55.233 54.000 -0.111 0.000 0.846 681 D CB 0.046 40.789 40.800 -0.095 0.000 0.941 681 D HN 0.391 nan 8.370 nan 0.000 0.456 682 D N -0.102 120.244 120.400 -0.089 0.000 2.559 682 D HA 0.118 4.758 4.640 -0.001 0.000 0.234 682 D C 0.556 176.782 176.300 -0.123 0.000 1.226 682 D CA -0.404 53.556 54.000 -0.068 0.000 0.830 682 D CB 0.358 41.119 40.800 -0.066 0.000 1.028 682 D HN 0.215 nan 8.370 nan 0.000 0.492 683 I N 1.577 122.050 120.570 -0.162 0.000 2.775 683 I HA -0.121 4.048 4.170 -0.001 0.000 0.290 683 I C 0.136 176.042 176.117 -0.351 0.000 1.203 683 I CA 0.505 61.615 61.300 -0.316 0.000 1.433 683 I CB 0.485 38.272 38.000 -0.356 0.000 1.354 683 I HN -0.126 nan 8.210 nan 0.000 0.579 684 E N 7.060 126.942 120.200 -0.530 0.000 2.102 684 E HA 0.159 4.508 4.350 -0.001 0.000 0.263 684 E C -1.674 174.582 176.600 -0.572 0.000 0.894 684 E CA -0.396 55.657 56.400 -0.577 0.000 0.746 684 E CB 0.651 29.766 29.700 -0.975 0.000 1.129 684 E HN 0.507 nan 8.360 nan 0.000 0.416 685 W N 2.759 123.957 121.300 -0.170 0.000 2.358 685 W HA 0.255 4.915 4.660 -0.001 0.000 0.307 685 W C -0.298 176.143 176.519 -0.131 0.000 1.203 685 W CA -0.601 56.584 57.345 -0.266 0.000 1.279 685 W CB 0.891 30.068 29.460 -0.472 0.000 1.264 685 W HN 0.202 nan 8.180 nan 0.000 0.474 686 V N 4.652 124.567 119.914 0.001 0.000 2.328 686 V HA 0.078 4.197 4.120 -0.001 0.000 0.278 686 V C 0.092 176.200 176.094 0.024 0.000 1.021 686 V CA -1.116 61.174 62.300 -0.017 0.000 0.838 686 V CB 0.921 32.639 31.823 -0.174 0.000 0.999 686 V HN 0.417 nan 8.190 nan 0.000 0.447 687 N N 4.544 123.144 118.700 -0.167 0.000 2.427 687 N HA 0.167 4.907 4.740 -0.001 0.000 0.269 687 N C 0.625 176.012 175.510 -0.205 0.000 1.235 687 N CA 0.033 52.773 53.050 -0.516 0.000 0.934 687 N CB 0.593 38.640 38.487 -0.734 0.000 1.121 687 N HN 0.701 nan 8.380 nan 0.000 0.480 688 I N -0.266 120.183 120.570 -0.201 0.000 4.139 688 I HA 0.340 4.509 4.170 -0.001 0.000 0.320 688 I C 0.608 176.669 176.117 -0.093 0.000 1.290 688 I CA -0.251 60.982 61.300 -0.112 0.000 1.253 688 I CB 0.390 38.234 38.000 -0.259 0.000 1.122 688 I HN 0.366 nan 8.210 nan 0.000 0.421 689 T N 0.071 114.545 114.554 -0.135 0.000 2.885 689 T HA 0.389 4.739 4.350 -0.001 0.000 0.322 689 T C -2.060 172.608 174.700 -0.053 0.000 1.387 689 T CA -0.532 61.560 62.100 -0.013 0.000 1.041 689 T CB 1.989 70.933 68.868 0.126 0.000 1.287 689 T HN 0.037 nan 8.240 nan 0.000 0.491 690 D N 2.418 122.817 120.400 -0.001 0.000 2.256 690 D HA 0.673 5.313 4.640 -0.001 0.000 0.246 690 D C -0.275 176.042 176.300 0.029 0.000 1.042 690 D CA -0.234 53.776 54.000 0.015 0.000 0.841 690 D CB 2.041 42.875 40.800 0.057 0.000 1.223 690 D HN 0.356 nan 8.370 nan 0.000 0.470 691 Q N 0.364 120.170 119.800 0.010 0.000 2.427 691 Q HA 0.661 5.001 4.340 -0.001 0.000 0.232 691 Q C -0.466 175.455 176.000 -0.131 0.000 1.018 691 Q CA -0.634 55.102 55.803 -0.113 0.000 0.965 691 Q CB 1.560 30.232 28.738 -0.111 0.000 1.232 691 Q HN 0.409 nan 8.270 nan 0.000 0.510 692 I N 0.700 121.099 120.570 -0.285 0.000 2.474 692 I HA 0.329 4.499 4.170 -0.001 0.000 0.294 692 I C -1.277 174.682 176.117 -0.264 0.000 1.005 692 I CA -1.017 60.007 61.300 -0.459 0.000 1.113 692 I CB 1.477 39.048 38.000 -0.716 0.000 1.289 692 I HN 0.527 nan 8.210 nan 0.000 0.436 693 Y N 5.845 125.951 120.300 -0.323 0.000 2.334 693 Y HA 0.222 4.772 4.550 -0.000 0.000 0.336 693 Y C 1.009 176.793 175.900 -0.194 0.000 0.960 693 Y CA -0.292 57.688 58.100 -0.200 0.000 1.164 693 Y CB 1.282 39.676 38.460 -0.110 0.000 1.155 693 Y HN 0.592 nan 8.280 nan 0.000 0.478 694 Q N 4.482 123.846 119.800 -0.727 0.000 2.079 694 Q HA 0.003 4.342 4.340 -0.001 0.000 0.200 694 Q C 1.469 177.088 176.000 -0.636 0.000 0.974 694 Q CA 2.142 57.609 55.803 -0.560 0.000 0.840 694 Q CB -0.243 28.252 28.738 -0.406 0.000 0.898 694 Q HN 1.282 nan 8.270 nan 0.000 0.430 695 G N -1.603 106.520 108.800 -1.128 0.000 2.195 695 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.246 695 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.246 695 G C 0.868 175.666 174.900 -0.171 0.000 0.984 695 G CA 0.660 45.358 45.100 -0.670 0.000 0.633 695 G HN 0.585 nan 8.290 nan 0.000 0.525 696 G N 0.263 108.965 108.800 -0.163 0.000 2.484 696 G HA2 0.391 4.350 3.960 -0.001 0.000 0.218 696 G HA3 0.391 4.350 3.960 -0.001 0.000 0.218 696 G C 0.881 175.908 174.900 0.212 0.000 1.130 696 G CA 1.295 46.415 45.100 0.035 0.000 0.784 696 G HN 1.541 nan 8.290 nan 0.000 0.543 697 I N -4.528 116.101 120.570 0.099 0.000 3.174 697 I HA 0.547 4.717 4.170 -0.001 0.000 0.313 697 I C 0.998 177.089 176.117 -0.042 0.000 1.155 697 I CA -1.119 60.283 61.300 0.171 0.000 0.977 697 I CB 1.905 39.946 38.000 0.069 0.000 1.248 697 I HN -0.218 nan 8.210 nan 0.000 0.453 698 V N 2.579 122.374 119.914 -0.197 0.000 2.548 698 V HA -0.066 4.054 4.120 -0.001 0.000 0.249 698 V C 1.026 177.034 176.094 -0.144 0.000 1.055 698 V CA 1.414 63.444 62.300 -0.451 0.000 1.065 698 V CB -0.887 30.691 31.823 -0.409 0.000 0.681 698 V HN 0.871 nan 8.190 nan 0.000 0.462 699 N N 0.314 118.945 118.700 -0.114 0.000 2.482 699 N HA 0.254 4.994 4.740 -0.001 0.000 0.260 699 N C -0.494 175.063 175.510 0.079 0.000 1.236 699 N CA 0.457 53.372 53.050 -0.225 0.000 0.938 699 N CB 0.873 38.938 38.487 -0.704 0.000 1.128 699 N HN 0.279 nan 8.380 nan 0.000 0.448 700 S N -0.644 115.129 115.700 0.123 0.000 2.532 700 S HA 0.508 4.978 4.470 -0.001 0.000 0.299 700 S C 0.675 175.488 174.600 0.356 0.000 1.105 700 S CA -0.863 57.515 58.200 0.296 0.000 1.018 700 S CB 1.183 64.467 63.200 0.141 0.000 1.021 700 S HN 0.661 nan 8.310 nan 0.000 0.483 701 G N 2.386 111.335 108.800 0.249 0.000 2.985 701 G HA2 0.189 4.149 3.960 -0.001 0.000 0.209 701 G HA3 0.189 4.149 3.960 -0.001 0.000 0.209 701 G C 0.532 175.397 174.900 -0.059 0.000 1.165 701 G CA 0.443 45.561 45.100 0.030 0.000 0.776 701 G HN 0.917 nan 8.290 nan 0.000 0.541 702 V N 0.191 120.131 119.914 0.044 0.000 2.614 702 V HA 0.633 4.753 4.120 -0.001 0.000 0.291 702 V C 0.948 177.128 176.094 0.143 0.000 1.049 702 V CA 0.894 63.234 62.300 0.066 0.000 1.038 702 V CB 0.588 32.458 31.823 0.077 0.000 0.980 702 V HN 1.265 nan 8.190 nan 0.000 0.481 703 G N 3.734 112.684 108.800 0.250 0.000 2.520 703 G HA2 -0.027 3.933 3.960 -0.001 0.000 0.248 703 G HA3 -0.027 3.933 3.960 -0.001 0.000 0.248 703 G C 0.484 175.544 174.900 0.267 0.000 1.161 703 G CA 0.456 45.767 45.100 0.351 0.000 0.946 703 G HN 2.492 nan 8.290 nan 0.000 0.565 704 V N -2.354 117.737 119.914 0.294 0.000 5.746 704 V HA 0.162 4.282 4.120 -0.001 0.000 0.220 704 V C 1.084 177.376 176.094 0.329 0.000 0.688 704 V CA 1.934 64.425 62.300 0.319 0.000 0.550 704 V CB -1.894 30.122 31.823 0.320 0.000 0.219 704 V HN 2.545 nan 8.190 nan 0.000 0.512 705 G N 0.504 109.540 108.800 0.392 0.000 2.857 705 G HA2 0.776 4.736 3.960 -0.001 0.000 0.217 705 G HA3 0.776 4.736 3.960 -0.001 0.000 0.217 705 G C -0.299 174.832 174.900 0.385 0.000 1.357 705 G CA -0.301 44.992 45.100 0.322 0.000 1.033 705 G HN 1.690 nan 8.290 nan 0.000 0.571 706 S N -2.408 113.503 115.700 0.351 0.000 2.537 706 S HA 0.560 5.030 4.470 -0.001 0.000 0.271 706 S C -1.586 173.215 174.600 0.336 0.000 1.148 706 S CA -0.466 57.925 58.200 0.318 0.000 0.868 706 S CB 1.781 65.121 63.200 0.234 0.000 1.115 706 S HN 0.633 nan 8.310 nan 0.000 0.461 707 V N 3.771 123.867 119.914 0.304 0.000 2.656 707 V HA 0.838 4.957 4.120 -0.001 0.000 0.307 707 V C -0.374 175.874 176.094 0.256 0.000 1.051 707 V CA -0.461 62.014 62.300 0.291 0.000 0.893 707 V CB 1.612 33.635 31.823 0.333 0.000 0.999 707 V HN 0.935 nan 8.190 nan 0.000 0.426 708 V N 2.754 122.837 119.914 0.281 0.000 3.078 708 V HA 0.836 4.956 4.120 -0.001 0.000 0.311 708 V C -0.990 175.319 176.094 0.359 0.000 1.138 708 V CA -0.784 61.681 62.300 0.274 0.000 1.007 708 V CB 2.129 34.067 31.823 0.191 0.000 1.045 708 V HN 0.466 nan 8.190 nan 0.000 0.432 709 V N 2.492 122.597 119.914 0.318 0.000 2.459 709 V HA 0.627 4.747 4.120 -0.001 0.000 0.295 709 V C -0.143 176.131 176.094 0.301 0.000 1.029 709 V CA -0.486 62.017 62.300 0.338 0.000 0.874 709 V CB 1.615 33.596 31.823 0.264 0.000 0.985 709 V HN 1.060 nan 8.190 nan 0.000 0.438 710 K N 3.867 124.497 120.400 0.383 0.000 2.507 710 K HA 0.423 4.742 4.320 -0.001 0.000 0.252 710 K C -0.347 176.423 176.600 0.284 0.000 0.943 710 K CA -0.447 55.998 56.287 0.264 0.000 0.808 710 K CB 1.268 33.862 32.500 0.156 0.000 1.142 710 K HN 0.782 nan 8.250 nan 0.000 0.426 711 D N 1.653 122.162 120.400 0.182 0.000 3.740 711 D HA -0.323 4.317 4.640 -0.001 0.000 0.147 711 D C 0.428 176.801 176.300 0.122 0.000 0.885 711 D CA 1.997 56.085 54.000 0.146 0.000 1.051 711 D CB -0.571 40.322 40.800 0.155 0.000 0.480 711 D HN 0.907 nan 8.370 nan 0.000 0.469 712 N N 0.893 119.637 118.700 0.073 0.000 2.295 712 N HA -0.003 4.737 4.740 -0.001 0.000 0.221 712 N C -0.599 174.697 175.510 -0.357 0.000 1.129 712 N CA 0.158 53.130 53.050 -0.130 0.000 0.836 712 N CB -0.029 38.327 38.487 -0.217 0.000 1.040 712 N HN 0.395 nan 8.380 nan 0.000 0.494 713 Y N 0.271 120.597 120.300 0.043 0.000 2.462 713 Y HA 0.530 5.080 4.550 -0.001 0.000 0.346 713 Y C -0.206 175.670 175.900 -0.040 0.000 0.976 713 Y CA -1.057 56.994 58.100 -0.082 0.000 1.044 713 Y CB 2.050 40.362 38.460 -0.247 0.000 1.230 713 Y HN -0.114 nan 8.280 nan 0.000 0.455 714 I N 2.649 123.241 120.570 0.037 0.000 2.460 714 I HA 0.467 4.637 4.170 -0.001 0.000 0.298 714 I C -1.649 174.423 176.117 -0.075 0.000 0.989 714 I CA -0.760 60.622 61.300 0.137 0.000 1.173 714 I CB 1.007 39.159 38.000 0.253 0.000 1.338 714 I HN 0.559 nan 8.210 nan 0.000 0.456 715 Y N 6.442 126.834 120.300 0.154 0.000 2.361 715 Y HA 0.368 4.917 4.550 -0.001 0.000 0.337 715 Y C -1.141 174.777 175.900 0.031 0.000 0.965 715 Y CA -0.610 57.554 58.100 0.108 0.000 1.091 715 Y CB 1.524 40.065 38.460 0.133 0.000 1.182 715 Y HN 0.402 nan 8.280 nan 0.000 0.450 716 Y N 4.526 124.756 120.300 -0.118 0.000 2.345 716 Y HA 0.650 5.200 4.550 -0.001 0.000 0.331 716 Y C -1.404 174.600 175.900 0.175 0.000 0.959 716 Y CA -2.117 55.828 58.100 -0.258 0.000 1.204 716 Y CB 0.907 38.776 38.460 -0.985 0.000 1.135 716 Y HN 0.658 nan 8.280 nan 0.000 0.477 717 M N 8.784 128.390 119.600 0.010 0.000 2.180 717 M HA 0.530 5.009 4.480 -0.001 0.000 0.350 717 M C -1.274 174.961 176.300 -0.108 0.000 1.125 717 M CA -0.323 54.947 55.300 -0.049 0.000 1.031 717 M CB 0.999 33.568 32.600 -0.052 0.000 1.623 717 M HN 0.556 nan 8.290 nan 0.000 0.451 718 F N -0.417 119.269 119.950 -0.439 0.000 2.741 718 F HA 0.915 5.442 4.527 -0.000 0.000 0.311 718 F C -0.279 175.406 175.800 -0.192 0.000 1.149 718 F CA -1.467 56.299 58.000 -0.390 0.000 0.930 718 F CB 0.712 39.264 39.000 -0.746 0.000 1.312 718 F HN 0.564 nan 8.300 nan 0.000 0.450 719 G N -0.371 108.341 108.800 -0.146 0.000 2.476 719 G HA2 0.586 4.546 3.960 -0.001 0.000 0.286 719 G HA3 0.586 4.546 3.960 -0.001 0.000 0.286 719 G C -0.691 174.082 174.900 -0.211 0.000 1.177 719 G CA -0.455 44.515 45.100 -0.216 0.000 0.870 719 G HN 1.283 nan 8.290 nan 0.000 0.528 720 G N -0.299 108.423 108.800 -0.130 0.000 2.718 720 G HA2 0.610 4.569 3.960 -0.001 0.000 0.295 720 G HA3 0.610 4.569 3.960 -0.001 0.000 0.295 720 G C -0.858 173.979 174.900 -0.104 0.000 1.421 720 G CA -0.617 44.356 45.100 -0.211 0.000 0.902 720 G HN 0.568 nan 8.290 nan 0.000 0.501 721 E N -0.773 119.314 120.200 -0.189 0.000 2.469 721 E HA 0.608 4.957 4.350 -0.001 0.000 0.246 721 E C -0.797 175.640 176.600 -0.272 0.000 0.969 721 E CA -0.708 55.562 56.400 -0.218 0.000 0.881 721 E CB 1.528 31.078 29.700 -0.249 0.000 1.320 721 E HN 0.644 nan 8.360 nan 0.000 0.421 722 D N -1.877 118.326 120.400 -0.328 0.000 2.744 722 D HA 0.168 4.808 4.640 -0.001 0.000 0.304 722 D C 0.171 176.153 176.300 -0.531 0.000 1.179 722 D CA -0.553 53.171 54.000 -0.461 0.000 1.024 722 D CB 0.205 40.777 40.800 -0.380 0.000 1.453 722 D HN 0.325 nan 8.370 nan 0.000 0.529 723 H N -1.020 117.758 119.070 -0.487 0.000 2.547 723 H HA 0.189 4.744 4.556 -0.001 0.000 0.266 723 H C -0.263 174.871 175.328 -0.323 0.000 0.988 723 H CA 0.056 55.866 56.048 -0.397 0.000 1.147 723 H CB -0.291 29.272 29.762 -0.332 0.000 1.365 723 H HN 0.189 nan 8.280 nan 0.000 0.589 724 F N 1.800 121.683 119.950 -0.112 0.000 2.438 724 F HA 0.091 4.618 4.527 -0.001 0.000 0.360 724 F C 1.224 176.790 175.800 -0.390 0.000 1.118 724 F CA -1.045 56.843 58.000 -0.187 0.000 1.164 724 F CB 0.016 38.932 39.000 -0.139 0.000 1.131 724 F HN -0.037 nan 8.300 nan 0.000 0.527 725 N N 6.082 124.493 118.700 -0.481 0.000 2.454 725 N HA 0.016 4.756 4.740 -0.001 0.000 0.260 725 N C -1.509 173.358 175.510 -1.072 0.000 1.218 725 N CA -1.062 51.426 53.050 -0.938 0.000 0.904 725 N CB 1.229 38.682 38.487 -1.723 0.000 1.065 725 N HN 0.226 nan 8.380 nan 0.000 0.462 726 P HA -0.035 nan 4.420 nan 0.000 0.237 726 P C -0.486 176.662 177.300 -0.254 0.000 1.178 726 P CA 0.510 63.364 63.100 -0.410 0.000 0.766 726 P CB -0.169 31.465 31.700 -0.110 0.000 0.876 727 W N -1.508 119.784 121.300 -0.012 0.000 4.849 727 W HA -0.201 4.459 4.660 -0.001 0.000 0.358 727 W C 1.213 177.719 176.519 -0.022 0.000 1.331 727 W CA 0.161 57.507 57.345 0.001 0.000 0.844 727 W CB -3.125 26.331 29.460 -0.007 0.000 2.434 727 W HN -0.067 nan 8.180 nan 0.000 1.458 728 T N -1.180 113.403 114.554 0.049 0.000 2.684 728 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 728 T C 0.509 175.119 174.700 -0.149 0.000 1.036 728 T CA 1.557 63.585 62.100 -0.121 0.000 1.148 728 T CB -0.278 68.388 68.868 -0.336 0.000 0.863 728 T HN 0.188 nan 8.240 nan 0.000 0.436 729 Y N 1.344 121.763 120.300 0.198 0.000 2.595 729 Y HA 0.520 5.070 4.550 -0.001 0.000 0.347 729 Y C 1.032 177.077 175.900 0.241 0.000 1.025 729 Y CA -0.456 57.754 58.100 0.184 0.000 1.295 729 Y CB 0.434 38.993 38.460 0.165 0.000 1.147 729 Y HN 0.365 nan 8.280 nan 0.000 0.515 730 G N 2.004 110.982 108.800 0.297 0.000 2.332 730 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.265 730 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.265 730 G C -0.728 174.250 174.900 0.130 0.000 1.329 730 G CA -0.231 44.997 45.100 0.213 0.000 0.949 730 G HN 0.460 nan 8.290 nan 0.000 0.476 731 D N -0.642 119.798 120.400 0.065 0.000 2.340 731 D HA 0.052 4.692 4.640 -0.001 0.000 0.220 731 D C 0.722 177.067 176.300 0.075 0.000 1.039 731 D CA 0.562 54.580 54.000 0.030 0.000 0.866 731 D CB -0.014 40.754 40.800 -0.054 0.000 0.913 731 D HN 0.418 nan 8.370 nan 0.000 0.523 732 N N 0.242 119.023 118.700 0.136 0.000 2.599 732 N HA 0.022 4.761 4.740 -0.001 0.000 0.309 732 N C 0.796 176.368 175.510 0.102 0.000 1.743 732 N CA 0.103 53.224 53.050 0.119 0.000 0.918 732 N CB 0.487 39.055 38.487 0.136 0.000 1.339 732 N HN 0.101 nan 8.380 nan 0.000 0.493 733 S N -0.697 115.055 115.700 0.087 0.000 2.419 733 S HA -0.145 4.325 4.470 -0.001 0.000 0.235 733 S C 1.897 176.536 174.600 0.065 0.000 1.019 733 S CA 0.971 59.209 58.200 0.063 0.000 0.982 733 S CB -0.106 63.138 63.200 0.073 0.000 0.789 733 S HN 0.383 nan 8.310 nan 0.000 0.490 734 A N 1.394 124.259 122.820 0.076 0.000 2.209 734 A HA 0.199 4.518 4.320 -0.001 0.000 0.212 734 A C 1.144 178.794 177.584 0.110 0.000 1.158 734 A CA 0.717 52.803 52.037 0.082 0.000 0.742 734 A CB -0.671 18.377 19.000 0.080 0.000 0.790 734 A HN 0.591 nan 8.150 nan 0.000 0.472 735 K N -0.374 120.106 120.400 0.133 0.000 3.160 735 K HA -0.171 4.149 4.320 -0.001 0.000 0.280 735 K C -0.541 176.204 176.600 0.242 0.000 1.154 735 K CA 0.732 57.161 56.287 0.236 0.000 0.822 735 K CB -1.567 31.086 32.500 0.255 0.000 1.239 735 K HN 0.619 nan 8.250 nan 0.000 0.489 736 D N 0.818 121.289 120.400 0.118 0.000 2.412 736 D HA 0.023 4.663 4.640 -0.001 0.000 0.257 736 D C -1.352 174.887 176.300 -0.100 0.000 1.217 736 D CA -1.875 52.165 54.000 0.067 0.000 0.897 736 D CB 1.042 41.894 40.800 0.088 0.000 1.132 736 D HN -0.023 nan 8.370 nan 0.000 0.493 737 P HA -0.079 nan 4.420 nan 0.000 0.220 737 P C 0.611 177.434 177.300 -0.796 0.000 1.148 737 P CA 0.882 63.572 63.100 -0.684 0.000 0.803 737 P CB -0.003 30.949 31.700 -1.248 0.000 0.782 738 F N -0.875 119.034 119.950 -0.069 0.000 2.765 738 F HA 0.139 4.665 4.527 -0.001 0.000 0.302 738 F C 1.127 176.910 175.800 -0.027 0.000 1.111 738 F CA 0.026 57.996 58.000 -0.050 0.000 1.359 738 F CB -0.460 38.526 39.000 -0.024 0.000 1.097 738 F HN -0.290 nan 8.300 nan 0.000 0.577 739 K N 0.385 120.802 120.400 0.028 0.000 2.143 739 K HA 0.346 4.665 4.320 -0.001 0.000 0.272 739 K C 0.957 177.562 176.600 0.009 0.000 1.001 739 K CA 0.108 56.416 56.287 0.036 0.000 0.915 739 K CB 1.745 34.272 32.500 0.045 0.000 1.047 739 K HN 0.094 nan 8.250 nan 0.000 0.458 740 S N 1.858 117.577 115.700 0.031 0.000 4.050 740 S HA -0.255 4.215 4.470 -0.001 0.000 0.602 740 S C 0.535 175.106 174.600 -0.048 0.000 2.030 740 S CA 1.821 60.039 58.200 0.030 0.000 4.208 740 S CB -0.870 62.431 63.200 0.168 0.000 0.290 740 S HN 0.825 nan 8.310 nan 0.000 0.615 741 D N 2.790 123.135 120.400 -0.092 0.000 2.328 741 D HA 0.354 4.994 4.640 -0.001 0.000 0.221 741 D C 1.353 177.544 176.300 -0.181 0.000 1.072 741 D CA 1.107 54.992 54.000 -0.191 0.000 0.850 741 D CB -0.289 40.299 40.800 -0.354 0.000 0.922 741 D HN 0.931 nan 8.370 nan 0.000 0.516 742 G N 1.276 109.938 108.800 -0.231 0.000 2.582 742 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.288 742 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.288 742 G C -0.385 174.224 174.900 -0.485 0.000 1.247 742 G CA -0.090 44.764 45.100 -0.410 0.000 0.972 742 G HN 0.484 nan 8.290 nan 0.000 0.557 743 H N 2.096 121.098 119.070 -0.114 0.000 2.467 743 H HA 0.462 5.018 4.556 -0.000 0.000 0.326 743 H C -1.167 174.051 175.328 -0.183 0.000 1.094 743 H CA -1.211 54.763 56.048 -0.124 0.000 1.253 743 H CB 1.985 31.731 29.762 -0.028 0.000 1.439 743 H HN 0.316 nan 8.280 nan 0.000 0.479 744 P HA -0.082 nan 4.420 nan 0.000 0.229 744 P C 0.458 177.621 177.300 -0.227 0.000 1.160 744 P CA 0.445 63.454 63.100 -0.151 0.000 0.777 744 P CB 0.454 32.041 31.700 -0.188 0.000 0.814 745 S N 0.570 116.029 115.700 -0.402 0.000 2.531 745 S HA 0.192 4.661 4.470 -0.001 0.000 0.279 745 S C -0.173 174.252 174.600 -0.292 0.000 1.305 745 S CA -0.079 57.861 58.200 -0.433 0.000 1.058 745 S CB -0.227 62.489 63.200 -0.807 0.000 0.899 745 S HN -0.042 nan 8.310 nan 0.000 0.493 746 D N 2.294 122.547 120.400 -0.245 0.000 2.596 746 D HA 0.365 5.005 4.640 -0.001 0.000 0.262 746 D C -0.773 175.276 176.300 -0.418 0.000 1.210 746 D CA -0.487 53.320 54.000 -0.321 0.000 0.873 746 D CB 1.426 42.024 40.800 -0.338 0.000 1.408 746 D HN 0.424 nan 8.370 nan 0.000 0.441 747 L N 1.219 122.085 121.223 -0.595 0.000 2.357 747 L HA 0.407 4.747 4.340 -0.001 0.000 0.273 747 L C -0.710 175.633 176.870 -0.878 0.000 1.080 747 L CA -0.456 54.007 54.840 -0.628 0.000 0.803 747 L CB 0.461 42.126 42.059 -0.657 0.000 1.174 747 L HN 0.304 nan 8.230 nan 0.000 0.443 748 Y N 0.513 120.381 120.300 -0.720 0.000 2.633 748 Y HA 0.529 5.078 4.550 -0.001 0.000 0.339 748 Y C -0.235 175.345 175.900 -0.533 0.000 1.045 748 Y CA -0.752 56.947 58.100 -0.669 0.000 1.098 748 Y CB 2.038 39.978 38.460 -0.868 0.000 1.296 748 Y HN 0.480 nan 8.280 nan 0.000 0.494 749 C N 2.080 121.354 119.300 -0.044 0.000 2.516 749 C HA 0.504 4.964 4.460 -0.001 0.000 0.338 749 C C -1.556 173.692 174.990 0.429 0.000 1.132 749 C CA -0.828 58.281 59.018 0.151 0.000 1.310 749 C CB -0.724 26.998 27.740 -0.030 0.000 1.898 749 C HN 0.772 nan 8.230 nan 0.000 0.452 750 Y N 4.974 125.509 120.300 0.390 0.000 2.350 750 Y HA 0.468 5.018 4.550 -0.001 0.000 0.340 750 Y C 0.282 176.292 175.900 0.183 0.000 1.006 750 Y CA 0.255 58.545 58.100 0.318 0.000 1.166 750 Y CB 0.531 39.169 38.460 0.296 0.000 1.168 750 Y HN 0.740 nan 8.280 nan 0.000 0.502 751 K N 8.192 128.489 120.400 -0.172 0.000 2.293 751 K HA 0.417 4.736 4.320 -0.001 0.000 0.267 751 K C -1.315 175.138 176.600 -0.246 0.000 1.010 751 K CA -0.681 55.446 56.287 -0.267 0.000 0.875 751 K CB 0.697 33.086 32.500 -0.185 0.000 1.106 751 K HN 0.870 nan 8.250 nan 0.000 0.450 752 M N 4.657 124.233 119.600 -0.041 0.000 2.321 752 M HA 0.280 4.760 4.480 -0.001 0.000 0.315 752 M C -1.153 175.207 176.300 0.100 0.000 1.052 752 M CA -0.740 54.626 55.300 0.109 0.000 0.936 752 M CB 1.505 34.259 32.600 0.256 0.000 1.639 752 M HN 0.526 nan 8.290 nan 0.000 0.433 753 K N 3.452 123.878 120.400 0.043 0.000 2.368 753 K HA 0.214 4.534 4.320 -0.001 0.000 0.282 753 K C -0.205 176.275 176.600 -0.200 0.000 1.035 753 K CA 0.008 56.129 56.287 -0.276 0.000 0.973 753 K CB 0.743 33.098 32.500 -0.241 0.000 0.957 753 K HN 0.784 nan 8.250 nan 0.000 0.474 754 I N 2.347 122.761 120.570 -0.259 0.000 4.327 754 I HA 0.290 4.459 4.170 -0.001 0.000 0.331 754 I C 0.154 176.195 176.117 -0.125 0.000 1.348 754 I CA 0.033 61.257 61.300 -0.126 0.000 1.152 754 I CB 1.210 39.179 38.000 -0.050 0.000 1.151 754 I HN 0.763 nan 8.210 nan 0.000 0.410 755 G N -0.139 108.548 108.800 -0.188 0.000 2.576 755 G HA2 0.502 4.462 3.960 -0.001 0.000 0.290 755 G HA3 0.502 4.462 3.960 -0.001 0.000 0.290 755 G C -3.155 171.651 174.900 -0.158 0.000 1.442 755 G CA -0.882 44.138 45.100 -0.134 0.000 0.792 755 G HN -0.314 nan 8.290 nan 0.000 0.491 756 P HA 0.214 nan 4.420 nan 0.000 0.269 756 P C -1.020 176.235 177.300 -0.075 0.000 1.215 756 P CA -0.046 63.007 63.100 -0.078 0.000 0.780 756 P CB 0.878 32.551 31.700 -0.045 0.000 0.898 757 D N 1.710 122.080 120.400 -0.049 0.000 2.461 757 D HA 0.142 4.782 4.640 -0.001 0.000 0.240 757 D C -0.266 176.041 176.300 0.011 0.000 1.094 757 D CA -0.260 53.736 54.000 -0.006 0.000 0.868 757 D CB -0.076 40.742 40.800 0.029 0.000 1.062 757 D HN 0.192 nan 8.370 nan 0.000 0.530 758 N N 2.230 120.938 118.700 0.014 0.000 2.322 758 N HA 0.121 4.860 4.740 -0.001 0.000 0.216 758 N C 0.126 175.649 175.510 0.022 0.000 1.144 758 N CA -0.017 53.041 53.050 0.014 0.000 0.830 758 N CB 0.695 39.188 38.487 0.009 0.000 1.034 758 N HN 0.081 nan 8.380 nan 0.000 0.484 759 R N -0.122 120.397 120.500 0.032 0.000 2.854 759 R HA 0.463 4.803 4.340 -0.001 0.000 0.271 759 R C -0.537 175.786 176.300 0.038 0.000 0.996 759 R CA -0.913 55.208 56.100 0.035 0.000 0.961 759 R CB 1.902 32.228 30.300 0.044 0.000 1.182 759 R HN -0.081 nan 8.270 nan 0.000 0.479 760 V N 1.229 121.163 119.914 0.034 0.000 3.096 760 V HA -0.035 4.085 4.120 -0.001 0.000 0.306 760 V C 0.720 176.840 176.094 0.044 0.000 1.088 760 V CA 0.304 62.624 62.300 0.035 0.000 1.129 760 V CB 1.631 33.471 31.823 0.029 0.000 1.014 760 V HN 0.790 nan 8.190 nan 0.000 0.486 761 S N 2.423 118.149 115.700 0.044 0.000 2.558 761 S HA 0.043 4.513 4.470 -0.001 0.000 0.293 761 S C 0.936 175.567 174.600 0.051 0.000 1.292 761 S CA -0.104 58.124 58.200 0.047 0.000 1.063 761 S CB 0.049 63.273 63.200 0.041 0.000 0.831 761 S HN 0.628 nan 8.310 nan 0.000 0.499 762 R N 1.960 122.488 120.500 0.047 0.000 2.334 762 R HA 0.278 4.618 4.340 -0.001 0.000 0.216 762 R C -0.406 175.936 176.300 0.070 0.000 0.905 762 R CA -0.080 56.059 56.100 0.066 0.000 1.064 762 R CB -0.016 30.314 30.300 0.049 0.000 1.046 762 R HN 0.536 nan 8.270 nan 0.000 0.508 763 D N 1.027 121.431 120.400 0.007 0.000 2.455 763 D HA 0.064 4.703 4.640 -0.001 0.000 0.241 763 D C -0.207 176.109 176.300 0.028 0.000 1.138 763 D CA 0.613 54.565 54.000 -0.081 0.000 0.877 763 D CB 0.399 41.166 40.800 -0.054 0.000 1.187 763 D HN 0.028 nan 8.370 nan 0.000 0.451 764 F N -1.031 118.951 119.950 0.053 0.000 2.603 764 F HA 0.531 5.058 4.527 -0.001 0.000 0.317 764 F C 0.002 175.850 175.800 0.080 0.000 1.066 764 F CA -1.483 56.547 58.000 0.051 0.000 0.941 764 F CB 1.262 40.284 39.000 0.037 0.000 1.291 764 F HN -0.037 nan 8.300 nan 0.000 0.472 765 R N 1.679 122.365 120.500 0.310 0.000 2.308 765 R HA 0.227 4.567 4.340 -0.001 0.000 0.305 765 R C -1.547 174.997 176.300 0.407 0.000 1.053 765 R CA -0.677 55.586 56.100 0.270 0.000 0.957 765 R CB 0.628 31.020 30.300 0.153 0.000 1.022 765 R HN 0.903 nan 8.270 nan 0.000 0.461 766 Y N 2.863 123.341 120.300 0.296 0.000 2.480 766 Y HA 0.236 4.786 4.550 -0.001 0.000 0.341 766 Y C 0.744 176.717 175.900 0.123 0.000 1.031 766 Y CA 0.533 58.786 58.100 0.255 0.000 1.295 766 Y CB 1.165 39.772 38.460 0.244 0.000 1.162 766 Y HN 0.809 nan 8.280 nan 0.000 0.523 767 G N 4.276 112.951 108.800 -0.207 0.000 3.441 767 G HA2 0.411 4.371 3.960 -0.001 0.000 0.263 767 G HA3 0.411 4.371 3.960 -0.001 0.000 0.263 767 G C -0.034 174.726 174.900 -0.234 0.000 1.014 767 G CA 0.265 45.290 45.100 -0.125 0.000 0.833 767 G HN 0.839 nan 8.290 nan 0.000 0.514 768 A N 0.036 122.525 122.820 -0.552 0.000 2.286 768 A HA 0.656 4.975 4.320 -0.001 0.000 0.286 768 A C 0.088 177.585 177.584 -0.146 0.000 1.097 768 A CA -0.301 51.495 52.037 -0.401 0.000 0.821 768 A CB 1.074 19.738 19.000 -0.561 0.000 1.076 768 A HN 0.268 nan 8.150 nan 0.000 0.490 769 V N 2.971 122.854 119.914 -0.052 0.000 2.470 769 V HA 0.167 4.286 4.120 -0.001 0.000 0.276 769 V C -1.984 174.158 176.094 0.080 0.000 1.040 769 V CA -0.773 61.547 62.300 0.033 0.000 1.008 769 V CB 0.518 32.341 31.823 0.001 0.000 0.990 769 V HN 0.733 nan 8.190 nan 0.000 0.477 770 P HA 0.103 nan 4.420 nan 0.000 0.261 770 P C 0.142 177.471 177.300 0.050 0.000 1.203 770 P CA 0.433 63.640 63.100 0.178 0.000 0.767 770 P CB 0.098 31.875 31.700 0.129 0.000 0.785 771 N N 2.586 121.299 118.700 0.021 0.000 2.451 771 N HA 0.089 4.829 4.740 -0.001 0.000 0.271 771 N C 0.709 176.194 175.510 -0.041 0.000 1.410 771 N CA -0.279 52.732 53.050 -0.065 0.000 0.884 771 N CB 0.274 38.673 38.487 -0.147 0.000 1.332 771 N HN 0.065 nan 8.380 nan 0.000 0.498 772 R N 0.122 120.617 120.500 -0.007 0.000 2.123 772 R HA 0.265 4.605 4.340 -0.001 0.000 0.209 772 R C 1.973 178.260 176.300 -0.023 0.000 1.078 772 R CA 0.604 56.701 56.100 -0.004 0.000 1.028 772 R CB -0.851 29.451 30.300 0.003 0.000 0.939 772 R HN 0.148 nan 8.270 nan 0.000 0.463 773 A N 0.936 123.737 122.820 -0.031 0.000 1.855 773 A HA 0.003 4.322 4.320 -0.001 0.000 0.215 773 A C 0.846 178.391 177.584 -0.065 0.000 1.191 773 A CA 1.086 53.091 52.037 -0.052 0.000 0.613 773 A CB 0.033 19.005 19.000 -0.045 0.000 0.829 773 A HN 0.044 nan 8.150 nan 0.000 0.442 774 V N 1.279 121.160 119.914 -0.055 0.000 2.320 774 V HA 0.271 4.391 4.120 -0.001 0.000 0.268 774 V C -2.882 173.169 176.094 -0.073 0.000 1.021 774 V CA -1.582 60.686 62.300 -0.053 0.000 0.813 774 V CB 0.814 32.614 31.823 -0.037 0.000 1.054 774 V HN 0.192 nan 8.190 nan 0.000 0.444 775 P HA 0.198 nan 4.420 nan 0.000 0.270 775 P C -0.467 176.683 177.300 -0.249 0.000 1.242 775 P CA 0.336 63.360 63.100 -0.127 0.000 0.768 775 P CB 0.876 32.636 31.700 0.100 0.000 0.820 776 V N 5.492 125.071 119.914 -0.558 0.000 2.555 776 V HA 0.531 4.651 4.120 -0.001 0.000 0.302 776 V C -0.400 175.141 176.094 -0.922 0.000 1.038 776 V CA -0.358 61.646 62.300 -0.494 0.000 0.887 776 V CB 1.206 32.849 31.823 -0.301 0.000 0.991 776 V HN 0.312 nan 8.190 nan 0.000 0.434 777 F N 3.033 122.951 119.950 -0.053 0.000 2.547 777 F HA 0.572 5.099 4.527 -0.001 0.000 0.316 777 F C -0.359 175.420 175.800 -0.035 0.000 1.121 777 F CA -0.729 57.279 58.000 0.013 0.000 0.911 777 F CB 1.565 40.577 39.000 0.021 0.000 1.179 777 F HN 0.278 nan 8.300 nan 0.000 0.443 778 F N 2.871 122.900 119.950 0.131 0.000 2.502 778 F HA 0.141 4.668 4.527 -0.001 0.000 0.371 778 F C 0.877 176.736 175.800 0.098 0.000 1.083 778 F CA -0.584 57.467 58.000 0.085 0.000 1.174 778 F CB -0.009 39.020 39.000 0.048 0.000 1.096 778 F HN 0.470 nan 8.300 nan 0.000 0.545 779 D N 0.231 120.740 120.400 0.180 0.000 2.393 779 D HA -0.009 4.630 4.640 -0.001 0.000 0.246 779 D C 1.305 177.679 176.300 0.124 0.000 1.275 779 D CA -0.043 54.032 54.000 0.125 0.000 0.979 779 D CB 0.033 40.873 40.800 0.068 0.000 1.101 779 D HN 0.513 nan 8.370 nan 0.000 0.505 780 T N -3.105 111.496 114.554 0.077 0.000 3.051 780 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 780 T C 1.174 175.910 174.700 0.059 0.000 1.127 780 T CA 1.040 63.177 62.100 0.061 0.000 1.107 780 T CB -0.536 68.353 68.868 0.036 0.000 0.898 780 T HN 0.451 nan 8.240 nan 0.000 0.517 781 N N 0.572 119.310 118.700 0.064 0.000 2.270 781 N HA 0.297 5.037 4.740 -0.001 0.000 0.198 781 N C 1.256 176.818 175.510 0.086 0.000 1.117 781 N CA 0.615 53.700 53.050 0.058 0.000 0.845 781 N CB -0.197 38.314 38.487 0.040 0.000 0.980 781 N HN 0.533 nan 8.380 nan 0.000 0.486 782 G N -0.513 108.371 108.800 0.141 0.000 2.136 782 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.242 782 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.242 782 G C -0.414 174.660 174.900 0.291 0.000 0.989 782 G CA 0.418 45.659 45.100 0.235 0.000 0.682 782 G HN 0.189 nan 8.290 nan 0.000 0.522 783 V N 0.521 120.518 119.914 0.137 0.000 2.459 783 V HA 0.484 4.604 4.120 -0.001 0.000 0.295 783 V C 1.063 177.037 176.094 -0.200 0.000 1.029 783 V CA -1.141 61.152 62.300 -0.012 0.000 0.874 783 V CB 1.591 33.409 31.823 -0.008 0.000 0.985 783 V HN 0.392 nan 8.190 nan 0.000 0.438 784 R N 2.395 122.620 120.500 -0.459 0.000 2.486 784 R HA 0.222 4.561 4.340 -0.001 0.000 0.303 784 R C -0.159 176.007 176.300 -0.224 0.000 0.958 784 R CA 0.475 56.246 56.100 -0.548 0.000 1.077 784 R CB 0.016 30.021 30.300 -0.493 0.000 0.921 784 R HN 0.741 nan 8.270 nan 0.000 0.406 785 T N 2.596 117.073 114.554 -0.128 0.000 2.841 785 T HA 0.301 4.651 4.350 -0.001 0.000 0.285 785 T C -0.649 174.098 174.700 0.077 0.000 0.991 785 T CA -0.641 61.460 62.100 0.001 0.000 0.966 785 T CB 1.758 70.658 68.868 0.054 0.000 0.962 785 T HN 0.152 nan 8.240 nan 0.000 0.438 786 V N 6.323 126.275 119.914 0.062 0.000 2.313 786 V HA 0.292 4.412 4.120 -0.001 0.000 0.278 786 V C -1.527 174.627 176.094 0.101 0.000 1.017 786 V CA -1.353 61.002 62.300 0.091 0.000 0.823 786 V CB 1.193 33.051 31.823 0.058 0.000 1.010 786 V HN 0.756 nan 8.190 nan 0.000 0.443 787 P HA 0.226 nan 4.420 nan 0.000 0.245 787 P C 0.516 177.849 177.300 0.055 0.000 1.203 787 P CA 0.179 63.324 63.100 0.075 0.000 0.792 787 P CB 0.417 32.144 31.700 0.045 0.000 0.997 788 A N 2.168 125.027 122.820 0.065 0.000 2.425 788 A HA 0.456 4.776 4.320 -0.001 0.000 0.249 788 A C -1.969 175.627 177.584 0.019 0.000 1.084 788 A CA -1.029 51.026 52.037 0.031 0.000 0.781 788 A CB -0.734 18.279 19.000 0.022 0.000 1.019 788 A HN 0.060 nan 8.150 nan 0.000 0.490 789 P HA 0.376 nan 4.420 nan 0.000 0.271 789 P C -0.705 176.582 177.300 -0.022 0.000 1.216 789 P CA 0.295 63.396 63.100 0.002 0.000 0.776 789 P CB 0.726 32.422 31.700 -0.007 0.000 0.881 790 M N 1.233 120.827 119.600 -0.010 0.000 2.531 790 M HA 0.323 4.803 4.480 -0.001 0.000 0.286 790 M C -0.526 175.735 176.300 -0.066 0.000 1.232 790 M CA -0.665 54.583 55.300 -0.088 0.000 0.877 790 M CB 3.101 35.633 32.600 -0.113 0.000 1.726 790 M HN 0.207 nan 8.290 nan 0.000 0.463 791 E N 1.864 121.949 120.200 -0.192 0.000 2.199 791 E HA 0.475 4.825 4.350 -0.001 0.000 0.265 791 E C -1.714 174.728 176.600 -0.262 0.000 0.882 791 E CA -0.244 56.094 56.400 -0.103 0.000 0.759 791 E CB 2.094 31.754 29.700 -0.067 0.000 1.148 791 E HN 0.418 nan 8.360 nan 0.000 0.412 792 F N 1.184 121.120 119.950 -0.023 0.000 2.375 792 F HA 0.148 4.674 4.527 -0.001 0.000 0.361 792 F C 1.575 177.364 175.800 -0.018 0.000 1.117 792 F CA -0.425 57.555 58.000 -0.034 0.000 1.037 792 F CB 1.536 40.515 39.000 -0.035 0.000 1.192 792 F HN 0.336 nan 8.300 nan 0.000 0.452 793 T N -0.955 113.659 114.554 0.099 0.000 3.014 793 T HA 0.263 4.613 4.350 -0.001 0.000 0.250 793 T C 1.009 175.753 174.700 0.073 0.000 1.060 793 T CA 0.115 62.268 62.100 0.088 0.000 1.040 793 T CB -0.019 68.903 68.868 0.090 0.000 0.971 793 T HN 0.551 nan 8.240 nan 0.000 0.497 794 G N 1.002 109.833 108.800 0.052 0.000 2.537 794 G HA2 0.436 4.396 3.960 -0.001 0.000 0.273 794 G HA3 0.436 4.396 3.960 -0.001 0.000 0.273 794 G C -0.934 173.995 174.900 0.047 0.000 1.189 794 G CA -0.648 44.467 45.100 0.025 0.000 0.881 794 G HN 0.204 nan 8.290 nan 0.000 0.535 795 D N -0.441 119.982 120.400 0.037 0.000 2.450 795 D HA 0.213 4.852 4.640 -0.001 0.000 0.247 795 D C -0.168 176.138 176.300 0.011 0.000 1.162 795 D CA 0.297 54.314 54.000 0.029 0.000 0.879 795 D CB 1.473 42.292 40.800 0.031 0.000 1.163 795 D HN -0.068 nan 8.370 nan 0.000 0.472 796 L N 1.846 123.064 121.223 -0.008 0.000 2.341 796 L HA 0.542 4.882 4.340 -0.001 0.000 0.278 796 L C 0.470 177.310 176.870 -0.049 0.000 1.005 796 L CA -0.547 54.263 54.840 -0.050 0.000 0.818 796 L CB 2.000 43.996 42.059 -0.105 0.000 1.259 796 L HN 0.372 nan 8.230 nan 0.000 0.418 797 G N 5.051 113.819 108.800 -0.054 0.000 2.368 797 G HA2 0.636 4.595 3.960 -0.001 0.000 0.320 797 G HA3 0.636 4.595 3.960 -0.001 0.000 0.320 797 G C -1.087 173.772 174.900 -0.068 0.000 1.158 797 G CA -0.405 44.666 45.100 -0.048 0.000 0.912 797 G HN 0.464 nan 8.290 nan 0.000 0.456 798 L N 2.002 123.184 121.223 -0.069 0.000 2.333 798 L HA 0.700 5.039 4.340 -0.001 0.000 0.269 798 L C 1.159 177.997 176.870 -0.053 0.000 1.010 798 L CA -1.010 53.785 54.840 -0.076 0.000 0.818 798 L CB 2.065 44.068 42.059 -0.093 0.000 1.306 798 L HN 0.648 nan 8.230 nan 0.000 0.430 799 G N -1.030 107.747 108.800 -0.038 0.000 3.137 799 G HA2 0.052 4.012 3.960 -0.001 0.000 0.163 799 G HA3 0.052 4.012 3.960 -0.001 0.000 0.163 799 G C -0.265 174.634 174.900 -0.000 0.000 1.602 799 G CA -0.217 44.878 45.100 -0.008 0.000 1.067 799 G HN 0.630 nan 8.290 nan 0.000 0.568 800 H N -0.094 118.951 119.070 -0.041 0.000 2.848 800 H HA 0.344 4.900 4.556 -0.000 0.000 0.317 800 H C -0.954 174.350 175.328 -0.041 0.000 1.046 800 H CA 0.163 56.187 56.048 -0.039 0.000 1.470 800 H CB 0.612 30.354 29.762 -0.033 0.000 1.483 800 H HN -0.030 nan 8.280 nan 0.000 0.548 801 V N 5.638 125.309 119.914 -0.404 0.000 2.487 801 V HA 0.186 4.306 4.120 -0.001 0.000 0.298 801 V C 0.011 175.968 176.094 -0.228 0.000 1.028 801 V CA -0.708 61.471 62.300 -0.201 0.000 0.860 801 V CB 2.008 33.736 31.823 -0.159 0.000 0.991 801 V HN 0.842 nan 8.190 nan 0.000 0.427 802 T N 5.986 120.518 114.554 -0.037 0.000 2.779 802 T HA 0.560 4.910 4.350 -0.001 0.000 0.280 802 T C -0.314 174.380 174.700 -0.011 0.000 0.987 802 T CA -0.334 61.768 62.100 0.003 0.000 0.966 802 T CB 1.014 69.932 68.868 0.083 0.000 0.933 802 T HN 0.318 nan 8.240 nan 0.000 0.442 803 I N 4.135 124.695 120.570 -0.017 0.000 2.297 803 I HA 0.314 4.484 4.170 -0.001 0.000 0.291 803 I C 0.880 176.998 176.117 0.002 0.000 1.033 803 I CA -0.524 60.770 61.300 -0.010 0.000 1.253 803 I CB 0.380 38.372 38.000 -0.013 0.000 1.396 803 I HN 0.437 nan 8.210 nan 0.000 0.476 804 R N 3.746 124.248 120.500 0.005 0.000 2.560 804 R HA 0.579 4.918 4.340 -0.001 0.000 0.270 804 R C 0.157 176.461 176.300 0.006 0.000 1.074 804 R CA -0.714 55.390 56.100 0.008 0.000 1.140 804 R CB 0.900 31.206 30.300 0.009 0.000 1.073 804 R HN 0.692 nan 8.270 nan 0.000 0.527 805 A N 0.959 123.783 122.820 0.007 0.000 2.546 805 A HA 0.064 4.384 4.320 -0.001 0.000 0.243 805 A C 0.880 178.467 177.584 0.005 0.000 1.063 805 A CA 0.541 52.581 52.037 0.006 0.000 0.757 805 A CB 0.014 19.017 19.000 0.005 0.000 0.991 805 A HN 0.886 nan 8.150 nan 0.000 0.503 806 S N 0.393 116.096 115.700 0.005 0.000 2.560 806 S HA 0.228 4.697 4.470 -0.001 0.000 0.281 806 S C 0.300 174.904 174.600 0.005 0.000 1.075 806 S CA 0.504 58.708 58.200 0.006 0.000 1.295 806 S CB 0.228 63.432 63.200 0.007 0.000 1.156 806 S HN 0.708 nan 8.310 nan 0.000 0.627 807 T N 1.974 116.531 114.554 0.005 0.000 2.886 807 T HA 0.684 5.034 4.350 -0.001 0.000 0.292 807 T C -0.573 174.130 174.700 0.005 0.000 1.012 807 T CA 0.177 62.280 62.100 0.006 0.000 0.982 807 T CB 1.508 70.380 68.868 0.006 0.000 1.018 807 T HN 0.613 nan 8.240 nan 0.000 0.451 808 S N 2.647 118.349 115.700 0.005 0.000 3.727 808 S HA -0.202 4.267 4.470 -0.001 0.000 0.444 808 S C 0.645 175.246 174.600 0.003 0.000 0.867 808 S CA 0.708 58.910 58.200 0.004 0.000 1.324 808 S CB -1.786 61.416 63.200 0.004 0.000 0.890 808 S HN 1.419 nan 8.310 nan 0.000 0.599 809 S N 1.463 117.165 115.700 0.003 0.000 3.581 809 S HA -0.229 4.241 4.470 -0.001 0.000 0.354 809 S C 0.479 175.080 174.600 0.002 0.000 1.059 809 S CA 1.018 59.219 58.200 0.002 0.000 1.060 809 S CB -1.630 61.571 63.200 0.002 0.000 0.908 809 S HN 1.240 nan 8.310 nan 0.000 0.475 810 N N -1.485 117.216 118.700 0.002 0.000 2.708 810 N HA -0.229 4.510 4.740 -0.001 0.000 0.249 810 N C 0.510 176.022 175.510 0.003 0.000 1.097 810 N CA 1.110 54.161 53.050 0.003 0.000 0.710 810 N CB -1.436 37.052 38.487 0.002 0.000 1.032 810 N HN 0.776 nan 8.380 nan 0.000 0.551 811 I N -0.287 120.285 120.570 0.003 0.000 2.617 811 I HA -0.119 4.051 4.170 -0.001 0.000 0.256 811 I C 1.121 177.240 176.117 0.003 0.000 1.167 811 I CA 0.890 62.191 61.300 0.002 0.000 1.469 811 I CB 0.257 38.258 38.000 0.002 0.000 1.098 811 I HN 0.253 nan 8.210 nan 0.000 0.436 812 R N 0.018 120.520 120.500 0.003 0.000 2.795 812 R HA 0.494 4.834 4.340 -0.001 0.000 0.275 812 R C -0.728 175.574 176.300 0.005 0.000 0.981 812 R CA -0.653 55.450 56.100 0.004 0.000 0.917 812 R CB 1.267 31.569 30.300 0.003 0.000 1.202 812 R HN 0.004 nan 8.270 nan 0.000 0.469 813 S N 0.371 116.074 115.700 0.005 0.000 2.586 813 S HA 0.348 4.817 4.470 -0.001 0.000 0.274 813 S C -0.411 174.192 174.600 0.005 0.000 1.281 813 S CA -0.774 57.429 58.200 0.005 0.000 1.035 813 S CB 1.387 64.590 63.200 0.004 0.000 0.962 813 S HN 0.754 nan 8.310 nan 0.000 0.512 814 E N 0.983 121.186 120.200 0.005 0.000 2.291 814 E HA 0.532 4.881 4.350 -0.001 0.000 0.276 814 E C -2.000 174.604 176.600 0.006 0.000 0.896 814 E CA -0.769 55.635 56.400 0.006 0.000 0.774 814 E CB 1.757 31.462 29.700 0.007 0.000 1.227 814 E HN 0.532 nan 8.360 nan 0.000 0.413 815 V N 4.774 124.691 119.914 0.006 0.000 2.487 815 V HA 0.434 4.554 4.120 -0.001 0.000 0.298 815 V C -0.849 175.251 176.094 0.010 0.000 1.028 815 V CA -0.820 61.484 62.300 0.007 0.000 0.860 815 V CB 1.419 33.245 31.823 0.005 0.000 0.991 815 V HN 0.608 nan 8.190 nan 0.000 0.427 816 L N 5.638 126.869 121.223 0.014 0.000 2.322 816 L HA 0.619 4.959 4.340 -0.001 0.000 0.281 816 L C -0.094 176.787 176.870 0.019 0.000 1.014 816 L CA -0.182 54.669 54.840 0.017 0.000 0.815 816 L CB 1.705 43.775 42.059 0.018 0.000 1.247 816 L HN 0.566 nan 8.230 nan 0.000 0.421 817 M N 3.293 122.906 119.600 0.022 0.000 2.180 817 M HA 0.389 4.869 4.480 -0.001 0.000 0.350 817 M C 0.109 176.424 176.300 0.025 0.000 1.125 817 M CA -0.356 54.958 55.300 0.023 0.000 1.031 817 M CB 1.510 34.127 32.600 0.028 0.000 1.623 817 M HN 0.573 nan 8.290 nan 0.000 0.451 818 E N 1.141 121.352 120.200 0.019 0.000 2.961 818 E HA 0.758 5.108 4.350 -0.001 0.000 0.254 818 E C 0.368 176.971 176.600 0.005 0.000 1.192 818 E CA -0.386 56.025 56.400 0.019 0.000 1.069 818 E CB 0.871 30.584 29.700 0.022 0.000 1.338 818 E HN 0.853 nan 8.360 nan 0.000 0.596 819 G N 0.621 109.426 108.800 0.008 0.000 2.760 819 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.246 819 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.246 819 G C 0.491 175.411 174.900 0.034 0.000 1.359 819 G CA 0.257 45.354 45.100 -0.005 0.000 0.861 819 G HN 0.668 nan 8.290 nan 0.000 0.541 820 E N -1.065 119.171 120.200 0.060 0.000 2.077 820 E HA -0.020 4.329 4.350 -0.001 0.000 0.193 820 E C 0.938 177.684 176.600 0.243 0.000 0.989 820 E CA 1.945 58.440 56.400 0.158 0.000 0.800 820 E CB -0.055 29.788 29.700 0.239 0.000 0.746 820 E HN 0.902 nan 8.360 nan 0.000 0.452 821 Y N -2.856 117.476 120.300 0.054 0.000 2.625 821 Y HA 0.669 5.219 4.550 -0.001 0.000 0.338 821 Y C -0.314 175.638 175.900 0.086 0.000 1.123 821 Y CA -1.000 57.140 58.100 0.066 0.000 1.046 821 Y CB 0.929 39.431 38.460 0.071 0.000 1.299 821 Y HN -0.129 nan 8.280 nan 0.000 0.464 822 G N 1.047 109.948 108.800 0.167 0.000 2.417 822 G HA2 0.569 4.529 3.960 -0.001 0.000 0.334 822 G HA3 0.569 4.529 3.960 -0.001 0.000 0.334 822 G C -2.404 172.647 174.900 0.251 0.000 1.150 822 G CA -0.851 44.304 45.100 0.091 0.000 0.923 822 G HN 0.785 nan 8.290 nan 0.000 0.485 823 F N 1.686 121.654 119.950 0.030 0.000 2.539 823 F HA 0.669 5.195 4.527 -0.001 0.000 0.318 823 F C -0.780 175.060 175.800 0.068 0.000 1.135 823 F CA -1.097 56.958 58.000 0.092 0.000 0.915 823 F CB 1.577 40.633 39.000 0.094 0.000 1.176 823 F HN 0.237 nan 8.300 nan 0.000 0.440 824 I N 6.215 126.466 120.570 -0.533 0.000 2.411 824 I HA 0.589 4.759 4.170 -0.001 0.000 0.284 824 I C 0.104 175.768 176.117 -0.755 0.000 1.012 824 I CA -0.465 60.574 61.300 -0.434 0.000 1.119 824 I CB 1.322 39.260 38.000 -0.104 0.000 1.261 824 I HN 0.756 nan 8.210 nan 0.000 0.448 825 G N 4.533 112.922 108.800 -0.685 0.000 2.949 825 G HA2 0.666 4.626 3.960 -0.001 0.000 0.285 825 G HA3 0.666 4.626 3.960 -0.001 0.000 0.285 825 G C -1.646 173.179 174.900 -0.126 0.000 1.395 825 G CA -0.531 44.283 45.100 -0.476 0.000 0.901 825 G HN 0.367 nan 8.290 nan 0.000 0.519 826 K N 0.290 120.678 120.400 -0.020 0.000 2.463 826 K HA 0.552 4.872 4.320 -0.001 0.000 0.255 826 K C 0.400 177.019 176.600 0.031 0.000 0.942 826 K CA -0.421 55.854 56.287 -0.021 0.000 0.814 826 K CB 1.413 33.880 32.500 -0.055 0.000 1.122 826 K HN 0.760 nan 8.250 nan 0.000 0.425 827 S N 3.924 119.636 115.700 0.020 0.000 2.589 827 S HA 0.286 4.756 4.470 -0.001 0.000 0.265 827 S C 0.534 175.145 174.600 0.017 0.000 1.342 827 S CA -0.621 57.597 58.200 0.030 0.000 1.005 827 S CB 0.105 63.315 63.200 0.017 0.000 0.909 827 S HN 0.559 nan 8.310 nan 0.000 0.555 828 I N 2.616 123.199 120.570 0.022 0.000 2.517 828 I HA 0.209 4.379 4.170 -0.001 0.000 0.285 828 I C -1.993 174.126 176.117 0.004 0.000 1.106 828 I CA -1.869 59.440 61.300 0.014 0.000 1.402 828 I CB 0.003 38.015 38.000 0.019 0.000 1.399 828 I HN 0.489 nan 8.210 nan 0.000 0.535 829 P HA 0.055 nan 4.420 nan 0.000 0.267 829 P C 0.605 177.902 177.300 -0.005 0.000 1.200 829 P CA -0.026 63.068 63.100 -0.010 0.000 0.772 829 P CB 0.635 32.325 31.700 -0.017 0.000 0.855 830 T N -0.111 114.440 114.554 -0.006 0.000 2.770 830 T HA -0.085 4.264 4.350 -0.001 0.000 0.263 830 T C 1.023 175.721 174.700 -0.003 0.000 1.039 830 T CA 1.419 63.517 62.100 -0.003 0.000 1.142 830 T CB -0.339 68.526 68.868 -0.004 0.000 0.868 830 T HN 0.463 nan 8.240 nan 0.000 0.435 831 D N 0.607 121.004 120.400 -0.006 0.000 2.290 831 D HA 0.032 4.672 4.640 -0.001 0.000 0.224 831 D C 1.090 177.387 176.300 -0.004 0.000 0.967 831 D CA 0.652 54.649 54.000 -0.005 0.000 0.893 831 D CB -0.047 40.749 40.800 -0.007 0.000 1.037 831 D HN 0.318 nan 8.370 nan 0.000 0.477 832 N N 0.937 119.633 118.700 -0.007 0.000 2.918 832 N HA 0.111 4.851 4.740 -0.001 0.000 0.270 832 N C -2.100 173.407 175.510 -0.006 0.000 1.536 832 N CA -1.535 51.511 53.050 -0.006 0.000 0.877 832 N CB 1.611 40.093 38.487 -0.009 0.000 1.190 832 N HN -0.221 nan 8.380 nan 0.000 0.492 833 P HA -0.087 nan 4.420 nan 0.000 0.219 833 P C 1.088 178.393 177.300 0.008 0.000 1.146 833 P CA 0.734 63.836 63.100 0.003 0.000 0.808 833 P CB 0.172 31.877 31.700 0.008 0.000 0.779 834 A N -0.037 122.790 122.820 0.011 0.000 2.178 834 A HA 0.030 4.349 4.320 -0.001 0.000 0.218 834 A C 2.221 179.820 177.584 0.024 0.000 1.157 834 A CA 1.565 53.615 52.037 0.022 0.000 0.689 834 A CB -1.481 17.531 19.000 0.021 0.000 0.787 834 A HN 0.330 nan 8.150 nan 0.000 0.465 835 G N -1.471 107.329 108.800 0.001 0.000 3.088 835 G HA2 0.163 4.123 3.960 -0.001 0.000 0.217 835 G HA3 0.163 4.123 3.960 -0.001 0.000 0.217 835 G C 0.565 175.427 174.900 -0.064 0.000 1.159 835 G CA 0.034 45.120 45.100 -0.025 0.000 0.760 835 G HN 0.574 nan 8.290 nan 0.000 0.550 836 Q N 1.443 121.221 119.800 -0.038 0.000 2.264 836 Q HA 0.156 4.496 4.340 -0.001 0.000 0.296 836 Q C 0.290 176.224 176.000 -0.110 0.000 1.103 836 Q CA 0.383 56.154 55.803 -0.055 0.000 0.967 836 Q CB 0.137 28.868 28.738 -0.012 0.000 1.090 836 Q HN 0.608 nan 8.270 nan 0.000 0.379 837 R N 3.007 123.404 120.500 -0.172 0.000 2.774 837 R HA 0.501 4.841 4.340 -0.001 0.000 0.279 837 R C -1.609 174.534 176.300 -0.261 0.000 1.022 837 R CA -0.888 55.052 56.100 -0.267 0.000 0.855 837 R CB 0.776 30.744 30.300 -0.553 0.000 1.279 837 R HN 0.477 nan 8.270 nan 0.000 0.485 838 I N 1.891 122.282 120.570 -0.298 0.000 2.509 838 I HA 0.436 4.606 4.170 -0.001 0.000 0.293 838 I C -0.332 175.481 176.117 -0.506 0.000 1.020 838 I CA -1.193 59.846 61.300 -0.434 0.000 1.088 838 I CB 2.193 39.860 38.000 -0.556 0.000 1.267 838 I HN 0.425 nan 8.210 nan 0.000 0.430 839 I N 5.679 125.951 120.570 -0.497 0.000 2.336 839 I HA 0.336 4.506 4.170 -0.001 0.000 0.292 839 I C -0.963 174.883 176.117 -0.452 0.000 0.991 839 I CA -0.386 60.703 61.300 -0.351 0.000 1.227 839 I CB 0.974 38.853 38.000 -0.203 0.000 1.366 839 I HN 0.287 nan 8.210 nan 0.000 0.466 840 F N 5.386 125.308 119.950 -0.047 0.000 2.436 840 F HA 0.507 5.034 4.527 -0.000 0.000 0.340 840 F C 0.091 175.882 175.800 -0.016 0.000 1.113 840 F CA -0.608 57.372 58.000 -0.033 0.000 1.022 840 F CB 1.604 40.589 39.000 -0.025 0.000 1.128 840 F HN 0.368 nan 8.300 nan 0.000 0.466 841 C N 2.018 121.405 119.300 0.145 0.000 2.609 841 C HA 0.638 5.097 4.460 -0.001 0.000 0.313 841 C C 1.214 176.244 174.990 0.067 0.000 1.175 841 C CA -0.405 58.662 59.018 0.082 0.000 1.434 841 C CB 0.807 28.567 27.740 0.035 0.000 2.005 841 C HN 1.028 nan 8.230 nan 0.000 0.471 842 G N 2.767 111.599 108.800 0.053 0.000 2.848 842 G HA2 0.436 4.396 3.960 -0.001 0.000 0.208 842 G HA3 0.436 4.396 3.960 -0.001 0.000 0.208 842 G C 0.596 175.509 174.900 0.023 0.000 1.152 842 G CA 0.804 45.925 45.100 0.034 0.000 0.789 842 G HN 1.187 nan 8.290 nan 0.000 0.531 843 G N -0.586 108.228 108.800 0.023 0.000 3.015 843 G HA2 0.471 4.431 3.960 -0.001 0.000 0.281 843 G HA3 0.471 4.431 3.960 -0.001 0.000 0.281 843 G C 0.497 175.406 174.900 0.015 0.000 1.386 843 G CA 0.086 45.196 45.100 0.016 0.000 0.959 843 G HN 0.168 nan 8.290 nan 0.000 0.522 844 E N -1.330 118.877 120.200 0.013 0.000 2.435 844 E HA 0.272 4.621 4.350 -0.001 0.000 0.195 844 E C 0.921 177.530 176.600 0.013 0.000 1.029 844 E CA 0.422 56.831 56.400 0.015 0.000 0.865 844 E CB 0.297 30.006 29.700 0.014 0.000 0.833 844 E HN 0.535 nan 8.360 nan 0.000 0.510 845 G N 0.146 108.951 108.800 0.008 0.000 2.733 845 G HA2 0.275 4.234 3.960 -0.001 0.000 0.288 845 G HA3 0.275 4.234 3.960 -0.001 0.000 0.288 845 G C 0.504 175.402 174.900 -0.004 0.000 1.373 845 G CA -0.007 45.095 45.100 0.003 0.000 0.895 845 G HN 0.037 nan 8.290 nan 0.000 0.479 846 T N -2.381 112.166 114.554 -0.011 0.000 2.995 846 T HA 0.041 4.391 4.350 -0.001 0.000 0.269 846 T C 1.543 176.237 174.700 -0.011 0.000 1.091 846 T CA 1.144 63.231 62.100 -0.021 0.000 1.128 846 T CB -0.119 68.730 68.868 -0.031 0.000 0.891 846 T HN 0.583 nan 8.240 nan 0.000 0.492 847 S N 1.846 117.544 115.700 -0.003 0.000 2.533 847 S HA 0.217 4.686 4.470 -0.001 0.000 0.282 847 S C 1.663 176.270 174.600 0.011 0.000 1.304 847 S CA 0.010 58.213 58.200 0.005 0.000 1.063 847 S CB 0.580 63.783 63.200 0.006 0.000 0.881 847 S HN 0.612 nan 8.310 nan 0.000 0.493 848 S N 3.817 119.528 115.700 0.019 0.000 2.442 848 S HA -0.115 4.355 4.470 -0.001 0.000 0.236 848 S C 1.791 176.405 174.600 0.022 0.000 1.007 848 S CA 1.620 59.837 58.200 0.028 0.000 0.965 848 S CB -0.968 62.257 63.200 0.041 0.000 0.773 848 S HN 0.779 nan 8.310 nan 0.000 0.504 849 T N 2.561 117.125 114.554 0.017 0.000 2.721 849 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 849 T C 2.043 176.749 174.700 0.010 0.000 1.038 849 T CA 2.183 64.290 62.100 0.013 0.000 1.145 849 T CB -0.982 67.892 68.868 0.011 0.000 0.858 849 T HN 0.928 nan 8.240 nan 0.000 0.459 850 T N -1.841 112.719 114.554 0.010 0.000 3.067 850 T HA 0.440 4.790 4.350 -0.001 0.000 0.261 850 T C 0.843 175.549 174.700 0.010 0.000 1.110 850 T CA 0.579 62.685 62.100 0.009 0.000 1.113 850 T CB 0.216 69.089 68.868 0.009 0.000 0.917 850 T HN 0.518 nan 8.240 nan 0.000 0.499 851 G N -0.054 108.755 108.800 0.014 0.000 2.338 851 G HA2 0.529 4.488 3.960 -0.001 0.000 0.295 851 G HA3 0.529 4.488 3.960 -0.001 0.000 0.295 851 G C -1.081 173.833 174.900 0.023 0.000 1.461 851 G CA -0.601 44.508 45.100 0.015 0.000 0.817 851 G HN 0.490 nan 8.290 nan 0.000 0.556 852 A N -0.286 122.548 122.820 0.022 0.000 2.483 852 A HA 0.633 4.953 4.320 -0.001 0.000 0.238 852 A C 0.334 177.960 177.584 0.070 0.000 1.070 852 A CA 0.453 52.512 52.037 0.037 0.000 0.770 852 A CB 0.265 19.276 19.000 0.019 0.000 1.008 852 A HN 0.683 nan 8.150 nan 0.000 0.497 853 Q N 0.349 120.211 119.800 0.103 0.000 2.389 853 Q HA 0.641 4.981 4.340 -0.001 0.000 0.277 853 Q C -1.482 174.615 176.000 0.161 0.000 1.082 853 Q CA -0.431 55.444 55.803 0.120 0.000 0.810 853 Q CB 2.551 31.340 28.738 0.084 0.000 1.374 853 Q HN 0.702 nan 8.270 nan 0.000 0.422 854 I N 1.188 121.866 120.570 0.181 0.000 2.436 854 I HA 0.381 4.551 4.170 -0.001 0.000 0.289 854 I C -0.638 175.576 176.117 0.162 0.000 1.010 854 I CA -0.512 60.876 61.300 0.147 0.000 1.098 854 I CB 2.259 40.347 38.000 0.147 0.000 1.266 854 I HN 0.460 nan 8.210 nan 0.000 0.434 855 T N 7.165 121.759 114.554 0.068 0.000 2.786 855 T HA 0.540 4.890 4.350 -0.001 0.000 0.283 855 T C -0.285 174.470 174.700 0.092 0.000 0.992 855 T CA -0.452 61.667 62.100 0.031 0.000 0.954 855 T CB 0.882 69.757 68.868 0.011 0.000 0.934 855 T HN 0.266 nan 8.240 nan 0.000 0.440 856 L N 4.205 125.465 121.223 0.060 0.000 2.265 856 L HA 0.484 4.824 4.340 -0.001 0.000 0.289 856 L C -0.597 176.327 176.870 0.090 0.000 1.033 856 L CA -0.996 53.920 54.840 0.127 0.000 0.814 856 L CB 0.620 42.768 42.059 0.149 0.000 1.203 856 L HN 0.647 nan 8.230 nan 0.000 0.423 857 Y N 1.160 121.444 120.300 -0.026 0.000 2.299 857 Y HA 0.389 4.939 4.550 -0.001 0.000 0.326 857 Y C 1.269 177.166 175.900 -0.004 0.000 1.164 857 Y CA -0.561 57.527 58.100 -0.021 0.000 1.234 857 Y CB 1.397 39.844 38.460 -0.021 0.000 1.219 857 Y HN 0.639 nan 8.280 nan 0.000 0.497 858 G N 0.394 109.262 108.800 0.114 0.000 2.634 858 G HA2 0.318 4.278 3.960 -0.001 0.000 0.255 858 G HA3 0.318 4.278 3.960 -0.001 0.000 0.255 858 G C 0.704 175.659 174.900 0.092 0.000 1.205 858 G CA -0.108 45.041 45.100 0.081 0.000 0.884 858 G HN 0.865 nan 8.290 nan 0.000 0.549 859 A N 0.321 123.182 122.820 0.070 0.000 2.067 859 A HA -0.037 4.283 4.320 -0.001 0.000 0.219 859 A C 1.996 179.609 177.584 0.048 0.000 1.158 859 A CA 1.459 53.530 52.037 0.056 0.000 0.661 859 A CB -0.291 18.737 19.000 0.046 0.000 0.801 859 A HN 0.659 nan 8.150 nan 0.000 0.452 860 N N 0.146 118.874 118.700 0.047 0.000 2.463 860 N HA -0.019 4.721 4.740 -0.001 0.000 0.181 860 N C 0.625 176.161 175.510 0.044 0.000 1.078 860 N CA -0.079 52.993 53.050 0.037 0.000 0.902 860 N CB -0.027 38.477 38.487 0.028 0.000 0.970 860 N HN 0.408 nan 8.380 nan 0.000 0.451 861 N N 0.619 119.360 118.700 0.068 0.000 2.479 861 N HA -0.014 4.726 4.740 -0.001 0.000 0.257 861 N C 0.714 176.274 175.510 0.083 0.000 1.232 861 N CA 0.467 53.574 53.050 0.096 0.000 0.920 861 N CB 0.803 39.406 38.487 0.193 0.000 1.105 861 N HN -0.002 nan 8.380 nan 0.000 0.444 862 T N 0.943 115.544 114.554 0.078 0.000 2.653 862 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 862 T C -0.065 174.657 174.700 0.037 0.000 1.035 862 T CA 1.270 63.401 62.100 0.052 0.000 1.154 862 T CB -0.160 68.739 68.868 0.051 0.000 0.862 862 T HN 0.528 nan 8.240 nan 0.000 0.441 863 D N 2.306 122.738 120.400 0.052 0.000 2.522 863 D HA 0.222 4.861 4.640 -0.001 0.000 0.218 863 D C -0.368 175.921 176.300 -0.017 0.000 1.149 863 D CA 0.075 54.050 54.000 -0.043 0.000 0.981 863 D CB 0.509 41.185 40.800 -0.207 0.000 1.041 863 D HN 0.111 nan 8.370 nan 0.000 0.518 864 S N 1.762 117.464 115.700 0.003 0.000 2.509 864 S HA -0.030 4.439 4.470 -0.001 0.000 0.287 864 S C 0.973 175.583 174.600 0.016 0.000 1.248 864 S CA -0.043 58.174 58.200 0.030 0.000 1.089 864 S CB -0.022 63.190 63.200 0.019 0.000 0.900 864 S HN 0.473 nan 8.310 nan 0.000 0.496 865 R N 0.749 121.285 120.500 0.060 0.000 3.875 865 R HA -0.180 4.160 4.340 -0.001 0.000 0.321 865 R C 0.268 176.573 176.300 0.008 0.000 1.196 865 R CA 0.856 56.989 56.100 0.054 0.000 0.868 865 R CB -1.672 28.648 30.300 0.033 0.000 1.333 865 R HN 0.741 nan 8.270 nan 0.000 0.522 866 R N 1.485 121.938 120.500 -0.079 0.000 2.643 866 R HA 0.302 4.642 4.340 -0.001 0.000 0.270 866 R C -0.096 176.139 176.300 -0.107 0.000 1.061 866 R CA 0.231 56.183 56.100 -0.247 0.000 1.107 866 R CB 0.489 30.357 30.300 -0.720 0.000 0.999 866 R HN 0.177 nan 8.270 nan 0.000 0.460 867 I N 3.925 124.424 120.570 -0.117 0.000 2.465 867 I HA 0.275 4.445 4.170 -0.001 0.000 0.291 867 I C -0.811 175.176 176.117 -0.217 0.000 1.014 867 I CA -1.096 60.110 61.300 -0.158 0.000 1.093 867 I CB 2.207 40.025 38.000 -0.304 0.000 1.267 867 I HN 0.303 nan 8.210 nan 0.000 0.431 868 V N 6.625 126.454 119.914 -0.141 0.000 2.409 868 V HA 0.357 4.477 4.120 -0.001 0.000 0.291 868 V C -1.004 175.029 176.094 -0.100 0.000 1.020 868 V CA -0.643 61.630 62.300 -0.045 0.000 0.848 868 V CB 1.266 33.154 31.823 0.108 0.000 0.990 868 V HN 0.421 nan 8.190 nan 0.000 0.430 869 Y N 3.216 123.586 120.300 0.116 0.000 2.335 869 Y HA 0.445 4.995 4.550 -0.000 0.000 0.339 869 Y C 0.480 176.548 175.900 0.280 0.000 0.987 869 Y CA -0.367 57.828 58.100 0.160 0.000 1.140 869 Y CB 1.005 39.488 38.460 0.038 0.000 1.173 869 Y HN 0.631 nan 8.280 nan 0.000 0.486 870 N N 2.461 121.410 118.700 0.415 0.000 2.531 870 N HA 0.645 5.385 4.740 -0.001 0.000 0.268 870 N C -0.778 174.840 175.510 0.180 0.000 1.023 870 N CA -0.288 52.940 53.050 0.296 0.000 0.896 870 N CB 0.812 39.404 38.487 0.174 0.000 1.233 870 N HN 0.915 nan 8.380 nan 0.000 0.512 871 G N 1.084 109.894 108.800 0.017 0.000 2.682 871 G HA2 0.148 4.107 3.960 -0.001 0.000 0.290 871 G HA3 0.148 4.107 3.960 -0.001 0.000 0.290 871 G C -0.509 174.254 174.900 -0.229 0.000 1.425 871 G CA -0.383 44.617 45.100 -0.166 0.000 0.807 871 G HN 0.425 nan 8.290 nan 0.000 0.482 872 D N -0.193 120.111 120.400 -0.159 0.000 2.349 872 D HA 0.156 4.796 4.640 -0.001 0.000 0.215 872 D C 0.323 176.541 176.300 -0.136 0.000 1.016 872 D CA 0.884 54.819 54.000 -0.109 0.000 0.870 872 D CB 0.718 41.484 40.800 -0.055 0.000 0.917 872 D HN 0.519 nan 8.370 nan 0.000 0.524 873 E N -0.331 119.733 120.200 -0.226 0.000 2.343 873 E HA 0.266 4.615 4.350 -0.001 0.000 0.278 873 E C -0.837 175.564 176.600 -0.332 0.000 0.910 873 E CA -0.659 55.625 56.400 -0.193 0.000 0.757 873 E CB 2.076 31.714 29.700 -0.102 0.000 1.218 873 E HN 0.037 nan 8.360 nan 0.000 0.435 874 H N 2.556 121.626 119.070 0.000 0.000 2.762 874 H HA 0.353 4.908 4.556 -0.001 0.000 0.310 874 H C -0.844 174.436 175.328 -0.079 0.000 1.004 874 H CA -0.403 55.612 56.048 -0.055 0.000 1.267 874 H CB 0.677 30.474 29.762 0.059 0.000 1.437 874 H HN 0.286 nan 8.280 nan 0.000 0.498 875 L N 4.246 125.396 121.223 -0.120 0.000 2.319 875 L HA 0.338 4.678 4.340 -0.001 0.000 0.281 875 L C -0.548 176.185 176.870 -0.230 0.000 1.005 875 L CA -0.678 54.114 54.840 -0.080 0.000 0.828 875 L CB 0.994 43.017 42.059 -0.060 0.000 1.227 875 L HN 0.335 nan 8.230 nan 0.000 0.415 876 F N 2.337 122.287 119.950 -0.000 0.000 2.350 876 F HA 0.341 4.868 4.527 -0.001 0.000 0.365 876 F C 0.604 176.397 175.800 -0.011 0.000 1.122 876 F CA -0.141 57.851 58.000 -0.012 0.000 1.139 876 F CB 1.144 40.126 39.000 -0.030 0.000 1.220 876 F HN 0.488 nan 8.300 nan 0.000 0.499 877 Q N 1.483 121.334 119.800 0.084 0.000 2.235 877 Q HA 0.383 4.723 4.340 -0.001 0.000 0.256 877 Q C 0.593 176.630 176.000 0.061 0.000 0.951 877 Q CA -0.107 55.727 55.803 0.052 0.000 0.890 877 Q CB 1.402 30.145 28.738 0.007 0.000 1.279 877 Q HN 0.823 nan 8.270 nan 0.000 0.444 878 S N -0.637 115.089 115.700 0.044 0.000 2.769 878 S HA -0.249 4.221 4.470 -0.001 0.000 0.264 878 S C -0.471 174.151 174.600 0.037 0.000 1.288 878 S CA 1.019 59.240 58.200 0.034 0.000 1.378 878 S CB -1.516 61.701 63.200 0.028 0.000 1.702 878 S HN 0.975 nan 8.310 nan 0.000 0.656 879 A N 0.320 123.170 122.820 0.051 0.000 2.605 879 A HA 0.591 4.911 4.320 -0.001 0.000 0.294 879 A C -1.292 176.309 177.584 0.028 0.000 1.062 879 A CA -0.753 51.306 52.037 0.036 0.000 0.682 879 A CB 0.832 19.856 19.000 0.040 0.000 1.278 879 A HN 0.072 nan 8.150 nan 0.000 0.410 880 D N 0.446 120.844 120.400 -0.003 0.000 2.419 880 D HA 0.264 4.904 4.640 -0.001 0.000 0.236 880 D C 0.027 176.283 176.300 -0.074 0.000 1.165 880 D CA 0.360 54.339 54.000 -0.036 0.000 0.882 880 D CB 0.781 41.556 40.800 -0.041 0.000 1.201 880 D HN 0.190 nan 8.370 nan 0.000 0.443 881 V N 2.818 122.642 119.914 -0.150 0.000 2.353 881 V HA 0.153 4.273 4.120 -0.001 0.000 0.264 881 V C 0.530 176.512 176.094 -0.186 0.000 1.049 881 V CA -0.094 62.040 62.300 -0.277 0.000 0.896 881 V CB 0.137 31.664 31.823 -0.492 0.000 1.025 881 V HN 0.306 nan 8.190 nan 0.000 0.475 882 K N 5.413 125.734 120.400 -0.131 0.000 2.395 882 K HA 0.670 4.989 4.320 -0.001 0.000 0.247 882 K C -2.552 174.021 176.600 -0.044 0.000 0.973 882 K CA -1.708 54.532 56.287 -0.079 0.000 0.828 882 K CB 1.961 34.426 32.500 -0.058 0.000 1.272 882 K HN 0.423 nan 8.250 nan 0.000 0.439 883 P HA 0.065 nan 4.420 nan 0.000 0.278 883 P C 0.013 177.352 177.300 0.065 0.000 1.238 883 P CA -0.320 62.800 63.100 0.033 0.000 0.794 883 P CB 0.554 32.270 31.700 0.026 0.000 0.955 884 Y N 2.612 122.906 120.300 -0.009 0.000 2.224 884 Y HA -0.166 4.384 4.550 -0.000 0.000 0.289 884 Y C 0.550 176.448 175.900 -0.003 0.000 1.146 884 Y CA 1.447 59.546 58.100 -0.002 0.000 1.182 884 Y CB 0.098 38.562 38.460 0.007 0.000 0.983 884 Y HN 0.443 nan 8.280 nan 0.000 0.524 885 N N -0.377 118.415 118.700 0.153 0.000 2.471 885 N HA 0.175 4.915 4.740 -0.001 0.000 0.288 885 N C -1.778 173.746 175.510 0.022 0.000 1.220 885 N CA -0.740 52.354 53.050 0.074 0.000 0.893 885 N CB 0.931 39.499 38.487 0.135 0.000 1.256 885 N HN -0.034 nan 8.380 nan 0.000 0.534 886 D N 0.151 120.554 120.400 0.006 0.000 2.274 886 D HA 0.242 4.881 4.640 -0.001 0.000 0.239 886 D C -0.535 175.769 176.300 0.005 0.000 1.104 886 D CA -0.013 53.984 54.000 -0.005 0.000 0.840 886 D CB 0.240 41.030 40.800 -0.016 0.000 1.100 886 D HN 0.497 nan 8.370 nan 0.000 0.477 887 N N 2.841 121.543 118.700 0.004 0.000 2.735 887 N HA -0.177 4.563 4.740 -0.001 0.000 0.248 887 N C -0.340 175.177 175.510 0.013 0.000 1.083 887 N CA 0.879 53.933 53.050 0.006 0.000 0.703 887 N CB -1.026 37.463 38.487 0.002 0.000 1.005 887 N HN 0.269 nan 8.380 nan 0.000 0.550 888 V N -1.715 118.211 119.914 0.020 0.000 3.250 888 V HA 0.222 4.342 4.120 -0.001 0.000 0.240 888 V C 0.987 177.096 176.094 0.025 0.000 1.275 888 V CA 1.517 63.832 62.300 0.025 0.000 1.206 888 V CB 0.758 32.602 31.823 0.035 0.000 0.976 888 V HN 0.605 nan 8.190 nan 0.000 0.467 889 T N -1.278 113.293 114.554 0.028 0.000 2.940 889 T HA 0.869 5.219 4.350 -0.001 0.000 0.288 889 T C -0.401 174.314 174.700 0.025 0.000 1.045 889 T CA -0.084 62.032 62.100 0.028 0.000 1.018 889 T CB 2.399 71.288 68.868 0.035 0.000 1.151 889 T HN 0.348 nan 8.240 nan 0.000 0.529 890 A N 0.780 123.618 122.820 0.029 0.000 2.346 890 A HA 0.814 5.133 4.320 -0.001 0.000 0.313 890 A C -0.809 176.812 177.584 0.061 0.000 1.140 890 A CA -1.124 50.935 52.037 0.037 0.000 0.826 890 A CB 0.987 20.008 19.000 0.034 0.000 1.332 890 A HN 0.875 nan 8.150 nan 0.000 0.457 891 L N 1.719 122.994 121.223 0.087 0.000 2.257 891 L HA 0.566 4.906 4.340 -0.001 0.000 0.290 891 L C 0.953 177.967 176.870 0.240 0.000 1.044 891 L CA 0.660 55.614 54.840 0.190 0.000 0.810 891 L CB 0.657 42.795 42.059 0.131 0.000 1.193 891 L HN 1.359 nan 8.230 nan 0.000 0.425 892 G N 2.656 111.582 108.800 0.209 0.000 2.782 892 G HA2 0.117 4.076 3.960 -0.001 0.000 0.228 892 G HA3 0.117 4.076 3.960 -0.001 0.000 0.228 892 G C -0.286 174.601 174.900 -0.021 0.000 1.372 892 G CA -0.458 44.629 45.100 -0.022 0.000 0.862 892 G HN 1.041 nan 8.290 nan 0.000 0.547 893 G N -2.222 106.542 108.800 -0.060 0.000 2.682 893 G HA2 0.771 4.731 3.960 -0.001 0.000 0.290 893 G HA3 0.771 4.731 3.960 -0.001 0.000 0.290 893 G C -1.911 172.966 174.900 -0.038 0.000 1.425 893 G CA 0.203 45.282 45.100 -0.036 0.000 0.807 893 G HN 0.593 nan 8.290 nan 0.000 0.482 894 P HA 0.038 nan 4.420 nan 0.000 0.220 894 P C 1.416 178.698 177.300 -0.030 0.000 1.148 894 P CA 1.171 64.258 63.100 -0.021 0.000 0.803 894 P CB 0.420 32.111 31.700 -0.015 0.000 0.782 895 S N -1.712 113.964 115.700 -0.040 0.000 2.539 895 S HA 0.160 4.629 4.470 -0.001 0.000 0.221 895 S C 0.233 174.794 174.600 -0.066 0.000 0.987 895 S CA -0.121 58.053 58.200 -0.043 0.000 0.929 895 S CB -0.424 62.754 63.200 -0.036 0.000 0.832 895 S HN 0.175 nan 8.310 nan 0.000 0.492 896 N N 1.795 120.439 118.700 -0.093 0.000 2.726 896 N HA 0.239 4.978 4.740 -0.001 0.000 0.253 896 N C -1.039 174.336 175.510 -0.224 0.000 1.530 896 N CA -0.339 52.616 53.050 -0.158 0.000 0.772 896 N CB 0.873 39.255 38.487 -0.176 0.000 1.220 896 N HN 0.059 nan 8.380 nan 0.000 0.508 897 R N 0.564 120.967 120.500 -0.160 0.000 2.357 897 R HA 0.391 4.730 4.340 -0.001 0.000 0.296 897 R C -0.427 175.781 176.300 -0.153 0.000 1.052 897 R CA -0.489 55.540 56.100 -0.119 0.000 0.988 897 R CB 1.051 31.334 30.300 -0.029 0.000 1.025 897 R HN 0.212 nan 8.270 nan 0.000 0.469 898 F N 0.592 120.549 119.950 0.012 0.000 2.418 898 F HA -0.017 4.510 4.527 -0.001 0.000 0.341 898 F C 2.186 177.997 175.800 0.018 0.000 1.120 898 F CA 0.087 58.100 58.000 0.022 0.000 1.232 898 F CB 1.124 40.136 39.000 0.021 0.000 1.175 898 F HN 0.658 nan 8.300 nan 0.000 0.569 899 T N -1.996 112.696 114.554 0.231 0.000 2.720 899 T HA -0.072 4.277 4.350 -0.001 0.000 0.268 899 T C 0.742 175.493 174.700 0.086 0.000 1.037 899 T CA 1.569 63.746 62.100 0.129 0.000 1.144 899 T CB -0.164 68.779 68.868 0.126 0.000 0.864 899 T HN 0.689 nan 8.240 nan 0.000 0.444 900 T N -0.718 113.890 114.554 0.089 0.000 2.654 900 T HA 0.554 4.904 4.350 -0.001 0.000 0.303 900 T C -2.345 172.325 174.700 -0.051 0.000 1.656 900 T CA -0.304 61.777 62.100 -0.031 0.000 0.971 900 T CB 0.970 69.734 68.868 -0.173 0.000 1.811 900 T HN 0.720 nan 8.240 nan 0.000 0.483 901 A N 1.378 124.112 122.820 -0.144 0.000 2.359 901 A HA 0.741 5.061 4.320 -0.001 0.000 0.303 901 A C -1.848 175.632 177.584 -0.173 0.000 1.066 901 A CA -0.463 51.506 52.037 -0.113 0.000 0.730 901 A CB 0.728 19.668 19.000 -0.100 0.000 1.211 901 A HN 0.684 nan 8.150 nan 0.000 0.439 902 Y N 2.518 122.788 120.300 -0.049 0.000 2.425 902 Y HA 0.545 5.094 4.550 -0.001 0.000 0.347 902 Y C 0.059 175.937 175.900 -0.037 0.000 0.976 902 Y CA 0.074 58.155 58.100 -0.032 0.000 1.190 902 Y CB 0.849 39.296 38.460 -0.022 0.000 1.136 902 Y HN 0.508 nan 8.280 nan 0.000 0.517 903 L N 1.221 122.486 121.223 0.069 0.000 2.354 903 L HA 0.566 4.905 4.340 -0.001 0.000 0.264 903 L C 1.124 178.013 176.870 0.032 0.000 1.008 903 L CA -0.814 54.044 54.840 0.030 0.000 0.819 903 L CB 2.223 44.276 42.059 -0.010 0.000 1.339 903 L HN 0.723 nan 8.230 nan 0.000 0.420 904 G N 0.013 108.825 108.800 0.021 0.000 2.880 904 G HA2 0.140 4.100 3.960 -0.001 0.000 0.209 904 G HA3 0.140 4.100 3.960 -0.001 0.000 0.209 904 G C 0.316 175.219 174.900 0.006 0.000 1.157 904 G CA 0.665 45.775 45.100 0.017 0.000 0.779 904 G HN 0.588 nan 8.290 nan 0.000 0.539 905 S N -0.867 114.832 115.700 -0.001 0.000 2.588 905 S HA 0.421 4.890 4.470 -0.001 0.000 0.269 905 S C -1.010 173.583 174.600 -0.013 0.000 1.157 905 S CA -1.037 57.159 58.200 -0.006 0.000 0.824 905 S CB 1.412 64.608 63.200 -0.007 0.000 1.126 905 S HN -0.030 nan 8.310 nan 0.000 0.464 906 N N 1.937 120.628 118.700 -0.014 0.000 2.374 906 N HA 0.298 5.038 4.740 -0.001 0.000 0.241 906 N C -2.457 173.042 175.510 -0.019 0.000 1.262 906 N CA -0.523 52.516 53.050 -0.018 0.000 0.880 906 N CB -0.480 37.998 38.487 -0.016 0.000 1.105 906 N HN 0.502 nan 8.380 nan 0.000 0.438 907 P HA 0.094 nan 4.420 nan 0.000 0.266 907 P C -0.259 177.030 177.300 -0.018 0.000 1.193 907 P CA 0.316 63.403 63.100 -0.022 0.000 0.770 907 P CB 0.487 32.173 31.700 -0.023 0.000 0.836 908 I N 2.435 122.994 120.570 -0.018 0.000 2.306 908 I HA 0.236 4.406 4.170 -0.001 0.000 0.288 908 I C 0.095 176.203 176.117 -0.015 0.000 1.036 908 I CA -0.662 60.628 61.300 -0.016 0.000 1.221 908 I CB 1.155 39.146 38.000 -0.016 0.000 1.385 908 I HN 0.070 nan 8.210 nan 0.000 0.472 909 V N 5.604 125.510 119.914 -0.013 0.000 2.513 909 V HA 0.715 4.835 4.120 -0.001 0.000 0.299 909 V C -0.334 175.754 176.094 -0.010 0.000 1.035 909 V CA 0.390 62.683 62.300 -0.011 0.000 0.889 909 V CB 1.976 33.793 31.823 -0.010 0.000 0.988 909 V HN 0.749 nan 8.190 nan 0.000 0.440 910 T N 0.000 114.549 114.554 -0.009 0.000 3.816 910 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 910 T CA 0.000 62.095 62.100 -0.008 0.000 1.349 910 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 910 T HN 0.000 nan 8.240 nan 0.000 0.658